*HEADER    PROTEIN TRANSPORT                       28-MAY-08   2K45              
*TITLE     C2A DOMAIN OF SYNAPTOTOTAGMIN I SOLUTION STRUCTURE IN THE             
*TITLE    2 FGF-1-C2A BINARY COMPLEX: KEY COMPONENT IN THE FIBROBLAST            
*TITLE    3 GROWTHFACTOR NON-CLASSICAL PATHWAY                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SYNAPTOTAGMIN-1;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 141-268;                                      
*COMPND   5 SYNONYM: SYNAPTOTAGMIN I, SYTI, P65, C2A;                            
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SYT1, SVP65, SYT;                                              
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX                                      
*KEYWDS    BETA BARREL, CALCIUM, CELL JUNCTION, CYTOPLASMIC VESICLE,             
*KEYWDS   2 GLYCOPROTEIN, LIPOPROTEIN, MEMBRANE, METAL-BINDING,                  
*KEYWDS   3 PALMITATE, PHOSPHOPROTEIN, SYNAPSE, TRANSMEMBRANE, PROTEIN           
*KEYWDS   4 TRANSPORT                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.K.MOHAN, C.YU                                                       
*REVDAT   1   02-JUN-09 2K45    0                                                


 ASSI {   24}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      5.600     4.000     0.400 peak    24 spectrum    1 weight  0.10000E+01 volume  0.36369E-04 ppm1      8.324 ppm2      4.542 CV     1
 ASSI {   25}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.46669E-02 ppm1      8.318 ppm2      4.381 CV     1
 ASSI {   26}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.000     0.500     0.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.10728E-01 ppm1      8.318 ppm2      4.221 CV     1
 ASSI {   29}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HG3 ))
      4.100     2.100     1.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.34116E-03 ppm1      8.319 ppm2      2.161 CV     1
 ASSI {   33}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HD2 ))
      2.600     0.800     0.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.30093E-02 ppm1      8.323 ppm2      1.599 CV     1
 ASSI {   34}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG3 ))
      3.100     1.200     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.29181E-02 ppm1      8.317 ppm2      1.419 CV     1
 ASSI {   35}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.27036E-02 ppm1      8.319 ppm2      1.328 CV     1
 ASSI {   37}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 3    and name HD2%)
      4.800     2.800     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.11265E-03 ppm1      8.319 ppm2      0.754 CV     1
 OR {   37}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI {   41}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      3.200     3.200     2.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10246E-02 ppm1      8.326 ppm2      8.468 CV     1
 ASSI {   48}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.300     3.300     2.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.10836E-02 ppm1      8.322 ppm2      1.709 CV     1
 OR {   48}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 29   and name HG  ))
 ASSI {   50}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      2.200     0.600     0.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.70806E-02 ppm1      8.313 ppm2      1.509 CV     1
 OR {   50}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {   51}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      2.700     2.700     3.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.46293E-02 ppm1      8.322 ppm2      1.371 CV     1
 ASSI {   53}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HD2%)
      2.900     1.000     1.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.24192E-02 ppm1      8.322 ppm2      0.755 CV     1
 OR {   53}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI {   67}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.21617E-02 ppm1      8.744 ppm2      9.113 CV     1
 ASSI {   68}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      5.300     3.400     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.92800E-04 ppm1      8.745 ppm2      8.440 CV     1
 ASSI {   72}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.900     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      8.747 ppm2      5.331 CV     1
 ASSI {   74}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      3.300     1.400     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.28538E-02 ppm1      8.756 ppm2      4.746 CV     1
 ASSI {   75}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      2.300     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.40928E-02 ppm1      8.745 ppm2      4.370 CV     1
 ASSI {   77}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
      2.800     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.746 ppm2      3.662 CV     1
 ASSI {   89}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.700     2.800     1.300 peak    89 spectrum    1 weight  0.10000E+01 volume  0.12284E-03 ppm1      9.056 ppm2      8.933 CV     1
 ASSI {   91}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 25   and name HE22))
      4.900     3.000     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.21403E-03 ppm1      9.064 ppm2      6.947 CV     1
 ASSI {   95}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.14376E-02 ppm1      9.058 ppm2      2.120 CV     1
 ASSI {   96}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.600     0.900     0.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.17756E-02 ppm1      9.058 ppm2      1.914 CV     1
 ASSI {   98}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.000     1.100     1.100 peak    98 spectrum    1 weight  0.10000E+01 volume  0.19472E-02 ppm1      9.059 ppm2      1.545 CV     1
 ASSI {  100}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      4.200     2.200     1.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.38944E-03 ppm1      9.056 ppm2      1.146 CV     1
 ASSI {  101}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.14269E-02 ppm1      9.060 ppm2      0.882 CV     1
 OR {  101}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI {  109}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.600     1.600     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.13357E-02 ppm1      8.943 ppm2      5.735 CV     1
 ASSI {  110}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.600     0.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.34760E-02 ppm1      8.944 ppm2      5.166 CV     1
 ASSI {  111}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.22476E-02 ppm1      8.937 ppm2      5.299 CV     1
 ASSI {  117}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.10621E-02 ppm1      8.945 ppm2      1.749 CV     1
 ASSI {  120}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak   120 spectrum    1 weight  0.10000E+01 volume  0.21135E-02 ppm1      8.945 ppm2      1.380 CV     1
 ASSI {  121}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.000     1.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.13357E-02 ppm1      8.945 ppm2      1.240 CV     1
 OR {  121}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {  125}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      6.000     6.000     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.49297E-05 ppm1      8.943 ppm2      2.048 CV     1
 OR {  125}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HE2 ))
 ASSI {  129}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 120  and name HZ3 ))
      3.100     1.200     1.200 peak   129 spectrum    1 weight  0.10000E+01 volume  0.17541E-02 ppm1      8.456 ppm2      6.714 CV     1
 ASSI {  130}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HE21))
      4.400     2.400     1.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.45917E-03 ppm1      8.454 ppm2      6.353 CV     1
 ASSI {  139}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      4.500     2.600     1.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.10997E-03 ppm1      8.458 ppm2      3.284 CV     1
 ASSI {  146}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      4.500     2.500     1.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.16843E-03 ppm1      8.462 ppm2      0.866 CV     1
 OR {  146}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI {  149}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      5.000     3.200     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.87973E-04 ppm1      8.446 ppm2      0.707 CV     1
 ASSI {  153}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 120  and name HZ3 ))
      3.900     1.900     1.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.57395E-03 ppm1      9.483 ppm2      6.708 CV     1
 ASSI {  155}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      3.500     1.500     1.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.56324E-03 ppm1      9.482 ppm2      4.695 CV     1
 ASSI {  156}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.400     1.500     1.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.48816E-03 ppm1      9.487 ppm2      3.783 CV     1
 ASSI {  158}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.600     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.15502E-02 ppm1      9.483 ppm2      3.275 CV     1
 ASSI {  159}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.700     0.900     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.73491E-02 ppm1      9.483 ppm2      2.661 CV     1
 ASSI {  161}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.600     1.700     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.42646E-03 ppm1      9.473 ppm2      1.123 CV     1
 ASSI {  169}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.100     2.100     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.23012E-03 ppm1      9.486 ppm2      0.995 CV     1
 ASSI {  172}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      3.300     1.400     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.72415E-03 ppm1      8.703 ppm2      8.542 CV     1
 ASSI {  176}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.13678E-02 ppm1      8.687 ppm2      5.470 CV     1
 ASSI {  177}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.200     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.48598E-02 ppm1      8.696 ppm2      5.378 CV     1
 ASSI {  179}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      3.200     3.200     2.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.12176E-02 ppm1      8.694 ppm2      4.695 CV     1
 ASSI {  180}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HD3 ))
      3.700     1.800     1.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.30844E-03 ppm1      8.699 ppm2      4.231 CV     1
 ASSI {  181}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      4.200     2.200     1.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.25104E-03 ppm1      8.686 ppm2      4.450 CV     1
 ASSI {  182}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 117  and name HB  ))
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      8.693 ppm2      3.973 CV     1
 ASSI {  184}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak   184 spectrum    1 weight  0.10000E+01 volume  0.17219E-02 ppm1      8.697 ppm2      3.489 CV     1
 ASSI {  185}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.000     1.100     1.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.28377E-02 ppm1      8.696 ppm2      1.784 CV     1
 ASSI {  186}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
      4.900     3.000     1.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.25694E-03 ppm1      8.700 ppm2      1.643 CV     1
 OR {  186}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
 OR {  186}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  187}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.900     1.100     1.100 peak   187 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      8.695 ppm2      1.472 CV     1
 ASSI {  188}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.18882E-02 ppm1      8.695 ppm2      0.994 CV     1
 ASSI {  190}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     5.800     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.20760E-04 ppm1      8.690 ppm2      4.231 CV     1
 ASSI {  194}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      4.600     2.600     1.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.13142E-03 ppm1      8.679 ppm2      8.555 CV     1
 ASSI {  200}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 117  and name HB  ))
      6.000     4.700     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.23871E-04 ppm1      8.679 ppm2      3.991 CV     1
 ASSI {  203}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      8.671 ppm2      1.779 CV     1
 ASSI {  205}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.400     1.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.13518E-02 ppm1      8.673 ppm2      1.474 CV     1
 ASSI {  209}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.600     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.15341E-02 ppm1      8.673 ppm2      0.980 CV     1
 ASSI {  211}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 20   and name HD2%)
      3.900     1.900     1.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.39481E-03 ppm1      8.672 ppm2      0.672 CV     1
 OR {  211}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  215}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.32078E-03 ppm1      8.897 ppm2      8.010 CV     1
 ASSI {  216}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.84755E-02 ppm1      8.887 ppm2      9.021 CV     1
 ASSI {  219}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD% )
      4.800     2.800     1.200 peak   219 spectrum    1 weight  0.10000E+01 volume  0.13303E-03 ppm1      8.898 ppm2      5.341 CV     1
 ASSI {  221}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.42485E-02 ppm1      8.896 ppm2      5.129 CV     1
 ASSI {  223}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HD2 ))
      5.500     3.700     0.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.13196E-03 ppm1      8.895 ppm2      3.608 CV     1
 ASSI {  225}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.64370E-03 ppm1      8.897 ppm2      2.499 CV     1
 ASSI {  226}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.900     1.100     1.100 peak   226 spectrum    1 weight  0.10000E+01 volume  0.12660E-02 ppm1      8.896 ppm2      2.059 CV     1
 ASSI {  238}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD% )
      3.500     1.600     1.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.69197E-03 ppm1      8.018 ppm2      5.350 CV     1
 ASSI {  240}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.700     0.900     0.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.18292E-02 ppm1      8.016 ppm2      2.609 CV     1
 ASSI {  243}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.700     1.700     1.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.84755E-03 ppm1      8.014 ppm2      2.048 CV     1
 ASSI {  248}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.500     1.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.91191E-03 ppm1      8.015 ppm2      1.197 CV     1
 ASSI {  249}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.200     1.300     1.300 peak   249 spectrum    1 weight  0.10000E+01 volume  0.11694E-02 ppm1      8.014 ppm2      0.677 CV     1
 OR {  249}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 20   and name HD2%)
 ASSI {  256}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   256 spectrum    1 weight  0.10000E+01 volume  0.26123E-02 ppm1      8.540 ppm2      7.332 CV     1
 ASSI {  258}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 12   and name HD% )
      4.300     2.300     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.19043E-03 ppm1      8.539 ppm2      5.357 CV     1
 ASSI {  259}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.600     0.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.55253E-02 ppm1      8.540 ppm2      4.559 CV     1
 ASSI {  261}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak   261 spectrum    1 weight  0.10000E+01 volume  0.17434E-02 ppm1      8.541 ppm2      3.188 CV     1
 ASSI {  263}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      4.600     2.600     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.18882E-03 ppm1      8.542 ppm2      2.634 CV     1
 ASSI {  264}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.500     2.500     1.500 peak   264 spectrum    1 weight  0.10000E+01 volume  0.42808E-03 ppm1      8.539 ppm2      2.380 CV     1
 ASSI {  266}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      5.500     3.800     0.500 peak   266 spectrum    1 weight  0.10000E+01 volume  0.95481E-04 ppm1      8.544 ppm2      2.273 CV     1
 OR {  266}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  270}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.27679E-02 ppm1      8.307 ppm2      8.548 CV     1
 ASSI {  272}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.200     0.600     0.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.54715E-02 ppm1      8.307 ppm2      7.354 CV     1
 ASSI {  274}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.400     2.400     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.28698E-03 ppm1      8.309 ppm2      6.765 CV     1
 ASSI {  277}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.90654E-03 ppm1      8.306 ppm2      4.566 CV     1
 ASSI {  284}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      2.500     0.800     0.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.40499E-02 ppm1      8.307 ppm2      2.265 CV     1
 OR {  284}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  285}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.400     0.700     0.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.35082E-02 ppm1      8.307 ppm2      2.118 CV     1
 ASSI {  286}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.900     0.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.68663E-02 ppm1      8.308 ppm2      2.020 CV     1
 ASSI {  289}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      2.900     1.100     1.100 peak   289 spectrum    1 weight  0.10000E+01 volume  0.21671E-02 ppm1      7.351 ppm2      8.595 CV     1
 ASSI {  291}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.100     0.500     0.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.42485E-02 ppm1      7.351 ppm2      7.680 CV     1
 ASSI {  296}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.22208E-02 ppm1      7.352 ppm2      4.678 CV     1
 ASSI {  312}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      5.200     3.400     0.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.16575E-03 ppm1      7.683 ppm2      8.599 CV     1
 ASSI {  313}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.700     2.800     1.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.14591E-03 ppm1      7.679 ppm2      8.019 CV     1
 ASSI {  316}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak   316 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      7.680 ppm2      4.680 CV     1
 ASSI {  317}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.000     0.500     0.500 peak   317 spectrum    1 weight  0.10000E+01 volume  0.82070E-02 ppm1      7.681 ppm2      4.307 CV     1
 ASSI {  321}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      3.900     1.900     1.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.80461E-04 ppm1      7.679 ppm2      2.272 CV     1
 OR {  321}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  324}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      5.800     4.200     0.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.62760E-04 ppm1      7.679 ppm2      1.360 CV     1
 ASSI {  326}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.57933E-03 ppm1      6.757 ppm2      9.056 CV     1
 ASSI {  335}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 12   and name HD% )
      4.000     2.000     2.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.24997E-03 ppm1      6.757 ppm2      5.362 CV     1
 ASSI {  336}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.17541E-02 ppm1      6.755 ppm2      4.910 CV     1
 ASSI {  339}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.48117E-02 ppm1      6.755 ppm2      4.303 CV     1
 ASSI {  340}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.22369E-03 ppm1      6.759 ppm2      4.170 CV     1
 ASSI {  343}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.300     2.300     1.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.46722E-03 ppm1      6.756 ppm2      2.385 CV     1
 ASSI {  345}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG3 ))
      3.100     1.200     1.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.91191E-03 ppm1      6.759 ppm2      2.093 CV     1
 ASSI {  346}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.600     1.600     1.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.20652E-02 ppm1      6.755 ppm2      1.977 CV     1
 ASSI {  349}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.100     1.200     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.20277E-02 ppm1      6.755 ppm2      1.359 CV     1
 ASSI {  351}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.800     1.800     1.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.49673E-03 ppm1      6.763 ppm2      0.657 CV     1
 OR {  351}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 20   and name HD2%)
 ASSI {  356}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HE21))
      4.100     2.100     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.13250E-03 ppm1      9.053 ppm2      7.188 CV     1
 ASSI {  357}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HE22))
      4.500     2.500     1.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.27357E-03 ppm1      9.054 ppm2      6.762 CV     1
 OR {  357}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  358}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HE22))
      4.000     2.000     2.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.48921E-03 ppm1      9.042 ppm2      6.610 CV     1
 ASSI {  363}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.20169E-02 ppm1      9.046 ppm2      4.481 CV     1
 ASSI {  364}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      3.200     1.200     1.200 peak   364 spectrum    1 weight  0.10000E+01 volume  0.19097E-02 ppm1      9.046 ppm2      3.504 CV     1
 ASSI {  367}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.14752E-02 ppm1      9.043 ppm2      2.003 CV     1
 ASSI {  375}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.900     3.000     1.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.13678E-03 ppm1      9.023 ppm2      8.032 CV     1
 ASSI {  376}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.33419E-02 ppm1      9.025 ppm2      9.412 CV     1
 ASSI {  379}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.67054E-03 ppm1      9.045 ppm2      5.005 CV     1
 ASSI {  382}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.600     2.600     1.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.12284E-03 ppm1      9.038 ppm2      2.477 CV     1
 ASSI {  383}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      5.100     3.300     0.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.52192E-04 ppm1      9.018 ppm2      2.403 CV     1
 ASSI {  386}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      4.100     2.100     1.900 peak   386 spectrum    1 weight  0.10000E+01 volume  0.18828E-03 ppm1      9.028 ppm2      2.108 CV     1
 ASSI {  391}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.300     0.700     0.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.59004E-02 ppm1      9.024 ppm2      1.205 CV     1
 ASSI {  394}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 101  and name HG12))
      2.600     2.600     3.400 peak   394 spectrum    1 weight  0.10000E+01 volume  0.31005E-02 ppm1      9.041 ppm2      0.915 CV     1
 ASSI {  395}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD2%)
      3.200     1.200     1.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.21081E-02 ppm1      9.029 ppm2      0.672 CV     1
 OR {  395}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  399}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HE21))
      4.300     2.300     1.700 peak   399 spectrum    1 weight  0.10000E+01 volume  0.45436E-03 ppm1      9.060 ppm2      7.162 CV     1
 ASSI {  400}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.800     1.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.50583E-03 ppm1      9.067 ppm2      5.210 CV     1
 ASSI {  401}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.200     0.600     0.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.62760E-02 ppm1      9.068 ppm2      4.856 CV     1
 ASSI {  402}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.19365E-02 ppm1      9.069 ppm2      2.120 CV     1
 ASSI {  404}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.100     1.200     1.200 peak   404 spectrum    1 weight  0.10000E+01 volume  0.17112E-02 ppm1      9.067 ppm2      1.611 CV     1
 ASSI {  406}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      2.200     2.200     3.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.25480E-02 ppm1      9.069 ppm2      0.993 CV     1
 ASSI {  408}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HD2%)
      3.700     1.700     1.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.10192E-02 ppm1      9.070 ppm2      0.636 CV     1
 ASSI {  411}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.100     2.100     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.27786E-03 ppm1      9.494 ppm2      8.837 CV     1
 ASSI {  412}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      4.600     2.600     1.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.22744E-03 ppm1      9.491 ppm2      8.677 CV     1
 ASSI {  416}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      3.100     1.200     1.200 peak   416 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      9.477 ppm2      4.124 CV     1
 ASSI {  418}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      2.800     1.000     1.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.17702E-02 ppm1      9.478 ppm2      3.770 CV     1
 ASSI {  419}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      4.200     2.200     1.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.21403E-03 ppm1      9.477 ppm2      2.193 CV     1
 OR {  419}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 124  and name HB3 ))
 OR {  419}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI {  420}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
      2.600     0.900     0.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.34867E-02 ppm1      9.479 ppm2      1.817 CV     1
 OR {  420}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
 OR {  420}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
 ASSI {  422}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      5.800     4.200     0.200 peak   422 spectrum    1 weight  0.10000E+01 volume  0.64907E-04 ppm1      9.476 ppm2      1.379 CV     1
 ASSI {  431}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.52730E-03 ppm1      8.827 ppm2      9.490 CV     1
 ASSI {  435}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.16200E-02 ppm1      8.828 ppm2      4.984 CV     1
 ASSI {  436}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.700     2.800     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.21725E-03 ppm1      8.828 ppm2      4.841 CV     1
 ASSI {  437}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      3.400     1.400     1.400 peak   437 spectrum    1 weight  0.10000E+01 volume  0.24836E-02 ppm1      8.826 ppm2      4.627 CV     1
 ASSI {  438}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      8.824 ppm2      4.302 CV     1
 ASSI {  439}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      2.400     0.700     0.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.23495E-02 ppm1      8.826 ppm2      3.519 CV     1
 ASSI {  440}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.800     1.000     1.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17541E-02 ppm1      8.827 ppm2      1.881 CV     1
 ASSI {  441}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      4.800     2.800     1.200 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17595E-03 ppm1      8.828 ppm2      1.698 CV     1
 ASSI {  444}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.800     1.800     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.31488E-03 ppm1      8.828 ppm2      1.113 CV     1
 ASSI {  445}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.200     1.300     1.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.25855E-03 ppm1      8.828 ppm2      0.973 CV     1
 ASSI {  450}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.900     3.000     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.11372E-03 ppm1      8.376 ppm2      8.792 CV     1
 ASSI {  453}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   453 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      8.372 ppm2      5.405 CV     1
 ASSI {  457}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   457 spectrum    1 weight  0.10000E+01 volume  0.83679E-03 ppm1      8.377 ppm2      3.881 CV     1
 ASSI {  459}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
      4.900     3.000     1.100 peak   459 spectrum    1 weight  0.10000E+01 volume  0.66516E-04 ppm1      8.380 ppm2      1.684 CV     1
 ASSI {  460}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.400     3.400     2.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.66516E-03 ppm1      8.372 ppm2      1.407 CV     1
 ASSI {  461}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.900     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11801E-02 ppm1      8.372 ppm2      1.267 CV     1
 OR {  461}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
 ASSI {  462}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.600     2.600     1.400 peak   462 spectrum    1 weight  0.10000E+01 volume  0.32239E-04 ppm1      8.377 ppm2      1.021 CV     1
 ASSI {  463}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      8.371 ppm2      0.862 CV     1
 OR {  463}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
 ASSI {  464}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      2.900     2.900     3.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.20652E-02 ppm1      8.361 ppm2      0.666 CV     1
 OR {  464}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
 ASSI {  469}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HE22))
      3.400     1.500     1.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.22851E-02 ppm1      7.702 ppm2      6.942 CV     1
 ASSI {  471}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.16414E-02 ppm1      7.698 ppm2      8.379 CV     1
 ASSI {  472}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   472 spectrum    1 weight  0.10000E+01 volume  0.80461E-03 ppm1      7.699 ppm2      8.944 CV     1
 ASSI {  473}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.400     1.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.29664E-03 ppm1      7.693 ppm2      9.198 CV     1
 ASSI {  477}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.73491E-03 ppm1      7.698 ppm2      5.124 CV     1
 ASSI {  482}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.800     2.900     1.200 peak   482 spectrum    1 weight  0.10000E+01 volume  0.17165E-03 ppm1      7.702 ppm2      2.343 CV     1
 ASSI {  483}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.400     1.400     1.400 peak   483 spectrum    1 weight  0.10000E+01 volume  0.97090E-03 ppm1      7.699 ppm2      2.076 CV     1
 ASSI {  484}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
      3.500     1.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.49402E-03 ppm1      7.699 ppm2      1.769 CV     1
 ASSI {  485}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     2.800     3.200 peak   485 spectrum    1 weight  0.10000E+01 volume  0.18614E-02 ppm1      7.699 ppm2      1.404 CV     1
 ASSI {  486}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.800     1.000     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.14269E-02 ppm1      7.699 ppm2      1.252 CV     1
 OR {  486}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
 ASSI {  487}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      3.200     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.13625E-02 ppm1      7.699 ppm2      0.859 CV     1
 OR {  487}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
 ASSI {  493}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 64   and name HD22))
      4.700     2.700     1.300 peak   493 spectrum    1 weight  0.10000E+01 volume  0.16254E-03 ppm1      9.184 ppm2      7.193 CV     1
 ASSI {  494}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HE22))
      5.200     3.400     0.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.12821E-03 ppm1      9.180 ppm2      6.891 CV     1
 ASSI {  496}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.39212E-03 ppm1      9.184 ppm2      5.739 CV     1
 ASSI {  497}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      9.186 ppm2      5.117 CV     1
 ASSI {  513}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.200     2.200     1.800 peak   513 spectrum    1 weight  0.10000E+01 volume  0.40609E-03 ppm1      9.117 ppm2      8.459 CV     1
 ASSI {  514}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.700     2.800     1.300 peak   514 spectrum    1 weight  0.10000E+01 volume  0.13303E-03 ppm1      9.125 ppm2      7.945 CV     1
 ASSI {  519}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.900     3.900     2.100 peak   519 spectrum    1 weight  0.10000E+01 volume  0.83679E-03 ppm1      9.120 ppm2      5.169 CV     1
 ASSI {  520}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      4.200     2.200     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.28484E-03 ppm1      9.125 ppm2      4.355 CV     1
 ASSI {  523}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.41090E-02 ppm1      9.119 ppm2      1.534 CV     1
 ASSI {  525}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.400     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.40017E-02 ppm1      9.119 ppm2      1.275 CV     1
 ASSI {  533}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 64   and name HD21))
      4.500     2.600     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.25641E-03 ppm1      8.463 ppm2      7.590 CV     1
 ASSI {  534}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.100     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.48278E-02 ppm1      8.451 ppm2      5.311 CV     1
 ASSI {  538}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.49297E-02 ppm1      8.451 ppm2      3.644 CV     1
 ASSI {  540}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.400     0.700     0.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.71882E-02 ppm1      8.452 ppm2      2.018 CV     1
 OR {  540}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
 OR {  540}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  543}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      5.200     3.400     0.800 peak   543 spectrum    1 weight  0.10000E+01 volume  0.15556E-03 ppm1      8.459 ppm2      1.403 CV     1
 ASSI {  544}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.800     1.000     1.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.34492E-02 ppm1      8.452 ppm2      1.282 CV     1
 ASSI {  545}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      4.600     2.700     1.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.15180E-03 ppm1      8.449 ppm2      0.840 CV     1
 ASSI {  546}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      6.000     6.000     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.74024E-05 ppm1      8.440 ppm2      0.691 CV     1
 ASSI {  549}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.100     1.200     1.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      7.949 ppm2      8.936 CV     1
 ASSI {  550}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak   550 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      7.949 ppm2      8.846 CV     1
 ASSI {  551}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.18828E-02 ppm1      7.944 ppm2      8.452 CV     1
 ASSI {  552}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.41785E-03 ppm1      7.948 ppm2      8.155 CV     1
 ASSI {  555}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 64   and name HD22))
      6.000     4.600     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.79390E-04 ppm1      7.946 ppm2      7.185 CV     1
 ASSI {  557}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.200     1.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.38086E-03 ppm1      7.944 ppm2      5.318 CV     1
 ASSI {  558}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.13035E-02 ppm1      7.950 ppm2      4.604 CV     1
 ASSI {  559}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     1.700     1.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.51820E-03 ppm1      7.947 ppm2      4.462 CV     1
 ASSI {  562}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.300     2.300     1.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.40285E-03 ppm1      7.947 ppm2      3.887 CV     1
 ASSI {  563}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.37335E-02 ppm1      7.944 ppm2      3.651 CV     1
 ASSI {  565}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.400     1.400     1.400 peak   565 spectrum    1 weight  0.10000E+01 volume  0.15824E-02 ppm1      7.949 ppm2      2.951 CV     1
 ASSI {  566}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.700     1.700     1.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.11158E-02 ppm1      7.949 ppm2      2.658 CV     1
 ASSI {  567}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      4.000     2.000     2.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.34009E-03 ppm1      7.948 ppm2      2.271 CV     1
 ASSI {  570}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG  ))
      2.300     0.700     0.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.50639E-02 ppm1      7.946 ppm2      1.661 CV     1
 OR {  570}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI {  572}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak   572 spectrum    1 weight  0.10000E+01 volume  0.30951E-02 ppm1      7.947 ppm2      1.271 CV     1
 ASSI {  574}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      3.200     3.200     2.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.16200E-02 ppm1      7.946 ppm2      0.698 CV     1
 ASSI {  575}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      3.000     1.100     1.100 peak   575 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      7.947 ppm2      0.593 CV     1
 ASSI {  580}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     2.800     3.200 peak   580 spectrum    1 weight  0.10000E+01 volume  0.53643E-02 ppm1      8.131 ppm2      4.699 CV     1
 ASSI {  581}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.22744E-02 ppm1      8.132 ppm2      4.160 CV     1
 ASSI {  587}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak   587 spectrum    1 weight  0.10000E+01 volume  0.68663E-03 ppm1      8.004 ppm2      4.694 CV     1
 ASSI {  589}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HB% )
      5.100     3.200     0.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.12821E-03 ppm1      7.991 ppm2      1.144 CV     1
 ASSI {  599}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     2.500     3.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.38944E-02 ppm1      8.349 ppm2      4.689 CV     1
 ASSI {  600}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.500     1.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      8.351 ppm2      4.250 CV     1
 ASSI {  601}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.100     2.100     1.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.43556E-03 ppm1      8.358 ppm2      4.120 CV     1
 ASSI {  610}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.300     2.300     1.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.31917E-03 ppm1      8.511 ppm2      8.366 CV     1
 ASSI {  613}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   613 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      8.511 ppm2      4.209 CV     1
 ASSI {  647}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
      4.800     2.900     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.96556E-04 ppm1      7.506 ppm2      4.087 CV     1
 ASSI {  666}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.67054E-03 ppm1      8.704 ppm2      9.050 CV     1
 ASSI {  670}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HE% )
      4.600     2.600     1.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.23978E-03 ppm1      8.706 ppm2      6.674 CV     1
 ASSI {  672}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   672 spectrum    1 weight  0.10000E+01 volume  0.48921E-02 ppm1      8.703 ppm2      5.784 CV     1
 ASSI {  673}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.800     3.800     2.200 peak   673 spectrum    1 weight  0.10000E+01 volume  0.77780E-03 ppm1      8.703 ppm2      4.950 CV     1
 ASSI {  674}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     1.100     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.95481E-03 ppm1      8.703 ppm2      4.793 CV     1
 ASSI {  675}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.600     1.600     1.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.74024E-03 ppm1      8.703 ppm2      4.634 CV     1
 ASSI {  677}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      3.500     3.500     2.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.10031E-02 ppm1      8.704 ppm2      1.981 CV     1
 OR {  677}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
 ASSI {  678}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.100     1.200     1.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.12176E-02 ppm1      8.705 ppm2      1.665 CV     1
 ASSI {  680}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.500     1.500     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14215E-02 ppm1      8.704 ppm2      0.923 CV     1
 ASSI {  683}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.27250E-04 ppm1      8.330 ppm2      9.103 CV     1
 ASSI {  693}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      3.000     3.000     3.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.19204E-02 ppm1      8.325 ppm2      0.802 CV     1
 ASSI {  699}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.100     1.200     1.200 peak   699 spectrum    1 weight  0.10000E+01 volume  0.90654E-03 ppm1      9.415 ppm2      1.343 CV     1
 OR {  699}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
 ASSI {  702}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.900     1.900     1.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.43503E-03 ppm1      9.421 ppm2      4.660 CV     1
 ASSI {  703}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.27089E-02 ppm1      9.417 ppm2      5.005 CV     1
 ASSI {  707}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.900     3.000     1.100 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13357E-03 ppm1      9.417 ppm2      8.871 CV     1
 ASSI {  711}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak   711 spectrum    1 weight  0.10000E+01 volume  0.64370E-03 ppm1      8.846 ppm2      5.684 CV     1
 ASSI {  714}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      3.900     1.900     1.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.81536E-03 ppm1      8.861 ppm2      1.366 CV     1
 OR {  714}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  718}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      3.500     1.600     1.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.11962E-02 ppm1      8.261 ppm2      8.632 CV     1
 ASSI {  719}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      4.800     2.900     1.200 peak   719 spectrum    1 weight  0.10000E+01 volume  0.11855E-03 ppm1      8.264 ppm2      7.883 CV     1
 ASSI {  724}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   724 spectrum    1 weight  0.10000E+01 volume  0.15127E-02 ppm1      8.263 ppm2      4.691 CV     1
 ASSI {  725}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      2.500     0.800     0.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.34599E-02 ppm1      8.265 ppm2      4.166 CV     1
 ASSI {  727}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
      3.000     1.100     1.100 peak   727 spectrum    1 weight  0.10000E+01 volume  0.18131E-02 ppm1      8.268 ppm2      2.174 CV     1
 OR {  727}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI {  735}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
      5.000     3.100     1.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13089E-03 ppm1      8.263 ppm2      0.553 CV     1
 ASSI {  744}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HE2 ))
      3.200     1.300     1.300 peak   744 spectrum    1 weight  0.10000E+01 volume  0.14591E-02 ppm1      9.139 ppm2      2.929 CV     1
 ASSI {  745}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      3.900     1.900     1.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.25909E-03 ppm1      9.142 ppm2      1.533 CV     1
 ASSI {  746}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.200     1.300     1.300 peak   746 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      9.136 ppm2      1.258 CV     1
 ASSI {  748}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      3.300     1.300     1.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      9.135 ppm2      0.363 CV     1
 OR {  748}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
 ASSI {  765}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      5.000     3.200     1.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.85826E-04 ppm1      8.898 ppm2      0.800 CV     1
 ASSI {  766}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      5.800     4.200     0.200 peak   766 spectrum    1 weight  0.10000E+01 volume  0.37496E-04 ppm1      8.910 ppm2      0.685 CV     1
 ASSI {  770}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.000     0.500     0.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.10567E-01 ppm1      8.472 ppm2      4.697 CV     1
 ASSI {  771}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.800     2.800     3.200 peak   771 spectrum    1 weight  0.10000E+01 volume  0.19794E-02 ppm1      8.473 ppm2      4.436 CV     1
 ASSI {  776}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      2.700     2.700     3.300 peak   776 spectrum    1 weight  0.10000E+01 volume  0.76171E-03 ppm1      8.456 ppm2      0.829 CV     1
 ASSI {  783}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak   783 spectrum    1 weight  0.10000E+01 volume  0.20491E-02 ppm1      8.327 ppm2      3.919 CV     1
 ASSI {  792}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.44789E-02 ppm1      8.101 ppm2      8.322 CV     1
 ASSI {  794}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.26231E-02 ppm1      8.101 ppm2      7.441 CV     1
 ASSI {  796}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     2.700     3.300 peak   796 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      8.100 ppm2      4.540 CV     1
 ASSI {  800}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      4.500     2.500     1.500 peak   800 spectrum    1 weight  0.10000E+01 volume  0.20706E-03 ppm1      8.100 ppm2      2.630 CV     1
 ASSI {  804}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.300     1.400     1.400 peak   804 spectrum    1 weight  0.10000E+01 volume  0.11748E-02 ppm1      8.101 ppm2      1.291 CV     1
 ASSI {  806}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 46   and name HG  ))
      4.500     2.500     1.500 peak   806 spectrum    1 weight  0.10000E+01 volume  0.13196E-03 ppm1      8.109 ppm2      0.934 CV     1
 ASSI {  814}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.500     2.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.29127E-03 ppm1      7.820 ppm2      8.535 CV     1
 ASSI {  815}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.57933E-03 ppm1      7.803 ppm2      7.464 CV     1
 ASSI {  816}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   816 spectrum    1 weight  0.10000E+01 volume  0.12230E-02 ppm1      7.811 ppm2      5.009 CV     1
 ASSI {  817}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.38139E-03 ppm1      7.802 ppm2      4.695 CV     1
 ASSI {  819}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HE2 ))
      4.800     2.900     1.200 peak   819 spectrum    1 weight  0.10000E+01 volume  0.17970E-03 ppm1      7.801 ppm2      2.406 CV     1
 ASSI {  820}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.200     1.300     1.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.28055E-02 ppm1      7.809 ppm2      1.664 CV     1
 OR {  820}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  821}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      2.000     2.000     4.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.56862E-02 ppm1      7.811 ppm2      1.470 CV     1
 ASSI {  822}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG3 ))
      3.100     3.100     2.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.36798E-03 ppm1      7.807 ppm2      1.192 CV     1
 ASSI {  824}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.600     1.600     1.600 peak   824 spectrum    1 weight  0.10000E+01 volume  0.49297E-03 ppm1      7.809 ppm2      0.936 CV     1
 ASSI {  829}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.700     2.700     1.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.70806E-04 ppm1      8.519 ppm2      4.998 CV     1
 ASSI {  847}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.60080E-03 ppm1      8.776 ppm2      8.345 CV     1
 ASSI {  851}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.39481E-02 ppm1      8.777 ppm2      5.677 CV     1
 ASSI {  852}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.34653E-03 ppm1      8.775 ppm2      5.370 CV     1
 ASSI {  853}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.700     1.700     1.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.46398E-03 ppm1      8.778 ppm2      4.939 CV     1
 ASSI {  856}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      5.400     3.700     0.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.11801E-03 ppm1      8.769 ppm2      3.037 CV     1
 ASSI {  858}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.300     1.400     1.400 peak   858 spectrum    1 weight  0.10000E+01 volume  0.10836E-02 ppm1      8.776 ppm2      2.111 CV     1
 OR {  858}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  859}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.900     1.900     1.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.75634E-03 ppm1      8.776 ppm2      2.015 CV     1
 ASSI {  861}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      3.600     1.600     1.600 peak   861 spectrum    1 weight  0.10000E+01 volume  0.50207E-03 ppm1      8.777 ppm2      1.461 CV     1
 ASSI {  862}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      2.400     0.700     0.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.27733E-02 ppm1      8.777 ppm2      0.947 CV     1
 ASSI {  870}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   870 spectrum    1 weight  0.10000E+01 volume  0.19043E-02 ppm1      9.786 ppm2      4.833 CV     1
 ASSI {  872}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.300     1.400     1.400 peak   872 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      9.785 ppm2      4.148 CV     1
 ASSI {  874}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG3 ))
      2.900     1.000     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.21617E-02 ppm1      9.787 ppm2      1.603 CV     1
 OR {  874}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
 OR {  874}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
 ASSI {  875}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.600     1.700     1.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.62760E-03 ppm1      9.785 ppm2      0.958 CV     1
 ASSI {  881}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.300     0.600     0.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.44631E-02 ppm1      8.256 ppm2      4.684 CV     1
 ASSI {  882}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.800     1.800     1.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.27036E-03 ppm1      8.257 ppm2      4.474 CV     1
 ASSI {  883}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.200     2.200     1.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.61689E-03 ppm1      8.255 ppm2      4.128 CV     1
 ASSI {  886}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.200     1.300     1.300 peak   886 spectrum    1 weight  0.10000E+01 volume  0.13250E-02 ppm1      8.256 ppm2      1.953 CV     1
 OR {  886}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB3 ))
 ASSI {  887}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      4.000     2.000     2.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.40552E-03 ppm1      8.255 ppm2      1.845 CV     1
 ASSI {  893}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      4.600     2.600     1.400 peak   893 spectrum    1 weight  0.10000E+01 volume  0.30200E-03 ppm1      8.254 ppm2      0.570 CV     1
 ASSI {  896}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.900     1.900     1.900 peak   896 spectrum    1 weight  0.10000E+01 volume  0.23012E-03 ppm1      8.548 ppm2      4.455 CV     1
 ASSI {  907}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.27357E-02 ppm1      8.158 ppm2      4.447 CV     1
 ASSI {  908}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
      3.700     1.700     1.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.44951E-03 ppm1      8.159 ppm2      3.017 CV     1
 OR {  908}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD3 ))
 ASSI {  913}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      3.700     1.700     1.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.75100E-03 ppm1      8.158 ppm2      1.344 CV     1
 OR {  913}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HG3 ))
 ASSI {  914}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      4.800     2.900     1.200 peak   914 spectrum    1 weight  0.10000E+01 volume  0.16361E-03 ppm1      8.154 ppm2      0.849 CV     1
 ASSI {  920}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      5.200     3.400     0.800 peak   920 spectrum    1 weight  0.10000E+01 volume  0.12981E-03 ppm1      9.601 ppm2      4.130 CV     1
 ASSI {  921}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.900     0.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.14162E-02 ppm1      9.603 ppm2      3.908 CV     1
 ASSI {  922}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HD3 ))
      4.300     2.300     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.27947E-03 ppm1      9.599 ppm2      3.036 CV     1
 OR {  922}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  923}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
      5.100     3.300     0.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.14752E-03 ppm1      9.603 ppm2      1.845 CV     1
 ASSI {  927}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      4.400     2.400     1.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.36101E-03 ppm1      9.600 ppm2      0.993 CV     1
 ASSI {  929}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.100     1.200     1.200 peak   929 spectrum    1 weight  0.10000E+01 volume  0.87435E-03 ppm1      8.448 ppm2      9.603 CV     1
 ASSI {  932}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.400     1.400 peak   932 spectrum    1 weight  0.10000E+01 volume  0.58471E-03 ppm1      8.448 ppm2      7.254 CV     1
 ASSI {  933}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.600     1.600     1.600 peak   933 spectrum    1 weight  0.10000E+01 volume  0.38944E-03 ppm1      8.449 ppm2      5.916 CV     1
 ASSI {  937}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.500     2.500     1.500 peak   937 spectrum    1 weight  0.10000E+01 volume  0.27679E-03 ppm1      8.449 ppm2      4.364 CV     1
 ASSI {  938}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.300     1.400     1.400 peak   938 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      8.448 ppm2      4.105 CV     1
 ASSI {  939}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.400     0.700     0.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.37120E-02 ppm1      8.448 ppm2      3.911 CV     1
 ASSI {  945}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.100     2.100     1.900 peak   945 spectrum    1 weight  0.10000E+01 volume  0.29074E-03 ppm1      8.448 ppm2      1.303 CV     1
 ASSI {  950}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      5.900     4.300     0.100 peak   950 spectrum    1 weight  0.10000E+01 volume  0.34438E-04 ppm1      8.290 ppm2      8.466 CV     1
 ASSI {  951}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD21))
      4.200     2.200     1.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.33794E-03 ppm1      8.298 ppm2      7.577 CV     1
 ASSI {  953}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.000     2.000     2.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.85292E-03 ppm1      8.298 ppm2      5.381 CV     1
 ASSI {  955}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.600     1.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.44789E-03 ppm1      8.296 ppm2      4.453 CV     1
 ASSI {  956}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.900     3.100     1.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.81536E-04 ppm1      8.305 ppm2      4.077 CV     1
 ASSI {  960}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.400     1.400     1.400 peak   960 spectrum    1 weight  0.10000E+01 volume  0.67588E-03 ppm1      8.298 ppm2      2.681 CV     1
 ASSI {  962}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      4.200     2.200     1.800 peak   962 spectrum    1 weight  0.10000E+01 volume  0.27572E-03 ppm1      8.297 ppm2      1.951 CV     1
 OR {  962}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
 ASSI {  963}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.700     1.700     1.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.51658E-03 ppm1      8.297 ppm2      1.651 CV     1
 ASSI {  967}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      2.800     1.000     1.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.17541E-02 ppm1      8.298 ppm2      0.841 CV     1
 ASSI {  971}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.22369E-02 ppm1      8.135 ppm2      4.153 CV     1
 ASSI {  982}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.200     2.200     1.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.18453E-03 ppm1      8.926 ppm2      5.124 CV     1
 ASSI {  984}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   984 spectrum    1 weight  0.10000E+01 volume  0.10406E-02 ppm1      8.926 ppm2      3.877 CV     1
 ASSI {  987}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.400     1.400     1.400 peak   987 spectrum    1 weight  0.10000E+01 volume  0.70273E-03 ppm1      8.926 ppm2      2.641 CV     1
 ASSI {  989}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      5.600     3.900     0.400 peak   989 spectrum    1 weight  0.10000E+01 volume  0.10085E-04 ppm1      8.913 ppm2      0.855 CV     1
 OR {  989}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
 ASSI { 1003}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HD3 ))
      2.900     1.000     1.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      8.175 ppm2      3.116 CV     1
 ASSI { 1005}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HB2 ))
      2.900     1.100     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.21617E-02 ppm1      8.176 ppm2      2.413 CV     1
 ASSI { 1008}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      3.200     1.300     1.300 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.15878E-02 ppm1      8.173 ppm2      0.891 CV     1
 OR { 1008}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI { 1009}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.100     1.200     1.200 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.29932E-02 ppm1      8.178 ppm2      0.675 CV     1
 ASSI { 1010}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      2.900     1.100     1.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.45113E-02 ppm1      8.168 ppm2      1.586 CV     1
 OR { 1010}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1011}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.000     0.500     0.500 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.90120E-02 ppm1      8.158 ppm2      1.695 CV     1
 ASSI { 1016}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HE22))
      2.600     0.900     0.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.22101E-02 ppm1      7.757 ppm2      6.615 CV     1
 ASSI { 1018}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.900     1.900     1.900 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.90120E-04 ppm1      7.753 ppm2      4.978 CV     1
 ASSI { 1019}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      5.000     3.100     1.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.90120E-04 ppm1      7.754 ppm2      4.856 CV     1
 ASSI { 1020}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.700     1.700     1.700 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.42323E-03 ppm1      7.757 ppm2      4.701 CV     1
 ASSI { 1021}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.200     0.600     0.600 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.57395E-02 ppm1      7.758 ppm2      4.493 CV     1
 ASSI { 1022}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      2.600     0.900     0.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.23603E-02 ppm1      7.758 ppm2      3.641 CV     1
 ASSI { 1023}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.200     1.200     1.200 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.31542E-02 ppm1      7.757 ppm2      1.994 CV     1
 ASSI { 1025}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
      3.000     1.100     1.100 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.14215E-02 ppm1      7.758 ppm2      0.806 CV     1
 ASSI { 1027}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      5.500     3.800     0.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.83679E-04 ppm1      8.977 ppm2      7.738 CV     1
 ASSI { 1030}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.65979E-03 ppm1      8.977 ppm2      4.876 CV     1
 ASSI { 1031}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      8.977 ppm2      4.742 CV     1
 ASSI { 1033}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      3.600     1.600     1.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.11426E-02 ppm1      8.978 ppm2      3.635 CV     1
 ASSI { 1034}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.10782E-02 ppm1      8.979 ppm2      2.959 CV     1
 ASSI { 1035}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 52   and name HE2 ))
      2.700     2.700     3.300 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.32346E-02 ppm1      8.982 ppm2      2.850 CV     1
 ASSI { 1037}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 5    and name HE2 ))
      3.700     1.700     1.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.39373E-03 ppm1      8.973 ppm2      1.988 CV     1
 ASSI { 1045}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 18   and name HE22))
      3.800     1.800     1.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.20330E-03 ppm1      9.045 ppm2      6.711 CV     1
 OR { 1045}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1047}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.100     2.100     3.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.81536E-02 ppm1      9.055 ppm2      4.699 CV     1
 ASSI { 1053}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      7.550 ppm2      9.055 CV     1
 ASSI { 1058}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.31488E-02 ppm1      7.552 ppm2      4.908 CV     1
 ASSI { 1059}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.600     2.700     1.400 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.15610E-03 ppm1      7.548 ppm2      4.778 CV     1
 ASSI { 1063}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HD3 ))
      4.100     2.100     1.900 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.42485E-03 ppm1      7.557 ppm2      3.836 CV     1
 ASSI { 1064}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.54177E-03 ppm1      7.552 ppm2      3.504 CV     1
 ASSI { 1066}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.400     3.400     2.600 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.92800E-03 ppm1      7.544 ppm2      2.514 CV     1
 ASSI { 1067}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.700     0.900     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.25158E-02 ppm1      7.550 ppm2      1.992 CV     1
 ASSI { 1071}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      2.800     2.800     3.200 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.37120E-02 ppm1      7.551 ppm2      0.844 CV     1
 ASSI { 1081}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.13035E-02 ppm1      8.625 ppm2      3.359 CV     1
 ASSI { 1084}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.92800E-03 ppm1      8.625 ppm2      2.396 CV     1
 ASSI { 1088}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      6.000     6.000     0.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.24514E-04 ppm1      8.629 ppm2      0.413 CV     1
 ASSI { 1091}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      8.510 ppm2      7.409 CV     1
 ASSI { 1096}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.200     0.600     0.600 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.79390E-02 ppm1      8.510 ppm2      3.891 CV     1
 OR { 1096}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
 OR { 1096}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1098}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.400     1.400     1.400 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.64907E-03 ppm1      8.511 ppm2      3.360 CV     1
 ASSI { 1101}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      4.300     2.300     1.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.55786E-03 ppm1      8.509 ppm2      2.110 CV     1
 OR { 1101}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 1103}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.800     2.800     3.200 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.50959E-02 ppm1      8.512 ppm2      1.686 CV     1
 ASSI { 1104}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      6.000     4.500     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.37979E-04 ppm1      8.513 ppm2      1.268 CV     1
 ASSI { 1105}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     5.800     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.27947E-04 ppm1      8.510 ppm2      1.130 CV     1
 ASSI { 1111}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.62760E-03 ppm1      7.409 ppm2      4.690 CV     1
 ASSI { 1113}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.100     1.200     1.200 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.13089E-02 ppm1      7.409 ppm2      3.892 CV     1
 OR { 1113}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
 OR { 1113}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1114}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.300     2.300     1.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.62760E-03 ppm1      7.409 ppm2      3.615 CV     1
 ASSI { 1115}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.100     2.100     1.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.33633E-03 ppm1      7.410 ppm2      3.364 CV     1
 ASSI { 1116}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      2.500     0.800     0.800 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.60614E-02 ppm1      7.409 ppm2      2.096 CV     1
 OR { 1116}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 1119}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      4.300     2.300     1.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.55253E-03 ppm1      7.407 ppm2      1.282 CV     1
 ASSI { 1127}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.200     1.200 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      7.312 ppm2      4.296 CV     1
 ASSI { 1129}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.24032E-02 ppm1      7.312 ppm2      3.603 CV     1
 ASSI { 1130}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.700     1.700 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.55253E-03 ppm1      7.312 ppm2      3.367 CV     1
 ASSI { 1131}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.200     1.300     1.300 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      7.311 ppm2      2.089 CV     1
 OR { 1131}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
 OR { 1131}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 1132}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      7.311 ppm2      1.694 CV     1
 ASSI { 1133}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.100     0.500     0.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.57395E-02 ppm1      7.312 ppm2      1.266 CV     1
 ASSI { 1135}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      3.200     3.200     2.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.15180E-02 ppm1      7.312 ppm2      0.849 CV     1
 ASSI { 1137}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      3.800     1.800     1.800 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.92263E-03 ppm1      7.313 ppm2      0.429 CV     1
 ASSI { 1162}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.100     2.100     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.54177E-03 ppm1      7.890 ppm2      8.238 CV     1
 ASSI { 1171}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      3.300     1.300     1.300 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.93338E-03 ppm1      7.890 ppm2      3.392 CV     1
 ASSI { 1172}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      3.300     1.400     1.400 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.10889E-02 ppm1      7.892 ppm2      2.608 CV     1
 ASSI { 1173}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      5.300     3.500     0.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.85292E-04 ppm1      7.902 ppm2      2.217 CV     1
 OR { 1173}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 1173}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 124  and name HB3 ))
 ASSI { 1175}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.700     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.18667E-02 ppm1      7.892 ppm2      1.911 CV     1
 ASSI { 1176}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      2.300     0.700     0.700 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.51711E-02 ppm1      7.892 ppm2      1.717 CV     1
 OR { 1176}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1177}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      3.000     1.100     1.100 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.19472E-02 ppm1      7.890 ppm2      1.500 CV     1
 OR { 1177}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HD2 ))
 ASSI { 1187}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.600     1.600     1.600 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.69735E-03 ppm1      8.433 ppm2      8.740 CV     1
 ASSI { 1188}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.700     2.700     1.300 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.16146E-03 ppm1      8.433 ppm2      8.275 CV     1
 ASSI { 1189}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      4.700     2.700     1.300 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.16897E-03 ppm1      8.439 ppm2      5.163 CV     1
 ASSI { 1198}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      2.600     0.800     0.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.18131E-02 ppm1      8.434 ppm2      1.680 CV     1
 ASSI { 1199}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HG  ))
      2.800     1.000     1.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.22905E-02 ppm1      8.434 ppm2      1.194 CV     1
 ASSI { 1200}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      2.700     0.900     0.900 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.28698E-02 ppm1      8.433 ppm2      0.730 CV     1
 ASSI { 1201}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      3.500     3.500     2.500 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      8.433 ppm2      0.598 CV     1
 ASSI { 1202}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
      3.500     1.500     1.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.80461E-03 ppm1      8.433 ppm2      0.375 CV     1
 OR { 1202}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
 ASSI { 1206}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.700     2.800     1.300 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.12606E-03 ppm1      8.773 ppm2      9.269 CV     1
 ASSI { 1207}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.900     1.900     1.900 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.69197E-03 ppm1      8.777 ppm2      8.414 CV     1
 ASSI { 1213}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.37657E-02 ppm1      8.772 ppm2      4.376 CV     1
 ASSI { 1214}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.600     1.600     1.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.34170E-03 ppm1      8.772 ppm2      4.130 CV     1
 ASSI { 1215}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      4.200     2.200     1.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.56862E-03 ppm1      8.773 ppm2      1.679 CV     1
 ASSI { 1218}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      6.000     5.200     0.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.16361E-04 ppm1      8.766 ppm2      0.751 CV     1
 ASSI { 1219}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.300     1.400     1.400 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.11694E-02 ppm1      8.771 ppm2      0.677 CV     1
 ASSI { 1225}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.600     1.600     1.600 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.65979E-03 ppm1      7.526 ppm2      5.149 CV     1
 ASSI { 1226}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      7.528 ppm2      4.673 CV     1
 ASSI { 1227}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.200     0.600     0.600 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.60614E-02 ppm1      7.527 ppm2      4.113 CV     1
 ASSI { 1229}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG3 ))
      3.600     1.600     1.600 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.47635E-03 ppm1      7.527 ppm2      2.005 CV     1
 ASSI { 1231}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.500     1.600     1.600 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.70273E-03 ppm1      7.530 ppm2      1.331 CV     1
 ASSI { 1232}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.400     0.700     0.700 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.40124E-02 ppm1      7.527 ppm2      1.077 CV     1
 OR { 1232}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI { 1233}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.34116E-03 ppm1      7.528 ppm2      0.879 CV     1
 OR { 1233}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
 ASSI { 1235}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      2.400     0.700     0.700 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.50316E-02 ppm1      7.527 ppm2      0.393 CV     1
 ASSI { 1238}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.41466E-03 ppm1      7.535 ppm2      9.268 CV     1
 ASSI { 1245}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.400     1.400 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.68663E-03 ppm1      8.749 ppm2      5.301 CV     1
 ASSI { 1246}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.100     1.100 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.11050E-02 ppm1      8.748 ppm2      4.910 CV     1
 ASSI { 1247}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.200     0.600     0.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.53643E-02 ppm1      8.749 ppm2      4.677 CV     1
 ASSI { 1248}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG3 ))
      4.400     2.400     1.600 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.38783E-03 ppm1      8.746 ppm2      2.013 CV     1
 ASSI { 1251}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      2.500     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.34438E-02 ppm1      8.749 ppm2      1.341 CV     1
 ASSI { 1252}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.200     1.300     1.300 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.17112E-02 ppm1      8.750 ppm2      1.040 CV     1
 OR { 1252}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 1253}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      3.700     1.700     1.700 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.58471E-03 ppm1      8.750 ppm2      0.867 CV     1
 OR { 1253}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
 ASSI { 1255}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      4.200     2.200     1.800 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.22262E-03 ppm1      8.753 ppm2      0.380 CV     1
 ASSI { 1258}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.100     1.200     1.200 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.27196E-02 ppm1      8.811 ppm2      1.345 CV     1
 ASSI { 1263}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      4.500     2.600     1.500 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.10353E-03 ppm1      8.813 ppm2      3.989 CV     1
 ASSI { 1265}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.300     0.700     0.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.38407E-02 ppm1      8.811 ppm2      4.905 CV     1
 ASSI { 1266}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.000     3.000     3.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      8.812 ppm2      5.467 CV     1
 ASSI { 1272}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.28967E-03 ppm1      8.804 ppm2      9.445 CV     1
 ASSI { 1274}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 70   and name HE21))
      6.000     6.000     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.12016E-04 ppm1      9.041 ppm2      7.235 CV     1
 ASSI { 1275}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.99775E-03 ppm1      9.029 ppm2      4.861 CV     1
 ASSI { 1288}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.500     0.800     0.800 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.25641E-02 ppm1      8.136 ppm2      4.492 CV     1
 ASSI { 1289}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      4.100     2.100     1.900 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.34438E-03 ppm1      8.138 ppm2      4.699 CV     1
 ASSI { 1294}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HE2 ))
      2.600     2.600     3.400 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.30576E-02 ppm1      8.180 ppm2      2.853 CV     1
 ASSI { 1316}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.800     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.52354E-05 ppm1      8.345 ppm2      6.903 CV     1
 ASSI { 1318}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.15127E-02 ppm1      8.350 ppm2      4.250 CV     1
 ASSI { 1322}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     2.800     3.200 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.21028E-02 ppm1      8.353 ppm2      1.493 CV     1
 OR { 1322}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
 OR { 1322}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 32   and name HG  ))
 ASSI { 1325}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      4.200     2.200     1.800 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.25158E-03 ppm1      8.347 ppm2      0.737 CV     1
 OR { 1325}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI { 1331}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.100     1.200     1.200 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.71344E-03 ppm1      9.218 ppm2      4.751 CV     1
 ASSI { 1332}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      4.000     2.000     2.000 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.39749E-03 ppm1      9.222 ppm2      3.816 CV     1
 ASSI { 1334}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB  ))
      3.100     1.200     1.200 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.10246E-02 ppm1      9.220 ppm2      1.414 CV     1
 ASSI { 1335}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB  ))
      4.700     2.700     1.300 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.13839E-03 ppm1      9.226 ppm2      1.220 CV     1
 ASSI { 1338}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      4.400     2.400     1.600 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.28269E-03 ppm1      9.221 ppm2      0.555 CV     1
 ASSI { 1356}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      4.000     2.000     2.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.27625E-03 ppm1      8.535 ppm2      9.064 CV     1
 ASSI { 1357}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.300     1.300     1.300 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.13786E-02 ppm1      8.542 ppm2      8.800 CV     1
 ASSI { 1359}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      4.400     2.400     1.600 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.25319E-03 ppm1      8.533 ppm2      7.797 CV     1
 ASSI { 1360}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.900     1.000     1.000 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.13571E-02 ppm1      8.530 ppm2      7.531 CV     1
 ASSI { 1364}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.600     0.800     0.800 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.27518E-02 ppm1      8.534 ppm2      4.699 CV     1
 ASSI { 1365}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.800     1.800     1.800 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.70806E-03 ppm1      8.536 ppm2      4.185 CV     1
 ASSI { 1367}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.400     1.500     1.500 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.69735E-03 ppm1      8.531 ppm2      3.048 CV     1
 ASSI { 1368}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 124  and name HG3 ))
      3.600     1.600     1.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      8.536 ppm2      2.519 CV     1
 ASSI { 1369}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      3.000     3.000     3.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.18345E-02 ppm1      8.537 ppm2      2.198 CV     1
 OR { 1369}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 124  and name HB3 ))
 ASSI { 1370}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
      2.300     0.700     0.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.65441E-02 ppm1      8.530 ppm2      1.797 CV     1
 ASSI { 1371}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.100     3.100     2.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.38998E-03 ppm1      8.530 ppm2      1.358 CV     1
 ASSI { 1373}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.41304E-03 ppm1      8.528 ppm2      0.882 CV     1
 OR { 1373}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI { 1374}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
      2.800     0.900     0.900 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      8.535 ppm2      0.737 CV     1
 OR { 1374}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
 ASSI { 1390}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      2.800     2.800     3.200 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.65441E-03 ppm1      9.272 ppm2      0.409 CV     1
 ASSI { 1392}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.100     3.100     2.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.36584E-03 ppm1      8.717 ppm2      0.747 CV     1
 ASSI { 1395}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      2.700     0.900     0.900 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.35994E-02 ppm1      8.717 ppm2      2.211 CV     1
 ASSI { 1396}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      2.400     0.700     0.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.32990E-02 ppm1      8.718 ppm2      2.605 CV     1
 ASSI { 1398}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.900     1.000     1.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.11426E-02 ppm1      8.716 ppm2      4.445 CV     1
 ASSI { 1399}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.39427E-02 ppm1      8.718 ppm2      4.648 CV     1
 ASSI { 1400}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.14966E-02 ppm1      8.718 ppm2      8.341 CV     1
 ASSI { 1403}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.700     2.700     1.300 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.12123E-03 ppm1      8.722 ppm2      7.876 CV     1
 ASSI { 1407}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HD21))
      3.700     1.700     1.700 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.24407E-03 ppm1      8.337 ppm2      7.411 CV     1
 ASSI { 1408}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      3.900     1.900     1.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.56324E-03 ppm1      8.336 ppm2      6.959 CV     1
 ASSI { 1409}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HD22))
      5.500     3.800     0.500 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.82608E-04 ppm1      8.336 ppm2      6.443 CV     1
 ASSI { 1411}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.300     0.700     0.700 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.56324E-02 ppm1      8.337 ppm2      4.533 CV     1
 ASSI { 1412}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.900     1.900     1.900 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.73491E-03 ppm1      8.338 ppm2      4.424 CV     1
 OR { 1412}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HB  ))
 ASSI { 1416}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      3.400     1.400     1.400 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      8.337 ppm2      2.612 CV     1
 ASSI { 1418}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      2.800     1.000     1.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.12874E-02 ppm1      8.338 ppm2      2.144 CV     1
 ASSI { 1419}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HG2 ))
      4.100     2.100     1.900 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.48117E-03 ppm1      8.337 ppm2      1.829 CV     1
 ASSI { 1424}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      2.400     0.700     0.700 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.34814E-02 ppm1      7.521 ppm2      1.182 CV     1
 ASSI { 1425}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HB  ))
      4.300     2.300     1.700 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.51711E-03 ppm1      7.519 ppm2      1.551 CV     1
 ASSI { 1427}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      2.900     1.100     1.100 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.90120E-03 ppm1      7.521 ppm2      2.142 CV     1
 ASSI { 1428}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 107  and name HB3 ))
      4.700     2.800     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.32400E-03 ppm1      7.522 ppm2      2.313 CV     1
 OR { 1428}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 107  and name HG3 ))
 ASSI { 1431}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.600     0.800     0.800 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.35350E-02 ppm1      7.521 ppm2      4.424 CV     1
 OR { 1431}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB  ))
 ASSI { 1432}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.000     1.100     1.100 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.12338E-02 ppm1      7.520 ppm2      4.545 CV     1
 ASSI { 1433}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.700     2.700     3.300 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.44146E-02 ppm1      7.521 ppm2      4.700 CV     1
 ASSI { 1436}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.600     0.800     0.800 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.22422E-02 ppm1      7.521 ppm2      8.342 CV     1
 ASSI { 1437}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      5.300     3.500     0.700 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.49940E-04 ppm1      7.523 ppm2      8.734 CV     1
 ASSI { 1439}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      2.200     0.600     0.600 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.54177E-02 ppm1      6.953 ppm2      7.523 CV     1
 ASSI { 1443}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.29127E-02 ppm1      6.958 ppm2      4.424 CV     1
 OR { 1443}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB  ))
 ASSI { 1444}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.600     0.800     0.800 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.27411E-02 ppm1      6.958 ppm2      3.669 CV     1
 ASSI { 1446}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB  ))
      2.400     0.700     0.700 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.40178E-02 ppm1      6.957 ppm2      1.548 CV     1
 ASSI { 1447}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      3.600     1.600     1.600 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      6.959 ppm2      1.181 CV     1
 ASSI { 1448}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      2.000     2.000     4.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.51335E-02 ppm1      6.958 ppm2      0.662 CV     1
 ASSI { 1455}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      2.900     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.14591E-02 ppm1      8.351 ppm2      2.499 CV     1
 ASSI { 1457}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.700     0.900     0.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.17541E-02 ppm1      8.349 ppm2      3.667 CV     1
 ASSI { 1468}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.200     2.200     1.800 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.10836E-03 ppm1      8.368 ppm2      5.168 CV     1
 ASSI { 1470}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      1.900     0.500     0.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.11479E-01 ppm1      8.376 ppm2      4.421 CV     1
 ASSI { 1471}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      5.300     3.500     0.700 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.85292E-04 ppm1      8.336 ppm2      3.531 CV     1
 ASSI { 1472}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG3 ))
      2.600     0.900     0.900 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      8.376 ppm2      1.828 CV     1
 ASSI { 1473}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.500     0.800     0.800 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.45060E-02 ppm1      8.376 ppm2      1.672 CV     1
 OR { 1473}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
 ASSI { 1474}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HG1 ))
      3.300     1.300     1.300 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.40981E-02 ppm1      8.376 ppm2      1.027 CV     1
 ASSI { 1483}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      2.600     0.800     0.800 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.22154E-02 ppm1      8.389 ppm2      3.622 CV     1
 ASSI { 1485}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HB3 ))
      3.900     1.900     1.900 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.67054E-03 ppm1      8.390 ppm2      2.744 CV     1
 ASSI { 1486}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      3.900     1.900     1.900 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.78852E-03 ppm1      8.389 ppm2      2.470 CV     1
 ASSI { 1502}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      3.000     1.100     1.100 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.15610E-02 ppm1      7.520 ppm2      8.450 CV     1
 ASSI { 1506}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.800     1.000     1.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.22208E-02 ppm1      7.520 ppm2      4.824 CV     1
 ASSI { 1507}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.100     1.200     1.200 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.18292E-02 ppm1      7.520 ppm2      4.673 CV     1
 ASSI { 1509}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA2 ))
      2.900     1.000     1.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.14859E-02 ppm1      7.520 ppm2      3.975 CV     1
 ASSI { 1510}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA1 ))
      3.400     1.500     1.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.17326E-02 ppm1      7.520 ppm2      3.868 CV     1
 ASSI { 1518}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB  ))
      2.800     1.000     1.000 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.19472E-02 ppm1      8.456 ppm2      1.961 CV     1
 ASSI { 1519}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      2.800     1.000     1.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.16468E-02 ppm1      8.455 ppm2      3.075 CV     1
 ASSI { 1521}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.800     1.000     1.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      8.456 ppm2      4.226 CV     1
 ASSI { 1522}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.800     0.900     0.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.38676E-02 ppm1      8.455 ppm2      4.826 CV     1
 ASSI { 1528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      4.700     2.800     1.300 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.18345E-03 ppm1      8.543 ppm2      8.408 CV     1
 ASSI { 1529}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.500     1.500 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.71882E-03 ppm1      8.550 ppm2      5.381 CV     1
 ASSI { 1531}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.000     3.000     3.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      8.547 ppm2      4.696 CV     1
 ASSI { 1532}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.700     0.900     0.900 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      8.548 ppm2      4.416 CV     1
 ASSI { 1533}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.000     0.500     0.500 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.10567E-01 ppm1      8.548 ppm2      4.225 CV     1
 ASSI { 1534}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB  ))
      2.200     0.600     0.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.67054E-02 ppm1      8.548 ppm2      3.981 CV     1
 ASSI { 1535}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB  ))
      3.600     1.600     1.600 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.93872E-03 ppm1      8.548 ppm2      1.956 CV     1
 ASSI { 1536}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG3 ))
      3.400     1.500     1.500 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.61689E-03 ppm1      8.549 ppm2      1.806 CV     1
 ASSI { 1537}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HG1 ))
      2.900     1.000     1.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.24192E-02 ppm1      8.547 ppm2      0.983 CV     1
 ASSI { 1539}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 121  and name HB3 ))
      3.500     1.500     1.500 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.52782E-03 ppm1      8.375 ppm2      0.811 CV     1
 ASSI { 1553}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG3 ))
      4.100     2.100     1.900 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.20008E-03 ppm1      8.034 ppm2      1.839 CV     1
 OR { 1553}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI { 1555}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      2.900     2.900     3.100 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      8.028 ppm2      0.733 CV     1
 ASSI { 1560}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.36745E-03 ppm1      9.024 ppm2      8.457 CV     1
 ASSI { 1563}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 18   and name HE22))
      3.700     1.700     1.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.48921E-03 ppm1      9.024 ppm2      6.707 CV     1
 ASSI { 1564}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 7    and name HE21))
      3.400     3.400     2.600 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.21081E-03 ppm1      9.026 ppm2      6.361 CV     1
 ASSI { 1565}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.200     0.600     0.600 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.39749E-02 ppm1      9.022 ppm2      5.290 CV     1
 ASSI { 1568}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.300     1.400     1.400 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.15341E-02 ppm1      9.022 ppm2      2.867 CV     1
 OR { 1568}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB3 ))
 ASSI { 1572}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      2.200     0.600     0.600 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.77243E-02 ppm1      9.022 ppm2      0.680 CV     1
 ASSI { 1576}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.300     0.600     0.600 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.51387E-02 ppm1      8.158 ppm2      4.597 CV     1
 ASSI { 1577}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      3.600     1.700     1.700 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.35511E-03 ppm1      8.154 ppm2      1.686 CV     1
 OR { 1577}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI { 1580}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HG3 ))
      4.600     2.700     1.400 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.65441E-04 ppm1      8.157 ppm2      1.265 CV     1
 ASSI { 1581}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB3 ))
      3.200     3.200     2.800 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.20760E-02 ppm1      8.167 ppm2      0.767 CV     1
 ASSI { 1586}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      4.600     2.600     1.400 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.46346E-03 ppm1      8.440 ppm2      2.117 CV     1
 ASSI { 1588}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HB3 ))
      3.500     1.500     1.500 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.15663E-02 ppm1      8.437 ppm2      2.678 CV     1
 ASSI { 1590}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      2.400     0.700     0.700 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.23764E-02 ppm1      8.437 ppm2      4.746 CV     1
 ASSI { 1591}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.200     0.600     0.600 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.24246E-02 ppm1      8.437 ppm2      5.341 CV     1
 ASSI { 1594}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.64907E-03 ppm1      8.437 ppm2      9.055 CV     1
 ASSI { 1596}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.19311E-02 ppm1      9.062 ppm2      9.476 CV     1
 ASSI { 1598}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HE22))
      4.200     2.200     1.800 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.64370E-03 ppm1      9.059 ppm2      6.781 CV     1
 ASSI { 1599}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.700     0.900     0.900 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.18989E-02 ppm1      9.060 ppm2      4.695 CV     1
 ASSI { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.100     3.100     2.900 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.30576E-02 ppm1      9.059 ppm2      3.770 CV     1
 ASSI { 1603}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HG3 ))
      2.900     1.000     1.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.31220E-02 ppm1      9.062 ppm2      2.513 CV     1
 ASSI { 1604}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      2.500     0.800     0.800 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.31058E-02 ppm1      9.062 ppm2      2.196 CV     1
 OR { 1604}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 1604}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB3 ))
 ASSI { 1605}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
      4.100     2.100     1.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.25641E-03 ppm1      9.064 ppm2      1.839 CV     1
 OR { 1605}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 1608}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      2.400     2.400     3.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      9.062 ppm2      0.879 CV     1
 OR { 1608}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI { 1609}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
      3.200     1.300     1.300 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.22637E-02 ppm1      9.062 ppm2      0.702 CV     1
 ASSI { 1616}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB3 ))
      2.400     0.700     0.700 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.71344E-02 ppm1      8.536 ppm2      2.200 CV     1
 OR { 1616}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 1616}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 ASSI { 1619}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB3 ))
      2.200     0.600     0.600 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.71882E-02 ppm1      8.536 ppm2      3.789 CV     1
 OR { 1619}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 1621}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.100     0.500     0.500 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.85826E-02 ppm1      8.535 ppm2      4.697 CV     1
 ASSI { 1624}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HE22))
      4.500     2.500     1.500 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.35618E-04 ppm1      8.541 ppm2      6.780 CV     1
 ASSI { 1628}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      4.600     2.600     1.400 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.26123E-03 ppm1      8.535 ppm2      9.051 CV     1
 ASSI { 1629}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      4.900     3.000     1.100 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.98699E-04 ppm1      8.542 ppm2      9.483 CV     1
 ASSI { 1636}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.000     0.500     0.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.77780E-02 ppm1      8.634 ppm2      4.192 CV     1
 ASSI { 1638}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      2.400     0.700     0.700 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1      8.635 ppm2      3.786 CV     1
 ASSI { 1641}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 126  and name HB% )
      2.400     0.700     0.700 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.43879E-02 ppm1      8.634 ppm2      1.152 CV     1
 ASSI { 1642}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 3    and name HD2%)
      2.600     2.600     3.400 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      8.636 ppm2      0.762 CV     1
 OR { 1642}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI { 1644}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.900     1.900     1.900 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.39105E-03 ppm1      8.194 ppm2      1.396 CV     1
 ASSI { 1647}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.700     1.700     1.700 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.90654E-03 ppm1      8.194 ppm2      4.383 CV     1
 ASSI { 1650}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 126  and name HB% )
      3.800     1.800     1.800 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.36584E-03 ppm1      7.886 ppm2      1.163 CV     1
 ASSI { 1653}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB3 ))
      3.500     1.600     1.600 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.40178E-03 ppm1      7.883 ppm2      1.731 CV     1
 ASSI { 1655}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB3 ))
      3.800     1.800     1.800 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.94410E-03 ppm1      7.884 ppm2      1.945 CV     1
 ASSI { 1656}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG3 ))
      2.900     2.900     3.100 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.51497E-03 ppm1      7.884 ppm2      2.176 CV     1
 OR { 1656}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 1657}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      2.800     1.000     1.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.18989E-02 ppm1      7.884 ppm2      4.069 CV     1
 ASSI { 1683}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      4.500     2.500     1.500 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.14162E-03 ppm1      8.310 ppm2      8.588 CV     1
 ASSI { 1692}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HE2 ))
      4.900     3.000     1.100 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.12069E-03 ppm1      8.322 ppm2      2.892 CV     1
 ASSI { 1694}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      2.900     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.19847E-02 ppm1      8.317 ppm2      1.936 CV     1
 ASSI { 1696}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB3 ))
      2.800     1.000     1.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.27465E-02 ppm1      8.318 ppm2      1.735 CV     1
 OR { 1696}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI { 1702}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      4.900     3.000     1.100 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.16522E-03 ppm1      8.314 ppm2      0.883 CV     1
 ASSI { 1710}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.33687E-02 ppm1      8.323 ppm2      4.359 CV     1
 ASSI { 1712}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HE2 ))
      4.200     2.200     1.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.56862E-04 ppm1      8.327 ppm2      2.914 CV     1
 ASSI { 1713}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HG3 ))
      6.000     6.000     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.12338E-04 ppm1      8.326 ppm2      2.162 CV     1
 ASSI { 1717}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      3.300     1.400     1.400 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.78852E-03 ppm1      8.318 ppm2      1.596 CV     1
 OR { 1717}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 123  and name HB3 ))
 OR { 1717}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 123  and name HG  ))
 ASSI { 1739}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.500     2.500     1.500 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.21028E-03 ppm1      8.744 ppm2      7.990 CV     1
 ASSI { 1742}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.600     1.600 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.96019E-03 ppm1      8.743 ppm2      5.718 CV     1
 ASSI { 1756}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      2.700     2.700     3.300 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.36530E-02 ppm1      8.745 ppm2      0.929 CV     1
 ASSI { 1759}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.700     1.300 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.17219E-03 ppm1      9.055 ppm2      8.781 CV     1
 ASSI { 1766}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.98166E-03 ppm1      9.061 ppm2      5.169 CV     1
 ASSI { 1768}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      4.700     2.800     1.300 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.10192E-03 ppm1      9.054 ppm2      2.862 CV     1
 OR { 1768}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 120  and name HB3 ))
 ASSI { 1772}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
      3.600     1.600     1.600 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.49835E-03 ppm1      9.062 ppm2      1.723 CV     1
 ASSI { 1780}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.400     1.400 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      8.937 ppm2      8.441 CV     1
 ASSI { 1782}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 120  and name HZ3 ))
      3.900     1.900     1.900 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.69197E-03 ppm1      8.940 ppm2      6.664 CV     1
 ASSI { 1787}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.900     1.900     1.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.68126E-03 ppm1      8.947 ppm2      1.926 CV     1
 ASSI { 1792}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      3.200     1.200     1.200 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.24032E-02 ppm1      8.944 ppm2      0.880 CV     1
 OR { 1792}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI { 1795}
   (( segid "    " and resid 7    and name HE22))
   (( segid "    " and resid 7    and name HE21))
      1.800     0.400     0.400 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.63832E-02 ppm1      6.196 ppm2      6.353 CV     1
 ASSI { 1800}
   (( segid "    " and resid 7    and name HE22))
   (( segid "    " and resid 64   and name HD22))
      3.600     3.600     2.400 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      6.194 ppm2      7.184 CV     1
 ASSI { 1803}
   (( segid "    " and resid 7    and name HE21))
   (( segid "    " and resid 7    and name HB2 ))
      3.300     1.400     1.400 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.12445E-02 ppm1      6.356 ppm2      1.233 CV     1
 OR { 1803}
   (( segid "    " and resid 7    and name HE21))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI { 1804}
   (( segid "    " and resid 7    and name HE22))
   (( segid "    " and resid 7    and name HB2 ))
      3.700     1.700     1.700 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.11479E-02 ppm1      6.195 ppm2      1.230 CV     1
 OR { 1804}
   (( segid "    " and resid 7    and name HE22))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI { 1811}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.300     1.300 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.68663E-03 ppm1      8.455 ppm2      5.400 CV     1
 ASSI { 1812}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.300     1.300     1.300 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      8.458 ppm2      5.294 CV     1
 ASSI { 1815}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.700     2.800     1.300 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.77243E-04 ppm1      8.453 ppm2      2.663 CV     1
 ASSI { 1818}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.300     1.400     1.400 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.18667E-02 ppm1      8.452 ppm2      1.233 CV     1
 OR { 1818}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI { 1825}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.500     3.700     0.500 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.13732E-03 ppm1      9.485 ppm2      8.367 CV     1
 ASSI { 1829}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.900     3.000     1.100 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.92263E-04 ppm1      9.486 ppm2      4.288 CV     1
 ASSI { 1831}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.400     1.400 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      9.482 ppm2      3.529 CV     1
 ASSI { 1840}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.54177E-03 ppm1      8.698 ppm2      9.486 CV     1
 ASSI { 1850}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.54715E-03 ppm1      8.681 ppm2      5.152 CV     1
 ASSI { 1855}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.700     1.700     1.700 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.15127E-02 ppm1      8.698 ppm2      3.793 CV     1
 ASSI { 1858}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
      5.000     3.100     1.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.33473E-03 ppm1      8.701 ppm2      1.656 CV     1
 OR { 1858}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 1860}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      2.900     1.000     1.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.23066E-02 ppm1      8.705 ppm2      1.109 CV     1
 ASSI { 1865}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      8.674 ppm2      8.885 CV     1
 ASSI { 1870}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.65441E-02 ppm1      8.674 ppm2      5.478 CV     1
 ASSI { 1871}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.17702E-02 ppm1      8.675 ppm2      5.125 CV     1
 ASSI { 1874}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      5.900     4.400     0.100 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.36745E-04 ppm1      8.678 ppm2      4.224 CV     1
 ASSI { 1875}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.000     1.100     1.100 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      8.674 ppm2      2.735 CV     1
 ASSI { 1876}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.100     1.100 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.14537E-02 ppm1      8.673 ppm2      2.491 CV     1
 ASSI { 1878}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.400     1.400     1.400 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.91729E-03 ppm1      8.673 ppm2      1.622 CV     1
 ASSI { 1880}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HG  ))
      4.000     2.000     2.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.23817E-03 ppm1      8.675 ppm2      1.334 CV     1
 ASSI { 1881}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.16093E-02 ppm1      8.673 ppm2      1.211 CV     1
 ASSI { 1882}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.300     1.400     1.400 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.25909E-02 ppm1      8.674 ppm2      1.096 CV     1
 ASSI { 1896}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.11694E-02 ppm1      8.895 ppm2      4.598 CV     1
 ASSI { 1898}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.11050E-02 ppm1      8.896 ppm2      2.732 CV     1
 ASSI { 1901}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.700     1.700     1.700 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.67588E-03 ppm1      8.895 ppm2      1.779 CV     1
 ASSI { 1913}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      5.100     3.200     0.900 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.94410E-04 ppm1      8.012 ppm2      7.337 CV     1
 ASSI { 1920}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.19794E-02 ppm1      8.016 ppm2      2.380 CV     1
 ASSI { 1923}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.27786E-02 ppm1      8.011 ppm2      1.749 CV     1
 ASSI { 1929}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      8.539 ppm2      8.028 CV     1
 ASSI { 1931}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      5.400     3.700     0.600 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.85292E-04 ppm1      8.541 ppm2      7.664 CV     1
 ASSI { 1933}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.700     2.700     1.300 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.14698E-03 ppm1      8.541 ppm2      6.726 CV     1
 ASSI { 1937}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.700     0.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.66516E-02 ppm1      8.546 ppm2      4.188 CV     1
 ASSI { 1944}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      4.800     2.900     1.200 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.18506E-03 ppm1      8.541 ppm2      2.120 CV     1
 ASSI { 1945}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      5.600     3.900     0.400 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.15771E-03 ppm1      8.546 ppm2      2.018 CV     1
 ASSI { 1950}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.28967E-02 ppm1      8.308 ppm2      7.688 CV     1
 ASSI { 1959}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.12284E-02 ppm1      8.300 ppm2      4.272 CV     1
 ASSI { 1971}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 15   and name HE21))
      1.800     0.400     0.400 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.13357E-01 ppm1      6.965 ppm2      7.528 CV     1
 ASSI { 1973}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 14   and name HN  ))
      5.200     3.400     0.800 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.71882E-04 ppm1      6.968 ppm2      8.548 CV     1
 ASSI { 1975}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 16   and name HA  ))
      5.500     3.800     0.500 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.12230E-03 ppm1      6.965 ppm2      4.699 CV     1
 ASSI { 1977}
   (( segid "    " and resid 15   and name HE22))
   (( segid "    " and resid 13   and name HB2 ))
      5.200     3.400     0.800 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.74024E-04 ppm1      6.965 ppm2      2.371 CV     1
 ASSI { 1980}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HG3 ))
      3.000     1.100     1.100 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.10031E-02 ppm1      7.506 ppm2      2.313 CV     1
 OR { 1980}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI { 1981}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.29825E-03 ppm1      7.512 ppm2      4.129 CV     1
 ASSI { 1983}
   (( segid "    " and resid 124  and name HE21))
   (( segid "    " and resid 124  and name HE22))
      1.500     0.300     0.700 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.36584E-01 ppm1      7.511 ppm2      6.785 CV     1
 ASSI { 1985}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.300     0.800 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.16629E-03 ppm1      7.512 ppm2      7.707 CV     1
 ASSI { 1986}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.13625E-04 ppm1      7.514 ppm2      8.263 CV     1
 ASSI { 1988}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HE21))
      3.900     1.900     1.900 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.17380E-03 ppm1      7.343 ppm2      7.520 CV     1
 ASSI { 1992}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 17   and name HD22))
      2.700     0.900     0.900 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.11158E-02 ppm1      7.353 ppm2      6.894 CV     1
 ASSI { 1995}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.19633E-03 ppm1      7.343 ppm2      4.563 CV     1
 ASSI { 1999}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.400     1.500     1.500 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.31649E-03 ppm1      7.348 ppm2      2.624 CV     1
 ASSI { 2001}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      2.900     1.100     1.100 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.14912E-02 ppm1      7.351 ppm2      2.264 CV     1
 OR { 2001}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI { 2007}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 18   and name HE21))
      4.900     2.900     1.100 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.78318E-04 ppm1      6.896 ppm2      7.166 CV     1
 ASSI { 2009}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
      4.700     2.800     1.300 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.53643E-03 ppm1      6.893 ppm2      4.678 CV     1
 ASSI { 2010}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HB3 ))
      3.700     1.700     1.700 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.12874E-02 ppm1      6.889 ppm2      2.480 CV     1
 ASSI { 2011}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HG3 ))
      3.200     3.200     2.800 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.28913E-03 ppm1      6.892 ppm2      2.263 CV     1
 OR { 2011}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI { 2013}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.20491E-02 ppm1      6.887 ppm2      2.098 CV     1
 ASSI { 2023}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.41733E-02 ppm1      7.681 ppm2      6.759 CV     1
 ASSI { 2034}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 76   and name HG3 ))
      3.600     1.600     1.600 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      7.680 ppm2      1.997 CV     1
 OR { 2034}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
 ASSI { 2040}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      3.700     1.700     1.700 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.48493E-03 ppm1      6.757 ppm2      6.866 CV     1
 ASSI { 2041}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.14376E-02 ppm1      6.756 ppm2      7.344 CV     1
 ASSI { 2044}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      5.000     3.100     1.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.19097E-03 ppm1      6.755 ppm2      7.550 CV     1
 ASSI { 2045}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      6.755 ppm2      8.016 CV     1
 ASSI { 2057}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 76   and name HG3 ))
      3.600     1.600     1.600 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      6.757 ppm2      1.990 CV     1
 OR { 2057}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
 ASSI { 2059}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.700     0.900     0.900 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.29235E-02 ppm1      6.755 ppm2      1.730 CV     1
 OR { 2059}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 2061}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.700     2.800     1.300 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.13357E-03 ppm1      6.756 ppm2      0.836 CV     1
 ASSI { 2064}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      4.500     2.500     1.500 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.15771E-03 ppm1      6.759 ppm2      1.673 CV     1
 ASSI { 2068}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.800     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.46398E-04 ppm1      9.039 ppm2      8.170 CV     1
 ASSI { 2069}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      5.700     4.000     0.300 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.55253E-04 ppm1      9.037 ppm2      7.751 CV     1
 ASSI { 2075}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.33365E-02 ppm1      9.041 ppm2      4.983 CV     1
 ASSI { 2076}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.52034E-02 ppm1      9.051 ppm2      4.913 CV     1
 ASSI { 2083}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 52   and name HE2 ))
      4.100     2.100     1.900 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.25104E-03 ppm1      9.052 ppm2      2.828 CV     1
 ASSI { 2084}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 74   and name HE2 ))
      5.700     4.000     0.300 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.47259E-04 ppm1      9.050 ppm2      2.931 CV     1
 ASSI { 2091}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.800     1.000     1.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.22690E-02 ppm1      9.051 ppm2      1.366 CV     1
 ASSI { 2093}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      3.400     1.400     1.400 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.12176E-02 ppm1      9.051 ppm2      0.826 CV     1
 ASSI { 2095}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.200     2.200     1.800 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.30522E-03 ppm1      9.033 ppm2      9.191 CV     1
 ASSI { 2100}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HE22))
      3.400     1.400     1.400 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      9.045 ppm2      6.709 CV     1
 ASSI { 2105}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.100     0.500     0.500 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.78318E-02 ppm1      9.037 ppm2      4.613 CV     1
 ASSI { 2106}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      9.025 ppm2      4.504 CV     1
 ASSI { 2117}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
      3.600     1.600     1.600 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.72415E-03 ppm1      9.068 ppm2      0.801 CV     1
 ASSI { 2119}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.500     1.500     1.500 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      9.069 ppm2      1.219 CV     1
 ASSI { 2121}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG  ))
      6.000     6.000     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.20384E-05 ppm1      9.075 ppm2      1.368 CV     1
 ASSI { 2143}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 1    and name HG3 ))
      5.200     3.400     0.800 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.61689E-04 ppm1      9.500 ppm2      2.107 CV     1
 ASSI { 2144}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
      2.700     0.900     0.900 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.28055E-02 ppm1      9.479 ppm2      1.822 CV     1
 OR { 2144}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 2146}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      3.500     1.500     1.500 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      9.472 ppm2      1.561 CV     1
 OR { 2146}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 123  and name HG  ))
 OR { 2146}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 123  and name HB3 ))
 ASSI { 2149}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 126  and name HB% )
      3.700     1.700     1.700 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.53320E-03 ppm1      9.503 ppm2      1.209 CV     1
 ASSI { 2154}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
      3.400     1.400     1.400 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.97090E-03 ppm1      9.479 ppm2      0.693 CV     1
 OR { 2154}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
 ASSI { 2156}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.700     1.700     1.700 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.86364E-03 ppm1      8.825 ppm2      9.029 CV     1
 ASSI { 2163}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 70   and name HE22))
      5.500     3.700     0.500 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.12874E-03 ppm1      8.833 ppm2      6.605 CV     1
 ASSI { 2172}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      3.900     1.900     1.900 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.34492E-03 ppm1      8.835 ppm2      1.586 CV     1
 OR { 2172}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 2174}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG12))
      3.300     1.300     1.300 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.76171E-03 ppm1      8.829 ppm2      1.475 CV     1
 ASSI { 2175}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      4.500     2.500     1.500 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.21886E-03 ppm1      8.825 ppm2      1.268 CV     1
 OR { 2175}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
 ASSI { 2193}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.21135E-02 ppm1      8.372 ppm2      4.302 CV     1
 ASSI { 2196}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.700     0.900     0.900 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      8.351 ppm2      2.735 CV     1
 ASSI { 2209}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.500     1.500 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.61151E-03 ppm1      7.702 ppm2      3.873 CV     1
 ASSI { 2211}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.300     2.300     1.700 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.40499E-03 ppm1      7.705 ppm2      3.775 CV     1
 ASSI { 2227}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HE21))
      3.200     1.300     1.300 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.39909E-03 ppm1      7.691 ppm2      7.497 CV     1
 ASSI { 2235}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     6.000     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.37871E-05 ppm1      7.704 ppm2      2.107 CV     1
 OR { 2235}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI { 2246}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HB3 ))
      3.700     1.700     1.700 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.95481E-03 ppm1      9.185 ppm2      2.334 CV     1
 OR { 2246}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HG3 ))
 ASSI { 2247}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.700     1.700     1.700 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.12016E-02 ppm1      9.187 ppm2      2.111 CV     1
 OR { 2247}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI { 2253}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      3.800     1.900     1.900 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.50207E-03 ppm1      9.186 ppm2      0.850 CV     1
 OR { 2253}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
 ASSI { 2255}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      2.900     1.100     1.100 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.19633E-02 ppm1      9.119 ppm2      0.899 CV     1
 ASSI { 2260}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      4.400     2.400     1.600 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.30469E-03 ppm1      9.119 ppm2      1.889 CV     1
 ASSI { 2267}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.32346E-02 ppm1      9.119 ppm2      5.739 CV     1
 ASSI { 2269}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 64   and name HD22))
      5.700     4.000     0.300 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.12713E-03 ppm1      9.114 ppm2      7.182 CV     1
 ASSI { 2273}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     3.000     3.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.54177E-03 ppm1      9.119 ppm2      8.960 CV     1
 ASSI { 2275}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      5.200     3.400     0.800 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.82608E-04 ppm1      8.456 ppm2      8.773 CV     1
 ASSI { 2280}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 64   and name HD22))
      3.900     1.900     1.900 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.51068E-03 ppm1      8.452 ppm2      7.185 CV     1
 ASSI { 2283}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      5.200     3.400     0.800 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.72415E-04 ppm1      8.450 ppm2      4.447 CV     1
 ASSI { 2287}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      5.500     3.800     0.500 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.10675E-03 ppm1      8.450 ppm2      2.676 CV     1
 ASSI { 2288}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.500     0.800     0.800 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.49887E-02 ppm1      8.451 ppm2      2.014 CV     1
 ASSI { 2289}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HG  ))
      3.900     1.900     1.900 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.43237E-03 ppm1      8.449 ppm2      1.656 CV     1
 ASSI { 2294}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      5.200     3.400     0.800 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.62760E-04 ppm1      8.443 ppm2      2.045 CV     1
 OR { 2294}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG3 ))
 OR { 2294}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
 OR { 2294}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 2303}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      5.600     4.000     0.400 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.30040E-04 ppm1      7.950 ppm2      4.978 CV     1
 ASSI { 2310}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      6.000     5.600     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.26070E-04 ppm1      7.950 ppm2      3.285 CV     1
 ASSI { 2318}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG  ))
      2.200     0.600     0.600 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.62223E-02 ppm1      7.946 ppm2      1.658 CV     1
 ASSI { 2326}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      5.500     3.800     0.500 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.41304E-04 ppm1      8.131 ppm2      7.890 CV     1
 ASSI { 2341}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      4.500     2.500     1.500 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.19901E-03 ppm1      8.034 ppm2      5.127 CV     1
 ASSI { 2342}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     5.400     0.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.33473E-04 ppm1      8.034 ppm2      4.360 CV     1
 ASSI { 2343}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      4.100     4.100     1.900 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.56862E-03 ppm1      8.034 ppm2      3.767 CV     1
 ASSI { 2344}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      5.000     3.200     1.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.68663E-04 ppm1      8.025 ppm2      2.966 CV     1
 ASSI { 2345}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      5.500     3.800     0.500 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.80999E-04 ppm1      8.026 ppm2      0.834 CV     1
 ASSI { 2346}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
      4.000     2.000     2.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.26231E-03 ppm1      8.032 ppm2      0.739 CV     1
 OR { 2346}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
 ASSI { 2351}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      4.100     2.100     1.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.20813E-03 ppm1      8.376 ppm2      1.654 CV     1
 ASSI { 2354}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG3 ))
      3.400     1.400     1.400 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.93338E-03 ppm1      8.511 ppm2      2.506 CV     1
 OR { 2354}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 2357}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.300     0.600     0.600 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.69735E-02 ppm1      8.510 ppm2      4.701 CV     1
 ASSI { 2360}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.71882E-03 ppm1      8.511 ppm2      8.345 CV     1
 ASSI { 2389}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      4.400     2.500     1.600 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.36584E-03 ppm1      7.477 ppm2      2.735 CV     1
 ASSI { 2391}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
      5.900     4.300     0.100 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.49135E-04 ppm1      7.479 ppm2      1.879 CV     1
 ASSI { 2392}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
      4.200     2.200     1.800 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.28591E-03 ppm1      7.473 ppm2      0.740 CV     1
 OR { 2392}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
 ASSI { 2402}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.300     2.300     1.700 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.16414E-03 ppm1      7.250 ppm2      4.461 CV     1
 ASSI { 2403}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.22262E-02 ppm1      7.251 ppm2      4.463 CV     1
 ASSI { 2404}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.700     0.900     0.900 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.16414E-02 ppm1      7.250 ppm2      3.951 CV     1
 ASSI { 2405}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.700     1.800     1.800 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.18399E-03 ppm1      7.251 ppm2      3.720 CV     1
 ASSI { 2406}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      4.900     3.000     1.100 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.11533E-03 ppm1      7.250 ppm2      3.472 CV     1
 ASSI { 2407}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      4.100     2.100     1.900 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.13464E-03 ppm1      7.252 ppm2      1.512 CV     1
 ASSI { 2408}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      3.300     1.400     1.400 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.95481E-03 ppm1      7.251 ppm2      0.984 CV     1
 ASSI { 2410}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
      5.400     3.600     0.600 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.78318E-04 ppm1      7.256 ppm2      0.707 CV     1
 OR { 2410}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
 ASSI { 2411}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      3.500     1.600     1.600 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      7.254 ppm2      0.577 CV     1
 ASSI { 2413}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.600     2.600     1.400 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.13678E-03 ppm1      8.695 ppm2      8.536 CV     1
 ASSI { 2416}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.200     2.200     1.800 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.12230E-03 ppm1      8.703 ppm2      4.704 CV     1
 ASSI { 2422}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      4.600     2.600     1.400 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.15020E-03 ppm1      8.710 ppm2      3.484 CV     1
 ASSI { 2424}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      5.400     3.700     0.600 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.70273E-04 ppm1      8.704 ppm2      0.978 CV     1
 ASSI { 2426}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      4.400     2.400     1.600 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.10675E-03 ppm1      8.740 ppm2      5.910 CV     1
 ASSI { 2429}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      5.400     3.600     0.600 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.70273E-04 ppm1      8.747 ppm2      0.733 CV     1
 OR { 2429}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI { 2430}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      4.400     2.400     1.600 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.30308E-03 ppm1      8.742 ppm2      3.738 CV     1
 ASSI { 2432}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
      4.600     2.600     1.400 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.26392E-03 ppm1      8.752 ppm2      3.617 CV     1
 ASSI { 2439}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      4.700     2.800     1.300 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.21779E-03 ppm1      8.704 ppm2      9.531 CV     1
 ASSI { 2449}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.500     1.500     1.500 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.40823E-03 ppm1      8.711 ppm2      3.042 CV     1
 ASSI { 2450}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      5.900     4.300     0.100 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.48545E-04 ppm1      8.716 ppm2      2.320 CV     1
 ASSI { 2453}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      4.800     2.900     1.200 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.10943E-03 ppm1      8.709 ppm2      1.320 CV     1
 OR { 2453}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2465}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.300     0.700     0.700 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.64907E-02 ppm1      8.345 ppm2      4.799 CV     1
 ASSI { 2481}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      5.700     4.100     0.300 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.71882E-04 ppm1      8.365 ppm2      0.597 CV     1
 ASSI { 2484}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 31   and name HB% )
      4.100     2.100     1.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.22262E-03 ppm1      8.348 ppm2      1.138 CV     1
 ASSI { 2489}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
      4.200     2.200     1.800 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.42590E-03 ppm1      9.414 ppm2      1.455 CV     1
 ASSI { 2492}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.100     1.100 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      9.415 ppm2      1.751 CV     1
 OR { 2492}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 2495}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.31327E-03 ppm1      9.413 ppm2      5.373 CV     1
 ASSI { 2499}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 41   and name HE% )
      4.800     2.800     1.200 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.10728E-03 ppm1      9.427 ppm2      6.619 CV     1
 ASSI { 2508}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
      2.500     2.500     3.500 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.10567E-01 ppm1      8.847 ppm2      1.448 CV     1
 ASSI { 2509}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.400     3.400     2.600 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      8.854 ppm2      1.406 CV     1
 ASSI { 2514}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.400     0.700     0.700 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.37925E-02 ppm1      8.857 ppm2      5.360 CV     1
 ASSI { 2518}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      5.500     3.800     0.500 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.34009E-04 ppm1      8.849 ppm2      8.517 CV     1
 ASSI { 2519}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      8.851 ppm2      8.264 CV     1
 ASSI { 2533}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.000     1.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.11372E-02 ppm1      8.259 ppm2      5.290 CV     1
 ASSI { 2534}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.700     2.800     1.300 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.71882E-04 ppm1      8.259 ppm2      4.969 CV     1
 ASSI { 2540}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.900     1.000     1.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.13357E-02 ppm1      8.266 ppm2      1.815 CV     1
 ASSI { 2552}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.21564E-02 ppm1      9.137 ppm2      5.001 CV     1
 ASSI { 2565}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
      3.200     1.300     1.300 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.17595E-02 ppm1      8.950 ppm2      0.370 CV     1
 OR { 2565}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
 ASSI { 2570}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      8.949 ppm2      1.449 CV     1
 ASSI { 2580}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.300     1.300     1.300 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.47793E-03 ppm1      8.950 ppm2      8.257 CV     1
 ASSI { 2583}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      5.000     3.100     1.000 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.13089E-03 ppm1      8.448 ppm2      0.564 CV     1
 ASSI { 2600}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.000     2.000     2.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.21188E-03 ppm1      8.453 ppm2      8.280 CV     1
 ASSI { 2601}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.600     2.600     1.400 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.13893E-03 ppm1      8.444 ppm2      8.687 CV     1
 ASSI { 2604}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.74024E-03 ppm1      8.336 ppm2      8.701 CV     1
 ASSI { 2613}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.31971E-02 ppm1      8.328 ppm2      4.544 CV     1
 ASSI { 2618}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.700     1.700     1.700 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.39963E-03 ppm1      8.329 ppm2      2.862 CV     1
 ASSI { 2620}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.100     1.200     1.200 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.91191E-03 ppm1      8.366 ppm2      2.627 CV     1
 ASSI { 2621}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.29449E-02 ppm1      8.315 ppm2      1.777 CV     1
 OR { 2621}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 2623}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.900     0.900 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.27411E-02 ppm1      8.345 ppm2      1.634 CV     1
 ASSI { 2628}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.700     1.700     1.700 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.74024E-03 ppm1      8.101 ppm2      1.137 CV     1
 ASSI { 2630}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG3 ))
      2.600     0.900     0.900 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.23173E-02 ppm1      8.102 ppm2      1.392 CV     1
 ASSI { 2632}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.65979E-02 ppm1      8.102 ppm2      1.772 CV     1
 OR { 2632}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 2646}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.18936E-02 ppm1      7.430 ppm2      1.710 CV     1
 OR { 2646}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
 ASSI { 2648}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.200     2.200     1.800 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.15395E-03 ppm1      7.444 ppm2      4.216 CV     1
 ASSI { 2660}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.600     0.600 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.54715E-02 ppm1      7.809 ppm2      4.227 CV     1
 ASSI { 2661}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     5.200     0.000 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.15610E-04 ppm1      7.817 ppm2      3.950 CV     1
 ASSI { 2667}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
      5.400     3.700     0.600 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.70273E-04 ppm1      7.805 ppm2      1.318 CV     1
 ASSI { 2670}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG3 ))
      3.000     1.100     1.100 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.13303E-02 ppm1      7.808 ppm2      1.064 CV     1
 ASSI { 2673}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.29932E-03 ppm1      7.808 ppm2      1.556 CV     1
 OR { 2673}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB3 ))
 ASSI { 2685}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.900     3.000     1.100 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.16790E-03 ppm1      8.517 ppm2      0.897 CV     1
 ASSI { 2700}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      6.000     5.800     0.000 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.13089E-04 ppm1      8.306 ppm2      2.253 CV     1
 ASSI { 2702}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.800     2.900     1.200 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.15556E-03 ppm1      8.319 ppm2      2.119 CV     1
 OR { 2702}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI { 2706}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.000     2.000     2.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.20974E-03 ppm1      8.274 ppm2      5.691 CV     1
 ASSI { 2713}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      8.777 ppm2      1.827 CV     1
 ASSI { 2720}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.200     1.200 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.11319E-02 ppm1      8.780 ppm2      4.823 CV     1
 ASSI { 2730}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.41947E-03 ppm1      8.783 ppm2      9.759 CV     1
 ASSI { 2732}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.19097E-02 ppm1      9.787 ppm2      1.741 CV     1
 OR { 2732}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
 ASSI { 2736}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      2.700     0.900     0.900 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.18882E-02 ppm1      9.786 ppm2      4.935 CV     1
 ASSI { 2742}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      5.200     3.300     0.800 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.15073E-03 ppm1      9.779 ppm2      8.127 CV     1
 ASSI { 2747}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
      4.800     2.900     1.200 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.14483E-03 ppm1      9.783 ppm2      1.665 CV     1
 ASSI { 2749}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      8.095 ppm2      8.451 CV     1
 ASSI { 2750}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.66516E-04 ppm1      8.098 ppm2      8.686 CV     1
 ASSI { 2752}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.800     4.200     0.200 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.40928E-04 ppm1      8.099 ppm2      9.482 CV     1
 ASSI { 2755}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.700     0.000 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.44255E-04 ppm1      8.124 ppm2      7.230 CV     1
 ASSI { 2760}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HZ3 ))
      4.500     2.600     1.500 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.12928E-03 ppm1      8.094 ppm2      6.714 CV     1
 OR { 2760}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HH2 ))
 ASSI { 2764}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      6.000     5.300     0.000 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.16361E-04 ppm1      8.125 ppm2      4.986 CV     1
 ASSI { 2766}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.22315E-02 ppm1      8.117 ppm2      4.284 CV     1
 ASSI { 2769}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      5.700     4.100     0.300 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.41357E-04 ppm1      8.109 ppm2      3.928 CV     1
 ASSI { 2775}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.500     2.500     1.500 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.23924E-03 ppm1      8.117 ppm2      2.135 CV     1
 OR { 2775}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI { 2778}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
      3.500     1.600     1.600 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.12123E-02 ppm1      8.096 ppm2      1.689 CV     1
 OR { 2778}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 2781}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.000     1.100     1.100 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.22047E-02 ppm1      8.131 ppm2      1.465 CV     1
 ASSI { 2785}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      2.600     2.600     3.400 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.95481E-03 ppm1      8.114 ppm2      1.140 CV     1
 ASSI { 2787}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.000     3.000     3.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.38354E-03 ppm1      8.097 ppm2      1.022 CV     1
 ASSI { 2803}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     5.700     0.000 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.24836E-04 ppm1      8.565 ppm2      3.054 CV     1
 ASSI { 2805}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.900     0.000 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.19472E-04 ppm1      8.548 ppm2      4.840 CV     1
 ASSI { 2808}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     6.000     0.000 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.74024E-05 ppm1      8.556 ppm2      8.173 CV     1
 ASSI { 2816}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.100     1.200     1.200 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.64907E-03 ppm1      8.209 ppm2      5.289 CV     1
 ASSI { 2832}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.400     1.400 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.47741E-03 ppm1      8.242 ppm2      1.490 CV     1
 ASSI { 2834}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.000     1.100     1.100 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.27465E-02 ppm1      8.229 ppm2      1.891 CV     1
 OR { 2834}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG3 ))
 ASSI { 2835}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      6.000     4.500     0.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.44898E-04 ppm1      9.604 ppm2      0.837 CV     1
 ASSI { 2837}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      2.900     1.100     1.100 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.12874E-02 ppm1      9.603 ppm2      1.315 CV     1
 OR { 2837}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG3 ))
 ASSI { 2838}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      4.600     2.600     1.400 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.28055E-03 ppm1      9.603 ppm2      1.401 CV     1
 ASSI { 2842}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
      5.100     3.300     0.900 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.91191E-04 ppm1      9.604 ppm2      3.597 CV     1
 ASSI { 2845}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.300     0.700     0.700 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.32936E-02 ppm1      9.604 ppm2      4.360 CV     1
 ASSI { 2846}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      4.600     2.700     1.400 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.23656E-03 ppm1      9.604 ppm2      4.034 CV     1
 ASSI { 2848}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.72415E-03 ppm1      9.602 ppm2      5.901 CV     1
 ASSI { 2861}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      8.448 ppm2      4.688 CV     1
 ASSI { 2872}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      3.200     1.200     1.200 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.19365E-02 ppm1      8.449 ppm2      0.992 CV     1
 ASSI { 2873}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      2.900     1.000     1.000 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.21081E-02 ppm1      8.447 ppm2      0.835 CV     1
 ASSI { 2878}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      4.000     2.000     2.000 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.78852E-04 ppm1      8.255 ppm2      0.992 CV     1
 ASSI { 2879}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 31   and name HB% )
      5.500     3.700     0.500 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.60614E-04 ppm1      8.256 ppm2      1.179 CV     1
 ASSI { 2893}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.800     0.000 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.42751E-04 ppm1      8.257 ppm2      5.405 CV     1
 ASSI { 2898}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.300     2.300     1.700 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.26499E-03 ppm1      8.256 ppm2      8.441 CV     1
 ASSI { 2902}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.700     1.700     1.700 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.11104E-03 ppm1      8.297 ppm2      8.505 CV     1
 ASSI { 2905}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD22))
      5.200     3.400     0.800 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.22744E-03 ppm1      8.300 ppm2      7.185 CV     1
 ASSI { 2908}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.19150E-02 ppm1      8.298 ppm2      4.686 CV     1
 ASSI { 2911}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.900     1.900     1.900 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.30415E-03 ppm1      8.302 ppm2      3.936 CV     1
 ASSI { 2922}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      5.200     3.300     0.800 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.16736E-03 ppm1      8.297 ppm2      1.297 CV     1
 ASSI { 2926}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      4.000     2.000     2.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.71344E-04 ppm1      8.299 ppm2      0.581 CV     1
 ASSI { 2928}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.300     2.300     1.700 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.23119E-03 ppm1      7.923 ppm2      8.123 CV     1
 ASSI { 2931}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HD22))
      5.100     3.300     0.900 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.16522E-04 ppm1      7.910 ppm2      7.183 CV     1
 ASSI { 2933}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      5.700     4.000     0.300 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.72415E-04 ppm1      7.919 ppm2      5.122 CV     1
 ASSI { 2935}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.700     0.700 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.49564E-02 ppm1      7.924 ppm2      3.932 CV     1
 ASSI { 2936}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.55253E-03 ppm1      7.925 ppm2      3.780 CV     1
 ASSI { 2937}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      5.000     3.200     1.000 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.90120E-04 ppm1      7.923 ppm2      2.995 CV     1
 ASSI { 2939}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      6.000     6.000     0.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.20652E-05 ppm1      7.921 ppm2      2.058 CV     1
 ASSI { 2940}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      3.500     1.600     1.600 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.16039E-03 ppm1      7.925 ppm2      1.915 CV     1
 ASSI { 2941}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      3.000     1.100     1.100 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.18667E-02 ppm1      7.923 ppm2      1.824 CV     1
 ASSI { 2942}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      4.000     2.000     2.000 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.46293E-03 ppm1      7.927 ppm2      1.355 CV     1
 ASSI { 2943}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      2.000     2.000     4.000 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.44951E-02 ppm1      7.924 ppm2      0.836 CV     1
 ASSI { 2946}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 25   and name HE22))
      4.700     2.800     1.300 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.26284E-04 ppm1      8.123 ppm2      6.965 CV     1
 ASSI { 2948}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.700     1.700     1.700 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.49245E-03 ppm1      8.096 ppm2      5.378 CV     1
 ASSI { 2952}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     5.400     0.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.73491E-05 ppm1      8.129 ppm2      3.052 CV     1
 ASSI { 2954}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     5.100     0.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.24353E-04 ppm1      8.123 ppm2      2.109 CV     1
 ASSI { 2961}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.400     1.600 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.43556E-04 ppm1      8.921 ppm2      9.201 CV     1
 ASSI { 2967}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.34921E-02 ppm1      8.925 ppm2      4.334 CV     1
 ASSI { 2970}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      5.400     3.600     0.600 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.10567E-03 ppm1      8.926 ppm2      3.768 CV     1
 ASSI { 2971}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.600     1.600     1.600 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.86902E-03 ppm1      8.924 ppm2      2.949 CV     1
 ASSI { 2975}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.300     3.300     2.700 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.21832E-03 ppm1      8.927 ppm2      2.691 CV     1
 ASSI { 2977}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      6.000     6.000     0.000 peak  2977 spectrum    1 weight  0.10000E+01 volume  0.57395E-05 ppm1      8.922 ppm2      1.832 CV     1
 ASSI { 2978}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      5.300     3.500     0.700 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.80999E-04 ppm1      8.931 ppm2      1.271 CV     1
 OR { 2978}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
 ASSI { 2982}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     5.000     0.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.14000E-04 ppm1      7.912 ppm2      0.933 CV     1
 ASSI { 2984}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      5.700     4.000     0.300 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.34706E-04 ppm1      7.952 ppm2      3.549 CV     1
 ASSI { 2988}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HD21))
      5.700     4.100     0.300 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.91729E-05 ppm1      7.938 ppm2      7.452 CV     1
 ASSI { 2990}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.800     2.800     1.200 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.12123E-03 ppm1      7.947 ppm2      8.307 CV     1
 ASSI { 2994}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      5.700     4.100     0.300 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.36530E-04 ppm1      8.163 ppm2      8.874 CV     1
 ASSI { 3000}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.400     2.400     1.600 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.44631E-03 ppm1      8.176 ppm2      5.318 CV     1
 ASSI { 3001}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.200     1.200 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.93872E-03 ppm1      8.158 ppm2      4.985 CV     1
 ASSI { 3002}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      2.700     0.900     0.900 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.14215E-02 ppm1      8.178 ppm2      4.751 CV     1
 ASSI { 3004}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.900     0.000 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.16200E-04 ppm1      8.175 ppm2      4.085 CV     1
 ASSI { 3005}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
      4.300     4.300     1.700 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.12606E-03 ppm1      8.189 ppm2      3.806 CV     1
 OR { 3005}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 3010}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      4.000     2.000     2.000 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.52568E-03 ppm1      8.161 ppm2      2.252 CV     1
 ASSI { 3013}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
      6.000     6.000     0.000 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.90120E-05 ppm1      8.161 ppm2      1.781 CV     1
 OR { 3013}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG3 ))
 ASSI { 3033}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 18   and name HE21))
      3.800     1.800     1.800 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.88511E-03 ppm1      7.757 ppm2      7.135 CV     1
 ASSI { 3037}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      7.758 ppm2      5.212 CV     1
 ASSI { 3055}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 18   and name HE21))
      2.900     1.000     1.000 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.13839E-02 ppm1      8.976 ppm2      7.187 CV     1
 ASSI { 3069}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     3.700     2.300 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.11211E-03 ppm1      8.976 ppm2      0.990 CV     1
 ASSI { 3071}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 20   and name HD2%)
      2.800     2.800     3.200 peak  3071 spectrum    1 weight  0.10000E+01 volume  0.68126E-03 ppm1      8.983 ppm2      0.626 CV     1
 ASSI { 3072}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      5.100     3.200     0.900 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.18024E-04 ppm1      8.967 ppm2      0.374 CV     1
 OR { 3072}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
 ASSI { 3073}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 52   and name HE2 ))
      6.000     5.600     0.000 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.13678E-04 ppm1      9.059 ppm2      2.902 CV     1
 ASSI { 3075}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.800     1.800     1.800 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.25534E-03 ppm1      9.056 ppm2      1.921 CV     1
 OR { 3075}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI { 3077}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
      5.400     3.700     0.600 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.43022E-04 ppm1      9.051 ppm2      1.642 CV     1
 ASSI { 3078}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      4.700     2.700     1.300 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.16200E-03 ppm1      9.053 ppm2      1.355 CV     1
 OR { 3078}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI { 3079}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      5.200     3.400     0.800 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.54177E-04 ppm1      9.049 ppm2      1.309 CV     1
 ASSI { 3083}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      6.000     4.600     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.15395E-04 ppm1      9.044 ppm2      0.331 CV     1
 OR { 3083}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
 ASSI { 3087}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 18   and name HE22))
      4.400     2.400     1.600 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.41842E-04 ppm1      9.046 ppm2      6.706 CV     1
 ASSI { 3092}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      6.000     5.100     0.000 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.17756E-04 ppm1      9.062 ppm2      1.936 CV     1
 ASSI { 3093}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      4.600     2.600     1.400 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.83679E-04 ppm1      7.545 ppm2      0.376 CV     1
 ASSI { 3098}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      3.200     1.300     1.300 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      7.551 ppm2      1.965 CV     1
 ASSI { 3101}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.700     2.700     3.300 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.40823E-02 ppm1      7.543 ppm2      2.525 CV     1
 OR { 3101}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 3102}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 52   and name HE2 ))
      3.300     1.300     1.300 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.26982E-03 ppm1      7.553 ppm2      2.863 CV     1
 ASSI { 3108}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.900     0.900 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.19955E-02 ppm1      7.550 ppm2      4.640 CV     1
 ASSI { 3120}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      6.000     6.000     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.99237E-05 ppm1      8.620 ppm2      0.558 CV     1
 ASSI { 3122}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      5.300     3.500     0.700 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.11587E-03 ppm1      8.638 ppm2      1.314 CV     1
 ASSI { 3148}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      3.900     1.900     1.900 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.41413E-03 ppm1      8.512 ppm2      7.317 CV     1
 ASSI { 3152}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.300     2.400     1.700 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.36905E-03 ppm1      8.510 ppm2      4.266 CV     1
 ASSI { 3155}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.200     0.600     0.600 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.77243E-02 ppm1      8.510 ppm2      3.888 CV     1
 OR { 3155}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 3156}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      5.400     3.600     0.600 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.84755E-04 ppm1      8.519 ppm2      3.509 CV     1
 ASSI { 3162}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.11479E-02 ppm1      8.511 ppm2      1.703 CV     1
 ASSI { 3165}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.34975E-02 ppm1      7.409 ppm2      4.290 CV     1
 ASSI { 3166}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.000     1.100     1.100 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.16414E-02 ppm1      7.409 ppm2      3.890 CV     1
 OR { 3166}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 3167}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
      5.100     3.200     0.900 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.18936E-03 ppm1      7.411 ppm2      3.716 CV     1
 ASSI { 3172}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.700     1.700     1.700 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.15020E-02 ppm1      7.409 ppm2      2.401 CV     1
 ASSI { 3175}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.900     1.900     1.900 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.47688E-03 ppm1      7.407 ppm2      1.955 CV     1
 ASSI { 3176}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.200     0.600     0.600 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.44094E-02 ppm1      7.408 ppm2      1.693 CV     1
 ASSI { 3178}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.600     2.600     1.400 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.48169E-03 ppm1      7.407 ppm2      1.135 CV     1
 ASSI { 3180}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      5.600     3.900     0.400 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.16307E-03 ppm1      7.411 ppm2      0.565 CV     1
 ASSI { 3181}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      6.000     6.000     0.000 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.32560E-04 ppm1      7.414 ppm2      0.424 CV     1
 ASSI { 3183}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      1.800     0.400     0.400 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.16897E-01 ppm1      7.409 ppm2      7.354 CV     1
 ASSI { 3188}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.63298E-03 ppm1      7.402 ppm2      8.627 CV     1
 ASSI { 3190}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      3.900     1.900     1.900 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.10943E-02 ppm1      7.312 ppm2      0.555 CV     1
 ASSI { 3192}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.34545E-02 ppm1      7.312 ppm2      1.140 CV     1
 ASSI { 3195}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      4.000     2.000     2.000 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.59004E-03 ppm1      7.312 ppm2      1.891 CV     1
 ASSI { 3196}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.800     1.800     1.800 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.40823E-03 ppm1      7.313 ppm2      2.109 CV     1
 OR { 3196}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI { 3200}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.45541E-03 ppm1      7.314 ppm2      3.901 CV     1
 ASSI { 3209}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.700     1.700     1.700 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.56862E-03 ppm1      7.312 ppm2      7.846 CV     1
 ASSI { 3235}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.900     1.900     1.900 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.35350E-03 ppm1      7.895 ppm2      8.356 CV     1
 ASSI { 3241}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 109  and name HD21))
      2.800     0.900     0.900 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.18506E-02 ppm1      7.890 ppm2      7.379 CV     1
 ASSI { 3246}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      3.200     1.300     1.300 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.99237E-03 ppm1      7.891 ppm2      4.225 CV     1
 ASSI { 3248}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      7.890 ppm2      3.627 CV     1
 ASSI { 3250}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.700     0.000 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.33848E-04 ppm1      7.891 ppm2      2.876 CV     1
 ASSI { 3256}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.900     1.000     1.000 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      7.892 ppm2      1.775 CV     1
 ASSI { 3257}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      3.200     1.300     1.300 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.15985E-02 ppm1      7.891 ppm2      1.694 CV     1
 ASSI { 3269}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      4.000     2.000     2.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.52891E-03 ppm1      8.210 ppm2      9.022 CV     1
 ASSI { 3271}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.700     2.800     1.300 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.13410E-03 ppm1      8.259 ppm2      6.862 CV     1
 ASSI { 3285}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.33473E-04 ppm1      8.244 ppm2      0.609 CV     1
 ASSI { 3292}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.400     1.400 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.75100E-03 ppm1      8.432 ppm2      4.692 CV     1
 ASSI { 3293}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.400     0.700     0.700 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1      8.433 ppm2      4.600 CV     1
 ASSI { 3294}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.300     1.300     1.300 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.60080E-03 ppm1      8.434 ppm2      4.379 CV     1
 ASSI { 3295}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      5.800     4.200     0.200 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.29825E-04 ppm1      8.438 ppm2      4.123 CV     1
 ASSI { 3296}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 107  and name HD3 ))
      3.400     1.400     1.400 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.90120E-03 ppm1      8.434 ppm2      3.668 CV     1
 OR { 3296}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 107  and name HD2 ))
 ASSI { 3297}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      3.700     1.700     1.700 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.45165E-03 ppm1      8.431 ppm2      2.587 CV     1
 ASSI { 3298}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      4.700     2.700     1.300 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.40714E-03 ppm1      8.433 ppm2      2.217 CV     1
 ASSI { 3305}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.000     1.100     1.100 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.28806E-02 ppm1      8.433 ppm2      0.690 CV     1
 ASSI { 3308}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
      3.400     1.400     1.400 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.18614E-02 ppm1      8.772 ppm2      0.530 CV     1
 ASSI { 3312}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG  ))
      3.000     1.100     1.100 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.17326E-02 ppm1      8.775 ppm2      1.177 CV     1
 ASSI { 3314}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.600     1.600     1.600 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.14376E-03 ppm1      8.778 ppm2      1.645 CV     1
 OR { 3314}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 3322}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      5.100     3.300     0.900 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.10782E-03 ppm1      8.769 ppm2      5.156 CV     1
 ASSI { 3323}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     5.200     0.000 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.25694E-04 ppm1      8.769 ppm2      5.317 CV     1
 ASSI { 3324}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      5.200     3.300     0.800 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.10889E-03 ppm1      8.773 ppm2      7.525 CV     1
 ASSI { 3326}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.75100E-03 ppm1      8.771 ppm2      8.261 CV     1
 ASSI { 3331}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.800     1.800     1.800 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.99237E-04 ppm1      8.780 ppm2      8.958 CV     1
 ASSI { 3335}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     5.400     0.000 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.15878E-04 ppm1      7.528 ppm2      7.790 CV     1
 ASSI { 3348}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     6.000     0.000 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.12284E-04 ppm1      7.521 ppm2      3.051 CV     1
 ASSI { 3353}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 105  and name HD2 ))
      4.400     2.400     1.600 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.17434E-03 ppm1      7.526 ppm2      1.458 CV     1
 ASSI { 3361}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.19579E-02 ppm1      8.750 ppm2      9.427 CV     1
 ASSI { 3362}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      5.100     3.200     0.900 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.11801E-03 ppm1      8.748 ppm2      7.522 CV     1
 ASSI { 3366}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      4.300     2.300     1.700 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.35511E-03 ppm1      8.751 ppm2      5.468 CV     1
 ASSI { 3387}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.000     1.100     1.100 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.29020E-02 ppm1      8.812 ppm2      1.822 CV     1
 OR { 3387}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
 ASSI { 3388}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.77780E-03 ppm1      8.812 ppm2      4.643 CV     1
 ASSI { 3391}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.900     1.900     1.900 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.52996E-03 ppm1      8.812 ppm2      5.001 CV     1
 ASSI { 3399}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.300     1.400     1.400 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      9.049 ppm2      8.812 CV     1
 ASSI { 3403}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.700     1.700     1.700 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.44470E-03 ppm1      9.044 ppm2      2.361 CV     1
 ASSI { 3405}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      2.600     2.600     3.400 peak  3405 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      9.045 ppm2      0.942 CV     1
 ASSI { 3407}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      3.600     1.600     1.600 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.47688E-03 ppm1      8.703 ppm2      9.216 CV     1
 ASSI { 3408}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.500     2.600     1.500 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.22101E-03 ppm1      8.691 ppm2      9.040 CV     1
 ASSI { 3413}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.100     0.600     0.600 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.60614E-02 ppm1      8.702 ppm2      4.732 CV     1
 ASSI { 3414}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak  3414 spectrum    1 weight  0.10000E+01 volume  0.10192E-02 ppm1      8.704 ppm2      3.393 CV     1
 ASSI { 3415}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.900     3.900     2.100 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.91191E-04 ppm1      8.700 ppm2      3.052 CV     1
 ASSI { 3419}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.600     0.800     0.800 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.32131E-02 ppm1      8.705 ppm2      2.331 CV     1
 ASSI { 3422}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 101  and name HG12))
      3.100     1.200     1.200 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.70806E-03 ppm1      8.703 ppm2      0.891 CV     1
 ASSI { 3431}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.900     0.000 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.26499E-04 ppm1      7.825 ppm2      8.000 CV     1
 ASSI { 3451}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.200     0.600     0.600 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.62760E-02 ppm1      8.266 ppm2      4.166 CV     1
 ASSI { 3452}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak  3452 spectrum    1 weight  0.10000E+01 volume  0.25051E-02 ppm1      8.266 ppm2      3.791 CV     1
 ASSI { 3453}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.000     2.000     2.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.26606E-03 ppm1      8.264 ppm2      2.195 CV     1
 OR { 3453}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 OR { 3453}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 124  and name HB3 ))
 ASSI { 3460}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG2 ))
      3.400     1.500     1.500 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.11265E-02 ppm1      8.267 ppm2      1.135 CV     1
 ASSI { 3468}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      5.300     3.500     0.700 peak  3468 spectrum    1 weight  0.10000E+01 volume  0.65441E-04 ppm1      6.893 ppm2      4.483 CV     1
 ASSI { 3472}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.44146E-03 ppm1      6.887 ppm2      7.346 CV     1
 ASSI { 3474}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HD21))
      1.800     0.400     0.400 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.77780E-02 ppm1      6.886 ppm2      8.606 CV     1
 ASSI { 3482}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.400     2.400     1.600 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.22637E-03 ppm1      8.023 ppm2      4.335 CV     1
 ASSI { 3483}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.600     2.700     1.400 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.23334E-03 ppm1      8.025 ppm2      3.791 CV     1
 ASSI { 3485}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      5.700     4.100     0.300 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.79927E-04 ppm1      8.020 ppm2      3.183 CV     1
 ASSI { 3486}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      5.300     3.600     0.700 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.40766E-04 ppm1      8.021 ppm2      2.859 CV     1
 ASSI { 3488}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HG2 ))
      6.000     6.000     0.000 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.11801E-04 ppm1      8.027 ppm2      1.331 CV     1
 OR { 3488}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HG3 ))
 ASSI { 3492}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      5.800     4.300     0.200 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.33848E-04 ppm1      8.261 ppm2      1.936 CV     1
 ASSI { 3502}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     6.000     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.20062E-04 ppm1      8.346 ppm2      8.780 CV     1
 ASSI { 3511}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      5.800     4.200     0.200 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.26392E-04 ppm1      8.353 ppm2      2.759 CV     1
 ASSI { 3533}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      3.300     3.300     2.700 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.90654E-03 ppm1      8.049 ppm2      0.556 CV     1
 ASSI { 3536}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.000     1.100     1.100 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.14483E-02 ppm1      8.080 ppm2      0.704 CV     1
 ASSI { 3543}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB  ))
      3.200     1.300     1.300 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.75100E-03 ppm1      8.049 ppm2      1.212 CV     1
 ASSI { 3545}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.84217E-03 ppm1      8.050 ppm2      3.399 CV     1
 ASSI { 3547}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.300     1.300     1.300 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      8.088 ppm2      4.305 CV     1
 ASSI { 3549}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      3.700     1.700     1.700 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.68126E-03 ppm1      8.111 ppm2      1.917 CV     1
 ASSI { 3550}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 128  and name HB3 ))
      5.100     3.300     0.900 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.63298E-04 ppm1      8.094 ppm2      1.828 CV     1
 ASSI { 3551}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.800     1.000     1.000 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.36047E-02 ppm1      8.114 ppm2      1.615 CV     1
 ASSI { 3553}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HB% )
      2.200     0.600     0.600 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.70273E-02 ppm1      8.110 ppm2      1.144 CV     1
 ASSI { 3556}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.700     0.900     0.900 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.13142E-02 ppm1      9.219 ppm2      3.395 CV     1
 ASSI { 3562}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HG12))
      2.600     0.800     0.800 peak  3562 spectrum    1 weight  0.10000E+01 volume  0.15341E-02 ppm1      9.221 ppm2      0.863 CV     1
 ASSI { 3590}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      4.400     2.400     1.600 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.22369E-03 ppm1      9.468 ppm2      1.488 CV     1
 OR { 3590}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI { 3592}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
      5.700     4.100     0.300 peak  3592 spectrum    1 weight  0.10000E+01 volume  0.34062E-04 ppm1      9.476 ppm2      1.743 CV     1
 ASSI { 3594}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      5.100     3.300     0.900 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.79390E-04 ppm1      9.492 ppm2      0.839 CV     1
 OR { 3594}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI { 3600}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.800     1.800     1.800 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.61689E-03 ppm1      8.530 ppm2      9.472 CV     1
 ASSI { 3606}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 124  and name HE22))
      3.800     1.800     1.800 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.79927E-03 ppm1      8.531 ppm2      6.769 CV     1
 ASSI { 3608}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.200     0.600     0.600 peak  3608 spectrum    1 weight  0.10000E+01 volume  0.52249E-02 ppm1      8.530 ppm2      5.466 CV     1
 ASSI { 3609}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.200     1.300     1.300 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.14644E-02 ppm1      8.532 ppm2      4.915 CV     1
 ASSI { 3616}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HG3 ))
      2.500     0.800     0.800 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.46026E-02 ppm1      8.530 ppm2      1.813 CV     1
 OR { 3616}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
 OR { 3616}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 3619}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      4.200     2.200     1.800 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.18399E-03 ppm1      8.527 ppm2      1.103 CV     1
 OR { 3619}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
 ASSI { 3623}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      3.200     1.300     1.300 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.91191E-03 ppm1      8.529 ppm2      0.386 CV     1
 ASSI { 3627}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 124  and name HE22))
      3.500     1.500     1.500 peak  3627 spectrum    1 weight  0.10000E+01 volume  0.76171E-03 ppm1      7.795 ppm2      6.778 CV     1
 ASSI { 3628}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.300     1.300     1.300 peak  3628 spectrum    1 weight  0.10000E+01 volume  0.61689E-03 ppm1      7.795 ppm2      5.148 CV     1
 ASSI { 3629}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.30629E-02 ppm1      7.796 ppm2      4.684 CV     1
 ASSI { 3634}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG3 ))
      2.800     1.000     1.000 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.18614E-02 ppm1      7.796 ppm2      1.187 CV     1
 OR { 3634}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 OR { 3634}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG2 ))
 ASSI { 3645}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      4.200     2.200     1.800 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.41413E-03 ppm1      9.279 ppm2      2.075 CV     1
 ASSI { 3647}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.300     1.300     1.300 peak  3647 spectrum    1 weight  0.10000E+01 volume  0.95481E-03 ppm1      9.274 ppm2      4.118 CV     1
 ASSI { 3652}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      4.600     2.600     1.400 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.20438E-03 ppm1      9.276 ppm2      7.809 CV     1
 ASSI { 3653}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.11801E-02 ppm1      9.274 ppm2      8.441 CV     1
 ASSI { 3663}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      5.400     3.600     0.600 peak  3663 spectrum    1 weight  0.10000E+01 volume  0.75634E-04 ppm1      8.711 ppm2      3.636 CV     1
 ASSI { 3666}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HG2 ))
      3.400     1.400     1.400 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.16361E-02 ppm1      8.718 ppm2      1.826 CV     1
 ASSI { 3671}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      3.600     1.600     1.600 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.10943E-02 ppm1      8.338 ppm2      1.178 CV     1
 ASSI { 3678}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
      2.400     0.700     0.700 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.55253E-02 ppm1      8.337 ppm2      3.026 CV     1
 OR { 3678}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 3679}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      3.700     1.700     1.700 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.40070E-03 ppm1      8.335 ppm2      3.394 CV     1
 ASSI { 3698}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      4.100     2.100     1.900 peak  3698 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      7.521 ppm2      3.657 CV     1
 ASSI { 3699}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
      3.700     1.700     1.700 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.38676E-03 ppm1      7.520 ppm2      3.018 CV     1
 OR { 3699}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 3700}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 107  and name HG3 ))
      2.700     2.700     3.300 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.76171E-02 ppm1      7.524 ppm2      2.295 CV     1
 ASSI { 3702}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 107  and name HG2 ))
      4.800     2.800     1.200 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.10353E-03 ppm1      7.523 ppm2      1.819 CV     1
 ASSI { 3704}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 80   and name HG  ))
      4.100     2.100     1.900 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.60614E-04 ppm1      7.507 ppm2      1.316 CV     1
 ASSI { 3713}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HG2 ))
      3.100     3.100     2.900 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.35618E-03 ppm1      6.947 ppm2      1.840 CV     1
 ASSI { 3717}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.600     1.600     1.600 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.55786E-03 ppm1      6.960 ppm2      4.543 CV     1
 ASSI { 3722}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.500     2.500     1.500 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.36798E-04 ppm1      6.956 ppm2      8.703 CV     1
 ASSI { 3729}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB  ))
      3.900     1.900     1.900 peak  3729 spectrum    1 weight  0.10000E+01 volume  0.69735E-03 ppm1      8.374 ppm2      3.978 CV     1
 ASSI { 3736}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      4.900     3.000     1.100 peak  3736 spectrum    1 weight  0.10000E+01 volume  0.16951E-03 ppm1      8.345 ppm2      1.377 CV     1
 ASSI { 3752}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      5.000     3.100     1.000 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.14430E-03 ppm1      8.390 ppm2      7.513 CV     1
 ASSI { 3782}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     2.700     3.300 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.31273E-02 ppm1      8.472 ppm2      4.695 CV     1
 ASSI { 3792}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.400     1.600 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.12338E-03 ppm1      8.551 ppm2      5.137 CV     1
 ASSI { 3793}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     4.800     0.000 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.16897E-04 ppm1      8.547 ppm2      4.825 CV     1
 ASSI { 3799}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.200     2.200     3.800 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.18614E-01 ppm1      8.534 ppm2      3.797 CV     1
 ASSI { 3800}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.900     1.900     1.900 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.36959E-03 ppm1      8.551 ppm2      2.760 CV     1
 ASSI { 3805}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      5.600     3.900     0.400 peak  3805 spectrum    1 weight  0.10000E+01 volume  0.95481E-05 ppm1      8.385 ppm2      0.389 CV     1
 ASSI { 3806}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      4.200     2.200     1.800 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.51658E-04 ppm1      8.367 ppm2      0.524 CV     1
 ASSI { 3816}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.400     0.700     0.700 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.43237E-02 ppm1      8.366 ppm2      4.689 CV     1
 ASSI { 3818}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      5.500     3.700     0.500 peak  3818 spectrum    1 weight  0.10000E+01 volume  0.10246E-03 ppm1      8.352 ppm2      6.959 CV     1
 ASSI { 3823}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.800     4.200     0.200 peak  3823 spectrum    1 weight  0.10000E+01 volume  0.44041E-04 ppm1      8.375 ppm2      9.495 CV     1
 ASSI { 3827}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     6.000     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.13786E-04 ppm1      8.033 ppm2      8.346 CV     1
 ASSI { 3831}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.600     0.900     0.900 peak  3831 spectrum    1 weight  0.10000E+01 volume  0.17112E-02 ppm1      8.052 ppm2      4.763 CV     1
 ASSI { 3833}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.500     1.500     1.500 peak  3833 spectrum    1 weight  0.10000E+01 volume  0.15127E-02 ppm1      8.031 ppm2      3.766 CV     1
 ASSI { 3846}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
      3.700     1.700     1.700 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.43503E-03 ppm1      8.243 ppm2      0.372 CV     1
 OR { 3846}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
 ASSI { 3851}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB3 ))
      2.800     1.000     1.000 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.20330E-02 ppm1      8.211 ppm2      2.863 CV     1
 OR { 3851}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
 ASSI { 3852}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
      3.400     1.500     1.500 peak  3852 spectrum    1 weight  0.10000E+01 volume  0.99775E-03 ppm1      8.243 ppm2      3.706 CV     1
 ASSI { 3853}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.200     1.200     1.200 peak  3853 spectrum    1 weight  0.10000E+01 volume  0.83679E-03 ppm1      8.212 ppm2      4.586 CV     1
 ASSI { 3869}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.900     1.000     1.000 peak  3869 spectrum    1 weight  0.10000E+01 volume  0.12284E-02 ppm1      9.022 ppm2      4.454 CV     1
 ASSI { 3882}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.200     2.200     1.800 peak  3882 spectrum    1 weight  0.10000E+01 volume  0.55253E-04 ppm1      8.364 ppm2      9.122 CV     1
 ASSI { 3890}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.400     0.700     0.700 peak  3890 spectrum    1 weight  0.10000E+01 volume  0.31005E-02 ppm1      8.357 ppm2      4.113 CV     1
 ASSI { 3896}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB3 ))
      2.900     1.000     1.000 peak  3896 spectrum    1 weight  0.10000E+01 volume  0.94410E-03 ppm1      8.356 ppm2      1.636 CV     1
 OR { 3896}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 3897}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.500     1.500     1.500 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.99775E-03 ppm1      8.358 ppm2      1.306 CV     1
 ASSI { 3903}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
      3.000     1.100     1.100 peak  3903 spectrum    1 weight  0.10000E+01 volume  0.19043E-02 ppm1      8.438 ppm2      0.694 CV     1
 OR { 3903}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 123  and name HD1%)
 ASSI { 3904}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      3.500     1.500     1.500 peak  3904 spectrum    1 weight  0.10000E+01 volume  0.73491E-03 ppm1      8.437 ppm2      0.877 CV     1
 OR { 3904}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI { 3908}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HB2 ))
      3.900     1.900     1.900 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.35618E-03 ppm1      8.438 ppm2      2.408 CV     1
 ASSI { 3915}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      3.800     1.800     1.800 peak  3915 spectrum    1 weight  0.10000E+01 volume  0.66516E-03 ppm1      8.431 ppm2      8.182 CV     1
 ASSI { 3920}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 3    and name HG  ))
      3.500     1.600     1.600 peak  3920 spectrum    1 weight  0.10000E+01 volume  0.49297E-03 ppm1      9.061 ppm2      1.383 CV     1
 ASSI { 3922}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
      3.700     1.700     1.700 peak  3922 spectrum    1 weight  0.10000E+01 volume  0.31273E-03 ppm1      9.060 ppm2      1.767 CV     1
 ASSI { 3928}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.300     0.600     0.600 peak  3928 spectrum    1 weight  0.10000E+01 volume  0.45060E-02 ppm1      9.062 ppm2      4.090 CV     1
 ASSI { 3945}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      4.400     2.400     1.600 peak  3945 spectrum    1 weight  0.10000E+01 volume  0.17863E-03 ppm1      8.533 ppm2      4.322 CV     1
 ASSI { 3946}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.400     0.700     0.700 peak  3946 spectrum    1 weight  0.10000E+01 volume  0.36047E-02 ppm1      8.536 ppm2      4.194 CV     1
 ASSI { 3947}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      4.700     2.800     1.300 peak  3947 spectrum    1 weight  0.10000E+01 volume  0.15610E-03 ppm1      8.535 ppm2      4.067 CV     1
 ASSI { 3952}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG3 ))
      3.000     1.100     1.100 peak  3952 spectrum    1 weight  0.10000E+01 volume  0.18560E-02 ppm1      8.537 ppm2      2.510 CV     1
 ASSI { 3958}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 3    and name HD2%)
      2.800     1.000     1.000 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.22476E-02 ppm1      8.536 ppm2      0.761 CV     1
 OR { 3958}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI { 3974}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      5.600     4.000     0.400 peak  3974 spectrum    1 weight  0.10000E+01 volume  0.94410E-05 ppm1      8.633 ppm2      9.221 CV     1
 ASSI { 3976}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      4.100     2.100     1.900 peak  3976 spectrum    1 weight  0.10000E+01 volume  0.61689E-04 ppm1      8.639 ppm2      9.064 CV     1
 ASSI { 3991}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG3 ))
      3.500     1.500     1.500 peak  3991 spectrum    1 weight  0.10000E+01 volume  0.85292E-03 ppm1      7.883 ppm2      1.301 CV     1
 OR { 3991}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG2 ))
 ASSI { 3992}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      3.200     1.300     1.300 peak  3992 spectrum    1 weight  0.10000E+01 volume  0.11158E-02 ppm1      7.884 ppm2      1.611 CV     1
 ASSI {   23}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.200     1.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.87682E-03 ppm1      8.319 ppm2      4.694 CV     1
 ASSI {   39}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     0.500     0.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.95853E-02 ppm1      8.322 ppm2      4.373 CV     1
 ASSI {   51}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      2.100     2.100     3.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.47001E-02 ppm1      8.322 ppm2      1.371 CV     1
 ASSI {   52}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      5.200     3.300     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.10130E-03 ppm1      8.319 ppm2      0.894 CV     1
 ASSI {   72}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.900     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.17537E-02 ppm1      8.747 ppm2      5.331 CV     1
 ASSI {   81}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 123  and name HB3 ))
      2.100     2.100     3.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.17700E-01 ppm1      8.756 ppm2      1.651 CV     1
 ASSI {   82}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.13180E-02 ppm1      8.746 ppm2      1.547 CV     1
 ASSI {   83}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.400     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.60453E-02 ppm1      8.745 ppm2      1.290 CV     1
 ASSI {   84}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      3.200     1.200     1.200 peak    84 spectrum    1 weight  0.10000E+01 volume  0.22819E-02 ppm1      8.745 ppm2      0.923 CV     1
 ASSI {   85}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 123  and name HD2%)
      3.400     1.400     1.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.87139E-03 ppm1      8.747 ppm2      0.698 CV     1
 ASSI {   92}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.100     0.600     0.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.55008E-02 ppm1      9.058 ppm2      5.329 CV     1
 ASSI {   99}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.300     1.300     1.300 peak    99 spectrum    1 weight  0.10000E+01 volume  0.19388E-02 ppm1      9.057 ppm2      1.368 CV     1
 ASSI {  104}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.55008E-03 ppm1      8.942 ppm2      9.081 CV     1
 ASSI {  115}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      4.000     2.000     2.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.34312E-03 ppm1      8.948 ppm2      2.064 CV     1
 ASSI {  119}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      3.800     1.800     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.74613E-03 ppm1      8.946 ppm2      1.530 CV     1
 ASSI {  123}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      4.700     2.700     1.300 peak   123 spectrum    1 weight  0.10000E+01 volume  0.31642E-03 ppm1      8.943 ppm2      0.704 CV     1
 ASSI {  141}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      5.100     3.200     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.74066E-04 ppm1      8.447 ppm2      1.960 CV     1
 ASSI {  143}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
      3.400     1.400     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.58819E-03 ppm1      8.453 ppm2      1.743 CV     1
 ASSI {  154}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.29464E-02 ppm1      9.483 ppm2      5.397 CV     1
 ASSI {  160}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 24   and name HG12))
      4.600     2.600     1.400 peak   160 spectrum    1 weight  0.10000E+01 volume  0.23745E-03 ppm1      9.489 ppm2      1.275 CV     1
 ASSI {  191}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.27122E-02 ppm1      8.675 ppm2      9.026 CV     1
 ASSI {  210}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.200     2.200     1.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.30008E-03 ppm1      8.675 ppm2      0.826 CV     1
 ASSI {  227}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.600     1.700     1.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.62631E-03 ppm1      8.896 ppm2      1.762 CV     1
 ASSI {  229}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.200     2.200     1.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.25379E-03 ppm1      8.898 ppm2      1.206 CV     1
 ASSI {  239}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.44222E-02 ppm1      8.016 ppm2      4.587 CV     1
 ASSI {  241}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.600     2.600     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.20804E-03 ppm1      8.016 ppm2      2.501 CV     1
 ASSI {  245}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      5.000     3.100     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.16992E-03 ppm1      8.015 ppm2      1.635 CV     1
 ASSI {  246}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.400     1.500     1.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.76247E-03 ppm1      8.014 ppm2      1.373 CV     1
 ASSI {  267}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      5.300     3.500     0.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.10021E-03 ppm1      8.541 ppm2      2.114 CV     1
 ASSI {  268}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      5.200     3.400     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.16447E-03 ppm1      8.542 ppm2      2.029 CV     1
 ASSI {  276}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      4.700     2.700     1.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.28156E-03 ppm1      8.308 ppm2      4.696 CV     1
 ASSI {  280}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.000     2.000     2.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.52557E-03 ppm1      8.307 ppm2      3.194 CV     1
 ASSI {  282}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.600     1.600     1.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      8.305 ppm2      2.490 CV     1
 ASSI {  283}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 107  and name HB3 ))
      4.600     2.600     1.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.23745E-03 ppm1      8.307 ppm2      2.405 CV     1
 ASSI {  288}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      3.200     1.300     1.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.15031E-02 ppm1      8.300 ppm2      2.603 CV     1
 ASSI {  298}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.18898E-02 ppm1      7.350 ppm2      4.151 CV     1
 ASSI {  302}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 17   and name HB3 ))
      2.700     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.23364E-02 ppm1      7.351 ppm2      2.485 CV     1
 ASSI {  305}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 76   and name HB2 ))
      3.900     1.900     1.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.52502E-03 ppm1      7.351 ppm2      1.738 CV     1
 ASSI {  306}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 76   and name HG2 ))
      2.500     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.43515E-02 ppm1      7.351 ppm2      2.022 CV     1
 ASSI {  325}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      1.500     1.500     4.500 peak   325 spectrum    1 weight  0.10000E+01 volume  0.69711E-01 ppm1      7.693 ppm2      4.564 CV     1
 ASSI {  337}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.98577E-03 ppm1      6.757 ppm2      4.575 CV     1
 ASSI {  342}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      6.755 ppm2      2.606 CV     1
 ASSI {  348}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      3.100     3.100     2.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.15903E-02 ppm1      6.756 ppm2      1.644 CV     1
 ASSI {  360}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.500     1.500 peak   360 spectrum    1 weight  0.10000E+01 volume  0.98030E-03 ppm1      9.056 ppm2      5.219 CV     1
 ASSI {  362}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   362 spectrum    1 weight  0.10000E+01 volume  0.22547E-02 ppm1      9.043 ppm2      4.645 CV     1
 ASSI {  369}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      2.500     0.800     0.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.38722E-02 ppm1      9.046 ppm2      1.650 CV     1
 ASSI {  371}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.800     2.900     1.200 peak   371 spectrum    1 weight  0.10000E+01 volume  0.10402E-03 ppm1      9.054 ppm2      1.188 CV     1
 ASSI {  384}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      2.400     0.700     0.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.39320E-02 ppm1      9.037 ppm2      2.374 CV     1
 ASSI {  387}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      4.400     2.400     1.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.28320E-03 ppm1      9.031 ppm2      1.821 CV     1
 ASSI {  390}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      2.600     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.39758E-02 ppm1      9.030 ppm2      1.355 CV     1
 ASSI {  392}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.20532E-03 ppm1      9.026 ppm2      1.092 CV     1
 ASSI {  394}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 101  and name HG12))
      2.700     2.700     3.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.31479E-02 ppm1      9.041 ppm2      0.915 CV     1
 ASSI {  403}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      4.200     2.200     1.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.30335E-03 ppm1      9.070 ppm2      1.824 CV     1
 ASSI {  404}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.000     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.17373E-02 ppm1      9.067 ppm2      1.611 CV     1
 ASSI {  421}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 123  and name HG  ))
      5.700     4.100     0.300 peak   421 spectrum    1 weight  0.10000E+01 volume  0.36107E-04 ppm1      9.473 ppm2      1.544 CV     1
 ASSI {  441}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      5.000     3.200     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17863E-03 ppm1      8.828 ppm2      1.698 CV     1
 ASSI {  446}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 20   and name HD2%)
      4.000     2.000     2.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.37471E-03 ppm1      8.827 ppm2      0.652 CV     1
 ASSI {  503}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HG2 ))
      4.900     3.000     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.13343E-03 ppm1      9.184 ppm2      1.792 CV     1
 ASSI {  504}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      5.200     3.400     0.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.92041E-04 ppm1      9.186 ppm2      1.691 CV     1
 ASSI {  505}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      2.800     1.000     1.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.16992E-02 ppm1      9.185 ppm2      1.532 CV     1
 ASSI {  507}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.800     1.800     1.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.47111E-03 ppm1      9.178 ppm2      1.278 CV     1
 ASSI {  508}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.93675E-03 ppm1      9.184 ppm2      0.859 CV     1
 ASSI {  511}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     2.700     3.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.77334E-03 ppm1      9.122 ppm2      8.964 CV     1
 ASSI {  521}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
      5.100     3.200     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.21948E-03 ppm1      9.117 ppm2      3.659 CV     1
 ASSI {  522}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.800     1.800     1.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.68077E-03 ppm1      9.119 ppm2      1.986 CV     1
 ASSI {  542}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      4.600     2.600     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.19116E-03 ppm1      8.451 ppm2      1.551 CV     1
 ASSI {  545}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
      4.700     2.800     1.300 peak   545 spectrum    1 weight  0.10000E+01 volume  0.15413E-03 ppm1      8.449 ppm2      0.840 CV     1
 ASSI {  553}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      5.700     4.000     0.300 peak   553 spectrum    1 weight  0.10000E+01 volume  0.49777E-04 ppm1      7.951 ppm2      8.297 CV     1
 ASSI {  560}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.36924E-02 ppm1      7.950 ppm2      4.341 CV     1
 ASSI {  568}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      4.000     2.000     2.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.35618E-03 ppm1      7.949 ppm2      2.089 CV     1
 ASSI {  569}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      2.800     2.800     3.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.56639E-02 ppm1      7.945 ppm2      1.947 CV     1
 ASSI {  571}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.300     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.16339E-02 ppm1      7.944 ppm2      1.449 CV     1
 ASSI {  583}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.900     2.900     3.100 peak   583 spectrum    1 weight  0.10000E+01 volume  0.19552E-02 ppm1      8.134 ppm2      1.478 CV     1
 ASSI {  588}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      4.300     2.300     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.47709E-03 ppm1      7.992 ppm2      3.951 CV     1
 ASSI {  590}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HA1 ))
      5.700     4.000     0.300 peak   590 spectrum    1 weight  0.10000E+01 volume  0.50376E-04 ppm1      7.989 ppm2      3.852 CV     1
 ASSI {  603}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.900     2.900     3.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.10783E-02 ppm1      8.350 ppm2      2.762 CV     1
 ASSI {  605}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      2.800     1.000     1.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.36654E-02 ppm1      8.346 ppm2      1.468 CV     1
 ASSI {  616}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.500     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.36869E-02 ppm1      8.511 ppm2      2.023 CV     1
 ASSI {  617}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.400     3.400     2.600 peak   617 spectrum    1 weight  0.10000E+01 volume  0.56639E-03 ppm1      8.515 ppm2      1.504 CV     1
 ASSI {  647}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.800     2.900     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.98030E-04 ppm1      7.506 ppm2      4.087 CV     1
 ASSI {  680}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.400     1.400     1.400 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      8.704 ppm2      0.923 CV     1
 ASSI {  687}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.69711E-03 ppm1      8.314 ppm2      4.157 CV     1
 ASSI {  691}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.400     0.700     0.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.60997E-02 ppm1      8.331 ppm2      1.517 CV     1
 ASSI {  700}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      4.000     2.000     2.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.60997E-03 ppm1      9.412 ppm2      1.465 CV     1
 ASSI {  713}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.900     1.100     1.100 peak   713 spectrum    1 weight  0.10000E+01 volume  0.18190E-02 ppm1      8.859 ppm2      1.712 CV     1
 ASSI {  715}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.300     2.300     1.700 peak   715 spectrum    1 weight  0.10000E+01 volume  0.22928E-03 ppm1      8.862 ppm2      0.899 CV     1
 ASSI {  726}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.000     3.000     3.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.37361E-03 ppm1      8.265 ppm2      3.802 CV     1
 ASSI {  732}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 85   and name HG  ))
      3.200     3.200     2.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12417E-02 ppm1      8.265 ppm2      1.144 CV     1
 ASSI {  734}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      4.900     3.100     1.100 peak   734 spectrum    1 weight  0.10000E+01 volume  0.52663E-04 ppm1      8.262 ppm2      0.791 CV     1
 ASSI {  746}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.700     1.700     1.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.60453E-03 ppm1      9.136 ppm2      1.258 CV     1
 ASSI {  747}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.20151E-02 ppm1      9.137 ppm2      0.895 CV     1
 ASSI {  782}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      5.100     3.200     0.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.94762E-04 ppm1      8.319 ppm2      4.157 CV     1
 ASSI {  784}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HE2 ))
      4.200     2.200     1.800 peak   784 spectrum    1 weight  0.10000E+01 volume  0.22111E-03 ppm1      8.330 ppm2      2.851 CV     1
 ASSI {  786}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.500     2.500     1.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.25107E-03 ppm1      8.332 ppm2      1.774 CV     1
 ASSI {  798}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak   798 spectrum    1 weight  0.10000E+01 volume  0.58819E-02 ppm1      8.101 ppm2      3.948 CV     1
 ASSI {  799}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.500     1.500     1.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.68620E-03 ppm1      8.100 ppm2      2.885 CV     1
 ASSI {  804}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.200     1.300     1.300 peak   804 spectrum    1 weight  0.10000E+01 volume  0.11927E-02 ppm1      8.101 ppm2      1.291 CV     1
 ASSI {  809}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.600     1.600     1.600 peak   809 spectrum    1 weight  0.10000E+01 volume  0.41717E-03 ppm1      7.434 ppm2      3.941 CV     1
 ASSI {  810}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      4.000     2.000     2.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.27939E-03 ppm1      7.437 ppm2      1.748 CV     1
 ASSI {  832}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
      5.000     3.200     1.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.14541E-03 ppm1      8.510 ppm2      3.843 CV     1
 ASSI {  834}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HB2 ))
      6.000     6.000     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.66986E-05 ppm1      8.511 ppm2      2.497 CV     1
 ASSI {  855}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     3.300     2.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.19497E-03 ppm1      8.780 ppm2      4.700 CV     1
 ASSI {  887}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      3.800     1.800     1.800 peak   887 spectrum    1 weight  0.10000E+01 volume  0.41173E-03 ppm1      8.255 ppm2      1.845 CV     1
 ASSI {  888}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG  ))
      3.300     1.400     1.400 peak   888 spectrum    1 weight  0.10000E+01 volume  0.11818E-02 ppm1      8.255 ppm2      1.542 CV     1
 ASSI {  892}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      5.300     3.500     0.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.46345E-04 ppm1      8.251 ppm2      0.700 CV     1
 ASSI {  912}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      2.500     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.42154E-02 ppm1      8.158 ppm2      1.627 CV     1
 ASSI {  918}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.400     2.400     1.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.21403E-03 ppm1      9.598 ppm2      4.685 CV     1
 ASSI {  924}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      3.500     1.500     1.500 peak   924 spectrum    1 weight  0.10000E+01 volume  0.16393E-02 ppm1      9.603 ppm2      1.636 CV     1
 ASSI {  936}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.400     1.400 peak   936 spectrum    1 weight  0.10000E+01 volume  0.95853E-03 ppm1      8.446 ppm2      4.467 CV     1
 ASSI {  941}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      6.000     6.000     0.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.40247E-06 ppm1      8.440 ppm2      2.004 CV     1
 ASSI {  942}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      4.100     2.100     1.900 peak   942 spectrum    1 weight  0.10000E+01 volume  0.45911E-03 ppm1      8.449 ppm2      1.855 CV     1
 ASSI {  944}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      4.600     2.600     1.400 peak   944 spectrum    1 weight  0.10000E+01 volume  0.21512E-03 ppm1      8.447 ppm2      1.417 CV     1
 ASSI {  963}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 29   and name HG  ))
      3.800     1.800     1.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.52447E-03 ppm1      8.297 ppm2      1.651 CV     1
 ASSI {  965}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.92584E-03 ppm1      8.298 ppm2      1.425 CV     1
 ASSI {  968}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      3.200     3.200     2.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.24018E-03 ppm1      8.301 ppm2      0.704 CV     1
 ASSI {  974}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
      2.900     1.100     1.100 peak   974 spectrum    1 weight  0.10000E+01 volume  0.24726E-02 ppm1      8.136 ppm2      1.734 CV     1
 ASSI {  975}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.500     1.500     1.500 peak   975 spectrum    1 weight  0.10000E+01 volume  0.68077E-03 ppm1      8.137 ppm2      1.603 CV     1
 ASSI {  997}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   997 spectrum    1 weight  0.10000E+01 volume  0.19824E-02 ppm1      8.171 ppm2      9.036 CV     1
 ASSI { 1002}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.300     0.600     0.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.55551E-02 ppm1      8.176 ppm2      4.448 CV     1
 ASSI { 1006}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      3.700     1.700     1.700 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.69167E-03 ppm1      8.165 ppm2      2.102 CV     1
 ASSI { 1024}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.39594E-03 ppm1      7.761 ppm2      1.657 CV     1
 ASSI { 1029}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.57729E-02 ppm1      8.976 ppm2      5.219 CV     1
 ASSI { 1036}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.500     1.500     1.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.59907E-03 ppm1      8.975 ppm2      2.129 CV     1
 ASSI { 1038}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
      4.200     2.200     1.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.19171E-03 ppm1      8.974 ppm2      1.638 CV     1
 ASSI { 1039}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.500     1.500     1.500 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.66986E-03 ppm1      8.976 ppm2      1.346 CV     1
 ASSI { 1040}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.700     1.700     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.15031E-02 ppm1      8.977 ppm2      1.212 CV     1
 ASSI { 1049}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
      3.900     1.900     1.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.42588E-03 ppm1      9.053 ppm2      1.780 CV     1
 ASSI { 1060}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.17863E-02 ppm1      7.550 ppm2      4.641 CV     1
 ASSI { 1070}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.300     1.400     1.400 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.15086E-02 ppm1      7.551 ppm2      1.361 CV     1
 ASSI { 1079}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.700     0.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.47436E-02 ppm1      8.625 ppm2      4.292 CV     1
 ASSI { 1087}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      4.400     2.400     1.600 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.23854E-03 ppm1      8.620 ppm2      0.847 CV     1
 ASSI { 1095}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.55008E-03 ppm1      8.511 ppm2      4.290 CV     1
 ASSI { 1118}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.200     0.600     0.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.45039E-02 ppm1      7.409 ppm2      1.695 CV     1
 ASSI { 1161}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.600     2.600     1.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.15522E-03 ppm1      7.884 ppm2      8.726 CV     1
 ASSI { 1169}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      3.100     1.200     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.17210E-02 ppm1      7.890 ppm2      3.721 CV     1
 ASSI { 1174}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      4.600     2.600     1.400 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.87682E-04 ppm1      7.889 ppm2      2.082 CV     1
 ASSI { 1177}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      3.100     1.200     1.200 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      7.890 ppm2      1.500 CV     1
 ASSI { 1181}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.76791E-03 ppm1      7.893 ppm2      0.357 CV     1
 ASSI { 1193}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.200     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.59907E-03 ppm1      8.433 ppm2      4.687 CV     1
 ASSI { 1197}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.100     1.200     1.200 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.28864E-02 ppm1      8.436 ppm2      1.871 CV     1
 ASSI { 1212}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.700     1.700     1.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.62631E-03 ppm1      8.780 ppm2      4.664 CV     1
 ASSI { 1217}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 46   and name HG  ))
      3.000     3.000     3.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.37580E-03 ppm1      8.778 ppm2      0.896 CV     1
 ASSI { 1230}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.400     1.500     1.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.11764E-02 ppm1      7.528 ppm2      1.757 CV     1
 ASSI { 1249}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.11110E-02 ppm1      8.750 ppm2      1.758 CV     1
 ASSI { 1257}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      2.600     0.900     0.900 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.35290E-02 ppm1      8.812 ppm2      1.829 CV     1
 ASSI { 1259}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 101  and name HG12))
      2.900     2.900     3.100 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.33656E-02 ppm1      8.811 ppm2      0.862 CV     1
 ASSI { 1260}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
      3.100     1.200     1.200 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.14051E-02 ppm1      8.810 ppm2      0.695 CV     1
 ASSI { 1295}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.38288E-02 ppm1      8.161 ppm2      1.628 CV     1
 ASSI { 1310}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      3.400     1.400     1.400 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.20859E-02 ppm1      8.266 ppm2      1.149 CV     1
 ASSI { 1337}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.600     1.600     1.600 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.59907E-03 ppm1      9.222 ppm2      0.706 CV     1
 ASSI { 1357}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.500     1.500     1.500 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.13997E-02 ppm1      8.542 ppm2      8.800 CV     1
 ASSI { 1378}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HE21))
      3.400     1.400     1.400 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.75157E-03 ppm1      9.284 ppm2      7.511 CV     1
 ASSI { 1379}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.600     0.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.45094E-02 ppm1      9.274 ppm2      5.148 CV     1
 ASSI { 1381}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.700     3.700     2.300 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      9.272 ppm2      4.358 CV     1
 ASSI { 1385}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      3.500     1.500     1.500 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.18626E-02 ppm1      9.273 ppm2      1.883 CV     1
 ASSI { 1386}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.600     1.600     1.600 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.55008E-03 ppm1      9.274 ppm2      1.674 CV     1
 ASSI { 1387}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HD2 ))
      2.800     2.800     3.200 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      9.274 ppm2      1.458 CV     1
 ASSI { 1389}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      2.700     2.700     3.300 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.56639E-02 ppm1      9.274 ppm2      0.686 CV     1
 ASSI { 1391}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      4.300     2.300     1.700 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.22656E-03 ppm1      8.715 ppm2      1.192 CV     1
 ASSI { 1397}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HD2 ))
      5.700     4.100     0.300 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.67533E-04 ppm1      8.714 ppm2      3.671 CV     1
 ASSI { 1410}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.900     1.100     1.100 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.27993E-02 ppm1      8.338 ppm2      4.681 CV     1
 ASSI { 1417}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB3 ))
      4.200     2.200     1.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.50649E-03 ppm1      8.338 ppm2      2.311 CV     1
 ASSI { 1421}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.400     3.400     2.600 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.15249E-03 ppm1      8.338 ppm2      0.650 CV     1
 ASSI { 1430}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      4.200     2.200     1.800 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.49070E-03 ppm1      7.521 ppm2      3.660 CV     1
 ASSI { 1438}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.400     1.500     1.500 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.12526E-02 ppm1      6.958 ppm2      8.345 CV     1
 ASSI { 1441}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.900     2.900     3.100 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      6.958 ppm2      4.687 CV     1
 ASSI { 1456}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB3 ))
      3.400     1.400     1.400 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.78425E-03 ppm1      8.350 ppm2      2.745 CV     1
 ASSI { 1463}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      2.800     1.000     1.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      8.374 ppm2      8.097 CV     1
 ASSI { 1464}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     5.800     0.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.64809E-05 ppm1      8.353 ppm2      7.550 CV     1
 ASSI { 1536}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.500     1.500 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.62631E-03 ppm1      8.549 ppm2      1.806 CV     1
 ASSI { 1550}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.600     2.600     3.400 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.17155E-02 ppm1      8.027 ppm2      2.670 CV     1
 ASSI { 1552}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.400     2.400     1.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.49668E-04 ppm1      8.026 ppm2      2.100 CV     1
 ASSI { 1554}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HB3 ))
      3.600     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.66443E-03 ppm1      8.025 ppm2      0.847 CV     1
 ASSI { 1561}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      3.900     1.900     1.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.64265E-03 ppm1      9.022 ppm2      8.198 CV     1
 ASSI { 1569}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HG3 ))
      3.900     1.900     1.900 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.36869E-03 ppm1      9.017 ppm2      1.915 CV     1
 ASSI { 1571}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.14378E-02 ppm1      9.022 ppm2      1.254 CV     1
 ASSI { 1575}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      4.400     2.400     1.600 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.16611E-03 ppm1      8.227 ppm2      4.706 CV     1
 ASSI { 1578}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.600     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.35891E-02 ppm1      8.236 ppm2      1.653 CV     1
 ASSI { 1579}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HG2 ))
      2.700     0.900     0.900 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.17264E-02 ppm1      8.222 ppm2      1.319 CV     1
 ASSI { 1585}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.18081E-02 ppm1      8.437 ppm2      1.548 CV     1
 ASSI { 1599}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.700     0.900     0.900 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.19280E-02 ppm1      9.060 ppm2      4.695 CV     1
 ASSI { 1606}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.800     1.000     1.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.28483E-02 ppm1      9.064 ppm2      1.549 CV     1
 ASSI { 1612}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 6    and name HD2%)
      4.700     2.700     1.300 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.23691E-04 ppm1      8.536 ppm2      0.880 CV     1
 ASSI { 1616}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.400     0.700     0.700 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.72435E-02 ppm1      8.536 ppm2      2.200 CV     1
 ASSI { 1635}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.400     2.400     3.600 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.14106E-02 ppm1      8.641 ppm2      4.695 CV     1
 ASSI { 1639}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      4.200     2.200     1.800 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.99121E-04 ppm1      8.633 ppm2      2.213 CV     1
 ASSI { 1640}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 103  and name HG2 ))
      4.100     2.100     1.900 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.24453E-03 ppm1      8.630 ppm2      1.777 CV     1
 ASSI { 1644}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      4.000     2.000     2.000 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.39703E-03 ppm1      8.194 ppm2      1.396 CV     1
 ASSI { 1654}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB3 ))
      4.000     2.000     2.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.21676E-03 ppm1      7.883 ppm2      1.813 CV     1
 ASSI { 1658}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      2.600     0.800     0.800 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.30553E-02 ppm1      7.884 ppm2      4.142 CV     1
 ASSI { 1698}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG  ))
      3.200     1.300     1.300 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.11982E-02 ppm1      8.319 ppm2      1.591 CV     1
 ASSI { 1711}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.400     1.500     1.500 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.83327E-03 ppm1      8.323 ppm2      4.221 CV     1
 ASSI { 1712}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HE2 ))
      4.200     2.200     1.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.57729E-04 ppm1      8.327 ppm2      2.914 CV     1
 ASSI { 1719}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      2.500     2.500     3.500 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.21785E-02 ppm1      8.321 ppm2      1.361 CV     1
 ASSI { 1751}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.800     1.800     1.800 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.49668E-03 ppm1      8.745 ppm2      1.903 CV     1
 ASSI { 1753}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      4.300     2.300     1.700 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.53972E-03 ppm1      8.746 ppm2      2.010 CV     1
 ASSI { 1775}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HD2 ))
      4.000     2.000     2.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.44168E-03 ppm1      9.060 ppm2      1.245 CV     1
 ASSI { 1801}
   (( segid "    " and resid 7    and name HE21))
   (( segid "    " and resid 23   and name HB  ))
      4.000     2.000     2.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.50540E-03 ppm1      6.365 ppm2      1.837 CV     1
 ASSI { 1811}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.69711E-03 ppm1      8.455 ppm2      5.400 CV     1
 ASSI { 1819}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      4.700     2.700     1.300 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.20423E-03 ppm1      8.447 ppm2      1.377 CV     1
 ASSI { 1837}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.43515E-03 ppm1      9.483 ppm2      0.854 CV     1
 ASSI { 1844}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.58273E-04 ppm1      8.686 ppm2      8.071 CV     1
 ASSI { 1867}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 18   and name HE21))
      5.400     3.700     0.600 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.75157E-04 ppm1      8.682 ppm2      7.198 CV     1
 ASSI { 1873}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.400     2.400     1.600 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.18626E-03 ppm1      8.679 ppm2      4.581 CV     1
 ASSI { 1903}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.700     1.700     1.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.29791E-03 ppm1      8.906 ppm2      1.641 CV     1
 ASSI { 1910}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      5.100     3.200     0.900 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.14923E-03 ppm1      8.012 ppm2      8.550 CV     1
 ASSI { 1921}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 18   and name HG3 ))
      3.800     1.800     1.800 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.86595E-03 ppm1      8.015 ppm2      2.074 CV     1
 ASSI { 1960}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.50430E-02 ppm1      8.308 ppm2      4.145 CV     1
 ASSI { 1963}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      3.400     1.400     1.400 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.97487E-03 ppm1      8.317 ppm2      2.602 CV     1
 ASSI { 1968}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.800     1.800     1.800 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.39484E-03 ppm1      8.311 ppm2      1.644 CV     1
 OR { 1968}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
 ASSI { 1969}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      6.000     4.600     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.21676E-04 ppm1      8.302 ppm2      0.707 CV     1
 ASSI { 1979}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.97487E-03 ppm1      7.511 ppm2      2.268 CV     1
 ASSI { 1982}
   (( segid "    " and resid 15   and name HE21))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.15957E-02 ppm1      7.512 ppm2      4.695 CV     1
 ASSI { 2002}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.59363E-02 ppm1      7.351 ppm2      2.101 CV     1
 ASSI { 2004}
   (( segid "    " and resid 17   and name HD21))
   (( segid "    " and resid 19   and name HG  ))
      4.600     2.700     1.400 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.17428E-03 ppm1      7.349 ppm2      1.656 CV     1
 ASSI { 2017}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.700     2.800     1.300 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.21403E-03 ppm1      7.683 ppm2      8.588 CV     1
 ASSI { 2022}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.700     2.700     1.300 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.21131E-03 ppm1      7.656 ppm2      6.909 CV     1
 ASSI { 2026}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     3.100     2.900 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.59363E-03 ppm1      7.678 ppm2      4.557 CV     1
 ASSI { 2029}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.19007E-02 ppm1      7.680 ppm2      4.168 CV     1
 ASSI { 2031}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.200     1.300     1.300 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.22765E-02 ppm1      7.680 ppm2      2.510 CV     1
 ASSI { 2033}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.400     1.400 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.11546E-02 ppm1      7.680 ppm2      2.094 CV     1
 ASSI { 2035}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      5.200     3.300     0.800 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.81693E-04 ppm1      7.685 ppm2      1.739 CV     1
 ASSI { 2078}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      4.200     2.200     1.800 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.69167E-03 ppm1      9.043 ppm2      4.621 CV     1
 ASSI { 2081}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.21403E-03 ppm1      9.051 ppm2      2.945 CV     1
 ASSI { 2083}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      4.000     2.000     2.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.25488E-03 ppm1      9.052 ppm2      2.828 CV     1
 ASSI { 2085}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.900     1.000     1.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.38558E-02 ppm1      9.047 ppm2      2.113 CV     1
 ASSI { 2089}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.900     1.000     1.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      9.041 ppm2      1.815 CV     1
 ASSI { 2098}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.800     0.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.32078E-02 ppm1      9.034 ppm2      8.686 CV     1
 ASSI { 2103}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      5.000     3.100     1.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.72979E-04 ppm1      9.028 ppm2      5.108 CV     1
 ASSI { 2110}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.100     1.200     1.200 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      9.024 ppm2      1.617 CV     1
 ASSI { 2148}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      4.000     2.000     2.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.43187E-03 ppm1      9.474 ppm2      1.381 CV     1
 ASSI { 2187}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.500     2.600     1.500 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.12417E-03 ppm1      8.377 ppm2      8.918 CV     1
 ASSI { 2208}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.700     1.700     1.700 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.99121E-03 ppm1      7.694 ppm2      4.310 CV     1
 ASSI { 2214}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      4.900     3.000     1.100 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.12635E-03 ppm1      7.695 ppm2      1.546 CV     1
 ASSI { 2224}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     3.200     2.800 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.45313E-03 ppm1      7.700 ppm2      5.401 CV     1
 ASSI { 2232}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.86595E-04 ppm1      7.701 ppm2      8.490 CV     1
 ASSI { 2248}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      2.700     0.900     0.900 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.26250E-02 ppm1      9.189 ppm2      1.910 CV     1
 ASSI { 2249}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 6    and name HG  ))
      5.300     3.500     0.700 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.74066E-04 ppm1      9.184 ppm2      1.779 CV     1
 ASSI { 2251}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      3.500     1.500     1.500 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.49723E-03 ppm1      9.184 ppm2      1.419 CV     1
 ASSI { 2254}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      3.200     1.300     1.300 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.15195E-02 ppm1      9.192 ppm2      0.704 CV     1
 ASSI { 2255}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      3.100     1.200     1.200 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.19933E-02 ppm1      9.119 ppm2      0.899 CV     1
 ASSI { 2261}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      4.200     2.200     1.800 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.34527E-03 ppm1      9.120 ppm2      2.014 CV     1
 ASSI { 2262}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.500     1.500     1.500 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.68077E-03 ppm1      9.114 ppm2      2.096 CV     1
 ASSI { 2266}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.13833E-02 ppm1      9.119 ppm2      5.309 CV     1
 ASSI { 2288}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.500     0.800     0.800 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.50649E-02 ppm1      8.451 ppm2      2.014 CV     1
 ASSI { 2313}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.700     2.800     1.300 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.24617E-03 ppm1      7.950 ppm2      2.634 CV     1
 ASSI { 2315}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      4.300     2.300     1.700 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.19171E-03 ppm1      7.948 ppm2      2.048 CV     1
 ASSI { 2316}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.000     3.000     3.000 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.40356E-02 ppm1      7.946 ppm2      1.963 CV     1
 ASSI { 2317}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      4.800     2.900     1.200 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.70255E-04 ppm1      7.998 ppm2      1.865 CV     1
 ASSI { 2333}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.700     2.700     3.300 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.33385E-02 ppm1      8.133 ppm2      1.485 CV     1
 ASSI { 2401}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.12635E-02 ppm1      7.251 ppm2      4.701 CV     1
 ASSI { 2417}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     6.000     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.63175E-06 ppm1      8.694 ppm2      4.460 CV     1
 ASSI { 2419}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      6.000     4.600     0.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.38069E-04 ppm1      8.709 ppm2      3.977 CV     1
 ASSI { 2423}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 32   and name HG  ))
      5.400     3.600     0.600 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.68620E-04 ppm1      8.698 ppm2      1.458 CV     1
 ASSI { 2427}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.500     2.500     1.500 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.32295E-03 ppm1      8.752 ppm2      3.080 CV     1
 ASSI { 2436}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.600     3.600     2.400 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      8.706 ppm2      8.818 CV     1
 ASSI { 2475}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.300     0.700     0.700 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.92041E-02 ppm1      8.338 ppm2      1.493 CV     1
 ASSI { 2476}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 31   and name HB% )
      2.900     1.000     1.000 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.19497E-02 ppm1      8.327 ppm2      1.135 CV     1
 ASSI { 2477}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HG  ))
      3.200     1.200     1.200 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.21512E-02 ppm1      8.345 ppm2      0.938 CV     1
 ASSI { 2512}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      4.100     2.100     1.900 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.25325E-03 ppm1      8.887 ppm2      1.694 CV     1
 ASSI { 2523}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      5.300     3.400     0.700 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.99121E-04 ppm1      8.267 ppm2      9.118 CV     1
 ASSI { 2524}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.90950E-03 ppm1      8.260 ppm2      8.771 CV     1
 ASSI { 2541}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HD2 ))
      4.500     2.500     1.500 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.19769E-03 ppm1      8.276 ppm2      1.509 CV     1
 ASSI { 2542}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      4.500     2.500     1.500 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.19552E-03 ppm1      8.263 ppm2      1.416 CV     1
 ASSI { 2547}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      4.400     2.400     1.600 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.20532E-03 ppm1      8.275 ppm2      0.397 CV     1
 ASSI { 2551}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      3.000     1.100     1.100 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.84961E-03 ppm1      9.138 ppm2      3.387 CV     1
 ASSI { 2555}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      5.900     4.400     0.100 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.41556E-04 ppm1      9.142 ppm2      4.702 CV     1
 ASSI { 2561}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      5.500     3.800     0.500 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.80059E-04 ppm1      9.146 ppm2      8.968 CV     1
 ASSI { 2564}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HB% )
      4.900     3.000     1.100 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.45313E-04 ppm1      9.130 ppm2      1.555 CV     1
 ASSI { 2567}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      3.500     1.500     1.500 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.11655E-02 ppm1      8.951 ppm2      0.913 CV     1
 ASSI { 2568}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      4.000     2.000     2.000 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.47600E-03 ppm1      8.953 ppm2      1.260 CV     1
 ASSI { 2569}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      4.200     2.200     1.800 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.28320E-03 ppm1      8.941 ppm2      1.254 CV     1
 ASSI { 2572}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.800     1.000     1.000 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.18680E-02 ppm1      8.949 ppm2      1.638 CV     1
 ASSI { 2573}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HD3 ))
      4.900     2.900     1.100 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.20096E-03 ppm1      8.951 ppm2      3.710 CV     1
 ASSI { 2574}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.95853E-03 ppm1      8.953 ppm2      4.187 CV     1
 ASSI { 2575}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.500     1.600     1.600 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.78968E-03 ppm1      8.952 ppm2      4.376 CV     1
 ASSI { 2579}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      4.300     2.300     1.700 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.20913E-03 ppm1      8.973 ppm2      7.517 CV     1
 ASSI { 2587}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      5.900     4.300     0.100 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.45966E-04 ppm1      8.448 ppm2      1.422 CV     1
 ASSI { 2594}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      4.800     2.900     1.200 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.88229E-04 ppm1      8.452 ppm2      4.454 CV     1
 ASSI { 2607}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.77334E-03 ppm1      8.318 ppm2      8.072 CV     1
 ASSI { 2626}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      5.700     4.000     0.300 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.61541E-04 ppm1      8.334 ppm2      0.623 CV     1
 ASSI { 2631}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.73523E-02 ppm1      8.102 ppm2      1.591 CV     1
 ASSI { 2636}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.900     1.900     1.900 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.73523E-04 ppm1      8.097 ppm2      4.202 CV     1
 ASSI { 2639}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     3.100     2.900 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      8.102 ppm2      4.698 CV     1
 ASSI { 2644}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.10021E-03 ppm1      8.103 ppm2      8.459 CV     1
 ASSI { 2645}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
      3.600     1.600     1.600 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.18517E-03 ppm1      7.436 ppm2      1.372 CV     1
 ASSI { 2684}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.800     2.900     1.200 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.65352E-04 ppm1      8.514 ppm2      1.699 CV     1
 ASSI { 2703}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      4.400     2.400     1.600 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.15685E-03 ppm1      8.307 ppm2      2.020 CV     1
 ASSI { 2712}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      4.900     3.000     1.100 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.10838E-03 ppm1      8.773 ppm2      1.573 CV     1
 ASSI { 2719}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     3.300     2.700 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.25815E-03 ppm1      8.780 ppm2      4.684 CV     1
 ASSI { 2772}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.38503E-04 ppm1      8.139 ppm2      3.032 CV     1
 ASSI { 2773}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HE2 ))
      4.800     2.800     1.200 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.70255E-04 ppm1      8.130 ppm2      3.056 CV     1
 ASSI { 2776}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG3 ))
      2.200     0.600     0.600 peak  2776 spectrum    1 weight  0.10000E+01 volume  0.11001E-01 ppm1      8.098 ppm2      1.837 CV     1
 ASSI { 2777}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.300     1.400     1.400 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.92041E-03 ppm1      8.126 ppm2      1.739 CV     1
 ASSI { 2783}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.400     2.400     3.600 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.16828E-02 ppm1      8.098 ppm2      1.353 CV     1
 ASSI { 2784}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      5.500     3.800     0.500 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.63175E-04 ppm1      8.101 ppm2      1.272 CV     1
 ASSI { 2811}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.800     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.14541E-04 ppm1      8.207 ppm2      8.341 CV     1
 ASSI { 2818}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      4.600     2.600     1.400 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.44985E-04 ppm1      8.221 ppm2      4.789 CV     1
 ASSI { 2825}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      3.700     1.700     1.700 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.39375E-03 ppm1      8.211 ppm2      1.705 CV     1
 ASSI { 2826}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      3.600     1.700     1.700 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.87139E-03 ppm1      8.211 ppm2      1.350 CV     1
 ASSI { 2827}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HG  ))
      5.900     4.400     0.100 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.35454E-04 ppm1      8.209 ppm2      1.189 CV     1
 ASSI { 2829}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      3.800     1.800     1.800 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.39265E-03 ppm1      8.244 ppm2      0.740 CV     1
 ASSI { 2831}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.500     2.500     1.500 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.36818E-03 ppm1      8.241 ppm2      1.257 CV     1
 ASSI { 2832}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.400     1.400 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.48471E-03 ppm1      8.242 ppm2      1.490 CV     1
 ASSI { 2833}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB3 ))
      3.500     1.600     1.600 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.15848E-02 ppm1      8.246 ppm2      1.779 CV     1
 ASSI { 2853}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      5.400     3.600     0.600 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.39050E-04 ppm1      8.439 ppm2      8.298 CV     1
 ASSI { 2862}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.200     2.200     1.800 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.24290E-03 ppm1      8.443 ppm2      4.457 CV     1
 ASSI { 2866}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
      3.200     1.300     1.300 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.77334E-03 ppm1      8.448 ppm2      3.614 CV     1
 ASSI { 2867}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HD3 ))
      6.000     6.000     0.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.15576E-05 ppm1      8.448 ppm2      3.043 CV     1
 ASSI { 2869}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.200     1.200     1.200 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      8.447 ppm2      1.654 CV     1
 ASSI { 2870}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      4.500     2.600     1.500 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.21567E-03 ppm1      8.447 ppm2      1.406 CV     1
 ASSI { 2875}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      3.100     1.200     1.200 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.16883E-02 ppm1      8.254 ppm2      0.856 CV     1
 ASSI { 2879}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 31   and name HB% )
      5.600     3.900     0.400 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.61541E-04 ppm1      8.256 ppm2      1.179 CV     1
 ASSI { 2880}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.800     0.800 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.22220E-02 ppm1      8.254 ppm2      1.441 CV     1
 ASSI { 2882}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HD2 ))
      4.200     2.200     1.800 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.24508E-03 ppm1      8.256 ppm2      1.651 CV     1
 ASSI { 2890}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.900     3.000     1.100 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.55008E-04 ppm1      8.262 ppm2      4.459 CV     1
 ASSI { 2903}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.300     0.000 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.21294E-04 ppm1      8.301 ppm2      7.932 CV     1
 ASSI { 2917}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      4.400     2.400     1.600 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.17047E-03 ppm1      8.304 ppm2      1.978 CV     1
 ASSI { 2918}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      4.200     2.200     1.800 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.18517E-03 ppm1      8.295 ppm2      1.928 CV     1
 ASSI { 2920}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HG  ))
      3.900     1.900     1.900 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.62631E-03 ppm1      8.298 ppm2      1.535 CV     1
 ASSI { 2924}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      3.300     3.300     2.700 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.18136E-03 ppm1      8.301 ppm2      0.703 CV     1
 ASSI { 2976}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      5.500     3.800     0.500 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.53210E-04 ppm1      8.926 ppm2      2.100 CV     1
 ASSI { 2979}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 65   and name HD3 ))
      6.000     5.200     0.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.21785E-04 ppm1      7.931 ppm2      3.294 CV     1
 ASSI { 2980}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      4.200     2.200     1.800 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.38722E-03 ppm1      7.937 ppm2      1.957 CV     1
 ASSI { 2981}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG  ))
      3.900     1.900     1.900 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.20859E-03 ppm1      7.939 ppm2      1.642 CV     1
 ASSI { 3007}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      5.000     3.100     1.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.11274E-03 ppm1      8.169 ppm2      2.864 CV     1
 ASSI { 3008}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HB3 ))
      2.500     0.800     0.800 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.35727E-02 ppm1      8.176 ppm2      2.677 CV     1
 ASSI { 3017}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG3 ))
      2.300     0.700     0.700 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.40845E-02 ppm1      8.166 ppm2      1.255 CV     1
 ASSI { 3019}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 3    and name HD2%)
      2.900     2.900     3.100 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.13125E-02 ppm1      8.177 ppm2      0.754 CV     1
 ASSI { 3022}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      2.700     2.700     3.300 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.80059E-03 ppm1      9.042 ppm2      0.990 CV     1
 ASSI { 3023}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      6.000     5.700     0.000 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.20369E-04 ppm1      9.041 ppm2      0.564 CV     1
 ASSI { 3032}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.200     1.300     1.300 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.18081E-02 ppm1      7.759 ppm2      9.038 CV     1
 ASSI { 3046}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      3.600     1.600     1.600 peak  3046 spectrum    1 weight  0.10000E+01 volume  0.23201E-03 ppm1      7.762 ppm2      1.678 CV     1
 ASSI { 3062}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.400     1.400     1.400 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.68077E-03 ppm1      8.975 ppm2      2.950 CV     1
 ASSI { 3070}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB3 ))
      2.600     0.800     0.800 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.22057E-02 ppm1      8.978 ppm2      0.808 CV     1
 ASSI { 3076}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
      4.000     2.000     2.000 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.37960E-03 ppm1      9.054 ppm2      1.775 CV     1
 ASSI { 3097}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.300     1.400     1.400 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      7.550 ppm2      1.775 CV     1
 ASSI { 3106}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.47764E-03 ppm1      7.552 ppm2      4.312 CV     1
 ASSI { 3123}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.200     1.300     1.300 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.10729E-02 ppm1      8.626 ppm2      1.705 CV     1
 ASSI { 3125}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      6.000     5.000     0.000 peak  3125 spectrum    1 weight  0.10000E+01 volume  0.56639E-04 ppm1      8.624 ppm2      1.947 CV     1
 ASSI { 3130}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      5.100     3.200     0.900 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.18027E-03 ppm1      8.618 ppm2      3.905 CV     1
 ASSI { 3162}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.11655E-02 ppm1      8.511 ppm2      1.703 CV     1
 ASSI { 3204}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.900     2.900     1.100 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.37088E-04 ppm1      7.315 ppm2      4.695 CV     1
 ASSI { 3235}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      4.100     2.100     1.900 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.35891E-03 ppm1      7.895 ppm2      8.356 CV     1
 ASSI { 3239}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      5.000     3.100     1.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.90950E-04 ppm1      7.892 ppm2      7.512 CV     1
 ASSI { 3245}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      5.600     4.000     0.400 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.45149E-04 ppm1      7.896 ppm2      4.457 CV     1
 ASSI { 3251}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 108  and name HG2 ))
      3.600     1.600     1.600 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.95853E-03 ppm1      7.891 ppm2      2.627 CV     1
 ASSI { 3259}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG3 ))
      2.700     0.900     0.900 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.19933E-02 ppm1      7.891 ppm2      1.262 CV     1
 ASSI { 3275}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.10293E-02 ppm1      8.246 ppm2      4.684 CV     1
 ASSI { 3281}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB3 ))
      1.400     0.300     0.800 peak  3281 spectrum    1 weight  0.10000E+01 volume  0.13180E+00 ppm1      8.242 ppm2      1.728 CV     1
 ASSI { 3307}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 46   and name HD2%)
      2.600     0.800     0.800 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.58273E-02 ppm1      8.771 ppm2      0.383 CV     1
 ASSI { 3314}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.500     1.500     1.500 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.14596E-03 ppm1      8.778 ppm2      1.645 CV     1
 ASSI { 3318}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      5.000     3.100     1.000 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.19552E-03 ppm1      8.780 ppm2      4.655 CV     1
 ASSI { 3319}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.700     0.000 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.25216E-04 ppm1      8.775 ppm2      4.694 CV     1
 ASSI { 3337}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.000     1.100     1.100 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.28375E-02 ppm1      7.528 ppm2      8.770 CV     1
 ASSI { 3372}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.400     1.500     1.500 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.87682E-03 ppm1      8.750 ppm2      1.745 CV     1
 ASSI { 3397}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      3.800     1.800     1.800 peak  3397 spectrum    1 weight  0.10000E+01 volume  0.46130E-03 ppm1      8.815 ppm2      9.249 CV     1
 ASSI { 3416}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      3.000     3.000     3.000 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.16393E-02 ppm1      8.702 ppm2      2.887 CV     1
 ASSI { 3417}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      5.900     4.400     0.100 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.29246E-04 ppm1      8.692 ppm2      2.718 CV     1
 ASSI { 3420}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 32   and name HG  ))
      4.100     2.100     1.900 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.47873E-03 ppm1      8.700 ppm2      1.447 CV     1
 ASSI { 3421}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.500     3.500     2.500 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.50215E-03 ppm1      8.703 ppm2      1.327 CV     1
 ASSI { 3423}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 100  and name HG12))
      3.700     1.700     1.700 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.87682E-03 ppm1      8.701 ppm2      0.724 CV     1
 ASSI { 3427}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      5.300     3.500     0.700 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.25161E-04 ppm1      9.521 ppm2      4.789 CV     1
 ASSI { 3433}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      6.000     4.900     0.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.18136E-04 ppm1      7.809 ppm2      4.226 CV     1
 ASSI { 3434}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      3.000     3.000     3.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.17972E-02 ppm1      7.814 ppm2      2.965 CV     1
 ASSI { 3435}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     5.600     0.000 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.24399E-04 ppm1      7.806 ppm2      1.483 CV     1
 ASSI { 3473}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HN  ))
      5.500     3.800     0.500 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.40629E-04 ppm1      6.884 ppm2      8.314 CV     1
 ASSI { 3498}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      5.300     3.500     0.700 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.10947E-03 ppm1      8.264 ppm2      8.029 CV     1
 ASSI { 3526}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 101  and name HG12))
      6.000     6.000     0.000 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.80059E-06 ppm1      8.800 ppm2      0.847 CV     1
 ASSI { 3550}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 128  and name HB3 ))
      5.100     3.300     0.900 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.64265E-04 ppm1      8.094 ppm2      1.828 CV     1
 ASSI { 3552}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.600     3.600     2.400 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.30172E-03 ppm1      8.106 ppm2      1.376 CV     1
 ASSI { 3559}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      5.200     3.400     0.800 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.66986E-04 ppm1      9.215 ppm2      1.827 CV     1
 ASSI { 3598}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      3.800     1.800     1.800 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.52229E-03 ppm1      9.478 ppm2      8.544 CV     1
 ASSI { 3632}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.200     1.300     1.300 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.69167E-03 ppm1      7.892 ppm2      1.902 CV     1
 ASSI { 3633}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HD2 ))
      3.100     1.200     1.200 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.21131E-02 ppm1      7.797 ppm2      1.459 CV     1
 ASSI { 3635}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.900     2.900     3.100 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.86595E-03 ppm1      7.795 ppm2      1.074 CV     1
 ASSI { 3638}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      5.500     3.700     0.500 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.97487E-04 ppm1      7.797 ppm2      0.391 CV     1
 ASSI { 3642}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HD2 ))
      2.800     2.800     3.200 peak  3642 spectrum    1 weight  0.10000E+01 volume  0.99121E-03 ppm1      9.275 ppm2      1.456 CV     1
 ASSI { 3643}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.800     1.800     1.800 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.42099E-03 ppm1      9.276 ppm2      1.683 CV     1
 ASSI { 3650}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.800     1.800     1.800 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.36380E-03 ppm1      9.275 ppm2      4.673 CV     1
 ASSI { 3655}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.900     3.000     1.100 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.10239E-03 ppm1      9.280 ppm2      8.785 CV     1
 ASSI { 3681}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      3.000     1.100     1.100 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.16447E-02 ppm1      8.338 ppm2      4.437 CV     1
 ASSI { 3697}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.200     1.300     1.300 peak  3697 spectrum    1 weight  0.10000E+01 volume  0.98577E-03 ppm1      7.520 ppm2      4.532 CV     1
 ASSI { 3789}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      4.000     2.000     2.000 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.50270E-03 ppm1      8.548 ppm2      8.416 CV     1
 ASSI { 3790}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.15794E-02 ppm1      8.546 ppm2      8.685 CV     1
 ASSI { 3807}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 121  and name HB3 ))
      4.300     2.300     1.700 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.19061E-03 ppm1      8.376 ppm2      0.841 CV     1
 ASSI { 3848}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.700     2.700     3.300 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.26850E-02 ppm1      8.221 ppm2      1.544 CV     1
 ASSI { 3849}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      2.800     1.000     1.000 peak  3849 spectrum    1 weight  0.10000E+01 volume  0.17645E-02 ppm1      8.201 ppm2      1.691 CV     1
 ASSI { 3872}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.700     1.700     1.700 peak  3872 spectrum    1 weight  0.10000E+01 volume  0.69711E-03 ppm1      9.023 ppm2      1.532 CV     1
 ASSI { 3877}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  3877 spectrum    1 weight  0.10000E+01 volume  0.34691E-02 ppm1      8.241 ppm2      1.640 CV     1
 ASSI { 3878}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.800     2.800     3.200 peak  3878 spectrum    1 weight  0.10000E+01 volume  0.46837E-03 ppm1      8.211 ppm2      2.658 CV     1
 ASSI { 3898}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.400     0.700     0.700 peak  3898 spectrum    1 weight  0.10000E+01 volume  0.81693E-02 ppm1      8.393 ppm2      1.533 CV     1
 ASSI { 3899}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 5    and name HG3 ))
      3.100     1.200     1.200 peak  3899 spectrum    1 weight  0.10000E+01 volume  0.37580E-02 ppm1      8.392 ppm2      1.411 CV     1
 ASSI { 3931}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      3.900     1.900     1.900 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.53534E-03 ppm1      9.061 ppm2      8.540 CV     1
 ASSI { 3954}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.700     1.700     1.700 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.14106E-03 ppm1      8.524 ppm2      1.804 CV     1
 ASSI { 3962}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 101  and name HG12))
      3.800     3.800     2.200 peak  3962 spectrum    1 weight  0.10000E+01 volume  0.76791E-04 ppm1      8.634 ppm2      0.885 CV     1
 ASSI { 3984}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 88   and name HB% )
      3.400     1.400     1.400 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.10348E-02 ppm1      8.191 ppm2      1.388 CV     1
 ASSI { 3985}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      3.700     1.800     1.800 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.52827E-03 ppm1      8.164 ppm2      1.649 CV     1
 ASSI { 3988}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      4.400     2.400     1.600 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.23909E-03 ppm1      8.184 ppm2      1.117 CV     1
! PHI:
assign (resid 2 and name C)
       (resid 3 and name N)
       (resid 3 and name CA)
       (resid 3 and name C)
       1 -79.7 2.35 2
assign (resid 3 and name C)
       (resid 4 and name N)
       (resid 4 and name CA)
       (resid 4 and name C)
       1 82.63 5.65 2
assign (resid 4 and name C)
       (resid 5 and name N)
       (resid 5 and name CA)
       (resid 5 and name C)
       1 -146.9 5.88 2
assign (resid 5 and name C)
       (resid 6 and name N)
       (resid 6 and name CA)
       (resid 6 and name C)
       1 -134.2 8.51 2
assign (resid 6 and name C)
       (resid 7 and name N)
       (resid 7 and name CA)
       (resid 7 and name C)
       1 -86.3 1.43 2
assign (resid 7 and name C)
       (resid 8 and name N)
       (resid 8 and name CA)
       (resid 8 and name C)
       1 -134.34 1.78 2
assign (resid 8 and name C)
       (resid 9 and name N)
       (resid 9 and name CA)
       (resid 9 and name C)
       1 -142.15 4.76 2
assign (resid 9 and name C)
       (resid 10 and name N)
       (resid 10 and name CA)
       (resid 10 and name C)
       1 -116.9 9.37 2
assign (resid 10 and name C)
       (resid 11 and name N)
       (resid 11 and name CA)
       (resid 11 and name C)
       1 -134.24 2.19 2
assign (resid 11 and name C)
       (resid 12 and name N)
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       1 -132.8 7.01 2
assign (resid 12 and name C)
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       1 -94.5 5.4 2
assign (resid 13 and name C)
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       1 -85.1 3.6 2
assign (resid 14 and name C)
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       1 -71.5 1.32 2
assign (resid 15 and name C)
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       (resid 16 and name C)
       1 -79.1 6.62 2
assign (resid 16 and name C)
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       1 62.3 5.19 2
assign (resid 17 and name C)
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       (resid 18 and name C)
       1 -131.9 9.27 2
assign (resid 18 and name C)
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       1 -79.3 2.18 2
assign (resid 19 and name C)
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       1 -139.4 8.35 2
assign (resid 20 and name C)
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       1 -134.9 4.52 2
assign (resid 21 and name C)
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       1 -87.6 4.27 2
assign (resid 22 and name C)
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       1 -81.6 4.63 2
assign (resid 23 and name C)
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       1 -92.8 2.11 2
assign (resid 24 and name C)
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       1 -158.3 5.57 2
assign (resid 25 and name C)
       (resid 26 and name N)
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       1 -113.5 4.81 2
assign (resid 26 and name C)
       (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       1 -136.4 5.83 2
assign (resid 27 and name C)
       (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       1 64.15 5.02 2
assign (resid 28 and name C)
       (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       1 -90.9 8.75 2
assign (resid 30 and name C)
       (resid 31 and name N)
       (resid 31 and name CA)
       (resid 31 and name C)
       1 -86.7 3.03 2
assign (resid 31 and name C)
       (resid 32 and name N)
       (resid 32 and name CA)
       (resid 32 and name C)
       1 -115.8 9.24 2
assign (resid 32 and name C)
       (resid 33 and name N)
       (resid 33 and name CA)
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       1 -150 3.06 2
assign (resid 33 and name C)
       (resid 34 and name N)
       (resid 34 and name CA)
       (resid 34 and name C)
       1 -89.8 4.99 2
assign (resid 34 and name C)
       (resid 35 and name N)
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       1 -174.2 3.38 2
assign (resid 35 and name C)
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       (resid 36 and name CA)
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       1 51.6 2.9 2
assign (resid 36 and name C)
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       1 -130.75 2.18 2
assign (resid 37 and name C)
       (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       1 -134.1 2.24 2
assign (resid 38 and name C)
       (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       1 -111.9 5.69 2
assign (resid 40 and name C)
       (resid 41 and name N)
       (resid 41 and name CA)
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       1 -159.1 2.95 2
assign (resid 41 and name C)
       (resid 42 and name N)
       (resid 42 and name CA)
       (resid 42 and name C)
       1 -95.6 2.8 2
assign (resid 42 and name C)
       (resid 43 and name N)
       (resid 43 and name CA)
       (resid 43 and name C)
       1 -90.7 6.75 2
assign (resid 43 and name C)
       (resid 44 and name N)
       (resid 44 and name CA)
       (resid 44 and name C)
       1 -122.0 18.02 2
assign (resid 44 and name C)
       (resid 45 and name N)
       (resid 45 and name CA)
       (resid 45 and name C)
       1 -153.9 7.15 2
assign (resid 45 and name C)
       (resid 46 and name N)
       (resid 46 and name CA)
       (resid 46 and name C)
       1 -122.4 2.15 2
assign (resid 46 and name C)
       (resid 47 and name N)
       (resid 47 and name CA)
       (resid 47 and name C)
       1 -88.9 5.89 2
assign (resid 48 and name C)
       (resid 49 and name N)
       (resid 49 and name CA)
       (resid 49 and name C)
       1 -78.9 5.0 2
assign (resid 49 and name C)
       (resid 50 and name N)
       (resid 50 and name CA)
       (resid 50 and name C)
       1 73.5 3.82 2
assign (resid 50 and name C)
       (resid 51 and name N)
       (resid 51 and name CA)
       (resid 51 and name C)
       1 -76.2 2.75 2  
assign (resid 51 and name C)
       (resid 52 and name N)
       (resid 52 and name CA)
       (resid 52 and name C)
       1 -126.3 6.26 2
assign (resid 52 and name C)
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       (resid 53 and name CA)
       (resid 53 and name C)
       1 -79.1 2.97 2
assign (resid 53 and name C)
       (resid 54 and name N)
       (resid 54 and name CA)
       (resid 54 and name C)
       1 -102.3 2.4 2
assign (resid 54 and name C)
       (resid 55 and name N)
       (resid 55 and name CA)
       (resid 55 and name C)
       1 -146.9 5.74 2
assign (resid 55 and name C)
       (resid 56 and name N)
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       (resid 56 and name C)
       1 -75.1 3.08 2
assign (resid 56 and name C)
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       (resid 57 and name CA)
       (resid 57 and name C)
       1 -62.8 3.25 2
assign (resid 57 and name C)
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       1 -84.1 2.79 2
assign (resid 58 and name C)
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       1 -102.8 2.32 2
assign (resid 59 and name C)
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assign (resid 60 and name C)
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assign (resid 61 and name C)
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       1 -156.6 4.8 2
assign (resid 62 and name C)
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       1 -88.2 4.55 2
assign (resid 63 and name C)
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       1 -129.8 6.58 2
assign (resid 65 and name C)
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       1 -131.4 2.01 2
assign (resid 66 and name C)
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       1 -87.3 3.77 2
assign (resid 67 and name C)
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       1 45.5 4.65 2
assign (resid 68 and name C)
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       1 -140.4 18.04 2
assign (resid 69 and name C)
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       (resid 70 and name CA)
       (resid 70 and name C)
       1 -91.8 7.33 2
assign (resid 70 and name C)
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       (resid 71 and name C)
       1 -105.2 10.38 2
assign (resid 72 and name C)
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       (resid 73 and name CA)
       (resid 73 and name C)
       1 -117.3 2.79 2
assign (resid 73 and name C)
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       (resid 74 and name CA)
       (resid 74 and name C)
       1 -85.9 2.22 2
assign (resid 74 and name C)
       (resid 75 and name N)
       (resid 75 and name CA)
       (resid 75 and name C)
       1 -137.2 2.52 2
assign (resid 76 and name C)
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       (resid 77 and name CA)
       (resid 77 and name C)
       1 -68.4 5.87 2
assign (resid 77 and name C)
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       (resid 78 and name CA)
       (resid 78 and name C)
       1 -56.2 1.42 2
assign (resid 78 and name C)
       (resid 79 and name N)
       (resid 79 and name CA)
       (resid 79 and name C)
       1 -79.1 6.8 2
assign (resid 79 and name C)
       (resid 80 and name N)
       (resid 80 and name CA)
       (resid 80 and name C)
       1 -69.1 4.04 2
assign (resid 80 and name C)
       (resid 81 and name N)
       (resid 81 and name CA)
       (resid 81 and name C)
       1 -44.7 1.65 2
assign (resid 81 and name C)
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       (resid 82 and name CA)
       (resid 82 and name C)
       1 -62.0 2.18 2
assign (resid 82 and name C)
       (resid 83 and name N)
       (resid 83 and name CA)
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       1 -79.5 5.09 2
assign (resid 83 and name C)
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       (resid 84 and name CA)
       (resid 84 and name C)
       1 -120.5 2.99 2
assign (resid 84 and name C)
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       (resid 85 and name CA)
       (resid 85 and name C)
       1 -80.2 8.87 2
assign (resid 85 and name C)
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       (resid 86 and name CA)
       (resid 86 and name C)
       1 -115.7 5.05 2
assign (resid 86 and name C)
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       (resid 87 and name CA)
       (resid 87 and name C)
       1 -132.7 16.53 2
assign (resid 87 and name C)
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       (resid 88 and name C)
       1 -131.2 4.53 2
assign (resid 88 and name C)
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       (resid 89 and name C)
       1 -80.8 4.36 2
assign (resid 89 and name C)
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       (resid 90 and name CA)
       (resid 90 and name C)
       1 -119.3 4.52 2
assign (resid 90 and name C)
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       1 -88.7 2.58 2
assign (resid 91 and name C)
       (resid 92 and name N)
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       (resid 92 and name C)
       1 -81.7 1.41 2
assign (resid 92 and name C)
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       (resid 93 and name C)
       1 -99.6 5.97 2
assign (resid 93 and name C)
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       1 58.8 1.45 2
assign (resid 94 and name C)
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       (resid 95 and name CA)
       (resid 95 and name C)
       1 -150.7 5.88 2
assign (resid 95 and name C)
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       (resid 96 and name C)
       1 -79.5 7.1 2
assign (resid 96 and name C)
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       (resid 97 and name CA)
       (resid 97 and name C)
       1 -67.7 3.6 2
assign (resid 97 and name C)
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       1 -72.1 3.89 2
assign (resid 98 and name C)
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       (resid 99 and name CA)
       (resid 99 and name C)
       1 -83.5 1.67 2
assign (resid 99 and name C)
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       (resid 100 and name CA)
       (resid 100 and name C)
       1 -71.6 2.72 2
assign (resid 100 and name C)
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       1 -79.9 1.48 2
assign (resid 101 and name C)
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       1 -176.6 2.06 2
assign (resid 102 and name C)
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       (resid 103 and name CA)
       (resid 103 and name C)
       1 -159.1 7.94 2
assign (resid 103 and name C)
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       1 -150.4 2.43 2
assign (resid 104 and name C)
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       (resid 105 and name C)
       1 -125.5 7.56 2
assign (resid 105 and name C)
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       (resid 106 and name CA)
       (resid 106 and name C)
       1 -140.0 3.12 2
assign (resid 107 and name C)
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       (resid 108 and name C)
       1 -61.0 1.4 2
assign (resid 108 and name C)
       (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       1 -62.6 1.82 2
assign (resid 109 and name C)
       (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       1 -81.5 5.41 2
assign (resid 110 and name C)
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       (resid 111 and name CA)
       (resid 111 and name C)
       1 -85.3 2.31 2
assign (resid 111 and name C)
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       (resid 112 and name CA)
       (resid 112 and name C)
       1 -80.0 2.59 2
assign (resid 112 and name C)
       (resid 113 and name N)
       (resid 113 and name CA)
       (resid 113 and name C)
       1 -99.0 5.27 2
assign (resid 113 and name C)
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       (resid 114 and name CA)
       (resid 114 and name C)
       1 -82.8 4.93 2
assign (resid 114 and name C)
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       (resid 115 and name CA)
       (resid 115 and name C)
       1 -115.9 1.93 2
assign (resid 115 and name C)
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       (resid 116 and name C)
       1 -116.2 2.1 2
assign (resid 116 and name C)
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       (resid 117 and name CA)
       (resid 117 and name C)
       1 -87.4 2.08 2
assign (resid 117 and name C)
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       (resid 118 and name CA)
       (resid 118 and name C)
       1 -122.3 6.65 2
assign (resid 118 and name C)
       (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       1 -160.9 2.75 2
assign (resid 119 and name C)
       (resid 120 and name N)
       (resid 120 and name CA)
       (resid 120 and name C)
       1 -84.4 5.24 2
assign (resid 120 and name C)
       (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       1 -121.0 6.24 2
assign (resid 121 and name C)
       (resid 122 and name N)
       (resid 122 and name CA)
       (resid 122 and name C)
       1 -84.7 5.56 2
assign (resid 122 and name C)
       (resid 123 and name N)
       (resid 123 and name CA)
       (resid 123 and name C)
       1 -84.7 3.47 2
assign (resid 123 and name C)
       (resid 124 and name N)
       (resid 124 and name CA)
       (resid 124 and name C)
       1 -94.6 4.35 2
assign (resid 124 and name C)
       (resid 125 and name N)
       (resid 125 and name CA)
       (resid 125 and name C)
       1 -66.3 7.82 2
assign (resid 125 and name C)
       (resid 126 and name N)
       (resid 126 and name CA)
       (resid 126 and name C)
       1 -103.4 3.3 2
assign (resid 126 and name C)
       (resid 127 and name N)
       (resid 127 and name CA)
       (resid 127 and name C)
       1 -114.5 13.71 2
assign (resid 127 and name C)
       (resid 128 and name N)
       (resid 128 and name CA)
       (resid 128 and name C)
       1 -126.0 13.71 2
! PSI
assign (resid 2 and name N)
       (resid 2 and name CA)
       (resid 2 and name C)
       (resid 3 and name N)
       1 94.0 2.14 2
assign (resid 3 and name N)
       (resid 3 and name CA)
       (resid 3 and name C)
       (resid 4 and name N)
       1 -22.4 1.5 2
assign (resid 4 and name N)
       (resid 4 and name CA)
       (resid 4 and name C)
       (resid 5 and name N)
       1 -173.4 10.18 2
assign (resid 5 and name N)
       (resid 5 and name CA)
       (resid 5 and name C)
       (resid 6 and name N)
       1 169.6 6.1 2
assign (resid 6 and name N)
       (resid 6 and name CA)
       (resid 6 and name C)
       (resid 7 and name N)
       1 123.8 8.65 2
assign (resid 7 and name N)
       (resid 7 and name CA)
       (resid 7 and name C)
       (resid 8 and name N)
       1 135.4 9.34 2
assign (resid 8 and name N)
       (resid 8 and name CA)
       (resid 8 and name C)
       (resid 9 and name N)
       1 169.9 10.83 2
assign (resid 9 and name N)
       (resid 9 and name CA)
       (resid 9 and name C)
       (resid 10 and name N)
       1 104.9 16.18 2
assign (resid 10 and name N)
       (resid 10 and name CA)
       (resid 10 and name C)
       (resid 11 and name N)
       1 127.2 2.45 2
assign (resid 11 and name N)
       (resid 11 and name CA)
       (resid 11 and name C)
       (resid 12 and name N)
       1 173.2 1.1 2
assign (resid 12 and name N)
       (resid 12 and name CA)
       (resid 12 and name C)
       (resid 13 and name N)
       1 125.7 6.28 2
assign (resid 13 and name N)
       (resid 13 and name CA)
       (resid 13 and name C)
       (resid 14 and name N)
       1 117.2 14.51 2
assign (resid 14 and name N)
       (resid 14 and name CA)
       (resid 14 and name C)
       (resid 15 and name N)
       1 -12.0 1.49 2
assign (resid 15 and name N)
       (resid 15 and name CA)
       (resid 15 and name C)
       (resid 16 and name N)
       1 51.7 8.56 2
assign (resid 16 and name N)
       (resid 16 and name CA)
       (resid 16 and name C)
       (resid 17 and name N)
       1 22.4 2.43 2
assign (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       (resid 18 and name N)
       1  62.3 3.72 2
assign (resid 18 and name N)
       (resid 18 and name CA)
       (resid 18 and name C)
       (resid 19 and name N)
       1 150.9 11.04 2
assign (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       (resid 20 and name N)
       1 152.1 5.77 2
assign (resid 20 and name N)
       (resid 20 and name CA)
       (resid 20 and name C)
       (resid 21 and name N)
       1 127.8 2.53 2
assign (resid 21 and name N)
       (resid 21 and name CA)
       (resid 21 and name C)
       (resid 22 and name N)
       1 91.7 4.66 2
assign (resid 22 and name N)
       (resid 22 and name CA)
       (resid 22 and name C)
       (resid 23 and name N)
       1 91.9 4.59 2
assign (resid 23 and name N)
       (resid 23 and name CA)
       (resid 23 and name C)
       (resid 24 and name N)
       1 -111.1 5.78 2
assign (resid 24 and name N)
       (resid 24 and name CA)
       (resid 24 and name C)
       (resid 25 and name N)
       1  -70.4 4.55 2
assign (resid 25 and name N)
       (resid 25 and name CA)
       (resid 25 and name C)
       (resid 26 and name N)
       1 150.4 4.76 2
assign (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       (resid 27 and name N)
       1 150.8 2.28 2
assign (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       (resid 28 and name N)
       1 132.9 2.3 2
assign (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       (resid 29 and name N)
       1 56.8 4.69 2
assign (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       (resid 30 and name N)
       1 145.8 6.99 2
assign (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       (resid 31 and name N)
       1 149.3 3.37 2
assign (resid 31 and name N)
       (resid 31 and name CA)
       (resid 31 and name C)
       (resid 32 and name N)
       1 124.9 1.20 2
assign (resid 32 and name N)
       (resid 32 and name CA)
       (resid 32 and name C)
       (resid 33 and name N)
       1 38.0 2.65 2
assign (resid 33 and name N)
       (resid 33 and name CA)
       (resid 33 and name C)
       (resid 34 and name N)
       1 160.8 4.92 2
assign (resid 34 and name N)
       (resid 34 and name CA)
       (resid 34 and name C)
       (resid 35 and name N)
       1 67.4 4.52 2
assign (resid 35 and name N)
       (resid 35 and name CA)
       (resid 35 and name C)
       (resid 36 and name N)
       1 19.0 1.23 2
assign (resid 36 and name N)
       (resid 36 and name CA)
       (resid 36 and name C)
       (resid 37 and name N)
       1 44.6 1.23 2
assign (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       (resid 38 and name N)
       1 167.6 7.39 2
assign (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       (resid 39 and name N)
       1 153.5 9.83 2
assign (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       (resid 40 and name N)
       1 76.7 1.55 2
assign (resid 40 and name N)
       (resid 40 and name CA)
       (resid 40 and name C)
       (resid 41 and name N)
       1 147.0 7.12 2
assign (resid 41 and name N)
       (resid 41 and name CA)
       (resid 41 and name C)
       (resid 42 and name N)
       1 134.4 1.62 2
assign (resid 42 and name N)
       (resid 42 and name CA)
       (resid 42 and name C)
       (resid 43 and name N)
       1 127.1 13.58 2
assign (resid 43 and name N)
       (resid 43 and name CA)
       (resid 43 and name C)
       (resid 44 and name N)
       1 114.1 13.95 2
assign (resid 44 and name N)
       (resid 44 and name CA)
       (resid 44 and name C)
       (resid 45 and name N)
       1 120.1 5.22 2
assign (resid 45 and name N)
       (resid 45 and name CA)
       (resid 45 and name C)
       (resid 46 and name N)
       1 178.1 3.27 2
assign (resid 46 and name N)
       (resid 46 and name CA)
       (resid 46 and name C)
       (resid 47 and name N)
       1 140.4 16.44 2
assign (resid 47 and name N)
       (resid 47 and name CA)
       (resid 47 and name C)
       (resid 48 and name N)
       1 159.8 11.96 2
assign (resid 48 and name N)
       (resid 48 and name CA)
       (resid 48 and name C)
       (resid 49 and name N)
       1 -7.1 21.49 2
assign (resid 49 and name N)
       (resid 49 and name CA)
       (resid 49 and name C)
       (resid 50 and name N)
       1 -54.9 5.17 2
assign (resid 50 and name N)
       (resid 50 and name CA)
       (resid 50 and name C)
       (resid 51 and name N)
       1 71.6 7.85 2
assign (resid 51 and name N)
       (resid 51 and name CA)
       (resid 51 and name C)
       (resid 52 and name N)
       1 57.6 19.44 2
assign (resid 52 and name N)
       (resid 52 and name CA)
       (resid 52 and name C)
       (resid 53 and name N)
       1 89.7 2.06 2
assign (resid 53 and name N)
       (resid 53 and name CA)
       (resid 53 and name C)
       (resid 54 and name N)
       1 113.5 8.05 2
assign (resid 54 and name N)
       (resid 54 and name CA)
       (resid 54 and name C)
       (resid 55 and name N)
       1 165.2 9.51 2
assign (resid 55 and name N)
       (resid 55 and name CA)
       (resid 55 and name C)
       (resid 56 and name N)
       1 122.5 11.71 2
assign (resid 56 and name N)
       (resid 56 and name CA)
       (resid 56 and name C)
       (resid 57 and name N)
       1 166.3 11.89 2
assign (resid 57 and name N)
       (resid 57 and name CA)
       (resid 57 and name C)
       (resid 58 and name N)
       1 138.4 12.67 2
assign (resid 58 and name N)
       (resid 58 and name CA)
       (resid 58 and name C)
       (resid 59 and name N)
       1 125.4 1.62 2
assign (resid 59 and name N)
       (resid 59 and name CA)
       (resid 59 and name C)
       (resid 60 and name N)
       1 88.9 3.54 2
assign (resid 60 and name N)
       (resid 60 and name CA)
       (resid 60 and name C)
       (resid 61 and name N)
       1 137.6 8.67 2
assign (resid 61 and name N)
       (resid 61 and name CA)
       (resid 61 and name C)
       (resid 62 and name N)
       1 58.7 6.74 2
assign (resid 62 and name N)
       (resid 62 and name CA)
       (resid 62 and name C)
       (resid 63 and name N)
       1 139.7 8.21 2
assign (resid 63 and name N)
       (resid 63 and name CA)
       (resid 63 and name C)
       (resid 64 and name N)
       1 -6.7 5.91 2
assign (resid 64 and name N)
       (resid 64 and name CA)
       (resid 64 and name C)
       (resid 65 and name N)
       1 81.2 3.2 2
assign (resid 65 and name N)
       (resid 65 and name CA)
       (resid 65 and name C)
       (resid 66 and name N)
       1 164.8 13.12 2
assign (resid 66 and name N)
       (resid 66 and name CA)
       (resid 66 and name C)
       (resid 67 and name N)
       1 115.9 4.91 2
assign (resid 67 and name N)
       (resid 67 and name CA)
       (resid 67 and name C)
       (resid 68 and name N)
       1 -53.1 4.07 2
assign (resid 68 and name N)
       (resid 68 and name CA)
       (resid 68 and name C)
       (resid 69 and name N)
       1 63.9 7.07 2
assign (resid 69 and name N)
       (resid 69 and name CA)
       (resid 69 and name C)
       (resid 70 and name N)
       1 112.1 5.9 2
assign (resid 70 and name N)
       (resid 70 and name CA)
       (resid 70 and name C)
       (resid 71 and name N)
       1 118.9 3.14 2
assign (resid 71 and name N)
       (resid 71 and name CA)
       (resid 71 and name C)
       (resid 72 and name N)
       1 121.2 13.49 2
assign (resid 72 and name N)
       (resid 72 and name CA)
       (resid 72 and name C)
       (resid 73 and name N)
       1 125.8 12.7 2
assign (resid 73 and name N)
       (resid 73 and name CA)
       (resid 73 and name C)
       (resid 74 and name N)
       1 114.8 25.56 2
assign (resid 74 and name N)
       (resid 74 and name CA)
       (resid 74 and name C)
       (resid 75 and name N)
       1 89.4 21.67 2
assign (resid 75 and name N)
       (resid 75 and name CA)
       (resid 75 and name C)
       (resid 76 and name N)
       1 140.3 9.7 2
assign (resid 76 and name N)
       (resid 76 and name CA)
       (resid 76 and name C)
       (resid 77 and name N)
       1 157.5 5.68 2
assign (resid 77 and name N)
       (resid 77 and name CA)
       (resid 77 and name C)
       (resid 78 and name N)
       1 -43.0 2.54 2
assign (resid 78 and name N)
       (resid 78 and name CA)
       (resid 78 and name C)
       (resid 79 and name N)
       1 -34.1 2.5 2
assign (resid 79 and name N)
       (resid 79 and name CA)
       (resid 79 and name C)
       (resid 80 and name N)
       1 -26.0 4.08 2
assign (resid 80 and name N)
       (resid 80 and name CA)
       (resid 80 and name C)
       (resid 81 and name N)
       1 -45.9 9.66 2
assign (resid 81 and name N)
       (resid 81 and name CA)
       (resid 81 and name C)
       (resid 82 and name N)
       1 -44.7 1.22 2
assign (resid 82 and name N)
       (resid 82 and name CA)
       (resid 82 and name C)
       (resid 83 and name N)
       1 -27.5 15.14 2
assign (resid 83 and name N)
       (resid 83 and name CA)
       (resid 83 and name C)
       (resid 84 and name N)
       1 142.6 5.43 2
assign (resid 84 and name N)
       (resid 84 and name CA)
       (resid 84 and name C)
       (resid 85 and name N)
       1 123.1 8.97 2
assign (resid 85 and name N)
       (resid 85 and name CA)
       (resid 85 and name C)
       (resid 86 and name N)
       1 123.9 11.72 2
assign (resid 86 and name N)
       (resid 86 and name CA)
       (resid 86 and name C)
       (resid 87 and name N)
       1 137.4 2.89 2 
assign (resid 87 and name N)
       (resid 87 and name CA)
       (resid 87 and name C)
       (resid 88 and name N)
       1 129.3 9.03 2
assign (resid 88 and name N)
       (resid 88 and name CA)
       (resid 88 and name C)
       (resid 89 and name N)
       1 106.4 6.1 2
assign (resid 89 and name N)
       (resid 89 and name CA)
       (resid 89 and name C)
       (resid 90 and name N)
       1 127.3 10.23 2
assign (resid 90 and name N)
       (resid 90 and name CA)
       (resid 90 and name C)
       (resid 91 and name N)
       1 145.3 10.22 2
assign (resid 91 and name N)
       (resid 91 and name CA)
       (resid 91 and name C)
       (resid 92 and name N)
       1 125.0 4.79 2
assign (resid 92 and name N)
       (resid 92 and name CA)
       (resid 92 and name C)
       (resid 93 and name N)
       1 111.0 9.59 2
assign (resid 93 and name N)
       (resid 93 and name CA)
       (resid 93 and name C)
       (resid 94 and name N)
       1 14.1 5.57 2
assign (resid 94 and name N)
       (resid 94 and name CA)
       (resid 94 and name C)
       (resid 95 and name N)
       1 -17.7 15.8 2
assign (resid 95 and name N)
       (resid 95 and name CA)
       (resid 95 and name C)
       (resid 96 and name N)
       1 -57.0 24.79 2
assign (resid 96 and name N)
       (resid 96 and name CA)
       (resid 96 and name C)
       (resid 97 and name N)
       1 -176.4 16.55 2
assign (resid 97 and name N)
       (resid 97 and name CA)
       (resid 97 and name C)
       (resid 98 and name N)
       1 125.6 2.82 2
assign (resid 98 and name N)
       (resid 98 and name CA)
       (resid 98 and name C)
       (resid 99 and name N)
       1 123.3 2.29 2
assign (resid 99 and name N)
       (resid 99 and name CA)
       (resid 99 and name C)
       (resid 100 and name N)
       1 120.3 5.03 2
assign (resid 100 and name N)
       (resid 100 and name CA)
       (resid 100 and name C)
       (resid 101 and name N)
       1 137.0 9.69 2
assign (resid 101 and name N)
       (resid 101 and name CA)
       (resid 101 and name C)
       (resid 102 and name N)
       1 -64.3 7.94 2
assign (resid 102 and name N)
       (resid 102 and name CA)
       (resid 102 and name C)
       (resid 103 and name N)
       1 -173.3 9.88 2
assign (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       (resid 104 and name N)
       1 155.6 1.46 2
assign (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       (resid 105 and name N)
       1 159.6 17.34 2
assign (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       (resid 106 and name N)
       1 151.0 30.36 2
assign (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       (resid 107 and name N)
       1 104.0 9.1 2
assign (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       (resid 108 and name N)
       1 132.3 6.29 2
assign (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       (resid 109 and name N)
       1 -32.3 2.34 2
assign (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       (resid 110 and name N)
       1 -26.2 6.88 2
assign (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       (resid 111 and name N)
       1 -18.0 2.44 2
assign (resid 111 and name N)
       (resid 111 and name CA)
       (resid 111 and name C)
       (resid 112 and name N)
       1 119.6 2.28 2
assign (resid 112 and name N)
       (resid 112 and name CA)
       (resid 112 and name C)
       (resid 113 and name N)
       1 113.3 2.3 2
assign (resid 113 and name N)
       (resid 113 and name CA)
       (resid 113 and name C)
       (resid 114 and name N)
       1 62.3 2.74 2
assign (resid 114 and name N)
       (resid 114 and name CA)
       (resid 114 and name C)
       (resid 115 and name N)
       1 -65.9 8.8 2
assign (resid 115 and name N)
       (resid 115 and name CA)
       (resid 115 and name C)
       (resid 116 and name N)
       1 -122.1 11.73 2
assign (resid 116 and name N)
       (resid 116 and name CA)
       (resid 116 and name C)
       (resid 117 and name N)
       1 127.3 2.97 2
assign (resid 117 and name N)
       (resid 117 and name CA)
       (resid 117 and name C)
       (resid 118 and name N)
       1 113.4 9.72 2
assign (resid 118 and name N)
       (resid 118 and name CA)
       (resid 118 and name C)
       (resid 119 and name N)
       1 115.7 3.87 2
assign (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       (resid 120 and name N)
       1 153.9 6.25 2
assign (resid 120 and name N)
       (resid 120 and name CA)
       (resid 120 and name C)
       (resid 121 and name N)
       1 120.7 10.83 2
assign (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       (resid 122 and name N)
       1 137.9 2.6 2
assign (resid 122 and name N)
       (resid 122 and name CA)
       (resid 122 and name C)
       (resid 123 and name N)
       1 138.1 2.82 2
assign (resid 123 and name N)
       (resid 123 and name CA)
       (resid 123 and name C)
       (resid 124 and name N)
       1 117.9 1.27 2 
assign (resid 124 and name N)
       (resid 124 and name CA)
       (resid 124 and name C)
       (resid 125 and name N)
       1 149.4 3.78 2
assign (resid 125 and name N)
       (resid 125 and name CA)
       (resid 125 and name C)
       (resid 126 and name N)
       1  117.1 2.46 2
assign (resid 126 and name N)
       (resid 126 and name CA)
       (resid 126 and name C)
       (resid 127 and name N)
       1 145.5 2.41 2
assign (resid 127 and name N)
       (resid 127 and name CA)
       (resid 127 and name C)
       (resid 128 and name N)
       1 81.7 2.41 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H1       GLU   1 -12.783  -0.241  12.403
    2    H2   GLU   1           H2       GLU   1 -12.760  -1.047  10.914
    3    H3   GLU   1           H3       GLU   1 -12.697   0.650  10.963
    4    HA   GLU   1           HA       GLU   1 -10.536  -0.337  10.482
    5    HB2  GLU   1           HB2      GLU   1 -10.675   0.981  13.173
    6    HB3  GLU   1           HB3      GLU   1  -9.233   0.827  12.205
    7    HG2  GLU   1           HG2      GLU   1 -10.014   3.033  11.938
    8    HG3  GLU   1           HG3      GLU   1 -10.311   2.161  10.434
    9    H    LYS   2           H        LYS   2  -8.558  -1.003  12.081
   10    HA   LYS   2           HA       LYS   2  -7.518  -2.981  12.309
   11    HB2  LYS   2           HB2      LYS   2 -10.030  -3.652  13.866
   12    HB3  LYS   2           HB3      LYS   2  -8.665  -4.756  13.710
   13    HG2  LYS   2           HG2      LYS   2  -8.562  -1.995  14.913
   14    HG3  LYS   2           HG3      LYS   2  -8.588  -3.506  15.803
   15    HD2  LYS   2           HD2      LYS   2  -6.450  -2.721  13.829
   16    HD3  LYS   2           HD3      LYS   2  -6.313  -2.536  15.578
   17    HE2  LYS   2           HE2      LYS   2  -6.883  -5.193  14.292
   18    HE3  LYS   2           HE3      LYS   2  -5.240  -4.599  14.516
   19    HZ1  LYS   2           HZ1      LYS   2  -5.544  -4.548  16.860
   20    HZ2  LYS   2           HZ2      LYS   2  -6.050  -6.074  16.319
   21    HZ3  LYS   2           HZ3      LYS   2  -7.197  -4.896  16.728
   22    H    LEU   3           H        LEU   3  -7.493  -3.181  10.309
   23    HA   LEU   3           HA       LEU   3  -9.866  -3.416   8.809
   24    HB2  LEU   3           HB2      LEU   3  -7.023  -2.809   8.225
   25    HB3  LEU   3           HB3      LEU   3  -8.122  -3.167   6.904
   26    HG   LEU   3           HG       LEU   3  -8.060  -0.813   7.128
   27   HD11  LEU   3          HD11      LEU   3 -10.549  -1.868   8.470
   28   HD12  LEU   3          HD12      LEU   3 -10.383  -0.291   7.694
   29   HD13  LEU   3          HD13      LEU   3 -10.267  -1.763   6.731
   30   HD21  LEU   3          HD21      LEU   3  -8.545   0.356   9.201
   31   HD22  LEU   3          HD22      LEU   3  -8.698  -1.185  10.046
   32   HD23  LEU   3          HD23      LEU   3  -7.138  -0.691   9.386
   33    H    GLY   4           H        GLY   4  -7.782  -5.863   9.847
   34    HA2  GLY   4           HA3      GLY   4  -7.615  -8.045   8.920
   35    HA3  GLY   4           HA2      GLY   4  -8.329  -7.429   7.426
   36    H    LYS   5           H        LYS   5  -6.589  -8.164   6.061
   37    HA   LYS   5           HA       LYS   5  -4.005  -6.957   6.724
   38    HB2  LYS   5           HB2      LYS   5  -4.331  -9.928   6.292
   39    HB3  LYS   5           HB3      LYS   5  -2.813  -9.081   6.535
   40    HG2  LYS   5           HG2      LYS   5  -3.475  -8.481   8.790
   41    HG3  LYS   5           HG3      LYS   5  -5.042  -9.259   8.554
   42    HD2  LYS   5           HD2      LYS   5  -3.668 -10.782   9.766
   43    HD3  LYS   5           HD3      LYS   5  -3.810 -11.399   8.120
   44    HE2  LYS   5           HE2      LYS   5  -1.613 -10.333   7.607
   45    HE3  LYS   5           HE3      LYS   5  -1.475  -9.913   9.313
   46    HZ1  LYS   5           HZ1      LYS   5  -1.683 -12.319   9.814
   47    HZ2  LYS   5           HZ2      LYS   5  -0.283 -11.924   8.949
   48    HZ3  LYS   5           HZ3      LYS   5  -1.601 -12.642   8.151
   49    H    LEU   6           H        LEU   6  -2.392  -7.238   5.094
   50    HA   LEU   6           HA       LEU   6  -3.324  -7.926   2.439
   51    HB2  LEU   6           HB2      LEU   6  -3.546  -5.812   1.775
   52    HB3  LEU   6           HB3      LEU   6  -3.236  -5.314   3.428
   53    HG   LEU   6           HG       LEU   6  -0.869  -5.700   1.666
   54   HD11  LEU   6          HD11      LEU   6  -2.775  -3.350   1.508
   55   HD12  LEU   6          HD12      LEU   6  -1.163  -3.405   0.793
   56   HD13  LEU   6          HD13      LEU   6  -2.422  -4.499   0.209
   57   HD21  LEU   6          HD21      LEU   6  -1.669  -3.678   3.774
   58   HD22  LEU   6          HD22      LEU   6  -0.595  -5.058   4.016
   59   HD23  LEU   6          HD23      LEU   6  -0.110  -3.734   2.953
   60    H    GLN   7           H        GLN   7  -1.921  -9.355   1.781
   61    HA   GLN   7           HA       GLN   7   0.660  -9.472   3.137
   62    HB2  GLN   7           HB2      GLN   7  -0.436 -11.483   1.173
   63    HB3  GLN   7           HB3      GLN   7   0.836 -11.715   2.345
   64    HG2  GLN   7           HG2      GLN   7  -1.045 -12.846   3.195
   65    HG3  GLN   7           HG3      GLN   7  -0.866 -11.384   4.158
   66   HE21  GLN   7          HE21      GLN   7  -2.201 -11.407   0.937
   67   HE22  GLN   7          HE22      GLN   7  -3.822 -11.035   1.391
   68    H    TYR   8           H        TYR   8   2.652  -9.212   2.041
   69    HA   TYR   8           HA       TYR   8   2.374  -8.616  -0.799
   70    HB2  TYR   8           HB2      TYR   8   3.731  -6.545  -0.548
   71    HB3  TYR   8           HB3      TYR   8   2.097  -6.470   0.081
   72    HD1  TYR   8           HD2      TYR   8   4.298  -8.222   2.310
   73    HD2  TYR   8           HD1      TYR   8   3.078  -4.345   1.072
   74    HE1  TYR   8           HE2      TYR   8   5.205  -7.273   4.386
   75    HE2  TYR   8           HE1      TYR   8   3.980  -3.387   3.143
   76    HH   TYR   8           HH       TYR   8   5.654  -5.415   5.531
   77    H    SER   9           H        SER   9   4.337  -8.286  -1.979
   78    HA   SER   9           HA       SER   9   6.754  -9.337  -0.729
   79    HB2  SER   9           HB2      SER   9   7.166 -10.457  -3.067
   80    HB3  SER   9           HB3      SER   9   6.242 -11.295  -1.831
   81    HG   SER   9           HG       SER   9   4.888  -9.628  -3.643
   82    H    LEU  10           H        LEU  10   7.977  -7.667  -0.788
   83    HA   LEU  10           HA       LEU  10   7.773  -5.802  -3.031
   84    HB2  LEU  10           HB2      LEU  10   9.001  -5.045  -0.410
   85    HB3  LEU  10           HB3      LEU  10   8.241  -4.023  -1.607
   86    HG   LEU  10           HG       LEU  10   6.758  -3.941   0.183
   87   HD11  LEU  10          HD11      LEU  10   5.403  -4.455  -1.717
   88   HD12  LEU  10          HD12      LEU  10   5.746  -6.180  -1.552
   89   HD13  LEU  10          HD13      LEU  10   4.776  -5.362  -0.318
   90   HD21  LEU  10          HD21      LEU  10   6.888  -6.890   0.521
   91   HD22  LEU  10          HD22      LEU  10   7.945  -5.768   1.381
   92   HD23  LEU  10          HD23      LEU  10   6.197  -5.693   1.611
   93    H    ASP  11           H        ASP  11   9.609  -5.205  -4.054
   94    HA   ASP  11           HA       ASP  11  12.006  -6.805  -3.443
   95    HB2  ASP  11           HB2      ASP  11  10.717  -8.040  -5.093
   96    HB3  ASP  11           HB3      ASP  11  10.529  -6.602  -6.083
   97    H    TYR  12           H        TYR  12  13.886  -6.046  -4.907
   98    HA   TYR  12           HA       TYR  12  13.709  -3.130  -5.322
   99    HB2  TYR  12           HB2      TYR  12  15.850  -2.810  -4.380
  100    HB3  TYR  12           HB3      TYR  12  15.035  -3.903  -3.270
  101    HD1  TYR  12           HD1      TYR  12  15.472  -6.509  -3.849
  102    HD2  TYR  12           HD2      TYR  12  18.022  -3.286  -4.937
  103    HE1  TYR  12           HE1      TYR  12  17.344  -8.080  -4.088
  104    HE2  TYR  12           HE2      TYR  12  19.905  -4.848  -5.173
  105    HH   TYR  12           HH       TYR  12  20.513  -7.152  -4.207
  106    H    ASP  13           H        ASP  13  13.995  -2.584  -7.363
  107    HA   ASP  13           HA       ASP  13  15.973  -4.076  -8.948
  108    HB2  ASP  13           HB2      ASP  13  13.771  -3.417 -10.040
  109    HB3  ASP  13           HB3      ASP  13  14.268  -1.737  -9.856
  110    H    PHE  14           H        PHE  14  17.976  -3.390  -8.376
  111    HA   PHE  14           HA       PHE  14  18.066  -0.818  -7.038
  112    HB2  PHE  14           HB2      PHE  14  19.066  -3.021  -6.146
  113    HB3  PHE  14           HB3      PHE  14  20.374  -2.731  -7.286
  114    HD1  PHE  14           HD1      PHE  14  18.615  -1.345  -4.352
  115    HD2  PHE  14           HD2      PHE  14  22.099  -1.200  -6.790
  116    HE1  PHE  14           HE1      PHE  14  19.711   0.097  -2.689
  117    HE2  PHE  14           HE2      PHE  14  23.202   0.246  -5.130
  118    HZ   PHE  14           HZ       PHE  14  22.009   0.894  -3.077
  119    H    GLN  15           H        GLN  15  19.055  -2.172 -10.109
  120    HA   GLN  15           HA       GLN  15  20.885   0.050 -10.411
  121    HB2  GLN  15           HB2      GLN  15  21.357  -0.896 -12.627
  122    HB3  GLN  15           HB3      GLN  15  21.670  -2.010 -11.318
  123    HG2  GLN  15           HG2      GLN  15  19.107  -2.095 -12.870
  124    HG3  GLN  15           HG3      GLN  15  20.563  -2.899 -13.450
  125   HE21  GLN  15          HE21      GLN  15  17.911  -3.015 -11.271
  126   HE22  GLN  15          HE22      GLN  15  18.323  -4.527 -10.508
  127    H    ASN  16           H        ASN  16  17.496  -0.065 -10.727
  128    HA   ASN  16           HA       ASN  16  18.057   2.471 -12.097
  129    HB2  ASN  16           HB2      ASN  16  15.614   2.736 -12.280
  130    HB3  ASN  16           HB3      ASN  16  16.193   1.301 -13.101
  131   HD21  ASN  16          HD21      ASN  16  14.247   0.275 -13.056
  132   HD22  ASN  16          HD22      ASN  16  13.536  -0.334 -11.604
  133    H    ASN  17           H        ASN  17  18.120   1.116  -9.226
  134    HA   ASN  17           HA       ASN  17  18.049   1.647  -7.103
  135    HB2  ASN  17           HB2      ASN  17  19.194   3.925  -8.372
  136    HB3  ASN  17           HB3      ASN  17  18.174   4.474  -7.038
  137   HD21  ASN  17          HD21      ASN  17  20.897   4.777  -6.957
  138   HD22  ASN  17          HD22      ASN  17  21.571   3.730  -5.757
  139    H    GLN  18           H        GLN  18  15.639   1.091  -7.849
  140    HA   GLN  18           HA       GLN  18  14.124   2.962  -6.182
  141    HB2  GLN  18           HB2      GLN  18  12.201   2.947  -7.498
  142    HB3  GLN  18           HB3      GLN  18  13.484   3.143  -8.668
  143    HG2  GLN  18           HG2      GLN  18  13.246   1.001  -9.500
  144    HG3  GLN  18           HG3      GLN  18  12.479   0.414  -8.025
  145   HE21  GLN  18          HE21      GLN  18  10.307   0.882  -7.651
  146   HE22  GLN  18          HE22      GLN  18   9.242   1.304  -8.951
  147    H    LEU  19           H        LEU  19  12.553   2.038  -4.968
  148    HA   LEU  19           HA       LEU  19  12.956  -0.826  -4.616
  149    HB2  LEU  19           HB2      LEU  19  11.570   1.227  -2.901
  150    HB3  LEU  19           HB3      LEU  19  11.481  -0.497  -2.575
  151    HG   LEU  19           HG       LEU  19  14.033   1.120  -2.677
  152   HD11  LEU  19          HD11      LEU  19  12.639   1.658  -0.733
  153   HD12  LEU  19          HD12      LEU  19  12.574  -0.054  -0.314
  154   HD13  LEU  19          HD13      LEU  19  14.114   0.805  -0.275
  155   HD21  LEU  19          HD21      LEU  19  15.086  -0.902  -1.809
  156   HD22  LEU  19          HD22      LEU  19  13.544  -1.757  -1.902
  157   HD23  LEU  19          HD23      LEU  19  14.337  -1.200  -3.377
  158    H    LEU  20           H        LEU  20  11.102  -2.235  -4.397
  159    HA   LEU  20           HA       LEU  20   8.766  -1.313  -5.939
  160    HB2  LEU  20           HB2      LEU  20  10.305  -3.902  -6.131
  161    HB3  LEU  20           HB3      LEU  20   8.671  -3.737  -6.741
  162    HG   LEU  20           HG       LEU  20  10.978  -2.038  -7.686
  163   HD11  LEU  20          HD11      LEU  20  10.971  -3.460  -9.683
  164   HD12  LEU  20          HD12      LEU  20  11.410  -4.368  -8.237
  165   HD13  LEU  20          HD13      LEU  20   9.791  -4.523  -8.918
  166   HD21  LEU  20          HD21      LEU  20   8.791  -1.040  -7.992
  167   HD22  LEU  20          HD22      LEU  20   9.449  -1.553  -9.545
  168   HD23  LEU  20          HD23      LEU  20   8.200  -2.516  -8.754
  169    H    VAL  21           H        VAL  21   6.845  -1.754  -4.992
  170    HA   VAL  21           HA       VAL  21   6.870  -3.610  -2.709
  171    HB   VAL  21           HB       VAL  21   5.401  -0.967  -2.971
  172   HG11  VAL  21          HG11      VAL  21   4.003  -2.578  -1.791
  173   HG12  VAL  21          HG12      VAL  21   5.328  -2.931  -0.683
  174   HG13  VAL  21          HG13      VAL  21   4.592  -1.327  -0.696
  175   HG21  VAL  21          HG21      VAL  21   7.600  -1.817  -1.092
  176   HG22  VAL  21          HG22      VAL  21   7.764  -0.711  -2.455
  177   HG23  VAL  21          HG23      VAL  21   6.768  -0.261  -1.071
  178    H    GLY  22           H        GLY  22   6.185  -5.230  -4.159
  179    HA2  GLY  22           HA3      GLY  22   3.637  -4.852  -5.537
  180    HA3  GLY  22           HA2      GLY  22   4.751  -6.207  -5.721
  181    H    ILE  23           H        ILE  23   2.144  -4.874  -3.781
  182    HA   ILE  23           HA       ILE  23   2.430  -6.840  -1.741
  183    HB   ILE  23           HB       ILE  23  -0.123  -5.402  -2.525
  184   HG12  ILE  23          HG12      ILE  23   2.085  -4.276  -0.802
  185   HG13  ILE  23          HG13      ILE  23   1.895  -3.889  -2.506
  186   HG21  ILE  23          HG21      ILE  23   0.923  -6.159   0.196
  187   HG22  ILE  23          HG22      ILE  23  -0.615  -5.372  -0.155
  188   HG23  ILE  23          HG23      ILE  23  -0.328  -7.027  -0.692
  189   HD11  ILE  23          HD11      ILE  23  -0.302  -2.940  -2.041
  190   HD12  ILE  23          HD12      ILE  23  -0.102  -3.327  -0.332
  191   HD13  ILE  23          HD13      ILE  23   0.965  -2.152  -1.100
  192    H    ILE  24           H        ILE  24  -0.317  -7.873  -1.526
  193    HA   ILE  24           HA       ILE  24  -0.556  -9.432  -4.006
  194    HB   ILE  24           HB       ILE  24  -1.147 -10.516  -1.242
  195   HG12  ILE  24          HG12      ILE  24   1.046 -11.246  -3.206
  196   HG13  ILE  24          HG13      ILE  24   1.281 -10.323  -1.727
  197   HG21  ILE  24          HG21      ILE  24  -1.509 -12.638  -2.441
  198   HG22  ILE  24          HG22      ILE  24  -2.655 -11.394  -2.935
  199   HG23  ILE  24          HG23      ILE  24  -1.289 -11.796  -3.975
  200   HD11  ILE  24          HD11      ILE  24   0.323 -13.173  -1.880
  201   HD12  ILE  24          HD12      ILE  24   1.953 -12.646  -1.464
  202   HD13  ILE  24          HD13      ILE  24   0.601 -12.246  -0.407
  203    H    GLN  25           H        GLN  25  -2.359  -9.028  -1.063
  204    HA   GLN  25           HA       GLN  25  -4.535  -7.721  -2.376
  205    HB2  GLN  25           HB2      GLN  25  -6.094  -9.560  -1.461
  206    HB3  GLN  25           HB3      GLN  25  -5.296  -9.808  -3.001
  207    HG2  GLN  25           HG2      GLN  25  -4.830 -11.811  -2.151
  208    HG3  GLN  25           HG3      GLN  25  -3.510 -10.959  -1.356
  209   HE21  GLN  25          HE21      GLN  25  -5.307  -9.560   0.442
  210   HE22  GLN  25          HE22      GLN  25  -5.733 -10.724   1.650
  211    H    ALA  26           H        ALA  26  -5.944  -6.877  -1.053
  212    HA   ALA  26           HA       ALA  26  -5.344  -7.021   1.825
  213    HB1  ALA  26           HB1      ALA  26  -5.367  -4.744   0.928
  214    HB2  ALA  26           HB2      ALA  26  -6.977  -5.008   0.261
  215    HB3  ALA  26           HB3      ALA  26  -6.740  -4.984   2.009
  216    H    ALA  27           H        ALA  27  -7.138  -7.521   3.207
  217    HA   ALA  27           HA       ALA  27  -9.262  -8.926   1.730
  218    HB1  ALA  27           HB1      ALA  27  -7.487 -10.466   2.463
  219    HB2  ALA  27           HB2      ALA  27  -7.832 -10.023   4.135
  220    HB3  ALA  27           HB3      ALA  27  -9.063 -10.833   3.166
  221    H    GLU  28           H        GLU  28 -11.204  -8.365   2.247
  222    HA   GLU  28           HA       GLU  28 -13.089  -8.008   3.448
  223    HB2  GLU  28           HB2      GLU  28 -11.478  -9.413   5.573
  224    HB3  GLU  28           HB3      GLU  28 -13.199  -9.071   5.706
  225    HG2  GLU  28           HG2      GLU  28 -13.634 -10.424   3.737
  226    HG3  GLU  28           HG3      GLU  28 -11.909 -10.740   3.561
  227    H    LEU  29           H        LEU  29 -11.607  -5.703   3.314
  228    HA   LEU  29           HA       LEU  29 -11.866  -4.543   5.976
  229    HB2  LEU  29           HB2      LEU  29 -11.211  -3.098   3.410
  230    HB3  LEU  29           HB3      LEU  29 -10.893  -2.566   5.051
  231    HG   LEU  29           HG       LEU  29  -9.496  -4.905   4.985
  232   HD11  LEU  29          HD11      LEU  29  -9.890  -5.320   2.658
  233   HD12  LEU  29          HD12      LEU  29  -9.332  -3.701   2.235
  234   HD13  LEU  29          HD13      LEU  29  -8.199  -4.881   2.892
  235   HD21  LEU  29          HD21      LEU  29  -8.472  -2.197   4.170
  236   HD22  LEU  29          HD22      LEU  29  -8.667  -2.778   5.827
  237   HD23  LEU  29          HD23      LEU  29  -7.498  -3.549   4.751
  238    HA   PRO  30           HA       PRO  30 -16.004  -3.162   5.891
  239    HB2  PRO  30           HB2      PRO  30 -15.799  -0.418   6.311
  240    HB3  PRO  30           HB3      PRO  30 -15.815  -1.661   7.567
  241    HG2  PRO  30           HG2      PRO  30 -13.496  -0.254   6.317
  242    HG3  PRO  30           HG3      PRO  30 -13.742  -0.737   8.005
  243    HD2  PRO  30           HD2      PRO  30 -12.122  -2.123   6.403
  244    HD3  PRO  30           HD3      PRO  30 -13.160  -2.948   7.586
  245    H    ALA  31           H        ALA  31 -17.599  -2.454   4.626
  246    HA   ALA  31           HA       ALA  31 -16.891  -1.793   1.906
  247    HB1  ALA  31           HB1      ALA  31 -18.354  -3.676   2.459
  248    HB2  ALA  31           HB2      ALA  31 -19.527  -2.552   3.146
  249    HB3  ALA  31           HB3      ALA  31 -19.158  -2.498   1.422
  250    H    LEU  32           H        LEU  32 -17.101   0.189   1.015
  251    HA   LEU  32           HA       LEU  32 -18.985   2.090   2.262
  252    HB2  LEU  32           HB2      LEU  32 -16.303   2.444   1.047
  253    HB3  LEU  32           HB3      LEU  32 -17.470   3.724   0.802
  254    HG   LEU  32           HG       LEU  32 -15.913   4.051   2.730
  255   HD11  LEU  32          HD11      LEU  32 -17.728   4.760   4.285
  256   HD12  LEU  32          HD12      LEU  32 -17.932   5.321   2.624
  257   HD13  LEU  32          HD13      LEU  32 -18.882   3.956   3.220
  258   HD21  LEU  32          HD21      LEU  32 -17.527   1.787   3.904
  259   HD22  LEU  32          HD22      LEU  32 -15.811   1.744   3.497
  260   HD23  LEU  32          HD23      LEU  32 -16.383   2.803   4.789
  261    H    ASP  33           H        ASP  33 -19.820   0.174   0.296
  262    HA   ASP  33           HA       ASP  33 -20.796   2.089  -1.706
  263    HB2  ASP  33           HB2      ASP  33 -18.878   0.878  -2.707
  264    HB3  ASP  33           HB3      ASP  33 -19.689  -0.650  -2.389
  265    H    MET  34           H        MET  34 -22.738   1.295  -2.853
  266    HA   MET  34           HA       MET  34 -24.488   0.164  -0.852
  267    HB2  MET  34           HB2      MET  34 -25.106   2.187  -2.170
  268    HB3  MET  34           HB3      MET  34 -25.173   1.188  -3.614
  269    HG2  MET  34           HG2      MET  34 -27.389   1.591  -2.715
  270    HG3  MET  34           HG3      MET  34 -26.975  -0.122  -2.642
  271    HE1  MET  34           HE1      MET  34 -28.945  -0.584  -0.968
  272    HE2  MET  34           HE2      MET  34 -29.192   0.293   0.541
  273    HE3  MET  34           HE3      MET  34 -29.416   1.115  -1.003
  274    H    GLY  35           H        GLY  35 -23.174  -1.834  -1.154
  275    HA2  GLY  35           HA3      GLY  35 -24.915  -3.793  -2.267
  276    HA3  GLY  35           HA2      GLY  35 -23.410  -3.674  -3.178
  277    H    GLY  36           H        GLY  36 -23.402  -2.831   0.123
  278    HA2  GLY  36           HA3      GLY  36 -22.140  -3.572   1.877
  279    HA3  GLY  36           HA2      GLY  36 -22.714  -5.175   1.428
  280    H    THR  37           H        THR  37 -20.753  -2.980  -0.446
  281    HA   THR  37           HA       THR  37 -18.413  -4.684  -0.107
  282    HB   THR  37           HB       THR  37 -18.000  -4.521  -2.594
  283    HG1  THR  37           HG1      THR  37 -19.622  -2.866  -2.897
  284   HG21  THR  37          HG21      THR  37 -18.767  -6.608  -1.569
  285   HG22  THR  37          HG22      THR  37 -19.478  -6.393  -3.168
  286   HG23  THR  37          HG23      THR  37 -20.440  -6.076  -1.723
  287    H    SER  38           H        SER  38 -16.521  -3.558  -1.223
  288    HA   SER  38           HA       SER  38 -16.777  -0.646  -1.097
  289    HB2  SER  38           HB2      SER  38 -15.550  -1.050   0.801
  290    HB3  SER  38           HB3      SER  38 -14.855  -2.536   0.164
  291    HG   SER  38           HG       SER  38 -14.112   0.144  -0.363
  292    H    ASP  39           H        ASP  39 -15.077   0.484  -2.397
  293    HA   ASP  39           HA       ASP  39 -14.050  -1.199  -4.578
  294    HB2  ASP  39           HB2      ASP  39 -14.966   1.684  -4.616
  295    HB3  ASP  39           HB3      ASP  39 -14.008   0.976  -5.912
  296    HA   PRO  40           HA       PRO  40 -10.533  -0.140  -1.698
  297    HB2  PRO  40           HB2      PRO  40  -9.058  -2.039  -3.214
  298    HB3  PRO  40           HB3      PRO  40  -9.724  -2.228  -1.590
  299    HG2  PRO  40           HG2      PRO  40 -10.866  -3.049  -4.208
  300    HG3  PRO  40           HG3      PRO  40 -11.026  -3.811  -2.617
  301    HD2  PRO  40           HD2      PRO  40 -13.056  -2.466  -3.637
  302    HD3  PRO  40           HD3      PRO  40 -12.638  -2.287  -1.906
  303    H    TYR  41           H        TYR  41  -8.810   0.977  -1.931
  304    HA   TYR  41           HA       TYR  41  -7.379   1.353  -4.372
  305    HB2  TYR  41           HB2      TYR  41  -9.051   3.017  -4.795
  306    HB3  TYR  41           HB3      TYR  41  -9.110   3.494  -3.106
  307    HD1  TYR  41           HD2      TYR  41  -6.796   4.463  -2.210
  308    HD2  TYR  41           HD1      TYR  41  -8.023   4.447  -6.273
  309    HE1  TYR  41           HE2      TYR  41  -5.283   6.318  -2.649
  310    HE2  TYR  41           HE1      TYR  41  -6.520   6.334  -6.736
  311    HH   TYR  41           HH       TYR  41  -5.373   8.088  -5.645
  312    H    VAL  42           H        VAL  42  -5.263   1.492  -3.687
  313    HA   VAL  42           HA       VAL  42  -4.870   2.078  -0.841
  314    HB   VAL  42           HB       VAL  42  -2.985   0.665  -2.735
  315   HG11  VAL  42          HG11      VAL  42  -1.793   1.885  -0.998
  316   HG12  VAL  42          HG12      VAL  42  -2.798   1.131   0.240
  317   HG13  VAL  42          HG13      VAL  42  -1.694   0.146  -0.719
  318   HG21  VAL  42          HG21      VAL  42  -4.924  -0.700  -2.236
  319   HG22  VAL  42          HG22      VAL  42  -3.515  -1.332  -1.384
  320   HG23  VAL  42          HG23      VAL  42  -4.729  -0.395  -0.510
  321    H    LYS  43           H        LYS  43  -4.159   4.021  -0.341
  322    HA   LYS  43           HA       LYS  43  -2.722   5.650  -2.282
  323    HB2  LYS  43           HB2      LYS  43  -3.220   6.117   0.668
  324    HB3  LYS  43           HB3      LYS  43  -2.568   7.294  -0.462
  325    HG2  LYS  43           HG2      LYS  43  -4.667   7.326  -1.670
  326    HG3  LYS  43           HG3      LYS  43  -5.329   6.102  -0.578
  327    HD2  LYS  43           HD2      LYS  43  -6.096   8.264   0.148
  328    HD3  LYS  43           HD3      LYS  43  -4.914   7.651   1.307
  329    HE2  LYS  43           HE2      LYS  43  -4.508   9.999   0.895
  330    HE3  LYS  43           HE3      LYS  43  -3.179   9.034   0.260
  331    HZ1  LYS  43           HZ1      LYS  43  -4.116   9.256  -1.954
  332    HZ2  LYS  43           HZ2      LYS  43  -3.824  10.780  -1.272
  333    HZ3  LYS  43           HZ3      LYS  43  -5.408  10.174  -1.340
  334    H    VAL  44           H        VAL  44  -0.503   5.742  -2.417
  335    HA   VAL  44           HA       VAL  44   0.993   4.631  -0.176
  336    HB   VAL  44           HB       VAL  44   2.444   3.442  -2.019
  337   HG11  VAL  44          HG11      VAL  44   1.165   1.375  -1.663
  338   HG12  VAL  44          HG12      VAL  44   1.358   2.296  -0.171
  339   HG13  VAL  44          HG13      VAL  44  -0.180   2.326  -1.033
  340   HG21  VAL  44          HG21      VAL  44   1.111   2.515  -3.843
  341   HG22  VAL  44          HG22      VAL  44  -0.284   3.454  -3.311
  342   HG23  VAL  44          HG23      VAL  44   1.148   4.276  -3.926
  343    H    PHE  45           H        PHE  45   2.295   6.177   0.376
  344    HA   PHE  45           HA       PHE  45   4.116   7.317  -1.502
  345    HB2  PHE  45           HB2      PHE  45   3.402   9.671  -1.182
  346    HB3  PHE  45           HB3      PHE  45   2.196   8.719  -2.039
  347    HD1  PHE  45           HD2      PHE  45   0.088   8.135  -0.972
  348    HD2  PHE  45           HD1      PHE  45   2.974  10.551   1.014
  349    HE1  PHE  45           HE2      PHE  45  -1.621   8.832   0.654
  350    HE2  PHE  45           HE1      PHE  45   1.271  11.249   2.646
  351    HZ   PHE  45           HZ       PHE  45  -1.029  10.391   2.466
  352    H    LEU  46           H        LEU  46   5.475   8.958  -0.446
  353    HA   LEU  46           HA       LEU  46   5.545   8.694   2.465
  354    HB2  LEU  46           HB2      LEU  46   8.040   9.258   0.939
  355    HB3  LEU  46           HB3      LEU  46   7.843   8.554   2.524
  356    HG   LEU  46           HG       LEU  46   7.586   7.203  -0.151
  357   HD11  LEU  46          HD11      LEU  46   9.819   7.509   0.753
  358   HD12  LEU  46          HD12      LEU  46   9.333   6.712   2.251
  359   HD13  LEU  46          HD13      LEU  46   9.361   5.805   0.737
  360   HD21  LEU  46          HD21      LEU  46   6.957   5.978   2.530
  361   HD22  LEU  46          HD22      LEU  46   5.771   6.375   1.288
  362   HD23  LEU  46          HD23      LEU  46   6.999   5.149   0.972
  363    H    LEU  47           H        LEU  47   6.846  10.511   3.412
  364    HA   LEU  47           HA       LEU  47   6.018  13.116   2.526
  365    HB2  LEU  47           HB2      LEU  47   8.153  12.317   4.524
  366    HB3  LEU  47           HB3      LEU  47   7.453  13.918   4.358
  367    HG   LEU  47           HG       LEU  47   6.063  11.422   5.313
  368   HD11  LEU  47          HD11      LEU  47   5.802  12.702   7.381
  369   HD12  LEU  47          HD12      LEU  47   7.501  12.482   6.963
  370   HD13  LEU  47          HD13      LEU  47   6.714  14.033   6.670
  371   HD21  LEU  47          HD21      LEU  47   4.075  12.779   5.552
  372   HD22  LEU  47          HD22      LEU  47   4.923  14.180   4.891
  373   HD23  LEU  47          HD23      LEU  47   4.607  12.777   3.868
  374    HA   PRO  48           HA       PRO  48   9.965  14.733   0.315
  375    HB2  PRO  48           HB2      PRO  48  11.078  14.957   3.099
  376    HB3  PRO  48           HB3      PRO  48  11.368  15.999   1.700
  377    HG2  PRO  48           HG2      PRO  48   9.584  16.680   3.570
  378    HG3  PRO  48           HG3      PRO  48   9.295  17.016   1.856
  379    HD2  PRO  48           HD2      PRO  48   7.940  15.104   3.631
  380    HD3  PRO  48           HD3      PRO  48   7.419  15.747   2.062
  381    H    ASP  49           H        ASP  49   9.819  12.247   2.536
  382    HA   ASP  49           HA       ASP  49  11.937  10.594   2.036
  383    HB2  ASP  49           HB2      ASP  49   9.036   9.921   2.507
  384    HB3  ASP  49           HB3      ASP  49  10.373   8.781   2.625
  385    H    LYS  50           H        LYS  50   9.800  11.784  -0.289
  386    HA   LYS  50           HA       LYS  50   9.624  11.091  -2.569
  387    HB2  LYS  50           HB2      LYS  50   9.931   8.970  -3.309
  388    HB3  LYS  50           HB3      LYS  50  10.801   8.809  -1.799
  389    HG2  LYS  50           HG2      LYS  50   9.555   6.927  -1.627
  390    HG3  LYS  50           HG3      LYS  50   8.339   8.027  -0.984
  391    HD2  LYS  50           HD2      LYS  50   7.573   8.299  -3.399
  392    HD3  LYS  50           HD3      LYS  50   8.553   6.876  -3.753
  393    HE2  LYS  50           HE2      LYS  50   7.266   5.542  -2.233
  394    HE3  LYS  50           HE3      LYS  50   6.396   6.962  -1.653
  395    HZ1  LYS  50           HZ1      LYS  50   5.032   5.753  -3.198
  396    HZ2  LYS  50           HZ2      LYS  50   6.236   5.793  -4.387
  397    HZ3  LYS  50           HZ3      LYS  50   5.468   7.226  -3.904
  398    H    LYS  51           H        LYS  51   8.102  12.335  -2.131
  399    HA   LYS  51           HA       LYS  51   5.530  11.505  -1.177
  400    HB2  LYS  51           HB2      LYS  51   5.017  13.970  -1.942
  401    HB3  LYS  51           HB3      LYS  51   5.890  13.631  -0.460
  402    HG2  LYS  51           HG2      LYS  51   6.932  15.462  -1.583
  403    HG3  LYS  51           HG3      LYS  51   8.010  14.070  -1.621
  404    HD2  LYS  51           HD2      LYS  51   7.523  13.664  -3.919
  405    HD3  LYS  51           HD3      LYS  51   6.203  14.837  -3.906
  406    HE2  LYS  51           HE2      LYS  51   8.291  15.665  -4.984
  407    HE3  LYS  51           HE3      LYS  51   7.732  16.656  -3.638
  408    HZ1  LYS  51           HZ1      LYS  51  10.157  16.234  -3.647
  409    HZ2  LYS  51           HZ2      LYS  51   9.851  14.587  -3.397
  410    HZ3  LYS  51           HZ3      LYS  51   9.387  15.725  -2.229
  411    H    LYS  52           H        LYS  52   5.587   9.854  -2.875
  412    HA   LYS  52           HA       LYS  52   4.600  10.866  -5.470
  413    HB2  LYS  52           HB2      LYS  52   5.725   8.115  -4.979
  414    HB3  LYS  52           HB3      LYS  52   5.480   8.924  -6.518
  415    HG2  LYS  52           HG2      LYS  52   7.316  10.428  -6.091
  416    HG3  LYS  52           HG3      LYS  52   7.502   9.786  -4.455
  417    HD2  LYS  52           HD2      LYS  52   7.840   7.511  -5.653
  418    HD3  LYS  52           HD3      LYS  52   8.160   8.495  -7.082
  419    HE2  LYS  52           HE2      LYS  52   9.582   8.974  -4.478
  420    HE3  LYS  52           HE3      LYS  52  10.176   7.767  -5.626
  421    HZ1  LYS  52           HZ1      LYS  52  11.315   9.832  -5.995
  422    HZ2  LYS  52           HZ2      LYS  52   9.869  10.709  -6.055
  423    HZ3  LYS  52           HZ3      LYS  52  10.248   9.617  -7.300
  424    H    LYS  53           H        LYS  53   2.395  10.887  -4.923
  425    HA   LYS  53           HA       LYS  53   1.221   8.654  -3.562
  426    HB2  LYS  53           HB2      LYS  53  -0.939   9.775  -4.011
  427    HB3  LYS  53           HB3      LYS  53   0.233  10.849  -3.265
  428    HG2  LYS  53           HG2      LYS  53   0.633  11.966  -5.338
  429    HG3  LYS  53           HG3      LYS  53  -0.334  10.781  -6.217
  430    HD2  LYS  53           HD2      LYS  53  -1.665  12.742  -5.934
  431    HD3  LYS  53           HD3      LYS  53  -2.305  11.499  -4.863
  432    HE2  LYS  53           HE2      LYS  53  -1.070  12.513  -2.988
  433    HE3  LYS  53           HE3      LYS  53  -0.500  13.780  -4.074
  434    HZ1  LYS  53           HZ1      LYS  53  -2.903  14.295  -4.490
  435    HZ2  LYS  53           HZ2      LYS  53  -2.355  14.644  -2.927
  436    HZ3  LYS  53           HZ3      LYS  53  -3.289  13.255  -3.206
  437    H    PHE  54           H        PHE  54   1.262   6.771  -4.565
  438    HA   PHE  54           HA       PHE  54   0.453   6.616  -7.369
  439    HB2  PHE  54           HB2      PHE  54   2.527   5.401  -6.452
  440    HB3  PHE  54           HB3      PHE  54   1.397   4.327  -5.635
  441    HD1  PHE  54           HD1      PHE  54   2.324   5.623  -8.986
  442    HD2  PHE  54           HD2      PHE  54   0.530   2.474  -6.755
  443    HE1  PHE  54           HE1      PHE  54   2.167   4.269 -11.032
  444    HE2  PHE  54           HE2      PHE  54   0.371   1.113  -8.797
  445    HZ   PHE  54           HZ       PHE  54   1.189   2.010 -10.940
  446    H    GLU  55           H        GLU  55  -0.971   4.388  -7.655
  447    HA   GLU  55           HA       GLU  55  -3.009   4.341  -5.620
  448    HB2  GLU  55           HB2      GLU  55  -4.826   5.059  -7.086
  449    HB3  GLU  55           HB3      GLU  55  -3.650   6.337  -6.848
  450    HG2  GLU  55           HG2      GLU  55  -2.777   6.056  -9.040
  451    HG3  GLU  55           HG3      GLU  55  -3.692   4.565  -9.275
  452    H    THR  56           H        THR  56  -3.919   2.467  -5.515
  453    HA   THR  56           HA       THR  56  -3.407   0.338  -7.320
  454    HB   THR  56           HB       THR  56  -5.644   0.530  -5.314
  455    HG1  THR  56           HG1      THR  56  -4.168   0.021  -3.733
  456   HG21  THR  56          HG21      THR  56  -5.674  -1.474  -6.699
  457   HG22  THR  56          HG22      THR  56  -5.278  -1.867  -5.026
  458   HG23  THR  56          HG23      THR  56  -4.006  -1.818  -6.245
  459    H    LYS  57           H        LYS  57  -4.843  -0.621  -8.795
  460    HA   LYS  57           HA       LYS  57  -6.876   1.007  -9.962
  461    HB2  LYS  57           HB2      LYS  57  -5.804  -0.695 -11.311
  462    HB3  LYS  57           HB3      LYS  57  -6.338  -1.959 -10.213
  463    HG2  LYS  57           HG2      LYS  57  -8.624  -1.633 -10.858
  464    HG3  LYS  57           HG3      LYS  57  -8.193  -0.229 -11.832
  465    HD2  LYS  57           HD2      LYS  57  -7.162  -3.016 -12.338
  466    HD3  LYS  57           HD3      LYS  57  -8.576  -2.329 -13.139
  467    HE2  LYS  57           HE2      LYS  57  -5.764  -1.240 -13.251
  468    HE3  LYS  57           HE3      LYS  57  -6.579  -2.133 -14.536
  469    HZ1  LYS  57           HZ1      LYS  57  -6.707   0.189 -15.012
  470    HZ2  LYS  57           HZ2      LYS  57  -7.318   0.540 -13.472
  471    HZ3  LYS  57           HZ3      LYS  57  -8.265  -0.333 -14.578
  472    H    VAL  58           H        VAL  58  -9.107   0.962  -9.689
  473    HA   VAL  58           HA       VAL  58  -9.911   0.175  -7.048
  474    HB   VAL  58           HB       VAL  58 -12.138   1.136  -7.653
  475   HG11  VAL  58          HG11      VAL  58  -9.744   2.898  -8.171
  476   HG12  VAL  58          HG12      VAL  58 -11.360   3.457  -7.736
  477   HG13  VAL  58          HG13      VAL  58 -10.421   2.497  -6.593
  478   HG21  VAL  58          HG21      VAL  58 -10.761   1.788 -10.256
  479   HG22  VAL  58          HG22      VAL  58 -12.135   0.706 -10.039
  480   HG23  VAL  58          HG23      VAL  58 -12.317   2.434  -9.737
  481    H    HIS  59           H        HIS  59 -11.035  -1.492  -6.412
  482    HA   HIS  59           HA       HIS  59 -11.649  -3.558  -8.416
  483    HB2  HIS  59           HB2      HIS  59 -11.235  -3.882  -5.437
  484    HB3  HIS  59           HB3      HIS  59 -11.401  -5.177  -6.621
  485    HD1  HIS  59           HD1      HIS  59  -8.915  -3.388  -4.818
  486    HD2  HIS  59           HD2      HIS  59  -9.161  -4.950  -8.654
  487    HE1  HIS  59           HE1      HIS  59  -6.545  -3.581  -5.614
  488    HE2  HIS  59           HE2      HIS  59  -6.756  -4.207  -8.040
  489    H    ARG  60           H        ARG  60 -13.752  -3.412  -8.970
  490    HA   ARG  60           HA       ARG  60 -15.456  -1.837  -7.307
  491    HB2  ARG  60           HB2      ARG  60 -16.030  -3.225  -9.920
  492    HB3  ARG  60           HB3      ARG  60 -17.161  -2.170  -9.086
  493    HG2  ARG  60           HG2      ARG  60 -16.287  -0.649 -10.501
  494    HG3  ARG  60           HG3      ARG  60 -15.080  -0.510  -9.222
  495    HD2  ARG  60           HD2      ARG  60 -13.978  -0.691 -11.360
  496    HD3  ARG  60           HD3      ARG  60 -13.677  -2.146 -10.412
  497    HE   ARG  60           HE       ARG  60 -15.804  -2.895 -11.835
  498   HH11  ARG  60          HH12      ARG  60 -12.827  -1.324 -12.852
  499   HH12  ARG  60          HH11      ARG  60 -12.920  -1.952 -14.475
  500   HH21  ARG  60          HH22      ARG  60 -15.900  -3.713 -13.949
  501   HH22  ARG  60          HH21      ARG  60 -14.668  -3.288 -15.097
  502    H    LYS  61           H        LYS  61 -16.692  -2.457  -5.836
  503    HA   LYS  61           HA       LYS  61 -18.179  -3.565  -4.558
  504    HB2  LYS  61           HB2      LYS  61 -18.732  -5.446  -6.846
  505    HB3  LYS  61           HB3      LYS  61 -19.826  -4.925  -5.572
  506    HG2  LYS  61           HG2      LYS  61 -18.895  -3.396  -7.975
  507    HG3  LYS  61           HG3      LYS  61 -20.543  -3.793  -7.488
  508    HD2  LYS  61           HD2      LYS  61 -20.620  -2.133  -5.906
  509    HD3  LYS  61           HD3      LYS  61 -18.872  -2.132  -5.667
  510    HE2  LYS  61           HE2      LYS  61 -18.842  -1.278  -8.140
  511    HE3  LYS  61           HE3      LYS  61 -20.506  -0.813  -7.782
  512    HZ1  LYS  61           HZ1      LYS  61 -18.878   0.959  -7.345
  513    HZ2  LYS  61           HZ2      LYS  61 -18.146  -0.005  -6.160
  514    HZ3  LYS  61           HZ3      LYS  61 -19.749   0.524  -5.959
  515    H    THR  62           H        THR  62 -15.532  -4.225  -4.409
  516    HA   THR  62           HA       THR  62 -15.873  -6.547  -2.772
  517    HB   THR  62           HB       THR  62 -15.239  -8.100  -4.306
  518    HG1  THR  62           HG1      THR  62 -12.721  -6.812  -4.078
  519   HG21  THR  62          HG21      THR  62 -15.476  -6.574  -6.217
  520   HG22  THR  62          HG22      THR  62 -14.085  -7.640  -6.416
  521   HG23  THR  62          HG23      THR  62 -13.847  -5.962  -5.928
  522    H    LEU  63           H        LEU  63 -14.813  -5.934  -0.945
  523    HA   LEU  63           HA       LEU  63 -12.381  -4.343  -1.252
  524    HB2  LEU  63           HB2      LEU  63 -14.158  -3.564   0.329
  525    HB3  LEU  63           HB3      LEU  63 -13.762  -4.935   1.349
  526    HG   LEU  63           HG       LEU  63 -11.754  -4.029   2.041
  527   HD11  LEU  63          HD11      LEU  63 -10.781  -3.795  -0.202
  528   HD12  LEU  63          HD12      LEU  63 -11.680  -2.294  -0.425
  529   HD13  LEU  63          HD13      LEU  63 -10.434  -2.401   0.820
  530   HD21  LEU  63          HD21      LEU  63 -13.401  -1.631   1.290
  531   HD22  LEU  63          HD22      LEU  63 -13.470  -2.534   2.804
  532   HD23  LEU  63          HD23      LEU  63 -12.024  -1.607   2.398
  533    H    ASN  64           H        ASN  64 -13.035  -7.489  -1.224
  534    HA   ASN  64           HA       ASN  64 -10.408  -8.035   0.002
  535    HB2  ASN  64           HB2      ASN  64 -12.487  -9.200   0.986
  536    HB3  ASN  64           HB3      ASN  64 -12.526 -10.123  -0.511
  537   HD21  ASN  64          HD21      ASN  64  -9.457  -9.929  -0.487
  538   HD22  ASN  64          HD22      ASN  64  -9.007 -11.218   0.574
  539    HA   PRO  65           HA       PRO  65  -9.978  -8.856  -4.475
  540    HB2  PRO  65           HB2      PRO  65  -8.685  -6.479  -5.003
  541    HB3  PRO  65           HB3      PRO  65 -10.441  -6.667  -5.023
  542    HG2  PRO  65           HG2      PRO  65  -8.920  -5.061  -3.215
  543    HG3  PRO  65           HG3      PRO  65 -10.651  -5.433  -3.124
  544    HD2  PRO  65           HD2      PRO  65  -8.380  -6.798  -1.761
  545    HD3  PRO  65           HD3      PRO  65 -10.017  -6.425  -1.159
  546    H    VAL  66           H        VAL  66  -8.095  -9.564  -5.594
  547    HA   VAL  66           HA       VAL  66  -5.582  -9.048  -4.169
  548    HB   VAL  66           HB       VAL  66  -4.877 -11.183  -4.092
  549   HG11  VAL  66          HG11      VAL  66  -6.998 -11.288  -2.945
  550   HG12  VAL  66          HG12      VAL  66  -7.840 -11.669  -4.447
  551   HG13  VAL  66          HG13      VAL  66  -6.697 -12.823  -3.761
  552   HG21  VAL  66          HG21      VAL  66  -4.672 -11.537  -6.490
  553   HG22  VAL  66          HG22      VAL  66  -5.360 -12.968  -5.723
  554   HG23  VAL  66          HG23      VAL  66  -6.401 -11.863  -6.619
  555    H    PHE  67           H        PHE  67  -4.550  -7.686  -5.307
  556    HA   PHE  67           HA       PHE  67  -4.639  -7.945  -8.203
  557    HB2  PHE  67           HB2      PHE  67  -5.082  -5.687  -7.195
  558    HB3  PHE  67           HB3      PHE  67  -3.364  -5.634  -6.777
  559    HD1  PHE  67           HD2      PHE  67  -5.688  -6.077  -9.634
  560    HD2  PHE  67           HD1      PHE  67  -1.769  -4.998  -8.379
  561    HE1  PHE  67           HE2      PHE  67  -5.157  -5.360 -11.927
  562    HE2  PHE  67           HE1      PHE  67  -1.226  -4.288 -10.672
  563    HZ   PHE  67           HZ       PHE  67  -2.922  -4.465 -12.448
  564    H    ASN  68           H        ASN  68  -2.302  -8.117  -5.556
  565    HA   ASN  68           HA       ASN  68  -0.054  -8.036  -5.509
  566    HB2  ASN  68           HB2      ASN  68  -0.128 -10.158  -6.768
  567    HB3  ASN  68           HB3      ASN  68  -0.238  -9.271  -8.283
  568   HD21  ASN  68          HD21      ASN  68   1.842 -10.116  -5.606
  569   HD22  ASN  68          HD22      ASN  68   3.332  -9.718  -6.382
  570    H    GLU  69           H        GLU  69  -0.036  -5.877  -5.392
  571    HA   GLU  69           HA       GLU  69  -0.233  -4.296  -7.892
  572    HB2  GLU  69           HB2      GLU  69  -2.259  -4.101  -6.494
  573    HB3  GLU  69           HB3      GLU  69  -1.274  -3.610  -5.128
  574    HG2  GLU  69           HG2      GLU  69  -2.172  -1.613  -5.898
  575    HG3  GLU  69           HG3      GLU  69  -0.562  -1.612  -6.612
  576    H    GLN  70           H        GLN  70   1.411  -3.110  -8.305
  577    HA   GLN  70           HA       GLN  70   3.643  -3.059  -6.521
  578    HB2  GLN  70           HB2      GLN  70   3.144  -2.768  -9.353
  579    HB3  GLN  70           HB3      GLN  70   4.245  -1.527  -8.768
  580    HG2  GLN  70           HG2      GLN  70   4.580  -4.496  -8.441
  581    HG3  GLN  70           HG3      GLN  70   5.454  -3.462  -9.571
  582   HE21  GLN  70          HE21      GLN  70   5.469  -1.308  -7.443
  583   HE22  GLN  70          HE22      GLN  70   6.787  -1.769  -6.432
  584    H    PHE  71           H        PHE  71   3.810  -1.621  -5.028
  585    HA   PHE  71           HA       PHE  71   3.030   1.148  -5.447
  586    HB2  PHE  71           HB2      PHE  71   2.491   0.386  -3.288
  587    HB3  PHE  71           HB3      PHE  71   3.989  -0.511  -3.125
  588    HD1  PHE  71           HD1      PHE  71   3.837   3.031  -4.182
  589    HD2  PHE  71           HD2      PHE  71   4.559   0.306  -0.998
  590    HE1  PHE  71           HE1      PHE  71   4.765   4.853  -2.827
  591    HE2  PHE  71           HE2      PHE  71   5.496   2.129   0.356
  592    HZ   PHE  71           HZ       PHE  71   5.598   4.405  -0.557
  593    H    THR  72           H        THR  72   4.370   2.140  -6.731
  594    HA   THR  72           HA       THR  72   7.102   1.551  -7.064
  595    HB   THR  72           HB       THR  72   5.596   4.011  -7.955
  596    HG1  THR  72           HG1      THR  72   5.791   1.358  -8.961
  597   HG21  THR  72          HG21      THR  72   8.033   4.200  -8.178
  598   HG22  THR  72          HG22      THR  72   7.265   4.057  -9.758
  599   HG23  THR  72          HG23      THR  72   8.078   2.663  -9.043
  600    H    PHE  73           H        PHE  73   8.577   1.971  -5.676
  601    HA   PHE  73           HA       PHE  73   8.463   4.400  -4.051
  602    HB2  PHE  73           HB2      PHE  73   8.257   2.177  -2.903
  603    HB3  PHE  73           HB3      PHE  73   9.831   1.740  -3.539
  604    HD1  PHE  73           HD1      PHE  73  11.826   3.197  -2.798
  605    HD2  PHE  73           HD2      PHE  73   8.049   3.162  -0.858
  606    HE1  PHE  73           HE1      PHE  73  12.881   4.030  -0.743
  607    HE2  PHE  73           HE2      PHE  73   9.096   4.009   1.192
  608    HZ   PHE  73           HZ       PHE  73  11.514   4.441   1.256
  609    H    LYS  74           H        LYS  74   9.655   5.704  -5.607
  610    HA   LYS  74           HA       LYS  74  12.085   4.643  -6.729
  611    HB2  LYS  74           HB2      LYS  74  10.453   7.078  -7.140
  612    HB3  LYS  74           HB3      LYS  74  12.170   7.225  -7.482
  613    HG2  LYS  74           HG2      LYS  74  10.486   5.035  -8.660
  614    HG3  LYS  74           HG3      LYS  74  10.655   6.620  -9.419
  615    HD2  LYS  74           HD2      LYS  74  13.046   6.334  -9.583
  616    HD3  LYS  74           HD3      LYS  74  12.959   4.815  -8.692
  617    HE2  LYS  74           HE2      LYS  74  13.195   4.340 -11.037
  618    HE3  LYS  74           HE3      LYS  74  11.578   3.871 -10.513
  619    HZ1  LYS  74           HZ1      LYS  74  12.292   6.358 -11.976
  620    HZ2  LYS  74           HZ2      LYS  74  10.730   5.947 -11.447
  621    HZ3  LYS  74           HZ3      LYS  74  11.501   5.004 -12.625
  622    H    VAL  75           H        VAL  75  12.764   4.363  -4.384
  623    HA   VAL  75           HA       VAL  75  14.750   6.415  -3.836
  624    HB   VAL  75           HB       VAL  75  12.721   5.399  -1.846
  625   HG11  VAL  75          HG11      VAL  75  15.334   6.746  -1.203
  626   HG12  VAL  75          HG12      VAL  75  14.038   6.408  -0.056
  627   HG13  VAL  75          HG13      VAL  75  14.904   5.078  -0.827
  628   HG21  VAL  75          HG21      VAL  75  13.693   8.171  -2.518
  629   HG22  VAL  75          HG22      VAL  75  12.169   7.450  -3.035
  630   HG23  VAL  75          HG23      VAL  75  12.456   7.769  -1.326
  631    HA   PRO  76           HA       PRO  76  17.198   2.628  -3.701
  632    HB2  PRO  76           HB2      PRO  76  19.173   4.489  -2.501
  633    HB3  PRO  76           HB3      PRO  76  19.333   3.420  -3.899
  634    HG2  PRO  76           HG2      PRO  76  19.086   6.033  -4.260
  635    HG3  PRO  76           HG3      PRO  76  18.230   4.892  -5.324
  636    HD2  PRO  76           HD2      PRO  76  17.169   6.478  -3.004
  637    HD3  PRO  76           HD3      PRO  76  16.452   6.216  -4.610
  638    H    TYR  77           H        TYR  77  18.389   1.348  -2.064
  639    HA   TYR  77           HA       TYR  77  17.037   1.254   0.409
  640    HB2  TYR  77           HB2      TYR  77  18.102  -0.741  -0.518
  641    HB3  TYR  77           HB3      TYR  77  19.692  -0.003  -0.341
  642    HD1  TYR  77           HD2      TYR  77  16.841  -1.477   1.471
  643    HD2  TYR  77           HD1      TYR  77  20.786   0.085   1.795
  644    HE1  TYR  77           HE2      TYR  77  17.001  -2.369   3.757
  645    HE2  TYR  77           HE1      TYR  77  20.956  -0.798   4.081
  646    HH   TYR  77           HH       TYR  77  19.417  -1.426   5.924
  647    H    SER  78           H        SER  78  20.263   2.496  -0.413
  648    HA   SER  78           HA       SER  78  21.073   3.327   2.117
  649    HB2  SER  78           HB2      SER  78  21.626   4.832  -0.443
  650    HB3  SER  78           HB3      SER  78  22.666   4.690   0.978
  651    HG   SER  78           HG       SER  78  23.263   3.313  -0.825
  652    H    GLU  79           H        GLU  79  18.805   4.642  -0.090
  653    HA   GLU  79           HA       GLU  79  18.606   7.221   1.194
  654    HB2  GLU  79           HB2      GLU  79  18.045   6.127  -1.397
  655    HB3  GLU  79           HB3      GLU  79  16.571   6.839  -0.737
  656    HG2  GLU  79           HG2      GLU  79  19.101   8.394  -0.618
  657    HG3  GLU  79           HG3      GLU  79  18.246   8.257  -2.154
  658    H    LEU  80           H        LEU  80  17.172   4.139   1.329
  659    HA   LEU  80           HA       LEU  80  14.553   4.614   2.203
  660    HB2  LEU  80           HB2      LEU  80  15.353   2.409   1.551
  661    HB3  LEU  80           HB3      LEU  80  16.572   2.433   2.800
  662    HG   LEU  80           HG       LEU  80  14.445   2.509   4.405
  663   HD11  LEU  80          HD11      LEU  80  13.421   1.214   1.878
  664   HD12  LEU  80          HD12      LEU  80  12.670   1.063   3.469
  665   HD13  LEU  80          HD13      LEU  80  12.763   2.641   2.682
  666   HD21  LEU  80          HD21      LEU  80  14.581   0.067   4.516
  667   HD22  LEU  80          HD22      LEU  80  15.461   0.044   2.989
  668   HD23  LEU  80          HD23      LEU  80  16.178   0.804   4.410
  669    H    GLY  81           H        GLY  81  17.663   4.652   3.842
  670    HA2  GLY  81           HA3      GLY  81  17.055   4.265   6.441
  671    HA3  GLY  81           HA2      GLY  81  18.251   5.431   5.911
  672    H    GLY  82           H        GLY  82  16.766   7.539   4.964
  673    HA2  GLY  82           HA3      GLY  82  15.659   8.693   7.337
  674    HA3  GLY  82           HA2      GLY  82  15.680   9.426   5.747
  675    H    LYS  83           H        LYS  83  14.147   6.620   5.110
  676    HA   LYS  83           HA       LYS  83  11.977   8.502   4.516
  677    HB2  LYS  83           HB2      LYS  83  13.050   6.045   3.259
  678    HB3  LYS  83           HB3      LYS  83  11.365   6.444   2.949
  679    HG2  LYS  83           HG2      LYS  83  13.026   7.310   1.275
  680    HG3  LYS  83           HG3      LYS  83  11.930   8.508   1.959
  681    HD2  LYS  83           HD2      LYS  83  13.801   9.001   3.629
  682    HD3  LYS  83           HD3      LYS  83  14.846   8.077   2.549
  683    HE2  LYS  83           HE2      LYS  83  13.328  10.603   1.933
  684    HE3  LYS  83           HE3      LYS  83  15.075  10.388   1.998
  685    HZ1  LYS  83           HZ1      LYS  83  13.327   9.006   0.043
  686    HZ2  LYS  83           HZ2      LYS  83  15.022   9.083   0.033
  687    HZ3  LYS  83           HZ3      LYS  83  14.108  10.473  -0.275
  688    H    THR  84           H        THR  84   9.721   8.123   4.734
  689    HA   THR  84           HA       THR  84   9.154   5.873   6.560
  690    HB   THR  84           HB       THR  84   7.882   8.615   6.474
  691    HG1  THR  84           HG1      THR  84   9.765   7.258   7.687
  692   HG21  THR  84          HG21      THR  84   7.060   6.216   8.147
  693   HG22  THR  84          HG22      THR  84   6.116   6.865   6.806
  694   HG23  THR  84          HG23      THR  84   6.384   7.844   8.248
  695    H    LEU  85           H        LEU  85   8.052   4.354   5.794
  696    HA   LEU  85           HA       LEU  85   6.466   4.881   3.400
  697    HB2  LEU  85           HB2      LEU  85   7.202   2.333   4.786
  698    HB3  LEU  85           HB3      LEU  85   5.955   2.387   3.548
  699    HG   LEU  85           HG       LEU  85   7.798   3.602   2.170
  700   HD11  LEU  85          HD11      LEU  85  10.037   2.821   2.668
  701   HD12  LEU  85          HD12      LEU  85   9.378   3.742   4.023
  702   HD13  LEU  85          HD13      LEU  85   9.444   1.981   4.102
  703   HD21  LEU  85          HD21      LEU  85   7.761   0.637   2.683
  704   HD22  LEU  85          HD22      LEU  85   6.725   1.530   1.567
  705   HD23  LEU  85          HD23      LEU  85   8.462   1.423   1.268
  706    H    VAL  86           H        VAL  86   4.757   5.889   3.864
  707    HA   VAL  86           HA       VAL  86   2.863   4.407   5.604
  708    HB   VAL  86           HB       VAL  86   1.344   6.262   5.606
  709   HG11  VAL  86          HG11      VAL  86   2.747   7.923   6.790
  710   HG12  VAL  86          HG12      VAL  86   3.056   6.262   7.298
  711   HG13  VAL  86          HG13      VAL  86   4.186   7.079   6.218
  712   HG21  VAL  86          HG21      VAL  86   3.328   7.689   3.823
  713   HG22  VAL  86          HG22      VAL  86   1.716   7.137   3.363
  714   HG23  VAL  86          HG23      VAL  86   1.900   8.416   4.564
  715    H    MET  87           H        MET  87   1.123   3.401   4.922
  716    HA   MET  87           HA       MET  87   0.367   3.584   2.081
  717    HB2  MET  87           HB2      MET  87   1.629   1.566   2.291
  718    HB3  MET  87           HB3      MET  87   0.828   1.139   3.793
  719    HG2  MET  87           HG2      MET  87  -1.207   0.652   2.636
  720    HG3  MET  87           HG3      MET  87  -0.536   1.256   1.120
  721    HE1  MET  87           HE1      MET  87   0.044  -1.458   3.969
  722    HE2  MET  87           HE2      MET  87   1.344  -2.390   3.226
  723    HE3  MET  87           HE3      MET  87   1.613  -0.707   3.681
  724    H    ALA  88           H        ALA  88  -1.914   3.434   1.703
  725    HA   ALA  88           HA       ALA  88  -3.543   3.547   4.146
  726    HB1  ALA  88           HB1      ALA  88  -2.963   5.823   3.803
  727    HB2  ALA  88           HB2      ALA  88  -3.294   5.715   2.074
  728    HB3  ALA  88           HB3      ALA  88  -4.628   5.627   3.233
  729    H    VAL  89           H        VAL  89  -5.062   2.022   3.809
  730    HA   VAL  89           HA       VAL  89  -6.154   1.556   1.180
  731    HB   VAL  89           HB       VAL  89  -7.161   0.585   3.866
  732   HG11  VAL  89          HG11      VAL  89  -8.438  -1.058   2.534
  733   HG12  VAL  89          HG12      VAL  89  -8.950   0.600   2.222
  734   HG13  VAL  89          HG13      VAL  89  -7.923  -0.238   1.060
  735   HG21  VAL  89          HG21      VAL  89  -5.500  -0.772   1.741
  736   HG22  VAL  89          HG22      VAL  89  -4.940  -0.251   3.331
  737   HG23  VAL  89          HG23      VAL  89  -6.130  -1.546   3.196
  738    H    TYR  90           H        TYR  90  -7.592   2.774   0.231
  739    HA   TYR  90           HA       TYR  90  -9.335   4.505   1.830
  740    HB2  TYR  90           HB2      TYR  90  -7.636   5.969   1.050
  741    HB3  TYR  90           HB3      TYR  90  -7.567   5.181  -0.519
  742    HD1  TYR  90           HD1      TYR  90  -9.711   7.352   1.612
  743    HD2  TYR  90           HD2      TYR  90  -8.824   5.977  -2.315
  744    HE1  TYR  90           HE1      TYR  90 -11.214   9.060   0.677
  745    HE2  TYR  90           HE2      TYR  90 -10.321   7.678  -3.260
  746    HH   TYR  90           HH       TYR  90 -12.229   9.032  -2.571
  747    H    ASP  91           H        ASP  91 -11.417   4.497   1.170
  748    HA   ASP  91           HA       ASP  91 -12.063   2.760  -1.091
  749    HB2  ASP  91           HB2      ASP  91 -13.115   2.490   1.171
  750    HB3  ASP  91           HB3      ASP  91 -13.976   4.002   0.874
  751    H    PHE  92           H        PHE  92 -12.453   3.622  -3.020
  752    HA   PHE  92           HA       PHE  92 -13.267   6.437  -3.166
  753    HB2  PHE  92           HB2      PHE  92 -11.476   5.438  -4.686
  754    HB3  PHE  92           HB3      PHE  92 -12.769   4.538  -5.468
  755    HD1  PHE  92           HD2      PHE  92 -12.294   8.071  -4.350
  756    HD2  PHE  92           HD1      PHE  92 -13.356   5.411  -7.498
  757    HE1  PHE  92           HE2      PHE  92 -12.721   9.993  -5.825
  758    HE2  PHE  92           HE1      PHE  92 -13.778   7.328  -8.981
  759    HZ   PHE  92           HZ       PHE  92 -13.460   9.624  -8.146
  760    H    ASP  93           H        ASP  93 -15.462   6.476  -2.520
  761    HA   ASP  93           HA       ASP  93 -17.099   4.295  -3.573
  762    HB2  ASP  93           HB2      ASP  93 -18.744   5.025  -1.860
  763    HB3  ASP  93           HB3      ASP  93 -17.176   4.576  -1.190
  764    H    ARG  94           H        ARG  94 -16.340   7.353  -4.461
  765    HA   ARG  94           HA       ARG  94 -16.986   8.531  -6.280
  766    HB2  ARG  94           HB2      ARG  94 -18.758   6.153  -6.828
  767    HB3  ARG  94           HB3      ARG  94 -18.263   7.374  -7.993
  768    HG2  ARG  94           HG2      ARG  94 -16.085   6.590  -8.085
  769    HG3  ARG  94           HG3      ARG  94 -16.211   5.763  -6.529
  770    HD2  ARG  94           HD2      ARG  94 -17.547   4.979  -9.116
  771    HD3  ARG  94           HD3      ARG  94 -16.232   4.128  -8.301
  772    HE   ARG  94           HE       ARG  94 -17.919   3.872  -6.413
  773   HH11  ARG  94          HH12      ARG  94 -18.777   3.953  -9.801
  774   HH12  ARG  94          HH11      ARG  94 -20.263   3.090  -9.583
  775   HH21  ARG  94          HH22      ARG  94 -19.902   2.753  -6.101
  776   HH22  ARG  94          HH21      ARG  94 -20.923   2.433  -7.482
  777    H    PHE  95           H        PHE  95 -19.091   8.164  -3.769
  778    HA   PHE  95           HA       PHE  95 -21.009   9.995  -4.966
  779    HB2  PHE  95           HB2      PHE  95 -21.803   7.678  -5.497
  780    HB3  PHE  95           HB3      PHE  95 -21.940   7.381  -3.769
  781    HD1  PHE  95           HD1      PHE  95 -23.257   9.362  -6.578
  782    HD2  PHE  95           HD2      PHE  95 -23.811   8.168  -2.532
  783    HE1  PHE  95           HE1      PHE  95 -25.538  10.283  -6.620
  784    HE2  PHE  95           HE2      PHE  95 -26.090   9.091  -2.569
  785    HZ   PHE  95           HZ       PHE  95 -26.955  10.148  -4.614
  786    H    SER  96           H        SER  96 -20.619   7.908  -2.106
  787    HA   SER  96           HA       SER  96 -21.867   9.894  -0.436
  788    HB2  SER  96           HB2      SER  96 -21.274   8.143   1.368
  789    HB3  SER  96           HB3      SER  96 -22.445   7.690   0.132
  790    HG   SER  96           HG       SER  96 -19.684   7.160  -0.215
  791    H    LYS  97           H        LYS  97 -20.509   9.858   1.940
  792    HA   LYS  97           HA       LYS  97 -18.128  11.300   1.375
  793    HB2  LYS  97           HB2      LYS  97 -17.814  11.472   3.760
  794    HB3  LYS  97           HB3      LYS  97 -19.518  11.717   3.414
  795    HG2  LYS  97           HG2      LYS  97 -19.999   9.428   4.113
  796    HG3  LYS  97           HG3      LYS  97 -18.282   9.167   4.438
  797    HD2  LYS  97           HD2      LYS  97 -18.353  10.979   6.108
  798    HD3  LYS  97           HD3      LYS  97 -20.083  11.164   5.809
  799    HE2  LYS  97           HE2      LYS  97 -19.874   9.834   7.756
  800    HE3  LYS  97           HE3      LYS  97 -20.342   8.748   6.451
  801    HZ1  LYS  97           HZ1      LYS  97 -17.585   9.101   7.510
  802    HZ2  LYS  97           HZ2      LYS  97 -18.022   8.057   6.245
  803    HZ3  LYS  97           HZ3      LYS  97 -18.604   7.785   7.811
  804    H    HIS  98           H        HIS  98 -16.224  10.529   0.945
  805    HA   HIS  98           HA       HIS  98 -15.788   7.739   0.863
  806    HB2  HIS  98           HB2      HIS  98 -13.389   8.446   0.268
  807    HB3  HIS  98           HB3      HIS  98 -14.679   8.893  -0.839
  808    HD1  HIS  98           HD1      HIS  98 -12.504  10.434   1.862
  809    HD2  HIS  98           HD2      HIS  98 -14.892  11.561  -1.347
  810    HE1  HIS  98           HE1      HIS  98 -12.088  12.891   1.538
  811    HE2  HIS  98           HE2      HIS  98 -13.611  13.578  -0.349
  812    H    ASP  99           H        ASP  99 -15.390   6.532   2.452
  813    HA   ASP  99           HA       ASP  99 -14.190   7.573   4.895
  814    HB2  ASP  99           HB2      ASP  99 -15.764   5.203   4.169
  815    HB3  ASP  99           HB3      ASP  99 -14.462   4.869   5.305
  816    H    ILE 100           H        ILE 100 -12.031   7.501   5.269
  817    HA   ILE 100           HA       ILE 100 -10.317   5.865   3.738
  818    HB   ILE 100           HB       ILE 100  -9.674   8.000   5.030
  819   HG12  ILE 100          HG12      ILE 100  -7.406   6.747   5.690
  820   HG13  ILE 100          HG13      ILE 100  -8.190   5.465   4.771
  821   HG21  ILE 100          HG21      ILE 100  -8.842   7.697   7.296
  822   HG22  ILE 100          HG22      ILE 100 -10.572   7.363   7.214
  823   HG23  ILE 100          HG23      ILE 100  -9.419   6.031   7.296
  824   HD11  ILE 100          HD11      ILE 100  -7.570   8.225   3.775
  825   HD12  ILE 100          HD12      ILE 100  -6.738   6.733   3.338
  826   HD13  ILE 100          HD13      ILE 100  -8.419   6.977   2.864
  827    H    ILE 101           H        ILE 101  -9.718   3.822   4.121
  828    HA   ILE 101           HA       ILE 101 -11.583   2.356   5.773
  829    HB   ILE 101           HB       ILE 101  -9.551   1.350   3.769
  830   HG12  ILE 101          HG12      ILE 101 -11.275   2.730   2.712
  831   HG13  ILE 101          HG13      ILE 101 -11.486   1.036   2.281
  832   HG21  ILE 101          HG21      ILE 101 -10.854  -0.737   3.847
  833   HG22  ILE 101          HG22      ILE 101 -10.110  -0.345   5.399
  834   HG23  ILE 101          HG23      ILE 101 -11.830  -0.055   5.148
  835   HD11  ILE 101          HD11      ILE 101 -13.620   2.092   2.742
  836   HD12  ILE 101          HD12      ILE 101 -13.274   0.839   3.934
  837   HD13  ILE 101          HD13      ILE 101 -13.068   2.540   4.355
  838    H    GLY 102           H        GLY 102  -8.130   2.548   5.177
  839    HA2  GLY 102           HA3      GLY 102  -7.461   2.156   7.902
  840    HA3  GLY 102           HA2      GLY 102  -7.238   0.676   6.974
  841    H    GLU 103           H        GLU 103  -5.004   1.131   7.733
  842    HA   GLU 103           HA       GLU 103  -3.417   2.540   5.823
  843    HB2  GLU 103           HB2      GLU 103  -4.302   4.463   7.073
  844    HB3  GLU 103           HB3      GLU 103  -3.804   3.727   8.588
  845    HG2  GLU 103           HG2      GLU 103  -1.437   3.804   7.591
  846    HG3  GLU 103           HG3      GLU 103  -2.122   4.955   6.443
  847    H    PHE 104           H        PHE 104  -1.114   2.320   6.394
  848    HA   PHE 104           HA       PHE 104  -0.600   1.011   8.934
  849    HB2  PHE 104           HB2      PHE 104  -0.776  -0.806   7.117
  850    HB3  PHE 104           HB3      PHE 104   0.739  -0.147   6.497
  851    HD1  PHE 104           HD1      PHE 104  -0.841  -1.561   9.534
  852    HD2  PHE 104           HD2      PHE 104   2.782  -0.736   7.474
  853    HE1  PHE 104           HE1      PHE 104   0.406  -2.841  11.221
  854    HE2  PHE 104           HE2      PHE 104   4.038  -2.016   9.154
  855    HZ   PHE 104           HZ       PHE 104   2.850  -3.073  11.032
  856    H    LYS 105           H        LYS 105   1.489   1.358   9.680
  857    HA   LYS 105           HA       LYS 105   2.910   3.504   8.252
  858    HB2  LYS 105           HB2      LYS 105   1.787   3.641  10.748
  859    HB3  LYS 105           HB3      LYS 105   3.423   3.134  11.140
  860    HG2  LYS 105           HG2      LYS 105   3.582   5.425  11.251
  861    HG3  LYS 105           HG3      LYS 105   4.132   5.100   9.607
  862    HD2  LYS 105           HD2      LYS 105   2.596   6.973   9.597
  863    HD3  LYS 105           HD3      LYS 105   1.855   5.596   8.781
  864    HE2  LYS 105           HE2      LYS 105   0.516   5.096  10.695
  865    HE3  LYS 105           HE3      LYS 105   1.365   6.290  11.674
  866    HZ1  LYS 105           HZ1      LYS 105  -0.679   7.247  11.040
  867    HZ2  LYS 105           HZ2      LYS 105  -0.508   6.777   9.427
  868    HZ3  LYS 105           HZ3      LYS 105   0.488   7.996  10.060
  869    H    VAL 106           H        VAL 106   4.881   2.978   7.569
  870    HA   VAL 106           HA       VAL 106   6.144   0.556   8.668
  871    HB   VAL 106           HB       VAL 106   6.203   1.093   5.717
  872   HG11  VAL 106          HG11      VAL 106   6.470  -1.357   5.622
  873   HG12  VAL 106          HG12      VAL 106   7.710  -0.568   6.597
  874   HG13  VAL 106          HG13      VAL 106   6.376  -1.413   7.382
  875   HG21  VAL 106          HG21      VAL 106   4.270  -0.330   5.338
  876   HG22  VAL 106          HG22      VAL 106   3.999  -0.447   7.077
  877   HG23  VAL 106          HG23      VAL 106   3.826   1.106   6.258
  878    HA   PRO 107           HA       PRO 107   9.259   3.839   8.299
  879    HB2  PRO 107           HB2      PRO 107  10.807   2.936  10.340
  880    HB3  PRO 107           HB3      PRO 107   9.414   3.995  10.588
  881    HG2  PRO 107           HG2      PRO 107   9.665   1.062  10.982
  882    HG3  PRO 107           HG3      PRO 107   8.745   2.248  11.926
  883    HD2  PRO 107           HD2      PRO 107   7.660   0.563  10.041
  884    HD3  PRO 107           HD3      PRO 107   6.926   2.099  10.536
  885    H    MET 108           H        MET 108  10.930   3.716   7.096
  886    HA   MET 108           HA       MET 108  11.707   1.596   5.581
  887    HB2  MET 108           HB2      MET 108  13.778   2.951   5.270
  888    HB3  MET 108           HB3      MET 108  12.287   3.824   5.017
  889    HG2  MET 108           HG2      MET 108  14.448   4.301   6.919
  890    HG3  MET 108           HG3      MET 108  13.237   5.388   6.260
  891    HE1  MET 108           HE1      MET 108  14.198   6.216   8.948
  892    HE2  MET 108           HE2      MET 108  12.729   6.925   8.282
  893    HE3  MET 108           HE3      MET 108  12.751   6.347   9.948
  894    H    ASN 109           H        ASN 109  12.947   2.480   8.763
  895    HA   ASN 109           HA       ASN 109  15.436   1.145   8.356
  896    HB2  ASN 109           HB2      ASN 109  14.238   2.131  10.952
  897    HB3  ASN 109           HB3      ASN 109  15.922   1.682  10.686
  898   HD21  ASN 109          HD21      ASN 109  15.746   2.886   7.931
  899   HD22  ASN 109          HD22      ASN 109  15.799   4.615   8.143
  900    H    THR 110           H        THR 110  12.338   0.176   9.303
  901    HA   THR 110           HA       THR 110  13.313  -2.241  10.612
  902    HB   THR 110           HB       THR 110  10.875  -2.805  10.864
  903    HG1  THR 110           HG1      THR 110  10.572  -0.790   9.149
  904   HG21  THR 110          HG21      THR 110  12.102  -1.775  12.683
  905   HG22  THR 110          HG22      THR 110  10.464  -1.122  12.619
  906   HG23  THR 110          HG23      THR 110  11.818  -0.173  12.002
  907    H    VAL 111           H        VAL 111  12.266  -1.167   7.518
  908    HA   VAL 111           HA       VAL 111  11.641  -3.868   6.632
  909    HB   VAL 111           HB       VAL 111  11.671  -1.434   4.870
  910   HG11  VAL 111          HG11      VAL 111  11.541  -3.630   3.793
  911   HG12  VAL 111          HG12      VAL 111  10.117  -4.018   4.756
  912   HG13  VAL 111          HG13      VAL 111  10.052  -2.712   3.572
  913   HG21  VAL 111          HG21      VAL 111   9.295  -1.136   5.357
  914   HG22  VAL 111          HG22      VAL 111   9.384  -2.406   6.577
  915   HG23  VAL 111          HG23      VAL 111  10.282  -0.906   6.801
  916    H    ASP 112           H        ASP 112  13.216  -5.113   5.994
  917    HA   ASP 112           HA       ASP 112  15.752  -4.037   5.107
  918    HB2  ASP 112           HB2      ASP 112  15.763  -5.962   6.619
  919    HB3  ASP 112           HB3      ASP 112  14.837  -6.901   5.453
  920    H    PHE 113           H        PHE 113  15.807  -3.347   3.031
  921    HA   PHE 113           HA       PHE 113  14.533  -5.055   1.019
  922    HB2  PHE 113           HB2      PHE 113  15.451  -2.191   0.958
  923    HB3  PHE 113           HB3      PHE 113  15.124  -3.081  -0.525
  924    HD1  PHE 113           HD2      PHE 113  12.827  -4.035  -0.879
  925    HD2  PHE 113           HD1      PHE 113  13.712  -1.245   2.210
  926    HE1  PHE 113           HE2      PHE 113  10.435  -3.496  -0.688
  927    HE2  PHE 113           HE1      PHE 113  11.322  -0.701   2.408
  928    HZ   PHE 113           HZ       PHE 113   9.680  -1.827   0.958
  929    H    GLY 114           H        GLY 114  16.530  -6.369   1.937
  930    HA2  GLY 114           HA3      GLY 114  18.974  -5.900   0.489
  931    HA3  GLY 114           HA2      GLY 114  18.559  -7.342   1.407
  932    H    HIS 115           H        HIS 115  16.478  -8.414   0.332
  933    HA   HIS 115           HA       HIS 115  16.849  -8.480  -2.567
  934    HB2  HIS 115           HB2      HIS 115  16.484 -10.804  -0.697
  935    HB3  HIS 115           HB3      HIS 115  16.006 -10.917  -2.388
  936    HD1  HIS 115           HD1      HIS 115  17.917 -10.807  -4.170
  937    HD2  HIS 115           HD2      HIS 115  19.217 -10.921  -0.218
  938    HE1  HIS 115           HE1      HIS 115  20.368 -11.363  -4.276
  939    HE2  HIS 115           HE2      HIS 115  21.091 -11.604  -1.872
  940    H    VAL 116           H        VAL 116  14.464 -10.498  -1.186
  941    HA   VAL 116           HA       VAL 116  12.393  -8.576  -2.000
  942    HB   VAL 116           HB       VAL 116  10.911 -10.618  -2.223
  943   HG11  VAL 116          HG11      VAL 116  13.303 -10.433  -4.045
  944   HG12  VAL 116          HG12      VAL 116  11.771 -11.217  -4.433
  945   HG13  VAL 116          HG13      VAL 116  11.830  -9.474  -4.164
  946   HG21  VAL 116          HG21      VAL 116  13.562 -12.055  -2.092
  947   HG22  VAL 116          HG22      VAL 116  12.251 -12.182  -0.920
  948   HG23  VAL 116          HG23      VAL 116  12.024 -12.777  -2.565
  949    H    THR 117           H        THR 117  11.076  -7.851  -0.507
  950    HA   THR 117           HA       THR 117  11.134  -9.006   2.161
  951    HB   THR 117           HB       THR 117   9.792  -6.490   1.152
  952    HG1  THR 117           HG1      THR 117  12.294  -7.137   2.184
  953   HG21  THR 117          HG21      THR 117   9.553  -5.930   3.536
  954   HG22  THR 117          HG22      THR 117  10.212  -7.509   3.968
  955   HG23  THR 117          HG23      THR 117   8.662  -7.398   3.132
  956    H    GLU 118           H        GLU 118   9.918 -10.719   2.280
  957    HA   GLU 118           HA       GLU 118   7.140 -10.503   1.320
  958    HB2  GLU 118           HB2      GLU 118   8.827 -12.997   1.626
  959    HB3  GLU 118           HB3      GLU 118   7.134 -12.968   1.144
  960    HG2  GLU 118           HG2      GLU 118   7.724 -11.685  -0.850
  961    HG3  GLU 118           HG3      GLU 118   9.419 -11.726  -0.370
  962    H    GLU 119           H        GLU 119   5.889 -10.037   2.981
  963    HA   GLU 119           HA       GLU 119   5.779 -11.906   5.167
  964    HB2  GLU 119           HB2      GLU 119   5.856 -10.166   6.923
  965    HB3  GLU 119           HB3      GLU 119   7.395 -10.331   6.093
  966    HG2  GLU 119           HG2      GLU 119   7.274  -8.269   5.158
  967    HG3  GLU 119           HG3      GLU 119   5.513  -8.286   5.077
  968    H    TRP 120           H        TRP 120   3.814 -11.560   6.413
  969    HA   TRP 120           HA       TRP 120   1.750 -10.564   4.623
  970    HB2  TRP 120           HB2      TRP 120   1.348 -11.954   7.275
  971    HB3  TRP 120           HB3      TRP 120   0.218 -11.842   5.929
  972    HD1  TRP 120           HD1      TRP 120   1.650 -14.533   7.419
  973    HE1  TRP 120           HE1      TRP 120   2.592 -16.329   5.830
  974    HE3  TRP 120           HE3      TRP 120   2.026 -11.740   3.165
  975    HZ2  TRP 120           HZ2      TRP 120   3.391 -16.528   3.120
  976    HZ3  TRP 120           HZ3      TRP 120   2.872 -12.783   1.119
  977    HH2  TRP 120           HH2      TRP 120   3.551 -15.141   1.096
  978    H    ARG 121           H        ARG 121   1.354  -8.402   4.793
  979    HA   ARG 121           HA       ARG 121   1.767  -7.249   7.469
  980    HB2  ARG 121           HB2      ARG 121   3.120  -6.444   5.605
  981    HB3  ARG 121           HB3      ARG 121   1.678  -5.968   4.737
  982    HG2  ARG 121           HG2      ARG 121   2.524  -3.992   5.660
  983    HG3  ARG 121           HG3      ARG 121   1.206  -4.446   6.744
  984    HD2  ARG 121           HD2      ARG 121   4.046  -5.279   7.257
  985    HD3  ARG 121           HD3      ARG 121   3.421  -3.724   7.799
  986    HE   ARG 121           HE       ARG 121   1.659  -5.195   8.937
  987   HH11  ARG 121          HH12      ARG 121   4.969  -6.193   8.458
  988   HH12  ARG 121          HH11      ARG 121   5.043  -7.065   9.963
  989   HH21  ARG 121          HH22      ARG 121   1.740  -6.327  10.892
  990   HH22  ARG 121          HH21      ARG 121   3.225  -7.116  11.369
  991    H    ASP 122           H        ASP 122   0.242  -6.007   8.470
  992    HA   ASP 122           HA       ASP 122  -2.469  -6.675   7.692
  993    HB2  ASP 122           HB2      ASP 122  -3.024  -6.200  10.063
  994    HB3  ASP 122           HB3      ASP 122  -1.815  -7.466   9.890
  995    H    LEU 123           H        LEU 123  -4.066  -5.151   7.509
  996    HA   LEU 123           HA       LEU 123  -3.177  -2.400   7.355
  997    HB2  LEU 123           HB2      LEU 123  -5.651  -3.836   6.542
  998    HB3  LEU 123           HB3      LEU 123  -5.768  -2.123   6.894
  999    HG   LEU 123           HG       LEU 123  -5.423  -2.164   4.610
 1000   HD11  LEU 123          HD11      LEU 123  -2.651  -1.948   5.765
 1001   HD12  LEU 123          HD12      LEU 123  -3.211  -1.261   4.240
 1002   HD13  LEU 123          HD13      LEU 123  -3.867  -0.667   5.770
 1003   HD21  LEU 123          HD21      LEU 123  -3.766  -3.587   3.476
 1004   HD22  LEU 123          HD22      LEU 123  -3.344  -4.304   5.032
 1005   HD23  LEU 123          HD23      LEU 123  -4.960  -4.530   4.370
 1006    H    GLN 124           H        GLN 124  -3.264  -1.097   8.964
 1007    HA   GLN 124           HA       GLN 124  -4.691  -1.917  11.348
 1008    HB2  GLN 124           HB2      GLN 124  -3.264  -0.456  12.605
 1009    HB3  GLN 124           HB3      GLN 124  -2.242  -1.386  11.523
 1010    HG2  GLN 124           HG2      GLN 124  -2.122   0.533  10.004
 1011    HG3  GLN 124           HG3      GLN 124  -3.118   1.465  11.119
 1012   HE21  GLN 124          HE21      GLN 124  -1.506   3.015  11.390
 1013   HE22  GLN 124          HE22      GLN 124  -0.083   2.701  12.330
 1014    H    SER 125           H        SER 125  -5.964  -0.454  12.421
 1015    HA   SER 125           HA       SER 125  -7.845   1.003  11.158
 1016    HB2  SER 125           HB2      SER 125  -6.726   1.765  13.858
 1017    HB3  SER 125           HB3      SER 125  -8.401   1.864  13.311
 1018    HG   SER 125           HG       SER 125  -7.326  -0.091  14.622
 1019    H    ALA 126           H        ALA 126  -7.626   2.770   9.792
 1020    HA   ALA 126           HA       ALA 126  -5.819   4.889  10.692
 1021    HB1  ALA 126           HB1      ALA 126  -5.747   4.285   8.316
 1022    HB2  ALA 126           HB2      ALA 126  -7.457   4.687   8.166
 1023    HB3  ALA 126           HB3      ALA 126  -6.286   5.948   8.550
 1024    H    GLU 127           H        GLU 127  -6.554   6.647  11.630
 1025    HA   GLU 127           HA       GLU 127  -9.410   7.299  11.411
 1026    HB2  GLU 127           HB2      GLU 127  -7.486   7.841  13.676
 1027    HB3  GLU 127           HB3      GLU 127  -9.086   8.564  13.563
 1028    HG2  GLU 127           HG2      GLU 127 -10.052   6.281  13.533
 1029    HG3  GLU 127           HG3      GLU 127  -8.433   5.638  13.809
 1030    H    LYS 128           H        LYS 128  -9.093   8.432   9.521
 1031    HA   LYS 128           HA       LYS 128  -7.428  10.849   9.715
 1032    HB2  LYS 128           HB2      LYS 128  -6.668   9.322   7.965
 1033    HB3  LYS 128           HB3      LYS 128  -8.282   9.274   7.271
 1034    HG2  LYS 128           HG2      LYS 128  -8.109  11.669   6.750
 1035    HG3  LYS 128           HG3      LYS 128  -6.472  11.677   7.410
 1036    HD2  LYS 128           HD2      LYS 128  -7.401   9.980   5.095
 1037    HD3  LYS 128           HD3      LYS 128  -6.519  11.499   4.946
 1038    HE2  LYS 128           HE2      LYS 128  -5.507   9.038   6.368
 1039    HE3  LYS 128           HE3      LYS 128  -5.069   9.510   4.726
 1040    HZ1  LYS 128           HZ1      LYS 128  -3.367  10.213   6.243
 1041    HZ2  LYS 128           HZ2      LYS 128  -4.488  11.027   7.219
 1042    HZ3  LYS 128           HZ3      LYS 128  -4.168  11.591   5.655
  Start of MODEL    2
    1    H1   GLU   1           H1       GLU   1  -8.276  -1.686  16.396
    2    H2   GLU   1           H2       GLU   1  -7.379  -0.275  16.136
    3    H3   GLU   1           H3       GLU   1  -6.673  -1.785  15.853
    4    HA   GLU   1           HA       GLU   1  -8.992  -0.708  14.355
    5    HB2  GLU   1           HB2      GLU   1  -6.266  -1.138  13.165
    6    HB3  GLU   1           HB3      GLU   1  -7.585  -0.135  12.575
    7    HG2  GLU   1           HG2      GLU   1  -5.906   1.316  13.254
    8    HG3  GLU   1           HG3      GLU   1  -7.147   1.402  14.502
    9    H    LYS   2           H        LYS   2  -9.005  -1.984  12.163
   10    HA   LYS   2           HA       LYS   2  -7.958  -4.556  12.008
   11    HB2  LYS   2           HB2      LYS   2 -10.327  -5.704  12.255
   12    HB3  LYS   2           HB3      LYS   2  -9.267  -5.502  13.639
   13    HG2  LYS   2           HG2      LYS   2 -11.265  -4.809  14.499
   14    HG3  LYS   2           HG3      LYS   2 -10.580  -3.281  13.978
   15    HD2  LYS   2           HD2      LYS   2 -12.935  -3.440  13.373
   16    HD3  LYS   2           HD3      LYS   2 -11.918  -3.375  11.934
   17    HE2  LYS   2           HE2      LYS   2 -13.728  -5.030  11.726
   18    HE3  LYS   2           HE3      LYS   2 -12.131  -5.768  11.635
   19    HZ1  LYS   2           HZ1      LYS   2 -12.409  -6.845  13.589
   20    HZ2  LYS   2           HZ2      LYS   2 -14.040  -6.753  13.141
   21    HZ3  LYS   2           HZ3      LYS   2 -13.404  -5.649  14.263
   22    H    LEU   3           H        LEU   3  -7.629  -3.553  10.059
   23    HA   LEU   3           HA       LEU   3  -9.774  -3.019   8.308
   24    HB2  LEU   3           HB2      LEU   3  -7.791  -1.610   8.423
   25    HB3  LEU   3           HB3      LEU   3  -6.796  -2.969   7.966
   26    HG   LEU   3           HG       LEU   3  -7.827  -2.979   5.757
   27   HD11  LEU   3          HD11      LEU   3 -10.005  -2.030   6.438
   28   HD12  LEU   3          HD12      LEU   3  -9.213  -0.473   6.688
   29   HD13  LEU   3          HD13      LEU   3  -9.285  -1.178   5.073
   30   HD21  LEU   3          HD21      LEU   3  -5.792  -1.720   6.185
   31   HD22  LEU   3          HD22      LEU   3  -6.797  -0.926   4.971
   32   HD23  LEU   3          HD23      LEU   3  -6.759  -0.307   6.621
   33    H    GLY   4           H        GLY   4  -8.168  -5.762   9.311
   34    HA2  GLY   4           HA3      GLY   4  -8.097  -7.894   8.268
   35    HA3  GLY   4           HA2      GLY   4  -8.434  -7.115   6.719
   36    H    LYS   5           H        LYS   5  -6.526  -8.204   5.789
   37    HA   LYS   5           HA       LYS   5  -4.091  -6.825   6.590
   38    HB2  LYS   5           HB2      LYS   5  -3.955  -9.766   5.997
   39    HB3  LYS   5           HB3      LYS   5  -2.758  -8.744   6.771
   40    HG2  LYS   5           HG2      LYS   5  -4.360  -8.498   8.694
   41    HG3  LYS   5           HG3      LYS   5  -5.329  -9.765   7.941
   42    HD2  LYS   5           HD2      LYS   5  -3.952 -10.825   9.562
   43    HD3  LYS   5           HD3      LYS   5  -3.263 -11.210   7.983
   44    HE2  LYS   5           HE2      LYS   5  -1.548  -9.569   8.256
   45    HE3  LYS   5           HE3      LYS   5  -2.305  -8.944   9.719
   46    HZ1  LYS   5           HZ1      LYS   5  -0.477 -10.304  10.337
   47    HZ2  LYS   5           HZ2      LYS   5  -1.004 -11.592   9.366
   48    HZ3  LYS   5           HZ3      LYS   5  -1.887 -11.151  10.745
   49    H    LEU   6           H        LEU   6  -2.395  -7.006   5.068
   50    HA   LEU   6           HA       LEU   6  -3.254  -7.510   2.324
   51    HB2  LEU   6           HB2      LEU   6  -3.252  -5.257   2.094
   52    HB3  LEU   6           HB3      LEU   6  -2.459  -5.057   3.634
   53    HG   LEU   6           HG       LEU   6  -0.568  -5.884   1.627
   54   HD11  LEU   6          HD11      LEU   6  -0.608  -3.955   0.234
   55   HD12  LEU   6          HD12      LEU   6  -2.239  -4.621   0.200
   56   HD13  LEU   6          HD13      LEU   6  -1.889  -3.194   1.191
   57   HD21  LEU   6          HD21      LEU   6   0.616  -3.962   2.570
   58   HD22  LEU   6          HD22      LEU   6  -0.870  -3.399   3.344
   59   HD23  LEU   6          HD23      LEU   6  -0.109  -4.904   3.877
   60    H    GLN   7           H        GLN   7  -2.076  -9.143   1.750
   61    HA   GLN   7           HA       GLN   7   0.407  -9.655   3.143
   62    HB2  GLN   7           HB2      GLN   7   0.121 -11.780   1.517
   63    HB3  GLN   7           HB3      GLN   7  -0.671 -11.670   3.082
   64    HG2  GLN   7           HG2      GLN   7  -2.135 -10.567   0.757
   65    HG3  GLN   7           HG3      GLN   7  -1.952 -12.318   0.837
   66   HE21  GLN   7          HE21      GLN   7  -3.423  -9.514   2.321
   67   HE22  GLN   7          HE22      GLN   7  -4.529 -10.390   3.311
   68    H    TYR   8           H        TYR   8   2.297  -9.054   2.227
   69    HA   TYR   8           HA       TYR   8   2.248  -8.692  -0.687
   70    HB2  TYR   8           HB2      TYR   8   3.561  -6.645  -0.457
   71    HB3  TYR   8           HB3      TYR   8   1.979  -6.536   0.295
   72    HD1  TYR   8           HD2      TYR   8   4.900  -8.180   1.820
   73    HD2  TYR   8           HD1      TYR   8   2.477  -4.688   1.772
   74    HE1  TYR   8           HE2      TYR   8   5.943  -7.433   3.913
   75    HE2  TYR   8           HE1      TYR   8   3.507  -3.936   3.868
   76    HH   TYR   8           HH       TYR   8   4.697  -4.830   5.761
   77    H    SER   9           H        SER   9   4.373  -8.248  -1.659
   78    HA   SER   9           HA       SER   9   6.675  -9.355  -0.277
   79    HB2  SER   9           HB2      SER   9   7.242 -10.901  -2.084
   80    HB3  SER   9           HB3      SER   9   5.707 -11.327  -1.347
   81    HG   SER   9           HG       SER   9   5.720 -11.398  -3.676
   82    H    LEU  10           H        LEU  10   7.999  -7.804  -0.396
   83    HA   LEU  10           HA       LEU  10   8.028  -5.993  -2.694
   84    HB2  LEU  10           HB2      LEU  10   8.934  -5.081  -0.020
   85    HB3  LEU  10           HB3      LEU  10   8.164  -4.181  -1.305
   86    HG   LEU  10           HG       LEU  10   6.867  -5.914   0.787
   87   HD11  LEU  10          HD11      LEU  10   6.666  -3.050  -0.056
   88   HD12  LEU  10          HD12      LEU  10   5.607  -3.812   1.136
   89   HD13  LEU  10          HD13      LEU  10   7.342  -3.684   1.446
   90   HD21  LEU  10          HD21      LEU  10   5.788  -6.396  -1.394
   91   HD22  LEU  10          HD22      LEU  10   4.720  -5.576  -0.246
   92   HD23  LEU  10          HD23      LEU  10   5.463  -4.669  -1.582
   93    H    ASP  11           H        ASP  11   9.950  -5.440  -3.571
   94    HA   ASP  11           HA       ASP  11  12.442  -6.344  -2.273
   95    HB2  ASP  11           HB2      ASP  11  13.336  -7.175  -4.385
   96    HB3  ASP  11           HB3      ASP  11  11.845  -8.021  -3.993
   97    H    TYR  12           H        TYR  12  14.430  -5.302  -3.567
   98    HA   TYR  12           HA       TYR  12  13.584  -2.694  -4.768
   99    HB2  TYR  12           HB2      TYR  12  15.547  -1.633  -3.892
  100    HB3  TYR  12           HB3      TYR  12  14.675  -2.378  -2.561
  101    HD1  TYR  12           HD1      TYR  12  15.558  -4.545  -1.609
  102    HD2  TYR  12           HD2      TYR  12  17.788  -2.156  -4.327
  103    HE1  TYR  12           HE1      TYR  12  17.620  -5.665  -0.892
  104    HE2  TYR  12           HE2      TYR  12  19.860  -3.272  -3.621
  105    HH   TYR  12           HH       TYR  12  19.803  -6.031  -1.447
  106    H    ASP  13           H        ASP  13  13.955  -2.577  -6.796
  107    HA   ASP  13           HA       ASP  13  16.232  -3.957  -7.989
  108    HB2  ASP  13           HB2      ASP  13  13.996  -3.704  -9.196
  109    HB3  ASP  13           HB3      ASP  13  14.350  -1.981  -9.313
  110    H    PHE  14           H        PHE  14  18.212  -2.884  -8.104
  111    HA   PHE  14           HA       PHE  14  18.012  -0.428  -6.568
  112    HB2  PHE  14           HB2      PHE  14  20.413  -0.805  -6.034
  113    HB3  PHE  14           HB3      PHE  14  19.338  -2.092  -5.507
  114    HD1  PHE  14           HD2      PHE  14  21.964  -1.154  -7.887
  115    HD2  PHE  14           HD1      PHE  14  19.494  -4.300  -6.432
  116    HE1  PHE  14           HE2      PHE  14  23.371  -2.795  -9.060
  117    HE2  PHE  14           HE1      PHE  14  20.897  -5.946  -7.604
  118    HZ   PHE  14           HZ       PHE  14  22.857  -5.206  -8.880
  119    H    GLN  15           H        GLN  15  19.105  -1.333  -9.840
  120    HA   GLN  15           HA       GLN  15  20.532   1.194  -9.827
  121    HB2  GLN  15           HB2      GLN  15  21.680   0.488 -11.665
  122    HB3  GLN  15           HB3      GLN  15  21.358  -1.031 -10.871
  123    HG2  GLN  15           HG2      GLN  15  19.877   0.086 -13.231
  124    HG3  GLN  15           HG3      GLN  15  21.062  -1.210 -13.262
  125   HE21  GLN  15          HE21      GLN  15  17.823  -0.320 -12.683
  126   HE22  GLN  15          HE22      GLN  15  17.204  -1.892 -12.302
  127    H    ASN  16           H        ASN  16  17.284   0.415 -10.346
  128    HA   ASN  16           HA       ASN  16  17.198   3.076 -11.570
  129    HB2  ASN  16           HB2      ASN  16  14.666   2.546 -11.436
  130    HB3  ASN  16           HB3      ASN  16  15.623   1.781 -12.692
  131   HD21  ASN  16          HD21      ASN  16  14.145   0.100 -12.859
  132   HD22  ASN  16          HD22      ASN  16  14.037  -1.138 -11.655
  133    H    ASN  17           H        ASN  17  17.500   1.576  -8.727
  134    HA   ASN  17           HA       ASN  17  17.462   2.143  -6.599
  135    HB2  ASN  17           HB2      ASN  17  17.322   4.837  -7.866
  136    HB3  ASN  17           HB3      ASN  17  17.155   4.677  -6.131
  137   HD21  ASN  17          HD21      ASN  17  19.227   5.953  -7.687
  138   HD22  ASN  17          HD22      ASN  17  20.719   5.192  -7.228
  139    H    GLN  18           H        GLN  18  15.247   0.997  -7.163
  140    HA   GLN  18           HA       GLN  18  13.229   2.688  -5.919
  141    HB2  GLN  18           HB2      GLN  18  11.528   1.735  -7.444
  142    HB3  GLN  18           HB3      GLN  18  12.673   2.773  -8.263
  143    HG2  GLN  18           HG2      GLN  18  13.018   1.151  -9.708
  144    HG3  GLN  18           HG3      GLN  18  13.715   0.187  -8.411
  145   HE21  GLN  18          HE21      GLN  18  11.117   0.049  -7.015
  146   HE22  GLN  18          HE22      GLN  18  10.201  -1.127  -7.889
  147    H    LEU  19           H        LEU  19  12.073   1.717  -4.450
  148    HA   LEU  19           HA       LEU  19  12.596  -1.069  -3.938
  149    HB2  LEU  19           HB2      LEU  19  10.904   0.973  -2.480
  150    HB3  LEU  19           HB3      LEU  19  11.066  -0.701  -1.978
  151    HG   LEU  19           HG       LEU  19  13.518   1.012  -2.285
  152   HD11  LEU  19          HD11      LEU  19  13.323   1.631   0.069
  153   HD12  LEU  19          HD12      LEU  19  11.995   2.294  -0.883
  154   HD13  LEU  19          HD13      LEU  19  11.728   0.882   0.140
  155   HD21  LEU  19          HD21      LEU  19  13.863  -1.365  -1.952
  156   HD22  LEU  19          HD22      LEU  19  14.337  -0.498  -0.492
  157   HD23  LEU  19          HD23      LEU  19  12.797  -1.359  -0.548
  158    H    LEU  20           H        LEU  20  10.721  -2.487  -3.715
  159    HA   LEU  20           HA       LEU  20   8.804  -1.932  -5.890
  160    HB2  LEU  20           HB2      LEU  20  10.958  -3.454  -6.217
  161    HB3  LEU  20           HB3      LEU  20  10.020  -4.625  -5.332
  162    HG   LEU  20           HG       LEU  20   9.893  -5.072  -7.681
  163   HD11  LEU  20          HD11      LEU  20   7.916  -5.540  -6.329
  164   HD12  LEU  20          HD12      LEU  20   7.280  -3.942  -6.713
  165   HD13  LEU  20          HD13      LEU  20   7.503  -5.134  -7.993
  166   HD21  LEU  20          HD21      LEU  20   8.739  -2.310  -7.993
  167   HD22  LEU  20          HD22      LEU  20  10.374  -2.794  -8.451
  168   HD23  LEU  20          HD23      LEU  20   8.979  -3.503  -9.270
  169    H    VAL  21           H        VAL  21   6.749  -2.249  -5.151
  170    HA   VAL  21           HA       VAL  21   6.444  -3.898  -2.736
  171    HB   VAL  21           HB       VAL  21   4.988  -1.330  -3.419
  172   HG11  VAL  21          HG11      VAL  21   3.496  -2.871  -2.280
  173   HG12  VAL  21          HG12      VAL  21   4.695  -3.121  -1.009
  174   HG13  VAL  21          HG13      VAL  21   3.939  -1.541  -1.209
  175   HG21  VAL  21          HG21      VAL  21   6.109  -0.426  -1.428
  176   HG22  VAL  21          HG22      VAL  21   6.991  -1.943  -1.247
  177   HG23  VAL  21          HG23      VAL  21   7.262  -0.930  -2.664
  178    H    GLY  22           H        GLY  22   6.030  -5.586  -4.109
  179    HA2  GLY  22           HA3      GLY  22   3.577  -5.555  -5.693
  180    HA3  GLY  22           HA2      GLY  22   4.805  -6.829  -5.613
  181    H    ILE  23           H        ILE  23   1.912  -5.534  -3.971
  182    HA   ILE  23           HA       ILE  23   2.380  -7.433  -1.849
  183    HB   ILE  23           HB       ILE  23   0.292  -6.733  -0.898
  184   HG12  ILE  23          HG12      ILE  23  -1.008  -6.815  -3.094
  185   HG13  ILE  23          HG13      ILE  23  -1.429  -5.513  -1.992
  186   HG21  ILE  23          HG21      ILE  23   2.088  -5.115  -0.718
  187   HG22  ILE  23          HG22      ILE  23   1.610  -4.381  -2.248
  188   HG23  ILE  23          HG23      ILE  23   0.535  -4.291  -0.853
  189   HD11  ILE  23          HD11      ILE  23  -0.070  -3.972  -3.331
  190   HD12  ILE  23          HD12      ILE  23   0.285  -5.287  -4.452
  191   HD13  ILE  23          HD13      ILE  23  -1.372  -4.715  -4.261
  192    H    ILE  24           H        ILE  24  -0.450  -8.381  -1.647
  193    HA   ILE  24           HA       ILE  24  -0.663  -9.991  -4.099
  194    HB   ILE  24           HB       ILE  24  -1.689 -10.875  -1.400
  195   HG12  ILE  24          HG12      ILE  24   0.807 -11.763  -2.876
  196   HG13  ILE  24          HG13      ILE  24   0.768 -10.875  -1.357
  197   HG21  ILE  24          HG21      ILE  24  -2.913 -11.753  -3.310
  198   HG22  ILE  24          HG22      ILE  24  -1.408 -12.314  -4.038
  199   HG23  ILE  24          HG23      ILE  24  -1.983 -13.034  -2.535
  200   HD11  ILE  24          HD11      ILE  24  -0.279 -13.664  -1.779
  201   HD12  ILE  24          HD12      ILE  24   1.258 -13.239  -1.024
  202   HD13  ILE  24          HD13      ILE  24  -0.260 -12.776  -0.256
  203    H    GLN  25           H        GLN  25  -2.444  -9.157  -1.262
  204    HA   GLN  25           HA       GLN  25  -4.547  -7.814  -2.627
  205    HB2  GLN  25           HB2      GLN  25  -6.165  -9.541  -1.521
  206    HB3  GLN  25           HB3      GLN  25  -5.497  -9.844  -3.112
  207    HG2  GLN  25           HG2      GLN  25  -5.013 -11.849  -2.287
  208    HG3  GLN  25           HG3      GLN  25  -3.645 -11.035  -1.539
  209   HE21  GLN  25          HE21      GLN  25  -5.295  -9.592   0.368
  210   HE22  GLN  25          HE22      GLN  25  -5.754 -10.767   1.537
  211    H    ALA  26           H        ALA  26  -5.930  -6.844  -1.280
  212    HA   ALA  26           HA       ALA  26  -5.207  -6.852   1.567
  213    HB1  ALA  26           HB1      ALA  26  -5.352  -4.635   0.546
  214    HB2  ALA  26           HB2      ALA  26  -6.977  -4.992  -0.039
  215    HB3  ALA  26           HB3      ALA  26  -6.673  -4.852   1.693
  216    H    ALA  27           H        ALA  27  -6.867  -7.406   3.064
  217    HA   ALA  27           HA       ALA  27  -9.073  -8.833   1.783
  218    HB1  ALA  27           HB1      ALA  27  -7.280 -10.380   2.339
  219    HB2  ALA  27           HB2      ALA  27  -7.408  -9.906   4.034
  220    HB3  ALA  27           HB3      ALA  27  -8.759 -10.716   3.239
  221    H    GLU  28           H        GLU  28 -10.999  -8.322   2.503
  222    HA   GLU  28           HA       GLU  28 -12.736  -8.051   3.928
  223    HB2  GLU  28           HB2      GLU  28 -10.708  -8.947   5.975
  224    HB3  GLU  28           HB3      GLU  28 -12.419  -8.723   6.317
  225    HG2  GLU  28           HG2      GLU  28 -12.980 -10.457   4.705
  226    HG3  GLU  28           HG3      GLU  28 -11.268 -10.667   4.331
  227    H    LEU  29           H        LEU  29 -11.486  -5.741   3.189
  228    HA   LEU  29           HA       LEU  29 -11.118  -4.165   5.619
  229    HB2  LEU  29           HB2      LEU  29 -11.312  -2.819   2.979
  230    HB3  LEU  29           HB3      LEU  29 -10.225  -2.524   4.331
  231    HG   LEU  29           HG       LEU  29  -9.918  -4.853   2.423
  232   HD11  LEU  29          HD11      LEU  29  -8.102  -3.575   1.436
  233   HD12  LEU  29          HD12      LEU  29  -9.651  -2.756   1.234
  234   HD13  LEU  29          HD13      LEU  29  -8.513  -2.200   2.461
  235   HD21  LEU  29          HD21      LEU  29  -8.886  -5.218   4.590
  236   HD22  LEU  29          HD22      LEU  29  -7.654  -4.942   3.358
  237   HD23  LEU  29          HD23      LEU  29  -8.078  -3.654   4.486
  238    HA   PRO  30           HA       PRO  30 -15.282  -2.751   6.129
  239    HB2  PRO  30           HB2      PRO  30 -14.214   0.030   6.059
  240    HB3  PRO  30           HB3      PRO  30 -15.246  -0.754   7.261
  241    HG2  PRO  30           HG2      PRO  30 -12.673  -0.363   7.765
  242    HG3  PRO  30           HG3      PRO  30 -13.467  -1.873   8.251
  243    HD2  PRO  30           HD2      PRO  30 -11.626  -1.349   5.958
  244    HD3  PRO  30           HD3      PRO  30 -11.744  -2.774   7.008
  245    H    ALA  31           H        ALA  31 -16.978  -2.226   4.944
  246    HA   ALA  31           HA       ALA  31 -16.707  -1.491   2.190
  247    HB1  ALA  31           HB1      ALA  31 -19.082  -1.923   2.093
  248    HB2  ALA  31           HB2      ALA  31 -18.271  -3.198   3.002
  249    HB3  ALA  31           HB3      ALA  31 -19.173  -1.944   3.855
  250    H    LEU  32           H        LEU  32 -16.811   0.525   1.328
  251    HA   LEU  32           HA       LEU  32 -18.378   2.603   2.757
  252    HB2  LEU  32           HB2      LEU  32 -15.902   2.689   1.138
  253    HB3  LEU  32           HB3      LEU  32 -17.053   3.996   0.899
  254    HG   LEU  32           HG       LEU  32 -15.140   4.356   2.557
  255   HD11  LEU  32          HD11      LEU  32 -16.678   5.527   4.155
  256   HD12  LEU  32          HD12      LEU  32 -16.921   5.912   2.446
  257   HD13  LEU  32          HD13      LEU  32 -18.023   4.799   3.272
  258   HD21  LEU  32          HD21      LEU  32 -15.457   3.460   4.783
  259   HD22  LEU  32          HD22      LEU  32 -16.932   2.635   4.265
  260   HD23  LEU  32          HD23      LEU  32 -15.372   2.133   3.615
  261    H    ASP  33           H        ASP  33 -19.598   0.670   0.947
  262    HA   ASP  33           HA       ASP  33 -20.200   2.420  -1.303
  263    HB2  ASP  33           HB2      ASP  33 -18.410   1.338  -2.285
  264    HB3  ASP  33           HB3      ASP  33 -18.708  -0.168  -1.431
  265    H    MET  34           H        MET  34 -21.884   1.714  -2.611
  266    HA   MET  34           HA       MET  34 -24.076   0.824  -0.959
  267    HB2  MET  34           HB2      MET  34 -24.304   2.754  -2.473
  268    HB3  MET  34           HB3      MET  34 -24.043   1.701  -3.855
  269    HG2  MET  34           HG2      MET  34 -26.393   2.219  -3.590
  270    HG3  MET  34           HG3      MET  34 -26.096   0.500  -3.348
  271    HE1  MET  34           HE1      MET  34 -29.088   1.238  -0.928
  272    HE2  MET  34           HE2      MET  34 -28.798   1.967  -2.508
  273    HE3  MET  34           HE3      MET  34 -28.508   0.245  -2.264
  274    H    GLY  35           H        GLY  35 -22.854  -1.269  -0.864
  275    HA2  GLY  35           HA3      GLY  35 -24.511  -3.251  -1.986
  276    HA3  GLY  35           HA2      GLY  35 -22.961  -3.244  -2.826
  277    H    GLY  36           H        GLY  36 -23.023  -2.165   0.414
  278    HA2  GLY  36           HA3      GLY  36 -21.806  -2.832   2.234
  279    HA3  GLY  36           HA2      GLY  36 -22.450  -4.440   1.898
  280    H    THR  37           H        THR  37 -20.349  -2.426  -0.050
  281    HA   THR  37           HA       THR  37 -18.108  -4.204   0.424
  282    HB   THR  37           HB       THR  37 -17.660  -3.971  -2.150
  283    HG1  THR  37           HG1      THR  37 -19.496  -2.735  -2.634
  284   HG21  THR  37          HG21      THR  37 -19.662  -5.932  -1.030
  285   HG22  THR  37          HG22      THR  37 -17.906  -6.089  -0.973
  286   HG23  THR  37          HG23      THR  37 -18.746  -6.138  -2.524
  287    H    SER  38           H        SER  38 -16.196  -3.188  -0.891
  288    HA   SER  38           HA       SER  38 -16.294  -0.274  -0.716
  289    HB2  SER  38           HB2      SER  38 -14.995  -1.031   1.152
  290    HB3  SER  38           HB3      SER  38 -14.200  -2.270   0.191
  291    HG   SER  38           HG       SER  38 -13.885   0.504  -0.304
  292    H    ASP  39           H        ASP  39 -14.749   0.754  -2.234
  293    HA   ASP  39           HA       ASP  39 -13.890  -1.008  -4.423
  294    HB2  ASP  39           HB2      ASP  39 -14.453   1.974  -4.363
  295    HB3  ASP  39           HB3      ASP  39 -13.564   1.210  -5.673
  296    HA   PRO  40           HA       PRO  40 -10.348  -0.022  -1.518
  297    HB2  PRO  40           HB2      PRO  40  -9.066  -2.374  -2.401
  298    HB3  PRO  40           HB3      PRO  40  -9.913  -2.131  -0.874
  299    HG2  PRO  40           HG2      PRO  40 -10.854  -3.434  -3.365
  300    HG3  PRO  40           HG3      PRO  40 -11.318  -3.729  -1.685
  301    HD2  PRO  40           HD2      PRO  40 -12.908  -2.453  -3.421
  302    HD3  PRO  40           HD3      PRO  40 -12.873  -2.070  -1.686
  303    H    TYR  41           H        TYR  41  -8.452   0.829  -1.961
  304    HA   TYR  41           HA       TYR  41  -6.883   0.277  -4.223
  305    HB2  TYR  41           HB2      TYR  41  -7.598   1.904  -5.633
  306    HB3  TYR  41           HB3      TYR  41  -8.875   2.300  -4.492
  307    HD1  TYR  41           HD2      TYR  41  -5.175   3.002  -4.682
  308    HD2  TYR  41           HD1      TYR  41  -9.112   4.516  -4.144
  309    HE1  TYR  41           HE2      TYR  41  -4.258   5.260  -4.394
  310    HE2  TYR  41           HE1      TYR  41  -8.206   6.781  -3.879
  311    HH   TYR  41           HH       TYR  41  -5.271   7.696  -4.844
  312    H    VAL  42           H        VAL  42  -4.801   0.583  -3.482
  313    HA   VAL  42           HA       VAL  42  -4.588   1.931  -0.905
  314    HB   VAL  42           HB       VAL  42  -2.139   0.979  -1.117
  315   HG11  VAL  42          HG11      VAL  42  -2.895  -1.053   0.053
  316   HG12  VAL  42          HG12      VAL  42  -3.717   0.392   0.639
  317   HG13  VAL  42          HG13      VAL  42  -4.549  -0.713  -0.453
  318   HG21  VAL  42          HG21      VAL  42  -3.716  -0.925  -2.835
  319   HG22  VAL  42          HG22      VAL  42  -2.401   0.116  -3.381
  320   HG23  VAL  42          HG23      VAL  42  -2.078  -1.184  -2.234
  321    H    LYS  43           H        LYS  43  -4.189   3.979  -0.994
  322    HA   LYS  43           HA       LYS  43  -2.486   5.087  -3.061
  323    HB2  LYS  43           HB2      LYS  43  -2.790   7.235  -1.739
  324    HB3  LYS  43           HB3      LYS  43  -4.222   6.577  -2.508
  325    HG2  LYS  43           HG2      LYS  43  -5.084   5.816  -0.429
  326    HG3  LYS  43           HG3      LYS  43  -3.551   6.146   0.391
  327    HD2  LYS  43           HD2      LYS  43  -5.229   7.884   0.856
  328    HD3  LYS  43           HD3      LYS  43  -3.829   8.534   0.001
  329    HE2  LYS  43           HE2      LYS  43  -5.203   8.148  -2.131
  330    HE3  LYS  43           HE3      LYS  43  -6.584   7.974  -1.051
  331    HZ1  LYS  43           HZ1      LYS  43  -4.855  10.358  -1.400
  332    HZ2  LYS  43           HZ2      LYS  43  -5.984  10.203  -0.140
  333    HZ3  LYS  43           HZ3      LYS  43  -6.506  10.218  -1.753
  334    H    VAL  44           H        VAL  44  -0.419   5.078  -2.898
  335    HA   VAL  44           HA       VAL  44   0.752   4.364  -0.313
  336    HB   VAL  44           HB       VAL  44   2.716   3.678  -1.844
  337   HG11  VAL  44          HG11      VAL  44   0.107   2.179  -2.049
  338   HG12  VAL  44          HG12      VAL  44   1.720   1.504  -2.267
  339   HG13  VAL  44          HG13      VAL  44   1.220   2.097  -0.684
  340   HG21  VAL  44          HG21      VAL  44   2.053   3.093  -4.124
  341   HG22  VAL  44          HG22      VAL  44   0.471   3.826  -3.849
  342   HG23  VAL  44          HG23      VAL  44   1.920   4.829  -3.839
  343    H    PHE  45           H        PHE  45   2.018   5.774   0.697
  344    HA   PHE  45           HA       PHE  45   3.377   7.815  -0.897
  345    HB2  PHE  45           HB2      PHE  45   1.688   8.381   1.553
  346    HB3  PHE  45           HB3      PHE  45   2.685   9.557   0.708
  347    HD1  PHE  45           HD1      PHE  45   2.135   9.796  -1.863
  348    HD2  PHE  45           HD2      PHE  45  -0.559   8.305   1.073
  349    HE1  PHE  45           HE1      PHE  45   0.238  10.360  -3.322
  350    HE2  PHE  45           HE2      PHE  45  -2.460   8.867  -0.381
  351    HZ   PHE  45           HZ       PHE  45  -2.079   9.908  -2.556
  352    H    LEU  46           H        LEU  46   4.762   9.091   0.618
  353    HA   LEU  46           HA       LEU  46   6.059   7.355   2.575
  354    HB2  LEU  46           HB2      LEU  46   7.334   9.262   0.637
  355    HB3  LEU  46           HB3      LEU  46   8.159   8.639   2.058
  356    HG   LEU  46           HG       LEU  46   7.388   7.243  -0.445
  357   HD11  LEU  46          HD11      LEU  46   9.648   8.103  -0.089
  358   HD12  LEU  46          HD12      LEU  46   9.788   7.111   1.363
  359   HD13  LEU  46          HD13      LEU  46   9.623   6.343  -0.217
  360   HD21  LEU  46          HD21      LEU  46   7.644   5.074   0.608
  361   HD22  LEU  46          HD22      LEU  46   7.807   5.840   2.188
  362   HD23  LEU  46          HD23      LEU  46   6.280   5.943   1.312
  363    H    LEU  47           H        LEU  47   7.028   8.345   4.407
  364    HA   LEU  47           HA       LEU  47   5.866  10.861   5.215
  365    HB2  LEU  47           HB2      LEU  47   6.170   9.447   7.032
  366    HB3  LEU  47           HB3      LEU  47   7.691   8.824   6.419
  367    HG   LEU  47           HG       LEU  47   8.140  11.536   6.909
  368   HD11  LEU  47          HD11      LEU  47   6.113  11.615   8.258
  369   HD12  LEU  47          HD12      LEU  47   6.676  10.243   9.212
  370   HD13  LEU  47          HD13      LEU  47   7.545  11.776   9.277
  371   HD21  LEU  47          HD21      LEU  47   9.621  10.662   8.688
  372   HD22  LEU  47          HD22      LEU  47   8.896   9.070   8.461
  373   HD23  LEU  47          HD23      LEU  47   9.798   9.824   7.145
  374    HA   PRO  48           HA       PRO  48   7.691  14.357   3.920
  375    HB2  PRO  48           HB2      PRO  48   9.815  13.840   5.965
  376    HB3  PRO  48           HB3      PRO  48   9.152  15.392   5.425
  377    HG2  PRO  48           HG2      PRO  48   8.112  13.874   7.524
  378    HG3  PRO  48           HG3      PRO  48   7.225  15.126   6.636
  379    HD2  PRO  48           HD2      PRO  48   6.575  12.390   6.689
  380    HD3  PRO  48           HD3      PRO  48   5.987  13.565   5.489
  381    H    ASP  49           H        ASP  49   9.344  11.543   3.153
  382    HA   ASP  49           HA       ASP  49  10.960  13.049   1.263
  383    HB2  ASP  49           HB2      ASP  49  11.876  10.915   1.707
  384    HB3  ASP  49           HB3      ASP  49  10.302  10.130   1.653
  385    H    LYS  50           H        LYS  50   8.521  10.567   0.776
  386    HA   LYS  50           HA       LYS  50   6.615  10.411  -0.326
  387    HB2  LYS  50           HB2      LYS  50   6.475  12.833   1.032
  388    HB3  LYS  50           HB3      LYS  50   5.998  13.240  -0.616
  389    HG2  LYS  50           HG2      LYS  50   4.726  11.270   1.263
  390    HG3  LYS  50           HG3      LYS  50   3.998  12.673   0.463
  391    HD2  LYS  50           HD2      LYS  50   5.144  10.378  -1.072
  392    HD3  LYS  50           HD3      LYS  50   3.479  10.332  -0.458
  393    HE2  LYS  50           HE2      LYS  50   4.644  12.384  -2.343
  394    HE3  LYS  50           HE3      LYS  50   3.514  11.102  -2.770
  395    HZ1  LYS  50           HZ1      LYS  50   1.910  12.142  -1.212
  396    HZ2  LYS  50           HZ2      LYS  50   2.314  13.132  -2.527
  397    HZ3  LYS  50           HZ3      LYS  50   2.986  13.433  -1.003
  398    H    LYS  51           H        LYS  51   8.800  10.179  -1.801
  399    HA   LYS  51           HA       LYS  51   8.467  11.941  -4.132
  400    HB2  LYS  51           HB2      LYS  51  10.321   9.798  -3.243
  401    HB3  LYS  51           HB3      LYS  51  10.243  10.154  -4.974
  402    HG2  LYS  51           HG2      LYS  51  10.728  12.565  -4.334
  403    HG3  LYS  51           HG3      LYS  51  11.080  11.952  -2.716
  404    HD2  LYS  51           HD2      LYS  51  12.728  10.372  -3.792
  405    HD3  LYS  51           HD3      LYS  51  12.487  11.262  -5.294
  406    HE2  LYS  51           HE2      LYS  51  14.388  12.246  -4.376
  407    HE3  LYS  51           HE3      LYS  51  13.089  13.345  -3.910
  408    HZ1  LYS  51           HZ1      LYS  51  14.265  13.071  -1.959
  409    HZ2  LYS  51           HZ2      LYS  51  14.594  11.435  -2.249
  410    HZ3  LYS  51           HZ3      LYS  51  13.034  11.910  -1.777
  411    H    LYS  52           H        LYS  52   6.285  10.108  -3.278
  412    HA   LYS  52           HA       LYS  52   5.927   8.718  -5.789
  413    HB2  LYS  52           HB2      LYS  52   5.255   6.615  -4.439
  414    HB3  LYS  52           HB3      LYS  52   6.956   6.930  -4.779
  415    HG2  LYS  52           HG2      LYS  52   6.754   8.181  -2.426
  416    HG3  LYS  52           HG3      LYS  52   5.482   6.976  -2.218
  417    HD2  LYS  52           HD2      LYS  52   7.602   6.148  -1.373
  418    HD3  LYS  52           HD3      LYS  52   7.074   5.204  -2.768
  419    HE2  LYS  52           HE2      LYS  52   9.488   5.756  -2.790
  420    HE3  LYS  52           HE3      LYS  52   8.619   6.353  -4.202
  421    HZ1  LYS  52           HZ1      LYS  52  10.148   8.005  -3.364
  422    HZ2  LYS  52           HZ2      LYS  52   9.434   7.954  -1.830
  423    HZ3  LYS  52           HZ3      LYS  52   8.557   8.542  -3.152
  424    H    LYS  53           H        LYS  53   4.032  10.243  -6.036
  425    HA   LYS  53           HA       LYS  53   1.805   9.260  -4.472
  426    HB2  LYS  53           HB2      LYS  53   1.669  11.570  -5.262
  427    HB3  LYS  53           HB3      LYS  53   1.890  11.031  -6.927
  428    HG2  LYS  53           HG2      LYS  53  -0.164   9.590  -6.490
  429    HG3  LYS  53           HG3      LYS  53  -0.468  10.666  -5.130
  430    HD2  LYS  53           HD2      LYS  53  -1.717  11.475  -7.012
  431    HD3  LYS  53           HD3      LYS  53  -0.370  12.582  -6.740
  432    HE2  LYS  53           HE2      LYS  53   0.854  11.666  -8.561
  433    HE3  LYS  53           HE3      LYS  53  -0.269  10.318  -8.722
  434    HZ1  LYS  53           HZ1      LYS  53  -0.612  12.025 -10.417
  435    HZ2  LYS  53           HZ2      LYS  53  -0.943  13.171  -9.213
  436    HZ3  LYS  53           HZ3      LYS  53  -1.982  11.845  -9.429
  437    H    PHE  54           H        PHE  54   1.713   7.037  -4.887
  438    HA   PHE  54           HA       PHE  54   1.209   6.390  -7.705
  439    HB2  PHE  54           HB2      PHE  54   3.110   5.139  -6.741
  440    HB3  PHE  54           HB3      PHE  54   2.033   4.474  -5.519
  441    HD1  PHE  54           HD1      PHE  54   2.630   4.608  -9.174
  442    HD2  PHE  54           HD2      PHE  54   0.792   2.539  -5.942
  443    HE1  PHE  54           HE1      PHE  54   2.064   2.755 -10.688
  444    HE2  PHE  54           HE2      PHE  54   0.221   0.681  -7.450
  445    HZ   PHE  54           HZ       PHE  54   0.859   0.788  -9.825
  446    H    GLU  55           H        GLU  55  -0.533   4.842  -8.129
  447    HA   GLU  55           HA       GLU  55  -2.598   4.813  -6.074
  448    HB2  GLU  55           HB2      GLU  55  -2.797   6.959  -7.322
  449    HB3  GLU  55           HB3      GLU  55  -3.015   6.043  -8.806
  450    HG2  GLU  55           HG2      GLU  55  -5.121   5.304  -8.192
  451    HG3  GLU  55           HG3      GLU  55  -4.838   5.619  -6.480
  452    H    THR  56           H        THR  56  -3.288   2.791  -5.996
  453    HA   THR  56           HA       THR  56  -3.000   0.868  -8.042
  454    HB   THR  56           HB       THR  56  -4.836  -0.285  -6.515
  455    HG1  THR  56           HG1      THR  56  -5.280   1.834  -5.561
  456   HG21  THR  56          HG21      THR  56  -2.103   0.447  -5.449
  457   HG22  THR  56          HG22      THR  56  -2.439  -0.882  -6.558
  458   HG23  THR  56          HG23      THR  56  -3.095  -0.911  -4.921
  459    H    LYS  57           H        LYS  57  -4.551  -0.147  -9.313
  460    HA   LYS  57           HA       LYS  57  -6.673   1.369 -10.392
  461    HB2  LYS  57           HB2      LYS  57  -5.676  -0.467 -11.630
  462    HB3  LYS  57           HB3      LYS  57  -6.147  -1.615 -10.388
  463    HG2  LYS  57           HG2      LYS  57  -8.500  -1.231 -10.922
  464    HG3  LYS  57           HG3      LYS  57  -8.024  -0.077 -12.170
  465    HD2  LYS  57           HD2      LYS  57  -6.943  -1.793 -13.439
  466    HD3  LYS  57           HD3      LYS  57  -7.150  -2.961 -12.131
  467    HE2  LYS  57           HE2      LYS  57  -9.364  -1.668 -13.723
  468    HE3  LYS  57           HE3      LYS  57  -8.780  -3.320 -13.919
  469    HZ1  LYS  57           HZ1      LYS  57  -9.442  -3.754 -11.607
  470    HZ2  LYS  57           HZ2      LYS  57 -10.758  -3.318 -12.583
  471    HZ3  LYS  57           HZ3      LYS  57 -10.095  -2.191 -11.510
  472    H    VAL  58           H        VAL  58  -8.917   1.220 -10.030
  473    HA   VAL  58           HA       VAL  58  -9.531   0.832  -7.250
  474    HB   VAL  58           HB       VAL  58 -10.481   2.744  -8.414
  475   HG11  VAL  58          HG11      VAL  58 -12.249   2.467 -10.102
  476   HG12  VAL  58          HG12      VAL  58 -10.691   1.846 -10.650
  477   HG13  VAL  58          HG13      VAL  58 -11.943   0.729 -10.111
  478   HG21  VAL  58          HG21      VAL  58 -12.578   0.748  -7.584
  479   HG22  VAL  58          HG22      VAL  58 -11.727   1.880  -6.533
  480   HG23  VAL  58          HG23      VAL  58 -12.839   2.483  -7.762
  481    H    HIS  59           H        HIS  59 -10.544  -0.797  -6.301
  482    HA   HIS  59           HA       HIS  59 -11.107  -3.163  -7.962
  483    HB2  HIS  59           HB2      HIS  59 -10.673  -2.958  -4.968
  484    HB3  HIS  59           HB3      HIS  59 -10.808  -4.448  -5.905
  485    HD1  HIS  59           HD1      HIS  59  -8.436  -1.718  -5.041
  486    HD2  HIS  59           HD2      HIS  59  -8.523  -5.112  -7.430
  487    HE1  HIS  59           HE1      HIS  59  -6.043  -2.157  -5.669
  488    HE2  HIS  59           HE2      HIS  59  -6.173  -4.031  -7.335
  489    H    ARG  60           H        ARG  60 -13.194  -2.600  -8.578
  490    HA   ARG  60           HA       ARG  60 -14.969  -1.406  -6.733
  491    HB2  ARG  60           HB2      ARG  60 -16.669  -2.006  -8.674
  492    HB3  ARG  60           HB3      ARG  60 -15.537  -0.671  -8.787
  493    HG2  ARG  60           HG2      ARG  60 -15.447  -1.773 -10.851
  494    HG3  ARG  60           HG3      ARG  60 -13.989  -2.242  -9.986
  495    HD2  ARG  60           HD2      ARG  60 -15.011  -4.145 -11.136
  496    HD3  ARG  60           HD3      ARG  60 -15.000  -4.368  -9.385
  497    HE   ARG  60           HE       ARG  60 -17.441  -3.198 -10.236
  498   HH11  ARG  60          HH12      ARG  60 -15.726  -6.259 -10.199
  499   HH12  ARG  60          HH11      ARG  60 -17.187  -7.207 -10.157
  500   HH21  ARG  60          HH22      ARG  60 -19.330  -4.425 -10.178
  501   HH22  ARG  60          HH21      ARG  60 -19.240  -6.165 -10.172
  502    H    LYS  61           H        LYS  61 -16.033  -2.270  -5.246
  503    HA   LYS  61           HA       LYS  61 -17.788  -3.315  -4.298
  504    HB2  LYS  61           HB2      LYS  61 -18.086  -4.973  -6.799
  505    HB3  LYS  61           HB3      LYS  61 -19.310  -4.599  -5.588
  506    HG2  LYS  61           HG2      LYS  61 -18.029  -2.487  -7.297
  507    HG3  LYS  61           HG3      LYS  61 -19.478  -3.364  -7.785
  508    HD2  LYS  61           HD2      LYS  61 -20.767  -2.429  -6.100
  509    HD3  LYS  61           HD3      LYS  61 -19.359  -2.001  -5.125
  510    HE2  LYS  61           HE2      LYS  61 -19.605  -0.749  -7.804
  511    HE3  LYS  61           HE3      LYS  61 -20.713  -0.201  -6.545
  512    HZ1  LYS  61           HZ1      LYS  61 -18.960   0.536  -5.220
  513    HZ2  LYS  61           HZ2      LYS  61 -18.500   1.013  -6.775
  514    HZ3  LYS  61           HZ3      LYS  61 -17.787  -0.346  -6.066
  515    H    THR  62           H        THR  62 -15.370  -4.129  -3.504
  516    HA   THR  62           HA       THR  62 -15.888  -6.887  -2.872
  517    HB   THR  62           HB       THR  62 -13.938  -7.843  -3.639
  518    HG1  THR  62           HG1      THR  62 -12.889  -5.331  -3.239
  519   HG21  THR  62          HG21      THR  62 -13.431  -7.212  -5.945
  520   HG22  THR  62          HG22      THR  62 -14.342  -5.719  -5.723
  521   HG23  THR  62          HG23      THR  62 -15.168  -7.275  -5.651
  522    H    LEU  63           H        LEU  63 -15.529  -6.990  -0.732
  523    HA   LEU  63           HA       LEU  63 -13.833  -4.961   0.467
  524    HB2  LEU  63           HB2      LEU  63 -15.389  -7.210   1.707
  525    HB3  LEU  63           HB3      LEU  63 -14.379  -6.096   2.575
  526    HG   LEU  63           HG       LEU  63 -16.846  -5.399   1.009
  527   HD11  LEU  63          HD11      LEU  63 -16.295  -5.384   3.976
  528   HD12  LEU  63          HD12      LEU  63 -17.772  -4.814   3.197
  529   HD13  LEU  63          HD13      LEU  63 -17.333  -6.521   3.118
  530   HD21  LEU  63          HD21      LEU  63 -16.500  -3.147   1.897
  531   HD22  LEU  63          HD22      LEU  63 -14.971  -3.667   2.606
  532   HD23  LEU  63          HD23      LEU  63 -15.171  -3.656   0.855
  533    H    ASN  64           H        ASN  64 -13.232  -7.766  -1.079
  534    HA   ASN  64           HA       ASN  64 -10.742  -8.138   0.383
  535    HB2  ASN  64           HB2      ASN  64 -12.651  -9.867   0.980
  536    HB3  ASN  64           HB3      ASN  64 -12.164 -10.599  -0.544
  537   HD21  ASN  64          HD21      ASN  64  -9.366 -10.066  -0.406
  538   HD22  ASN  64          HD22      ASN  64  -8.732 -11.032   0.869
  539    HA   PRO  65           HA       PRO  65 -10.268  -7.929  -4.177
  540    HB2  PRO  65           HB2      PRO  65  -8.626  -5.826  -4.227
  541    HB3  PRO  65           HB3      PRO  65 -10.364  -5.602  -3.973
  542    HG2  PRO  65           HG2      PRO  65  -8.154  -5.619  -1.933
  543    HG3  PRO  65           HG3      PRO  65  -9.523  -4.530  -2.084
  544    HD2  PRO  65           HD2      PRO  65  -9.443  -6.643  -0.379
  545    HD3  PRO  65           HD3      PRO  65 -10.939  -5.943  -1.031
  546    H    VAL  66           H        VAL  66  -8.598  -8.906  -5.314
  547    HA   VAL  66           HA       VAL  66  -5.954  -8.740  -4.057
  548    HB   VAL  66           HB       VAL  66  -5.427 -10.908  -4.221
  549   HG11  VAL  66          HG11      VAL  66  -7.300 -12.467  -3.933
  550   HG12  VAL  66          HG12      VAL  66  -7.501 -10.996  -2.982
  551   HG13  VAL  66          HG13      VAL  66  -8.420 -11.216  -4.471
  552   HG21  VAL  66          HG21      VAL  66  -5.365 -10.995  -6.653
  553   HG22  VAL  66          HG22      VAL  66  -6.068 -12.473  -5.997
  554   HG23  VAL  66          HG23      VAL  66  -7.108 -11.242  -6.712
  555    H    PHE  67           H        PHE  67  -4.904  -7.310  -5.192
  556    HA   PHE  67           HA       PHE  67  -5.320  -7.333  -8.067
  557    HB2  PHE  67           HB2      PHE  67  -5.357  -5.138  -6.775
  558    HB3  PHE  67           HB3      PHE  67  -3.599  -5.294  -6.714
  559    HD1  PHE  67           HD1      PHE  67  -2.285  -5.313  -8.801
  560    HD2  PHE  67           HD2      PHE  67  -6.464  -4.533  -8.803
  561    HE1  PHE  67           HE1      PHE  67  -2.098  -4.347 -11.051
  562    HE2  PHE  67           HE2      PHE  67  -6.286  -3.572 -11.056
  563    HZ   PHE  67           HZ       PHE  67  -4.140  -3.560 -12.223
  564    H    ASN  68           H        ASN  68  -2.709  -7.868  -5.745
  565    HA   ASN  68           HA       ASN  68  -0.454  -7.846  -5.979
  566    HB2  ASN  68           HB2      ASN  68  -0.873  -9.997  -7.162
  567    HB3  ASN  68           HB3      ASN  68  -1.003  -9.101  -8.678
  568   HD21  ASN  68          HD21      ASN  68   0.730 -10.145  -9.616
  569   HD22  ASN  68          HD22      ASN  68   2.367  -9.822  -9.141
  570    H    GLU  69           H        GLU  69  -0.527  -5.585  -6.022
  571    HA   GLU  69           HA       GLU  69  -0.198  -4.354  -8.675
  572    HB2  GLU  69           HB2      GLU  69  -2.279  -3.598  -7.519
  573    HB3  GLU  69           HB3      GLU  69  -1.297  -3.005  -6.182
  574    HG2  GLU  69           HG2      GLU  69  -1.229  -1.063  -7.240
  575    HG3  GLU  69           HG3      GLU  69  -0.142  -1.832  -8.394
  576    H    GLN  70           H        GLN  70   1.659  -3.583  -9.031
  577    HA   GLN  70           HA       GLN  70   3.746  -3.660  -7.089
  578    HB2  GLN  70           HB2      GLN  70   3.704  -4.180  -9.617
  579    HB3  GLN  70           HB3      GLN  70   3.877  -2.467  -9.845
  580    HG2  GLN  70           HG2      GLN  70   5.811  -4.114  -8.261
  581    HG3  GLN  70           HG3      GLN  70   5.957  -3.861  -9.998
  582   HE21  GLN  70          HE21      GLN  70   6.160  -2.436  -6.886
  583   HE22  GLN  70          HE22      GLN  70   6.962  -0.988  -7.360
  584    H    PHE  71           H        PHE  71   3.810  -2.037  -5.610
  585    HA   PHE  71           HA       PHE  71   3.463   0.698  -6.547
  586    HB2  PHE  71           HB2      PHE  71   2.484   0.429  -4.440
  587    HB3  PHE  71           HB3      PHE  71   3.790  -0.589  -3.850
  588    HD1  PHE  71           HD1      PHE  71   4.073   2.706  -5.502
  589    HD2  PHE  71           HD2      PHE  71   4.405   0.526  -1.864
  590    HE1  PHE  71           HE1      PHE  71   5.071   4.672  -4.422
  591    HE2  PHE  71           HE2      PHE  71   5.405   2.493  -0.778
  592    HZ   PHE  71           HZ       PHE  71   5.758   4.510  -1.975
  593    H    THR  72           H        THR  72   5.127   0.943  -7.874
  594    HA   THR  72           HA       THR  72   7.842   0.713  -7.333
  595    HB   THR  72           HB       THR  72   6.714   3.063  -8.837
  596    HG1  THR  72           HG1      THR  72   6.641   0.299  -9.556
  597   HG21  THR  72          HG21      THR  72   9.072   1.227  -9.287
  598   HG22  THR  72          HG22      THR  72   9.138   2.875  -8.661
  599   HG23  THR  72          HG23      THR  72   8.624   2.583 -10.324
  600    H    PHE  73           H        PHE  73   8.921   1.472  -5.776
  601    HA   PHE  73           HA       PHE  73   8.012   3.843  -4.339
  602    HB2  PHE  73           HB2      PHE  73   7.960   1.658  -3.151
  603    HB3  PHE  73           HB3      PHE  73   9.666   1.437  -3.482
  604    HD1  PHE  73           HD1      PHE  73  10.873   3.961  -2.685
  605    HD2  PHE  73           HD2      PHE  73   7.665   1.793  -0.929
  606    HE1  PHE  73           HE1      PHE  73  11.446   4.900  -0.491
  607    HE2  PHE  73           HE2      PHE  73   8.223   2.742   1.265
  608    HZ   PHE  73           HZ       PHE  73  10.119   4.294   1.486
  609    H    LYS  74           H        LYS  74   9.161   5.315  -5.640
  610    HA   LYS  74           HA       LYS  74  11.898   4.791  -6.290
  611    HB2  LYS  74           HB2      LYS  74  11.781   7.132  -7.326
  612    HB3  LYS  74           HB3      LYS  74  10.851   5.843  -8.064
  613    HG2  LYS  74           HG2      LYS  74   9.616   7.733  -6.096
  614    HG3  LYS  74           HG3      LYS  74   9.765   8.138  -7.807
  615    HD2  LYS  74           HD2      LYS  74   8.267   5.812  -6.600
  616    HD3  LYS  74           HD3      LYS  74   7.581   7.220  -7.414
  617    HE2  LYS  74           HE2      LYS  74   9.323   5.102  -8.677
  618    HE3  LYS  74           HE3      LYS  74   7.576   5.261  -8.872
  619    HZ1  LYS  74           HZ1      LYS  74   9.668   7.143  -9.831
  620    HZ2  LYS  74           HZ2      LYS  74   8.017   7.513  -9.825
  621    HZ3  LYS  74           HZ3      LYS  74   8.592   6.226 -10.770
  622    H    VAL  75           H        VAL  75  12.480   4.620  -4.087
  623    HA   VAL  75           HA       VAL  75  14.023   7.014  -3.528
  624    HB   VAL  75           HB       VAL  75  12.825   5.383  -1.239
  625   HG11  VAL  75          HG11      VAL  75  14.630   7.793  -1.251
  626   HG12  VAL  75          HG12      VAL  75  13.907   7.052   0.177
  627   HG13  VAL  75          HG13      VAL  75  15.075   6.151  -0.788
  628   HG21  VAL  75          HG21      VAL  75  12.276   8.223  -2.080
  629   HG22  VAL  75          HG22      VAL  75  11.155   6.868  -2.206
  630   HG23  VAL  75          HG23      VAL  75  11.669   7.441  -0.620
  631    HA   PRO  76           HA       PRO  76  16.881   3.612  -4.240
  632    HB2  PRO  76           HB2      PRO  76  18.657   5.623  -2.882
  633    HB3  PRO  76           HB3      PRO  76  18.974   4.635  -4.324
  634    HG2  PRO  76           HG2      PRO  76  18.306   7.107  -4.758
  635    HG3  PRO  76           HG3      PRO  76  17.388   5.829  -5.623
  636    HD2  PRO  76           HD2      PRO  76  16.610   7.309  -3.103
  637    HD3  PRO  76           HD3      PRO  76  15.671   7.094  -4.604
  638    H    TYR  77           H        TYR  77  17.980   2.049  -2.930
  639    HA   TYR  77           HA       TYR  77  16.603   1.683  -0.516
  640    HB2  TYR  77           HB2      TYR  77  18.076  -0.299  -0.201
  641    HB3  TYR  77           HB3      TYR  77  17.269  -0.226  -1.764
  642    HD1  TYR  77           HD2      TYR  77  18.786   1.043  -3.620
  643    HD2  TYR  77           HD1      TYR  77  20.281  -1.017  -0.209
  644    HE1  TYR  77           HE2      TYR  77  20.959   0.779  -4.733
  645    HE2  TYR  77           HE1      TYR  77  22.460  -1.271  -1.315
  646    HH   TYR  77           HH       TYR  77  23.412   0.503  -3.893
  647    H    SER  78           H        SER  78  19.944   2.726  -1.101
  648    HA   SER  78           HA       SER  78  20.695   3.094   1.573
  649    HB2  SER  78           HB2      SER  78  21.529   4.779  -0.793
  650    HB3  SER  78           HB3      SER  78  22.423   4.544   0.711
  651    HG   SER  78           HG       SER  78  22.585   2.311   0.166
  652    H    GLU  79           H        GLU  79  18.639   4.969  -0.515
  653    HA   GLU  79           HA       GLU  79  18.633   7.309   1.191
  654    HB2  GLU  79           HB2      GLU  79  17.624   6.627  -1.526
  655    HB3  GLU  79           HB3      GLU  79  16.702   7.827  -0.619
  656    HG2  GLU  79           HG2      GLU  79  19.657   7.998  -1.147
  657    HG3  GLU  79           HG3      GLU  79  18.418   8.775  -2.132
  658    H    LEU  80           H        LEU  80  16.947   4.403   0.775
  659    HA   LEU  80           HA       LEU  80  14.347   5.011   1.644
  660    HB2  LEU  80           HB2      LEU  80  14.271   2.883   0.918
  661    HB3  LEU  80           HB3      LEU  80  15.984   2.651   1.174
  662    HG   LEU  80           HG       LEU  80  14.100   2.501   3.516
  663   HD11  LEU  80          HD11      LEU  80  14.700   0.294   1.551
  664   HD12  LEU  80          HD12      LEU  80  13.945   0.072   3.130
  665   HD13  LEU  80          HD13      LEU  80  13.124   1.014   1.884
  666   HD21  LEU  80          HD21      LEU  80  15.788   0.948   4.355
  667   HD22  LEU  80          HD22      LEU  80  16.710   1.136   2.863
  668   HD23  LEU  80          HD23      LEU  80  16.504   2.510   3.951
  669    H    GLY  81           H        GLY  81  17.338   4.477   3.328
  670    HA2  GLY  81           HA3      GLY  81  16.535   3.736   5.818
  671    HA3  GLY  81           HA2      GLY  81  17.882   4.821   5.514
  672    H    GLY  82           H        GLY  82  16.793   7.176   4.789
  673    HA2  GLY  82           HA3      GLY  82  15.837   8.169   7.268
  674    HA3  GLY  82           HA2      GLY  82  15.922   9.074   5.768
  675    H    LYS  83           H        LYS  83  14.115   6.682   4.759
  676    HA   LYS  83           HA       LYS  83  11.791   8.433   4.920
  677    HB2  LYS  83           HB2      LYS  83  12.589   6.136   3.150
  678    HB3  LYS  83           HB3      LYS  83  10.961   6.789   3.128
  679    HG2  LYS  83           HG2      LYS  83  12.570   7.603   1.369
  680    HG3  LYS  83           HG3      LYS  83  11.667   8.835   2.240
  681    HD2  LYS  83           HD2      LYS  83  13.616   9.318   3.596
  682    HD3  LYS  83           HD3      LYS  83  14.504   7.995   2.837
  683    HE2  LYS  83           HE2      LYS  83  14.264   9.155   0.659
  684    HE3  LYS  83           HE3      LYS  83  13.507  10.507   1.500
  685    HZ1  LYS  83           HZ1      LYS  83  15.863  10.888   1.108
  686    HZ2  LYS  83           HZ2      LYS  83  16.256   9.502   1.992
  687    HZ3  LYS  83           HZ3      LYS  83  15.532  10.822   2.766
  688    H    THR  84           H        THR  84   9.704   7.766   5.626
  689    HA   THR  84           HA       THR  84   9.614   4.923   6.467
  690    HB   THR  84           HB       THR  84   8.257   5.300   8.324
  691    HG1  THR  84           HG1      THR  84   7.116   7.069   6.936
  692   HG21  THR  84          HG21      THR  84  10.533   6.035   8.797
  693   HG22  THR  84          HG22      THR  84   9.365   6.996   9.707
  694   HG23  THR  84          HG23      THR  84  10.128   7.667   8.265
  695    H    LEU  85           H        LEU  85   8.121   3.768   5.408
  696    HA   LEU  85           HA       LEU  85   6.499   5.265   3.525
  697    HB2  LEU  85           HB2      LEU  85   6.805   3.550   2.169
  698    HB3  LEU  85           HB3      LEU  85   7.818   2.818   3.398
  699    HG   LEU  85           HG       LEU  85   5.026   2.321   3.928
  700   HD11  LEU  85          HD11      LEU  85   4.581   0.850   2.039
  701   HD12  LEU  85          HD12      LEU  85   4.807   2.512   1.496
  702   HD13  LEU  85          HD13      LEU  85   6.103   1.332   1.289
  703   HD21  LEU  85          HD21      LEU  85   7.326   0.482   3.304
  704   HD22  LEU  85          HD22      LEU  85   6.941   1.129   4.900
  705   HD23  LEU  85          HD23      LEU  85   5.810   0.041   4.090
  706    H    VAL  86           H        VAL  86   4.406   5.554   3.589
  707    HA   VAL  86           HA       VAL  86   2.810   3.848   5.354
  708    HB   VAL  86           HB       VAL  86   1.223   5.668   5.743
  709   HG11  VAL  86          HG11      VAL  86   4.047   6.400   6.516
  710   HG12  VAL  86          HG12      VAL  86   2.580   7.005   7.286
  711   HG13  VAL  86          HG13      VAL  86   2.983   5.289   7.379
  712   HG21  VAL  86          HG21      VAL  86   1.835   8.001   5.201
  713   HG22  VAL  86          HG22      VAL  86   3.225   7.409   4.290
  714   HG23  VAL  86          HG23      VAL  86   1.590   7.018   3.757
  715    H    MET  87           H        MET  87   1.191   2.879   4.397
  716    HA   MET  87           HA       MET  87   0.417   3.792   1.716
  717    HB2  MET  87           HB2      MET  87   1.603   1.715   1.439
  718    HB3  MET  87           HB3      MET  87   0.753   0.969   2.792
  719    HG2  MET  87           HG2      MET  87  -1.232   0.750   1.567
  720    HG3  MET  87           HG3      MET  87  -0.699   1.881   0.329
  721    HE1  MET  87           HE1      MET  87   1.029  -2.375   0.793
  722    HE2  MET  87           HE2      MET  87   1.361  -1.070   1.931
  723    HE3  MET  87           HE3      MET  87  -0.265  -1.745   1.811
  724    H    ALA  88           H        ALA  88  -1.896   3.595   1.251
  725    HA   ALA  88           HA       ALA  88  -3.540   3.210   3.659
  726    HB1  ALA  88           HB1      ALA  88  -4.757   5.363   3.121
  727    HB2  ALA  88           HB2      ALA  88  -3.119   5.551   3.778
  728    HB3  ALA  88           HB3      ALA  88  -3.401   5.752   2.048
  729    H    VAL  89           H        VAL  89  -4.986   1.717   2.984
  730    HA   VAL  89           HA       VAL  89  -5.871   1.757   0.263
  731    HB   VAL  89           HB       VAL  89  -5.784  -0.379   1.373
  732   HG11  VAL  89          HG11      VAL  89  -7.378  -0.988   3.133
  733   HG12  VAL  89          HG12      VAL  89  -6.227   0.249   3.644
  734   HG13  VAL  89          HG13      VAL  89  -7.879   0.702   3.226
  735   HG21  VAL  89          HG21      VAL  89  -7.387  -0.060  -0.428
  736   HG22  VAL  89          HG22      VAL  89  -7.983  -1.220   0.761
  737   HG23  VAL  89          HG23      VAL  89  -8.610   0.428   0.746
  738    H    TYR  90           H        TYR  90  -7.269   3.003  -0.518
  739    HA   TYR  90           HA       TYR  90  -8.978   4.616   1.217
  740    HB2  TYR  90           HB2      TYR  90  -7.061   5.809   0.138
  741    HB3  TYR  90           HB3      TYR  90  -7.663   5.307  -1.431
  742    HD1  TYR  90           HD1      TYR  90  -8.247   7.544   1.437
  743    HD2  TYR  90           HD2      TYR  90  -9.505   6.425  -2.463
  744    HE1  TYR  90           HE1      TYR  90  -9.657   9.556   1.321
  745    HE2  TYR  90           HE2      TYR  90 -10.909   8.433  -2.597
  746    HH   TYR  90           HH       TYR  90 -12.026   9.990  -1.093
  747    H    ASP  91           H        ASP  91 -11.036   4.564   0.724
  748    HA   ASP  91           HA       ASP  91 -11.890   2.816  -1.439
  749    HB2  ASP  91           HB2      ASP  91 -12.799   2.347   0.702
  750    HB3  ASP  91           HB3      ASP  91 -13.351   4.013   0.898
  751    H    PHE  92           H        PHE  92 -12.634   3.614  -3.314
  752    HA   PHE  92           HA       PHE  92 -13.463   6.398  -3.447
  753    HB2  PHE  92           HB2      PHE  92 -12.204   5.368  -5.327
  754    HB3  PHE  92           HB3      PHE  92 -13.535   4.246  -5.581
  755    HD1  PHE  92           HD2      PHE  92 -13.360   7.934  -5.020
  756    HD2  PHE  92           HD1      PHE  92 -14.638   4.744  -7.526
  757    HE1  PHE  92           HE2      PHE  92 -14.434   9.556  -6.527
  758    HE2  PHE  92           HE1      PHE  92 -15.717   6.357  -9.039
  759    HZ   PHE  92           HZ       PHE  92 -15.588   8.768  -8.559
  760    H    ASP  93           H        ASP  93 -15.400   6.681  -2.340
  761    HA   ASP  93           HA       ASP  93 -17.378   4.560  -2.581
  762    HB2  ASP  93           HB2      ASP  93 -18.588   5.662  -0.761
  763    HB3  ASP  93           HB3      ASP  93 -16.911   5.370  -0.328
  764    H    ARG  94           H        ARG  94 -16.620   7.141  -4.315
  765    HA   ARG  94           HA       ARG  94 -17.528   7.897  -6.239
  766    HB2  ARG  94           HB2      ARG  94 -19.738   5.900  -5.805
  767    HB3  ARG  94           HB3      ARG  94 -19.123   6.522  -7.333
  768    HG2  ARG  94           HG2      ARG  94 -17.055   5.352  -7.053
  769    HG3  ARG  94           HG3      ARG  94 -17.492   4.876  -5.414
  770    HD2  ARG  94           HD2      ARG  94 -17.863   2.971  -6.724
  771    HD3  ARG  94           HD3      ARG  94 -19.462   3.663  -6.458
  772    HE   ARG  94           HE       ARG  94 -19.457   4.446  -8.712
  773   HH11  ARG  94          HH12      ARG  94 -16.748   2.357  -7.874
  774   HH12  ARG  94          HH11      ARG  94 -16.442   1.899  -9.530
  775   HH21  ARG  94          HH22      ARG  94 -19.033   3.853 -10.871
  776   HH22  ARG  94          HH21      ARG  94 -17.728   2.769 -11.239
  777    H    PHE  95           H        PHE  95 -19.057   8.489  -3.362
  778    HA   PHE  95           HA       PHE  95 -20.908  10.348  -4.658
  779    HB2  PHE  95           HB2      PHE  95 -22.154   8.230  -4.213
  780    HB3  PHE  95           HB3      PHE  95 -21.814   8.433  -2.498
  781    HD1  PHE  95           HD1      PHE  95 -23.465  10.052  -5.394
  782    HD2  PHE  95           HD2      PHE  95 -23.221   9.732  -1.157
  783    HE1  PHE  95           HE1      PHE  95 -25.481  11.441  -5.176
  784    HE2  PHE  95           HE2      PHE  95 -25.241  11.121  -0.933
  785    HZ   PHE  95           HZ       PHE  95 -26.373  11.977  -2.944
  786    H    SER  96           H        SER  96 -20.281   9.167  -1.351
  787    HA   SER  96           HA       SER  96 -20.439  11.839  -0.305
  788    HB2  SER  96           HB2      SER  96 -19.840  10.562   1.855
  789    HB3  SER  96           HB3      SER  96 -21.381  10.171   1.087
  790    HG   SER  96           HG       SER  96 -18.938   8.717   0.847
  791    H    LYS  97           H        LYS  97 -18.531  12.128   1.547
  792    HA   LYS  97           HA       LYS  97 -16.102  12.246   0.064
  793    HB2  LYS  97           HB2      LYS  97 -16.578  12.704   3.009
  794    HB3  LYS  97           HB3      LYS  97 -15.116  13.132   2.123
  795    HG2  LYS  97           HG2      LYS  97 -17.868  14.219   1.583
  796    HG3  LYS  97           HG3      LYS  97 -16.584  15.063   2.461
  797    HD2  LYS  97           HD2      LYS  97 -16.404  14.119  -0.402
  798    HD3  LYS  97           HD3      LYS  97 -16.784  15.769   0.089
  799    HE2  LYS  97           HE2      LYS  97 -14.261  14.366   0.930
  800    HE3  LYS  97           HE3      LYS  97 -14.379  15.288  -0.568
  801    HZ1  LYS  97           HZ1      LYS  97 -14.867  16.365   2.162
  802    HZ2  LYS  97           HZ2      LYS  97 -14.962  17.244   0.714
  803    HZ3  LYS  97           HZ3      LYS  97 -13.471  16.620   1.231
  804    H    HIS  98           H        HIS  98 -14.693  10.743  -0.161
  805    HA   HIS  98           HA       HIS  98 -15.288   8.128   0.592
  806    HB2  HIS  98           HB2      HIS  98 -12.583   8.862  -0.438
  807    HB3  HIS  98           HB3      HIS  98 -13.611   7.502  -0.867
  808    HD1  HIS  98           HD1      HIS  98 -16.122   8.923  -1.869
  809    HD2  HIS  98           HD2      HIS  98 -12.257  10.194  -2.761
  810    HE1  HIS  98           HE1      HIS  98 -16.321  10.308  -3.954
  811    HE2  HIS  98           HE2      HIS  98 -14.033  11.301  -4.283
  812    H    ASP  99           H        ASP  99 -14.889   7.208   2.399
  813    HA   ASP  99           HA       ASP  99 -12.979   8.323   4.275
  814    HB2  ASP  99           HB2      ASP  99 -15.194   7.501   5.032
  815    HB3  ASP  99           HB3      ASP  99 -14.748   5.877   4.526
  816    H    ILE 100           H        ILE 100 -10.897   7.660   4.452
  817    HA   ILE 100           HA       ILE 100  -9.888   5.403   3.080
  818    HB   ILE 100           HB       ILE 100  -8.761   6.754   5.553
  819   HG12  ILE 100          HG12      ILE 100  -8.263   7.301   2.620
  820   HG13  ILE 100          HG13      ILE 100  -9.024   8.385   3.778
  821   HG21  ILE 100          HG21      ILE 100  -7.434   4.984   3.507
  822   HG22  ILE 100          HG22      ILE 100  -6.608   5.827   4.818
  823   HG23  ILE 100          HG23      ILE 100  -7.788   4.567   5.184
  824   HD11  ILE 100          HD11      ILE 100  -6.739   9.051   3.300
  825   HD12  ILE 100          HD12      ILE 100  -6.918   8.571   4.989
  826   HD13  ILE 100          HD13      ILE 100  -6.158   7.475   3.839
  827    H    ILE 101           H        ILE 101 -10.092   3.333   3.616
  828    HA   ILE 101           HA       ILE 101 -11.683   2.688   5.895
  829    HB   ILE 101           HB       ILE 101 -11.449   0.319   5.117
  830   HG12  ILE 101          HG12      ILE 101  -9.728   1.674   3.070
  831   HG13  ILE 101          HG13      ILE 101  -9.450   0.172   3.939
  832   HG21  ILE 101          HG21      ILE 101 -12.427   2.338   3.103
  833   HG22  ILE 101          HG22      ILE 101 -12.910   0.643   3.188
  834   HG23  ILE 101          HG23      ILE 101 -13.326   1.747   4.500
  835   HD11  ILE 101          HD11      ILE 101 -11.467   0.569   1.742
  836   HD12  ILE 101          HD12      ILE 101  -9.911  -0.248   1.596
  837   HD13  ILE 101          HD13      ILE 101 -11.174  -0.934   2.619
  838    H    GLY 102           H        GLY 102  -8.350   2.002   4.863
  839    HA2  GLY 102           HA3      GLY 102  -7.423   2.697   7.425
  840    HA3  GLY 102           HA2      GLY 102  -7.387   0.961   7.282
  841    H    GLU 103           H        GLU 103  -5.055   0.882   7.361
  842    HA   GLU 103           HA       GLU 103  -3.504   1.736   5.192
  843    HB2  GLU 103           HB2      GLU 103  -2.479   3.712   5.924
  844    HB3  GLU 103           HB3      GLU 103  -4.185   3.975   6.253
  845    HG2  GLU 103           HG2      GLU 103  -3.885   3.584   8.574
  846    HG3  GLU 103           HG3      GLU 103  -2.239   2.997   8.316
  847    H    PHE 104           H        PHE 104  -1.175   1.666   5.745
  848    HA   PHE 104           HA       PHE 104  -0.488   0.208   8.185
  849    HB2  PHE 104           HB2      PHE 104  -0.156  -1.774   7.185
  850    HB3  PHE 104           HB3      PHE 104  -0.826  -1.119   5.697
  851    HD1  PHE 104           HD1      PHE 104   2.261  -1.851   7.534
  852    HD2  PHE 104           HD2      PHE 104   0.585  -0.495   3.868
  853    HE1  PHE 104           HE1      PHE 104   4.447  -2.131   6.437
  854    HE2  PHE 104           HE2      PHE 104   2.764  -0.771   2.766
  855    HZ   PHE 104           HZ       PHE 104   4.707  -1.562   4.056
  856    H    LYS 105           H        LYS 105   1.569   0.785   8.860
  857    HA   LYS 105           HA       LYS 105   3.297   2.143   6.939
  858    HB2  LYS 105           HB2      LYS 105   3.985   3.828   8.562
  859    HB3  LYS 105           HB3      LYS 105   2.263   3.944   8.234
  860    HG2  LYS 105           HG2      LYS 105   2.952   2.248  10.520
  861    HG3  LYS 105           HG3      LYS 105   3.374   3.954  10.703
  862    HD2  LYS 105           HD2      LYS 105   0.717   3.219   9.617
  863    HD3  LYS 105           HD3      LYS 105   0.983   3.088  11.363
  864    HE2  LYS 105           HE2      LYS 105   1.693   5.435  11.419
  865    HE3  LYS 105           HE3      LYS 105   1.429   5.562   9.682
  866    HZ1  LYS 105           HZ1      LYS 105  -0.407   6.462  11.030
  867    HZ2  LYS 105           HZ2      LYS 105  -0.701   4.910  11.651
  868    HZ3  LYS 105           HZ3      LYS 105  -0.897   5.217   9.989
  869    H    VAL 106           H        VAL 106   5.326   1.651   7.047
  870    HA   VAL 106           HA       VAL 106   6.495   0.706   9.493
  871    HB   VAL 106           HB       VAL 106   5.804  -1.441   8.475
  872   HG11  VAL 106          HG11      VAL 106   6.849  -2.268   6.440
  873   HG12  VAL 106          HG12      VAL 106   5.875  -0.831   6.120
  874   HG13  VAL 106          HG13      VAL 106   7.633  -0.705   6.200
  875   HG21  VAL 106          HG21      VAL 106   7.754  -1.408   9.886
  876   HG22  VAL 106          HG22      VAL 106   8.014  -2.539   8.558
  877   HG23  VAL 106          HG23      VAL 106   8.775  -0.949   8.523
  878    HA   PRO 107           HA       PRO 107   9.228   3.739   7.717
  879    HB2  PRO 107           HB2      PRO 107  11.195   3.331   9.605
  880    HB3  PRO 107           HB3      PRO 107   9.822   4.430   9.801
  881    HG2  PRO 107           HG2      PRO 107  10.116   1.604  10.730
  882    HG3  PRO 107           HG3      PRO 107   9.493   3.007  11.626
  883    HD2  PRO 107           HD2      PRO 107   7.789   1.278  10.584
  884    HD3  PRO 107           HD3      PRO 107   7.494   3.024  10.397
  885    H    MET 108           H        MET 108  10.550   3.425   6.163
  886    HA   MET 108           HA       MET 108  11.614   0.980   5.350
  887    HB2  MET 108           HB2      MET 108  12.502   3.769   4.615
  888    HB3  MET 108           HB3      MET 108  12.802   2.307   3.682
  889    HG2  MET 108           HG2      MET 108  10.292   3.860   4.062
  890    HG3  MET 108           HG3      MET 108  11.054   3.319   2.569
  891    HE1  MET 108           HE1      MET 108  11.643   0.289   3.007
  892    HE2  MET 108           HE2      MET 108  10.145  -0.483   2.477
  893    HE3  MET 108           HE3      MET 108  10.813   0.870   1.564
  894    H    ASN 109           H        ASN 109  12.549   3.439   7.471
  895    HA   ASN 109           HA       ASN 109  15.309   3.085   7.747
  896    HB2  ASN 109           HB2      ASN 109  13.649   4.844   8.739
  897    HB3  ASN 109           HB3      ASN 109  13.465   3.688  10.052
  898   HD21  ASN 109          HD21      ASN 109  15.581   5.894   8.417
  899   HD22  ASN 109          HD22      ASN 109  16.799   5.960   9.688
  900    H    THR 110           H        THR 110  12.579   1.230   8.828
  901    HA   THR 110           HA       THR 110  14.189  -0.375  10.665
  902    HB   THR 110           HB       THR 110  11.216  -0.532  10.119
  903    HG1  THR 110           HG1      THR 110  12.632   1.332  11.423
  904   HG21  THR 110          HG21      THR 110  12.878  -1.585  12.416
  905   HG22  THR 110          HG22      THR 110  12.192  -2.562  11.118
  906   HG23  THR 110          HG23      THR 110  11.126  -1.727  12.248
  907    H    VAL 111           H        VAL 111  12.993  -0.301   7.497
  908    HA   VAL 111           HA       VAL 111  12.564  -3.129   7.224
  909    HB   VAL 111           HB       VAL 111  12.522  -0.937   5.142
  910   HG11  VAL 111          HG11      VAL 111  11.645  -3.815   4.921
  911   HG12  VAL 111          HG12      VAL 111  11.430  -2.574   3.688
  912   HG13  VAL 111          HG13      VAL 111  13.053  -3.100   4.136
  913   HG21  VAL 111          HG21      VAL 111  10.764  -0.743   6.839
  914   HG22  VAL 111          HG22      VAL 111  10.097  -1.169   5.263
  915   HG23  VAL 111          HG23      VAL 111  10.269  -2.403   6.511
  916    H    ASP 112           H        ASP 112  14.062  -4.520   6.848
  917    HA   ASP 112           HA       ASP 112  16.722  -3.766   6.077
  918    HB2  ASP 112           HB2      ASP 112  16.374  -5.649   7.595
  919    HB3  ASP 112           HB3      ASP 112  15.460  -6.505   6.357
  920    H    PHE 113           H        PHE 113  17.024  -3.083   4.090
  921    HA   PHE 113           HA       PHE 113  15.774  -4.373   1.801
  922    HB2  PHE 113           HB2      PHE 113  16.986  -2.499   0.583
  923    HB3  PHE 113           HB3      PHE 113  15.824  -1.949   1.788
  924    HD1  PHE 113           HD1      PHE 113  16.768  -1.365   4.126
  925    HD2  PHE 113           HD2      PHE 113  19.180  -1.704   0.640
  926    HE1  PHE 113           HE1      PHE 113  18.516  -0.013   5.207
  927    HE2  PHE 113           HE2      PHE 113  20.930  -0.354   1.715
  928    HZ   PHE 113           HZ       PHE 113  20.622   0.452   4.021
  929    H    GLY 114           H        GLY 114  17.267  -6.232   2.890
  930    HA2  GLY 114           HA3      GLY 114  19.856  -6.254   1.569
  931    HA3  GLY 114           HA2      GLY 114  19.165  -7.552   2.540
  932    H    HIS 115           H        HIS 115  16.865  -8.115   1.439
  933    HA   HIS 115           HA       HIS 115  17.485  -8.831  -1.325
  934    HB2  HIS 115           HB2      HIS 115  16.227 -10.665   0.728
  935    HB3  HIS 115           HB3      HIS 115  16.551 -11.059  -0.955
  936    HD1  HIS 115           HD1      HIS 115  18.373 -10.328   2.281
  937    HD2  HIS 115           HD2      HIS 115  19.072 -12.048  -1.443
  938    HE1  HIS 115           HE1      HIS 115  20.638 -11.409   2.446
  939    HE2  HIS 115           HE2      HIS 115  20.945 -12.620   0.258
  940    H    VAL 116           H        VAL 116  14.785 -10.211   0.080
  941    HA   VAL 116           HA       VAL 116  12.954  -8.232  -1.053
  942    HB   VAL 116           HB       VAL 116  11.444 -10.066  -1.739
  943   HG11  VAL 116          HG11      VAL 116  12.735 -10.832  -3.688
  944   HG12  VAL 116          HG12      VAL 116  12.931  -9.104  -3.398
  945   HG13  VAL 116          HG13      VAL 116  14.209 -10.227  -2.933
  946   HG21  VAL 116          HG21      VAL 116  13.746 -11.873  -1.007
  947   HG22  VAL 116          HG22      VAL 116  12.174 -11.806  -0.208
  948   HG23  VAL 116          HG23      VAL 116  12.293 -12.369  -1.876
  949    H    THR 117           H        THR 117  11.388  -7.592   0.323
  950    HA   THR 117           HA       THR 117  11.118  -8.992   2.865
  951    HB   THR 117           HB       THR 117  10.012  -6.345   1.903
  952    HG1  THR 117           HG1      THR 117  12.248  -7.202   3.273
  953   HG21  THR 117          HG21      THR 117   8.445  -7.388   3.474
  954   HG22  THR 117          HG22      THR 117   9.256  -6.007   4.217
  955   HG23  THR 117          HG23      THR 117   9.758  -7.650   4.618
  956    H    GLU 118           H        GLU 118   9.935 -10.744   2.564
  957    HA   GLU 118           HA       GLU 118   7.280 -10.412   1.310
  958    HB2  GLU 118           HB2      GLU 118   8.906 -12.951   1.570
  959    HB3  GLU 118           HB3      GLU 118   7.307 -12.828   0.854
  960    HG2  GLU 118           HG2      GLU 118   8.287 -11.294  -0.859
  961    HG3  GLU 118           HG3      GLU 118   9.876 -11.675  -0.194
  962    H    GLU 119           H        GLU 119   5.809 -10.179   2.809
  963    HA   GLU 119           HA       GLU 119   5.537 -12.195   4.817
  964    HB2  GLU 119           HB2      GLU 119   5.613 -10.705   6.746
  965    HB3  GLU 119           HB3      GLU 119   7.183 -10.812   5.956
  966    HG2  GLU 119           HG2      GLU 119   6.724  -8.659   4.837
  967    HG3  GLU 119           HG3      GLU 119   5.207  -8.554   5.729
  968    H    TRP 120           H        TRP 120   3.676 -11.880   6.102
  969    HA   TRP 120           HA       TRP 120   1.528 -10.673   4.562
  970    HB2  TRP 120           HB2      TRP 120   1.360 -12.159   7.199
  971    HB3  TRP 120           HB3      TRP 120   0.027 -11.783   6.117
  972    HD1  TRP 120           HD1      TRP 120   0.810 -14.760   7.094
  973    HE1  TRP 120           HE1      TRP 120   1.283 -16.562   5.319
  974    HE3  TRP 120           HE3      TRP 120   1.910 -11.734   3.115
  975    HZ2  TRP 120           HZ2      TRP 120   2.021 -16.685   2.601
  976    HZ3  TRP 120           HZ3      TRP 120   2.477 -12.771   0.967
  977    HH2  TRP 120           HH2      TRP 120   2.537 -15.201   0.713
  978    H    ARG 121           H        ARG 121   1.266  -8.523   4.833
  979    HA   ARG 121           HA       ARG 121   1.867  -7.461   7.508
  980    HB2  ARG 121           HB2      ARG 121   3.202  -6.553   5.697
  981    HB3  ARG 121           HB3      ARG 121   1.753  -6.140   4.794
  982    HG2  ARG 121           HG2      ARG 121   2.698  -4.170   5.819
  983    HG3  ARG 121           HG3      ARG 121   1.130  -4.535   6.540
  984    HD2  ARG 121           HD2      ARG 121   2.703  -3.902   8.262
  985    HD3  ARG 121           HD3      ARG 121   2.276  -5.603   8.437
  986    HE   ARG 121           HE       ARG 121   4.546  -5.667   6.947
  987   HH11  ARG 121          HH12      ARG 121   3.697  -4.111   9.967
  988   HH12  ARG 121          HH11      ARG 121   5.291  -4.287  10.656
  989   HH21  ARG 121          HH22      ARG 121   6.646  -5.928   7.853
  990   HH22  ARG 121          HH21      ARG 121   6.949  -5.328   9.458
  991    H    ASP 122           H        ASP 122   0.403  -5.950   8.489
  992    HA   ASP 122           HA       ASP 122  -2.315  -6.902   7.916
  993    HB2  ASP 122           HB2      ASP 122  -2.780  -6.353  10.272
  994    HB3  ASP 122           HB3      ASP 122  -1.429  -7.471  10.142
  995    H    LEU 123           H        LEU 123  -3.828  -5.590   7.466
  996    HA   LEU 123           HA       LEU 123  -3.241  -2.782   7.182
  997    HB2  LEU 123           HB2      LEU 123  -5.406  -4.599   6.181
  998    HB3  LEU 123           HB3      LEU 123  -5.564  -2.854   6.091
  999    HG   LEU 123           HG       LEU 123  -3.326  -4.432   4.845
 1000   HD11  LEU 123          HD11      LEU 123  -5.561  -4.846   3.824
 1001   HD12  LEU 123          HD12      LEU 123  -5.661  -3.120   3.474
 1002   HD13  LEU 123          HD13      LEU 123  -4.389  -4.103   2.730
 1003   HD21  LEU 123          HD21      LEU 123  -2.696  -2.152   5.444
 1004   HD22  LEU 123          HD22      LEU 123  -2.797  -2.354   3.692
 1005   HD23  LEU 123          HD23      LEU 123  -4.095  -1.532   4.564
 1006    H    GLN 124           H        GLN 124  -3.829  -1.428   8.698
 1007    HA   GLN 124           HA       GLN 124  -5.729  -2.328  10.719
 1008    HB2  GLN 124           HB2      GLN 124  -4.577  -1.098  12.271
 1009    HB3  GLN 124           HB3      GLN 124  -3.250  -1.419  11.156
 1010    HG2  GLN 124           HG2      GLN 124  -4.043   0.809  10.054
 1011    HG3  GLN 124           HG3      GLN 124  -4.770   1.093  11.633
 1012   HE21  GLN 124          HE21      GLN 124  -2.673   2.526  10.336
 1013   HE22  GLN 124          HE22      GLN 124  -1.296   2.457  11.383
 1014    H    SER 125           H        SER 125  -7.516  -1.033  11.121
 1015    HA   SER 125           HA       SER 125  -8.419   0.584   8.969
 1016    HB2  SER 125           HB2      SER 125  -9.610   0.514  11.744
 1017    HB3  SER 125           HB3      SER 125 -10.429   0.875  10.224
 1018    HG   SER 125           HG       SER 125 -10.804  -1.168  10.041
 1019    H    ALA 126           H        ALA 126  -7.341   2.469   8.645
 1020    HA   ALA 126           HA       ALA 126  -7.008   4.221  10.940
 1021    HB1  ALA 126           HB1      ALA 126  -5.754   5.659   9.412
 1022    HB2  ALA 126           HB2      ALA 126  -5.105   4.019   9.429
 1023    HB3  ALA 126           HB3      ALA 126  -6.109   4.555   8.082
 1024    H    GLU 127           H        GLU 127  -8.184   5.874  11.241
 1025    HA   GLU 127           HA       GLU 127 -10.349   6.541   9.387
 1026    HB2  GLU 127           HB2      GLU 127  -9.898   7.457  12.237
 1027    HB3  GLU 127           HB3      GLU 127 -11.338   7.749  11.270
 1028    HG2  GLU 127           HG2      GLU 127 -11.844   5.396  11.225
 1029    HG3  GLU 127           HG3      GLU 127 -10.338   5.019  12.058
 1030    H    LYS 128           H        LYS 128  -8.932   7.570   7.887
 1031    HA   LYS 128           HA       LYS 128  -7.796  10.129   8.788
 1032    HB2  LYS 128           HB2      LYS 128  -6.949   8.299   6.535
 1033    HB3  LYS 128           HB3      LYS 128  -6.305   9.918   6.770
 1034    HG2  LYS 128           HG2      LYS 128  -6.132   7.740   8.838
 1035    HG3  LYS 128           HG3      LYS 128  -4.878   8.057   7.636
 1036    HD2  LYS 128           HD2      LYS 128  -4.587  10.309   8.497
 1037    HD3  LYS 128           HD3      LYS 128  -5.896  10.059   9.653
 1038    HE2  LYS 128           HE2      LYS 128  -3.714   9.817  10.724
 1039    HE3  LYS 128           HE3      LYS 128  -4.607   8.298  10.747
 1040    HZ1  LYS 128           HZ1      LYS 128  -2.461   8.983   8.805
 1041    HZ2  LYS 128           HZ2      LYS 128  -3.283   7.501   8.906
 1042    HZ3  LYS 128           HZ3      LYS 128  -2.266   7.998  10.169
  Start of MODEL    3
    1    H1   GLU   1           H1       GLU   1  -6.236  -1.989  16.560
    2    H2   GLU   1           H2       GLU   1  -4.997  -2.763  15.695
    3    H3   GLU   1           H3       GLU   1  -6.345  -3.649  16.226
    4    HA   GLU   1           HA       GLU   1  -7.783  -2.311  14.814
    5    HB2  GLU   1           HB2      GLU   1  -6.789  -0.958  13.042
    6    HB3  GLU   1           HB3      GLU   1  -6.413  -0.322  14.623
    7    HG2  GLU   1           HG2      GLU   1  -4.537  -1.980  12.953
    8    HG3  GLU   1           HG3      GLU   1  -4.544  -0.220  13.003
    9    H    LYS   2           H        LYS   2  -8.299  -3.063  12.722
   10    HA   LYS   2           HA       LYS   2  -6.761  -5.026  11.394
   11    HB2  LYS   2           HB2      LYS   2  -8.436  -6.924  12.258
   12    HB3  LYS   2           HB3      LYS   2  -6.889  -6.598  13.019
   13    HG2  LYS   2           HG2      LYS   2  -8.358  -6.758  14.804
   14    HG3  LYS   2           HG3      LYS   2  -8.193  -5.026  14.566
   15    HD2  LYS   2           HD2      LYS   2 -10.495  -5.468  14.932
   16    HD3  LYS   2           HD3      LYS   2 -10.306  -5.106  13.216
   17    HE2  LYS   2           HE2      LYS   2 -11.799  -7.008  13.575
   18    HE3  LYS   2           HE3      LYS   2 -10.346  -7.484  12.694
   19    HZ1  LYS   2           HZ1      LYS   2 -11.085  -9.006  14.542
   20    HZ2  LYS   2           HZ2      LYS   2 -10.601  -7.796  15.628
   21    HZ3  LYS   2           HZ3      LYS   2  -9.464  -8.513  14.594
   22    H    LEU   3           H        LEU   3  -7.693  -3.843   9.615
   23    HA   LEU   3           HA       LEU   3 -10.367  -4.578   8.920
   24    HB2  LEU   3           HB2      LEU   3  -9.874  -3.622   6.672
   25    HB3  LEU   3           HB3      LEU   3  -9.758  -2.504   8.004
   26    HG   LEU   3           HG       LEU   3  -8.041  -2.202   6.189
   27   HD11  LEU   3          HD11      LEU   3  -7.921  -1.708   8.779
   28   HD12  LEU   3          HD12      LEU   3  -6.494  -2.729   8.584
   29   HD13  LEU   3          HD13      LEU   3  -6.674  -1.270   7.613
   30   HD21  LEU   3          HD21      LEU   3  -6.931  -4.746   7.328
   31   HD22  LEU   3          HD22      LEU   3  -7.567  -4.517   5.700
   32   HD23  LEU   3          HD23      LEU   3  -6.107  -3.668   6.203
   33    H    GLY   4           H        GLY   4  -7.690  -6.356   9.278
   34    HA2  GLY   4           HA3      GLY   4  -7.261  -8.479   8.240
   35    HA3  GLY   4           HA2      GLY   4  -8.077  -7.884   6.797
   36    H    LYS   5           H        LYS   5  -6.328  -8.143   5.315
   37    HA   LYS   5           HA       LYS   5  -3.770  -6.979   6.162
   38    HB2  LYS   5           HB2      LYS   5  -4.287  -9.879   5.616
   39    HB3  LYS   5           HB3      LYS   5  -2.715  -9.189   5.258
   40    HG2  LYS   5           HG2      LYS   5  -2.615  -8.442   7.648
   41    HG3  LYS   5           HG3      LYS   5  -4.067  -9.409   7.926
   42    HD2  LYS   5           HD2      LYS   5  -2.924 -11.413   7.220
   43    HD3  LYS   5           HD3      LYS   5  -1.497 -10.484   6.758
   44    HE2  LYS   5           HE2      LYS   5  -1.343  -9.760   9.166
   45    HE3  LYS   5           HE3      LYS   5  -2.586 -10.957   9.525
   46    HZ1  LYS   5           HZ1      LYS   5  -0.417 -11.870   9.935
   47    HZ2  LYS   5           HZ2      LYS   5   0.098 -11.496   8.367
   48    HZ3  LYS   5           HZ3      LYS   5  -1.104 -12.671   8.607
   49    H    LEU   6           H        LEU   6  -2.122  -7.080   4.500
   50    HA   LEU   6           HA       LEU   6  -3.118  -7.522   1.806
   51    HB2  LEU   6           HB2      LEU   6  -2.889  -5.413   1.209
   52    HB3  LEU   6           HB3      LEU   6  -2.498  -5.001   2.884
   53    HG   LEU   6           HG       LEU   6  -0.186  -5.971   1.393
   54   HD11  LEU   6          HD11      LEU   6   0.027  -3.966  -0.023
   55   HD12  LEU   6          HD12      LEU   6  -1.362  -4.949  -0.504
   56   HD13  LEU   6          HD13      LEU   6  -1.600  -3.466   0.437
   57   HD21  LEU   6          HD21      LEU   6   0.809  -3.989   2.387
   58   HD22  LEU   6          HD22      LEU   6  -0.785  -3.362   2.815
   59   HD23  LEU   6          HD23      LEU   6  -0.167  -4.821   3.604
   60    H    GLN   7           H        GLN   7  -2.005  -9.083   1.029
   61    HA   GLN   7           HA       GLN   7   0.451  -9.833   2.354
   62    HB2  GLN   7           HB2      GLN   7   0.014 -11.798   0.530
   63    HB3  GLN   7           HB3      GLN   7  -0.662 -11.800   2.150
   64    HG2  GLN   7           HG2      GLN   7  -2.185 -10.514  -0.067
   65    HG3  GLN   7           HG3      GLN   7  -2.163 -12.270   0.067
   66   HE21  GLN   7          HE21      GLN   7  -3.313  -9.303   1.452
   67   HE22  GLN   7          HE22      GLN   7  -4.385 -10.019   2.603
   68    H    TYR   8           H        TYR   8   2.397  -9.375   1.483
   69    HA   TYR   8           HA       TYR   8   2.535  -9.073  -1.386
   70    HB2  TYR   8           HB2      TYR   8   3.688  -6.857  -1.237
   71    HB3  TYR   8           HB3      TYR   8   1.957  -6.868  -0.924
   72    HD1  TYR   8           HD2      TYR   8   3.703  -8.150   1.904
   73    HD2  TYR   8           HD1      TYR   8   2.696  -4.524  -0.082
   74    HE1  TYR   8           HE2      TYR   8   4.122  -6.901   3.975
   75    HE2  TYR   8           HE1      TYR   8   3.123  -3.271   1.985
   76    HH   TYR   8           HH       TYR   8   3.188  -3.658   4.392
   77    H    SER   9           H        SER   9   4.814  -8.491  -2.132
   78    HA   SER   9           HA       SER   9   6.858  -9.801  -0.457
   79    HB2  SER   9           HB2      SER   9   7.954 -10.585  -2.562
   80    HB3  SER   9           HB3      SER   9   6.416 -11.373  -2.254
   81    HG   SER   9           HG       SER   9   5.609 -10.468  -4.003
   82    H    LEU  10           H        LEU  10   8.507  -8.673  -0.159
   83    HA   LEU  10           HA       LEU  10   8.632  -6.118  -1.545
   84    HB2  LEU  10           HB2      LEU  10   9.458  -6.504   1.317
   85    HB3  LEU  10           HB3      LEU  10   9.030  -5.021   0.494
   86    HG   LEU  10           HG       LEU  10   7.220  -5.378   1.944
   87   HD11  LEU  10          HD11      LEU  10   5.273  -6.074   0.618
   88   HD12  LEU  10          HD12      LEU  10   6.324  -4.956  -0.265
   89   HD13  LEU  10          HD13      LEU  10   6.357  -6.682  -0.632
   90   HD21  LEU  10          HD21      LEU  10   7.179  -8.257   1.124
   91   HD22  LEU  10          HD22      LEU  10   7.830  -7.629   2.641
   92   HD23  LEU  10          HD23      LEU  10   6.104  -7.491   2.295
   93    H    ASP  11           H        ASP  11  10.336  -5.763  -2.483
   94    HA   ASP  11           HA       ASP  11  12.892  -7.007  -1.841
   95    HB2  ASP  11           HB2      ASP  11  11.582  -8.384  -3.536
   96    HB3  ASP  11           HB3      ASP  11  11.697  -7.008  -4.627
   97    H    TYR  12           H        TYR  12  14.595  -5.937  -3.405
   98    HA   TYR  12           HA       TYR  12  13.737  -3.334  -4.365
   99    HB2  TYR  12           HB2      TYR  12  15.481  -2.103  -3.317
  100    HB3  TYR  12           HB3      TYR  12  14.652  -3.001  -2.058
  101    HD1  TYR  12           HD1      TYR  12  15.887  -5.578  -1.927
  102    HD2  TYR  12           HD2      TYR  12  17.688  -1.834  -2.848
  103    HE1  TYR  12           HE1      TYR  12  18.055  -6.432  -1.143
  104    HE2  TYR  12           HE2      TYR  12  19.859  -2.682  -2.071
  105    HH   TYR  12           HH       TYR  12  20.431  -5.986  -1.453
  106    H    ASP  13           H        ASP  13  14.218  -3.316  -6.435
  107    HA   ASP  13           HA       ASP  13  16.721  -4.518  -7.332
  108    HB2  ASP  13           HB2      ASP  13  14.693  -4.542  -8.825
  109    HB3  ASP  13           HB3      ASP  13  14.783  -2.785  -8.898
  110    H    PHE  14           H        PHE  14  18.478  -3.375  -6.714
  111    HA   PHE  14           HA       PHE  14  17.929  -0.641  -5.954
  112    HB2  PHE  14           HB2      PHE  14  20.082  -0.741  -4.752
  113    HB3  PHE  14           HB3      PHE  14  18.955  -1.992  -4.255
  114    HD1  PHE  14           HD1      PHE  14  19.297  -4.333  -5.131
  115    HD2  PHE  14           HD2      PHE  14  22.220  -1.270  -5.521
  116    HE1  PHE  14           HE1      PHE  14  21.029  -6.040  -5.491
  117    HE2  PHE  14           HE2      PHE  14  23.958  -2.971  -5.887
  118    HZ   PHE  14           HZ       PHE  14  23.364  -5.360  -5.874
  119    H    GLN  15           H        GLN  15  19.635  -2.291  -8.537
  120    HA   GLN  15           HA       GLN  15  21.035   0.209  -8.989
  121    HB2  GLN  15           HB2      GLN  15  22.106  -0.902 -10.842
  122    HB3  GLN  15           HB3      GLN  15  22.248  -1.861  -9.390
  123    HG2  GLN  15           HG2      GLN  15  20.220  -2.364 -11.546
  124    HG3  GLN  15           HG3      GLN  15  21.797  -3.146 -11.474
  125   HE21  GLN  15          HE21      GLN  15  19.087  -4.235 -11.341
  126   HE22  GLN  15          HE22      GLN  15  18.986  -5.099  -9.849
  127    H    ASN  16           H        ASN  16  17.822  -0.756  -9.720
  128    HA   ASN  16           HA       ASN  16  18.021   1.681 -11.332
  129    HB2  ASN  16           HB2      ASN  16  15.647   1.357 -11.872
  130    HB3  ASN  16           HB3      ASN  16  16.638   0.011 -12.396
  131   HD21  ASN  16          HD21      ASN  16  14.984  -1.440 -12.463
  132   HD22  ASN  16          HD22      ASN  16  14.185  -2.028 -11.048
  133    H    ASN  17           H        ASN  17  17.856   0.663  -8.302
  134    HA   ASN  17           HA       ASN  17  17.544   1.557  -6.320
  135    HB2  ASN  17           HB2      ASN  17  18.347   3.785  -7.986
  136    HB3  ASN  17           HB3      ASN  17  17.403   4.297  -6.585
  137   HD21  ASN  17          HD21      ASN  17  20.098   4.901  -6.895
  138   HD22  ASN  17          HD22      ASN  17  21.019   4.060  -5.690
  139    H    GLN  18           H        GLN  18  15.272   0.562  -7.000
  140    HA   GLN  18           HA       GLN  18  13.469   2.437  -5.679
  141    HB2  GLN  18           HB2      GLN  18  11.553   1.723  -7.075
  142    HB3  GLN  18           HB3      GLN  18  12.759   2.632  -7.962
  143    HG2  GLN  18           HG2      GLN  18  12.863   1.021  -9.460
  144    HG3  GLN  18           HG3      GLN  18  13.430  -0.094  -8.222
  145   HE21  GLN  18          HE21      GLN  18  10.945   0.000  -6.706
  146   HE22  GLN  18          HE22      GLN  18   9.794  -0.913  -7.617
  147    H    LEU  19           H        LEU  19  12.055   1.559  -4.294
  148    HA   LEU  19           HA       LEU  19  12.650  -1.148  -3.465
  149    HB2  LEU  19           HB2      LEU  19  10.790   0.935  -2.311
  150    HB3  LEU  19           HB3      LEU  19  11.089  -0.637  -1.592
  151    HG   LEU  19           HG       LEU  19  13.176   1.511  -2.005
  152   HD11  LEU  19          HD11      LEU  19  13.099   1.762   0.420
  153   HD12  LEU  19          HD12      LEU  19  11.531   2.125  -0.303
  154   HD13  LEU  19          HD13      LEU  19  11.794   0.580   0.507
  155   HD21  LEU  19          HD21      LEU  19  14.119  -0.732  -2.096
  156   HD22  LEU  19          HD22      LEU  19  14.580   0.074  -0.597
  157   HD23  LEU  19          HD23      LEU  19  13.310  -1.149  -0.586
  158    H    LEU  20           H        LEU  20  11.058  -2.795  -3.260
  159    HA   LEU  20           HA       LEU  20   8.885  -2.502  -5.251
  160    HB2  LEU  20           HB2      LEU  20  11.227  -3.762  -5.654
  161    HB3  LEU  20           HB3      LEU  20  10.366  -5.057  -4.868
  162    HG   LEU  20           HG       LEU  20   9.123  -3.722  -7.226
  163   HD11  LEU  20          HD11      LEU  20  11.412  -4.197  -7.916
  164   HD12  LEU  20          HD12      LEU  20  11.245  -5.857  -7.339
  165   HD13  LEU  20          HD13      LEU  20  10.274  -5.294  -8.700
  166   HD21  LEU  20          HD21      LEU  20   8.179  -5.951  -7.541
  167   HD22  LEU  20          HD22      LEU  20   9.123  -6.551  -6.178
  168   HD23  LEU  20          HD23      LEU  20   7.850  -5.360  -5.912
  169    H    VAL  21           H        VAL  21   6.921  -2.927  -4.208
  170    HA   VAL  21           HA       VAL  21   6.923  -5.226  -2.391
  171    HB   VAL  21           HB       VAL  21   5.251  -4.052  -1.031
  172   HG11  VAL  21          HG11      VAL  21   6.714  -2.367  -0.005
  173   HG12  VAL  21          HG12      VAL  21   7.580  -3.861  -0.373
  174   HG13  VAL  21          HG13      VAL  21   7.768  -2.453  -1.417
  175   HG21  VAL  21          HG21      VAL  21   4.855  -1.650  -1.300
  176   HG22  VAL  21          HG22      VAL  21   5.763  -1.693  -2.811
  177   HG23  VAL  21          HG23      VAL  21   4.251  -2.587  -2.668
  178    H    GLY  22           H        GLY  22   6.301  -6.419  -4.355
  179    HA2  GLY  22           HA3      GLY  22   3.595  -5.711  -5.347
  180    HA3  GLY  22           HA2      GLY  22   4.834  -6.464  -6.320
  181    H    ILE  23           H        ILE  23   2.706  -7.246  -3.435
  182    HA   ILE  23           HA       ILE  23   2.554  -9.731  -4.939
  183    HB   ILE  23           HB       ILE  23   2.560  -9.617  -1.996
  184   HG12  ILE  23          HG12      ILE  23   4.528 -10.180  -3.265
  185   HG13  ILE  23          HG13      ILE  23   3.950 -11.611  -2.413
  186   HG21  ILE  23          HG21      ILE  23   1.710 -11.865  -1.779
  187   HG22  ILE  23          HG22      ILE  23   0.446 -10.806  -2.403
  188   HG23  ILE  23          HG23      ILE  23   1.298 -11.899  -3.494
  189   HD11  ILE  23          HD11      ILE  23   3.478 -10.988  -5.323
  190   HD12  ILE  23          HD12      ILE  23   4.645 -12.145  -4.683
  191   HD13  ILE  23          HD13      ILE  23   2.918 -12.424  -4.468
  192    H    ILE  24           H        ILE  24  -0.170  -9.300  -2.667
  193    HA   ILE  24           HA       ILE  24  -1.571  -9.703  -5.240
  194    HB   ILE  24           HB       ILE  24  -2.666 -10.944  -2.736
  195   HG12  ILE  24          HG12      ILE  24  -0.421 -11.943  -3.111
  196   HG13  ILE  24          HG13      ILE  24  -1.727 -13.091  -3.354
  197   HG21  ILE  24          HG21      ILE  24  -3.829 -12.363  -4.386
  198   HG22  ILE  24          HG22      ILE  24  -4.180 -10.648  -4.601
  199   HG23  ILE  24          HG23      ILE  24  -3.050 -11.460  -5.686
  200   HD11  ILE  24          HD11      ILE  24  -0.234 -11.660  -5.533
  201   HD12  ILE  24          HD12      ILE  24   0.027 -13.328  -5.022
  202   HD13  ILE  24          HD13      ILE  24  -1.508 -12.859  -5.753
  203    H    GLN  25           H        GLN  25  -2.538  -9.011  -1.839
  204    HA   GLN  25           HA       GLN  25  -4.615  -7.286  -2.874
  205    HB2  GLN  25           HB2      GLN  25  -6.330  -8.930  -1.858
  206    HB3  GLN  25           HB3      GLN  25  -5.723  -9.196  -3.482
  207    HG2  GLN  25           HG2      GLN  25  -5.416 -11.284  -2.776
  208    HG3  GLN  25           HG3      GLN  25  -3.951 -10.637  -2.049
  209   HE21  GLN  25          HE21      GLN  25  -5.515  -9.162  -0.033
  210   HE22  GLN  25          HE22      GLN  25  -5.928 -10.367   1.115
  211    H    ALA  26           H        ALA  26  -5.957  -6.427  -1.446
  212    HA   ALA  26           HA       ALA  26  -5.135  -6.610   1.373
  213    HB1  ALA  26           HB1      ALA  26  -5.191  -4.327   0.429
  214    HB2  ALA  26           HB2      ALA  26  -6.887  -4.556   0.001
  215    HB3  ALA  26           HB3      ALA  26  -6.399  -4.536   1.697
  216    H    ALA  27           H        ALA  27  -6.820  -7.062   2.885
  217    HA   ALA  27           HA       ALA  27  -9.073  -8.475   1.625
  218    HB1  ALA  27           HB1      ALA  27  -7.235 -10.009   2.171
  219    HB2  ALA  27           HB2      ALA  27  -7.395  -9.562   3.870
  220    HB3  ALA  27           HB3      ALA  27  -8.725 -10.375   3.041
  221    H    GLU  28           H        GLU  28 -10.962  -8.159   2.404
  222    HA   GLU  28           HA       GLU  28 -12.735  -7.954   3.819
  223    HB2  GLU  28           HB2      GLU  28 -10.791  -8.363   6.088
  224    HB3  GLU  28           HB3      GLU  28 -12.524  -8.632   6.114
  225    HG2  GLU  28           HG2      GLU  28 -12.273 -10.503   4.588
  226    HG3  GLU  28           HG3      GLU  28 -10.536 -10.211   4.499
  227    H    LEU  29           H        LEU  29 -11.578  -5.583   3.024
  228    HA   LEU  29           HA       LEU  29 -11.273  -3.860   5.323
  229    HB2  LEU  29           HB2      LEU  29 -11.606  -3.044   2.440
  230    HB3  LEU  29           HB3      LEU  29 -10.834  -2.145   3.739
  231    HG   LEU  29           HG       LEU  29  -9.652  -4.785   3.113
  232   HD11  LEU  29          HD11      LEU  29 -10.118  -3.943   0.871
  233   HD12  LEU  29          HD12      LEU  29  -9.346  -2.409   1.276
  234   HD13  LEU  29          HD13      LEU  29  -8.389  -3.890   1.216
  235   HD21  LEU  29          HD21      LEU  29  -7.602  -3.623   3.581
  236   HD22  LEU  29          HD22      LEU  29  -8.440  -2.068   3.584
  237   HD23  LEU  29          HD23      LEU  29  -8.778  -3.258   4.842
  238    HA   PRO  30           HA       PRO  30 -15.479  -2.721   6.056
  239    HB2  PRO  30           HB2      PRO  30 -14.566   0.109   6.048
  240    HB3  PRO  30           HB3      PRO  30 -15.440  -0.789   7.293
  241    HG2  PRO  30           HG2      PRO  30 -12.860  -0.235   7.595
  242    HG3  PRO  30           HG3      PRO  30 -13.513  -1.804   8.099
  243    HD2  PRO  30           HD2      PRO  30 -11.919  -1.107   5.667
  244    HD3  PRO  30           HD3      PRO  30 -11.837  -2.553   6.695
  245    H    ALA  31           H        ALA  31 -17.312  -1.999   5.006
  246    HA   ALA  31           HA       ALA  31 -16.959  -1.537   2.175
  247    HB1  ALA  31           HB1      ALA  31 -19.472  -1.981   3.782
  248    HB2  ALA  31           HB2      ALA  31 -19.331  -2.035   2.024
  249    HB3  ALA  31           HB3      ALA  31 -18.510  -3.244   3.013
  250    H    LEU  32           H        LEU  32 -16.894   0.452   1.328
  251    HA   LEU  32           HA       LEU  32 -18.730   2.490   2.421
  252    HB2  LEU  32           HB2      LEU  32 -15.974   2.696   1.294
  253    HB3  LEU  32           HB3      LEU  32 -17.081   4.022   1.018
  254    HG   LEU  32           HG       LEU  32 -15.524   4.284   2.972
  255   HD11  LEU  32          HD11      LEU  32 -17.415   5.702   2.831
  256   HD12  LEU  32          HD12      LEU  32 -18.499   4.408   3.364
  257   HD13  LEU  32          HD13      LEU  32 -17.336   5.106   4.491
  258   HD21  LEU  32          HD21      LEU  32 -17.261   2.081   4.058
  259   HD22  LEU  32          HD22      LEU  32 -15.510   2.069   3.852
  260   HD23  LEU  32          HD23      LEU  32 -16.245   3.124   5.063
  261    H    ASP  33           H        ASP  33 -19.726   0.612   0.656
  262    HA   ASP  33           HA       ASP  33 -20.193   2.263  -1.696
  263    HB2  ASP  33           HB2      ASP  33 -18.386   1.012  -2.522
  264    HB3  ASP  33           HB3      ASP  33 -18.926  -0.462  -1.729
  265    H    MET  34           H        MET  34 -21.980   1.559  -2.991
  266    HA   MET  34           HA       MET  34 -24.137   0.747  -1.254
  267    HB2  MET  34           HB2      MET  34 -23.991   1.942  -4.010
  268    HB3  MET  34           HB3      MET  34 -25.500   1.289  -3.392
  269    HG2  MET  34           HG2      MET  34 -25.413   3.674  -3.061
  270    HG3  MET  34           HG3      MET  34 -25.405   2.842  -1.512
  271    HE1  MET  34           HE1      MET  34 -22.445   3.415  -4.070
  272    HE2  MET  34           HE2      MET  34 -23.331   4.939  -4.097
  273    HE3  MET  34           HE3      MET  34 -21.712   4.874  -3.401
  274    H    GLY  35           H        GLY  35 -23.074  -1.394  -1.182
  275    HA2  GLY  35           HA3      GLY  35 -24.715  -3.291  -2.461
  276    HA3  GLY  35           HA2      GLY  35 -23.132  -3.281  -3.234
  277    H    GLY  36           H        GLY  36 -23.416  -2.394   0.081
  278    HA2  GLY  36           HA3      GLY  36 -22.281  -3.162   1.919
  279    HA3  GLY  36           HA2      GLY  36 -22.879  -4.749   1.440
  280    H    THR  37           H        THR  37 -20.698  -2.620  -0.279
  281    HA   THR  37           HA       THR  37 -18.452  -4.390   0.223
  282    HB   THR  37           HB       THR  37 -17.917  -4.051  -2.327
  283    HG1  THR  37           HG1      THR  37 -19.712  -2.791  -2.842
  284   HG21  THR  37          HG21      THR  37 -18.984  -6.197  -2.843
  285   HG22  THR  37          HG22      THR  37 -19.978  -6.053  -1.393
  286   HG23  THR  37          HG23      THR  37 -18.230  -6.227  -1.248
  287    H    SER  38           H        SER  38 -16.444  -3.253  -0.846
  288    HA   SER  38           HA       SER  38 -16.769  -0.344  -0.753
  289    HB2  SER  38           HB2      SER  38 -14.509  -0.259   0.262
  290    HB3  SER  38           HB3      SER  38 -15.656  -1.138   1.273
  291    HG   SER  38           HG       SER  38 -13.350  -1.980   0.223
  292    H    ASP  39           H        ASP  39 -14.989   0.799  -1.937
  293    HA   ASP  39           HA       ASP  39 -13.957  -0.753  -4.215
  294    HB2  ASP  39           HB2      ASP  39 -14.862   2.127  -4.013
  295    HB3  ASP  39           HB3      ASP  39 -13.786   1.594  -5.294
  296    HA   PRO  40           HA       PRO  40 -10.626   0.679  -1.282
  297    HB2  PRO  40           HB2      PRO  40  -9.093  -1.614  -1.739
  298    HB3  PRO  40           HB3      PRO  40 -10.131  -1.300  -0.350
  299    HG2  PRO  40           HG2      PRO  40 -10.597  -3.012  -2.696
  300    HG3  PRO  40           HG3      PRO  40 -11.316  -3.093  -1.082
  301    HD2  PRO  40           HD2      PRO  40 -12.602  -2.196  -3.337
  302    HD3  PRO  40           HD3      PRO  40 -13.060  -1.803  -1.669
  303    H    TYR  41           H        TYR  41  -8.572   1.358  -1.641
  304    HA   TYR  41           HA       TYR  41  -7.181   1.021  -4.100
  305    HB2  TYR  41           HB2      TYR  41  -8.174   2.814  -5.096
  306    HB3  TYR  41           HB3      TYR  41  -8.917   3.341  -3.599
  307    HD1  TYR  41           HD2      TYR  41  -7.448   4.689  -1.968
  308    HD2  TYR  41           HD1      TYR  41  -6.411   4.017  -6.035
  309    HE1  TYR  41           HE2      TYR  41  -5.920   6.607  -1.885
  310    HE2  TYR  41           HE1      TYR  41  -4.892   5.946  -5.969
  311    HH   TYR  41           HH       TYR  41  -4.619   8.026  -4.669
  312    H    VAL  42           H        VAL  42  -5.037   1.227  -3.640
  313    HA   VAL  42           HA       VAL  42  -4.356   1.966  -0.891
  314    HB   VAL  42           HB       VAL  42  -2.525   0.657  -2.899
  315   HG11  VAL  42          HG11      VAL  42  -1.355  -0.122  -0.898
  316   HG12  VAL  42          HG12      VAL  42  -1.451   1.638  -0.963
  317   HG13  VAL  42          HG13      VAL  42  -2.520   0.736   0.112
  318   HG21  VAL  42          HG21      VAL  42  -4.485  -0.761  -2.713
  319   HG22  VAL  42          HG22      VAL  42  -3.112  -1.508  -1.899
  320   HG23  VAL  42          HG23      VAL  42  -4.375  -0.719  -0.953
  321    H    LYS  43           H        LYS  43  -3.748   4.027  -0.665
  322    HA   LYS  43           HA       LYS  43  -2.417   5.368  -2.880
  323    HB2  LYS  43           HB2      LYS  43  -2.330   7.325  -1.224
  324    HB3  LYS  43           HB3      LYS  43  -3.896   6.852  -1.860
  325    HG2  LYS  43           HG2      LYS  43  -4.461   5.746   0.185
  326    HG3  LYS  43           HG3      LYS  43  -2.835   6.006   0.820
  327    HD2  LYS  43           HD2      LYS  43  -4.356   7.614   1.792
  328    HD3  LYS  43           HD3      LYS  43  -3.211   8.440   0.738
  329    HE2  LYS  43           HE2      LYS  43  -5.910   7.602  -0.267
  330    HE3  LYS  43           HE3      LYS  43  -5.715   9.092   0.649
  331    HZ1  LYS  43           HZ1      LYS  43  -4.049   9.796  -1.018
  332    HZ2  LYS  43           HZ2      LYS  43  -5.601   9.590  -1.667
  333    HZ3  LYS  43           HZ3      LYS  43  -4.412   8.414  -1.937
  334    H    VAL  44           H        VAL  44  -0.368   5.175  -3.171
  335    HA   VAL  44           HA       VAL  44   1.326   4.334  -0.930
  336    HB   VAL  44           HB       VAL  44   1.555   3.946  -3.911
  337   HG11  VAL  44          HG11      VAL  44   3.769   4.482  -3.098
  338   HG12  VAL  44          HG12      VAL  44   3.611   3.285  -1.813
  339   HG13  VAL  44          HG13      VAL  44   3.663   2.769  -3.499
  340   HG21  VAL  44          HG21      VAL  44   1.557   1.561  -3.287
  341   HG22  VAL  44          HG22      VAL  44   1.340   2.024  -1.599
  342   HG23  VAL  44          HG23      VAL  44   0.087   2.394  -2.783
  343    H    PHE  45           H        PHE  45   2.577   5.854  -0.088
  344    HA   PHE  45           HA       PHE  45   3.777   7.869  -1.815
  345    HB2  PHE  45           HB2      PHE  45   2.012   8.551   0.552
  346    HB3  PHE  45           HB3      PHE  45   3.052   9.700  -0.278
  347    HD1  PHE  45           HD1      PHE  45   2.629   9.962  -2.840
  348    HD2  PHE  45           HD2      PHE  45  -0.184   8.328  -0.097
  349    HE1  PHE  45           HE1      PHE  45   0.808  10.478  -4.407
  350    HE2  PHE  45           HE2      PHE  45  -2.011   8.841  -1.665
  351    HZ   PHE  45           HZ       PHE  45  -1.517   9.917  -3.821
  352    H    LEU  46           H        LEU  46   5.191   9.314  -0.456
  353    HA   LEU  46           HA       LEU  46   6.447   7.843   1.760
  354    HB2  LEU  46           HB2      LEU  46   7.730   9.776  -0.174
  355    HB3  LEU  46           HB3      LEU  46   8.546   8.957   1.143
  356    HG   LEU  46           HG       LEU  46   7.347   7.622  -1.283
  357   HD11  LEU  46          HD11      LEU  46   9.662   7.154  -1.890
  358   HD12  LEU  46          HD12      LEU  46   9.368   8.890  -1.795
  359   HD13  LEU  46          HD13      LEU  46  10.219   8.066  -0.489
  360   HD21  LEU  46          HD21      LEU  46   8.921   6.480   1.017
  361   HD22  LEU  46          HD22      LEU  46   7.207   6.214   0.696
  362   HD23  LEU  46          HD23      LEU  46   8.420   5.600  -0.427
  363    H    LEU  47           H        LEU  47   6.829   9.007   3.655
  364    HA   LEU  47           HA       LEU  47   5.503  11.565   3.841
  365    HB2  LEU  47           HB2      LEU  47   6.978   9.866   5.845
  366    HB3  LEU  47           HB3      LEU  47   6.336  11.447   6.243
  367    HG   LEU  47           HG       LEU  47   4.755   9.021   5.400
  368   HD11  LEU  47          HD11      LEU  47   3.794   9.211   7.645
  369   HD12  LEU  47          HD12      LEU  47   5.536   8.945   7.698
  370   HD13  LEU  47          HD13      LEU  47   4.880  10.557   7.992
  371   HD21  LEU  47          HD21      LEU  47   3.773  11.799   6.058
  372   HD22  LEU  47          HD22      LEU  47   3.793  11.068   4.452
  373   HD23  LEU  47          HD23      LEU  47   2.768  10.390   5.718
  374    HA   PRO  48           HA       PRO  48   7.439  15.216   3.912
  375    HB2  PRO  48           HB2      PRO  48   9.821  14.156   5.389
  376    HB3  PRO  48           HB3      PRO  48   9.192  15.813   5.343
  377    HG2  PRO  48           HG2      PRO  48   8.407  13.858   7.180
  378    HG3  PRO  48           HG3      PRO  48   7.494  15.329   6.798
  379    HD2  PRO  48           HD2      PRO  48   6.612  12.706   6.324
  380    HD3  PRO  48           HD3      PRO  48   5.955  14.162   5.539
  381    H    ASP  49           H        ASP  49   9.358  12.511   2.695
  382    HA   ASP  49           HA       ASP  49  10.813  14.286   0.926
  383    HB2  ASP  49           HB2      ASP  49  12.009  12.332   1.511
  384    HB3  ASP  49           HB3      ASP  49  10.619  11.294   1.211
  385    H    LYS  50           H        LYS  50   8.718  11.495   0.160
  386    HA   LYS  50           HA       LYS  50   6.870  11.259  -1.100
  387    HB2  LYS  50           HB2      LYS  50   6.871  14.124  -0.491
  388    HB3  LYS  50           HB3      LYS  50   6.126  13.756  -2.042
  389    HG2  LYS  50           HG2      LYS  50   5.367  12.603   0.632
  390    HG3  LYS  50           HG3      LYS  50   4.450  13.782  -0.321
  391    HD2  LYS  50           HD2      LYS  50   5.219  11.081  -1.362
  392    HD3  LYS  50           HD3      LYS  50   3.707  11.357  -0.479
  393    HE2  LYS  50           HE2      LYS  50   4.549  12.759  -3.023
  394    HE3  LYS  50           HE3      LYS  50   3.365  11.460  -2.912
  395    HZ1  LYS  50           HZ1      LYS  50   3.132  14.150  -1.668
  396    HZ2  LYS  50           HZ2      LYS  50   2.005  12.895  -1.487
  397    HZ3  LYS  50           HZ3      LYS  50   2.259  13.590  -3.012
  398    H    LYS  51           H        LYS  51   9.249  10.765  -2.291
  399    HA   LYS  51           HA       LYS  51   9.020  12.050  -4.897
  400    HB2  LYS  51           HB2      LYS  51  11.136  11.138  -5.320
  401    HB3  LYS  51           HB3      LYS  51  11.150  11.570  -3.609
  402    HG2  LYS  51           HG2      LYS  51  10.684   9.203  -3.057
  403    HG3  LYS  51           HG3      LYS  51  10.876   8.809  -4.769
  404    HD2  LYS  51           HD2      LYS  51  12.956  10.108  -3.008
  405    HD3  LYS  51           HD3      LYS  51  12.955   8.423  -3.534
  406    HE2  LYS  51           HE2      LYS  51  13.377   8.998  -5.760
  407    HE3  LYS  51           HE3      LYS  51  12.878  10.670  -5.517
  408    HZ1  LYS  51           HZ1      LYS  51  15.312   9.441  -4.340
  409    HZ2  LYS  51           HZ2      LYS  51  14.844  11.060  -4.209
  410    HZ3  LYS  51           HZ3      LYS  51  15.289  10.426  -5.717
  411    H    LYS  52           H        LYS  52   6.917  10.316  -3.733
  412    HA   LYS  52           HA       LYS  52   6.727   8.457  -5.947
  413    HB2  LYS  52           HB2      LYS  52   7.813   7.207  -4.121
  414    HB3  LYS  52           HB3      LYS  52   6.423   7.532  -3.094
  415    HG2  LYS  52           HG2      LYS  52   6.550   5.266  -4.248
  416    HG3  LYS  52           HG3      LYS  52   5.024   6.148  -4.335
  417    HD2  LYS  52           HD2      LYS  52   5.596   5.194  -6.504
  418    HD3  LYS  52           HD3      LYS  52   5.620   6.955  -6.572
  419    HE2  LYS  52           HE2      LYS  52   8.234   5.978  -5.860
  420    HE3  LYS  52           HE3      LYS  52   7.656   5.156  -7.318
  421    HZ1  LYS  52           HZ1      LYS  52   7.028   7.594  -8.007
  422    HZ2  LYS  52           HZ2      LYS  52   8.594   7.000  -8.236
  423    HZ3  LYS  52           HZ3      LYS  52   8.259   8.001  -6.913
  424    H    LYS  53           H        LYS  53   4.969   9.879  -6.669
  425    HA   LYS  53           HA       LYS  53   2.520   9.460  -5.155
  426    HB2  LYS  53           HB2      LYS  53   3.053  10.735  -7.837
  427    HB3  LYS  53           HB3      LYS  53   1.429  10.475  -7.213
  428    HG2  LYS  53           HG2      LYS  53   2.023  11.835  -5.233
  429    HG3  LYS  53           HG3      LYS  53   3.589  12.164  -5.974
  430    HD2  LYS  53           HD2      LYS  53   0.932  12.842  -7.227
  431    HD3  LYS  53           HD3      LYS  53   1.913  13.977  -6.298
  432    HE2  LYS  53           HE2      LYS  53   3.756  13.641  -7.914
  433    HE3  LYS  53           HE3      LYS  53   2.700  12.590  -8.859
  434    HZ1  LYS  53           HZ1      LYS  53   2.785  14.893  -9.690
  435    HZ2  LYS  53           HZ2      LYS  53   2.114  15.431  -8.229
  436    HZ3  LYS  53           HZ3      LYS  53   1.217  14.414  -9.251
  437    H    PHE  54           H        PHE  54   2.070   7.280  -5.074
  438    HA   PHE  54           HA       PHE  54   1.850   5.924  -7.664
  439    HB2  PHE  54           HB2      PHE  54   3.329   4.868  -5.931
  440    HB3  PHE  54           HB3      PHE  54   1.894   4.620  -4.941
  441    HD1  PHE  54           HD1      PHE  54   3.525   3.705  -8.126
  442    HD2  PHE  54           HD2      PHE  54   0.423   2.822  -5.351
  443    HE1  PHE  54           HE1      PHE  54   3.111   1.573  -9.273
  444    HE2  PHE  54           HE2      PHE  54   0.005   0.683  -6.496
  445    HZ   PHE  54           HZ       PHE  54   1.320   0.079  -8.488
  446    H    GLU  55           H        GLU  55  -0.055   4.408  -7.878
  447    HA   GLU  55           HA       GLU  55  -2.390   5.212  -6.379
  448    HB2  GLU  55           HB2      GLU  55  -2.091   7.054  -8.015
  449    HB3  GLU  55           HB3      GLU  55  -2.187   5.879  -9.319
  450    HG2  GLU  55           HG2      GLU  55  -4.465   5.324  -8.660
  451    HG3  GLU  55           HG3      GLU  55  -4.368   6.484  -7.336
  452    H    THR  56           H        THR  56  -3.428   3.364  -6.079
  453    HA   THR  56           HA       THR  56  -3.183   1.111  -7.833
  454    HB   THR  56           HB       THR  56  -5.051   0.259  -6.242
  455    HG1  THR  56           HG1      THR  56  -5.600   2.471  -5.663
  456   HG21  THR  56          HG21      THR  56  -3.444  -0.087  -4.424
  457   HG22  THR  56          HG22      THR  56  -2.399   1.167  -5.095
  458   HG23  THR  56          HG23      THR  56  -2.668  -0.330  -5.990
  459    H    LYS  57           H        LYS  57  -4.846   0.186  -9.062
  460    HA   LYS  57           HA       LYS  57  -6.839   1.878 -10.180
  461    HB2  LYS  57           HB2      LYS  57  -5.846  -0.221 -11.220
  462    HB3  LYS  57           HB3      LYS  57  -6.849  -1.146 -10.112
  463    HG2  LYS  57           HG2      LYS  57  -8.853  -0.174 -11.092
  464    HG3  LYS  57           HG3      LYS  57  -7.858   0.791 -12.185
  465    HD2  LYS  57           HD2      LYS  57  -7.995  -2.224 -12.088
  466    HD3  LYS  57           HD3      LYS  57  -8.698  -1.184 -13.329
  467    HE2  LYS  57           HE2      LYS  57  -6.473  -0.398 -13.945
  468    HE3  LYS  57           HE3      LYS  57  -5.758  -1.408 -12.689
  469    HZ1  LYS  57           HZ1      LYS  57  -7.188  -2.311 -15.125
  470    HZ2  LYS  57           HZ2      LYS  57  -6.737  -3.352 -13.864
  471    HZ3  LYS  57           HZ3      LYS  57  -5.545  -2.532 -14.753
  472    H    VAL  58           H        VAL  58  -9.146   1.773  -9.783
  473    HA   VAL  58           HA       VAL  58  -9.731   1.379  -6.998
  474    HB   VAL  58           HB       VAL  58 -10.759   3.255  -8.178
  475   HG11  VAL  58          HG11      VAL  58 -10.982   2.348 -10.397
  476   HG12  VAL  58          HG12      VAL  58 -12.163   1.166  -9.833
  477   HG13  VAL  58          HG13      VAL  58 -12.562   2.883  -9.822
  478   HG21  VAL  58          HG21      VAL  58 -11.937   2.369  -6.261
  479   HG22  VAL  58          HG22      VAL  58 -13.088   2.929  -7.473
  480   HG23  VAL  58          HG23      VAL  58 -12.776   1.204  -7.285
  481    H    HIS  59           H        HIS  59 -10.663  -0.359  -6.060
  482    HA   HIS  59           HA       HIS  59 -11.055  -2.659  -7.864
  483    HB2  HIS  59           HB2      HIS  59 -10.546  -2.715  -4.880
  484    HB3  HIS  59           HB3      HIS  59 -10.485  -4.075  -5.992
  485    HD1  HIS  59           HD1      HIS  59  -8.460  -1.345  -4.580
  486    HD2  HIS  59           HD2      HIS  59  -8.137  -4.066  -7.703
  487    HE1  HIS  59           HE1      HIS  59  -6.024  -1.363  -5.207
  488    HE2  HIS  59           HE2      HIS  59  -5.889  -2.842  -7.233
  489    H    ARG  60           H        ARG  60 -13.180  -2.251  -8.384
  490    HA   ARG  60           HA       ARG  60 -14.941  -1.185  -6.431
  491    HB2  ARG  60           HB2      ARG  60 -16.629  -1.345  -8.346
  492    HB3  ARG  60           HB3      ARG  60 -15.255  -0.271  -8.525
  493    HG2  ARG  60           HG2      ARG  60 -15.455  -1.304 -10.594
  494    HG3  ARG  60           HG3      ARG  60 -14.146  -2.182  -9.805
  495    HD2  ARG  60           HD2      ARG  60 -15.670  -3.978  -9.228
  496    HD3  ARG  60           HD3      ARG  60 -17.023  -3.080  -9.915
  497    HE   ARG  60           HE       ARG  60 -15.029  -3.422 -11.880
  498   HH11  ARG  60          HH12      ARG  60 -17.359  -5.312 -10.064
  499   HH12  ARG  60          HH11      ARG  60 -17.634  -6.440 -11.354
  500   HH21  ARG  60          HH22      ARG  60 -15.359  -4.925 -13.554
  501   HH22  ARG  60          HH21      ARG  60 -16.497  -6.225 -13.340
  502    H    LYS  61           H        LYS  61 -16.237  -2.113  -5.121
  503    HA   LYS  61           HA       LYS  61 -18.049  -3.246  -4.407
  504    HB2  LYS  61           HB2      LYS  61 -18.051  -4.864  -6.955
  505    HB3  LYS  61           HB3      LYS  61 -19.399  -4.518  -5.875
  506    HG2  LYS  61           HG2      LYS  61 -18.006  -2.340  -7.393
  507    HG3  LYS  61           HG3      LYS  61 -19.306  -3.291  -8.110
  508    HD2  LYS  61           HD2      LYS  61 -20.893  -2.454  -6.654
  509    HD3  LYS  61           HD3      LYS  61 -19.689  -1.995  -5.445
  510    HE2  LYS  61           HE2      LYS  61 -19.760  -0.688  -8.143
  511    HE3  LYS  61           HE3      LYS  61 -20.812  -0.140  -6.836
  512    HZ1  LYS  61           HZ1      LYS  61 -19.013   0.511  -5.551
  513    HZ2  LYS  61           HZ2      LYS  61 -18.554   0.992  -7.108
  514    HZ3  LYS  61           HZ3      LYS  61 -17.896  -0.410  -6.423
  515    H    THR  62           H        THR  62 -15.577  -3.953  -3.630
  516    HA   THR  62           HA       THR  62 -16.098  -6.680  -2.803
  517    HB   THR  62           HB       THR  62 -14.043  -7.627  -3.380
  518    HG1  THR  62           HG1      THR  62 -13.187  -5.058  -3.414
  519   HG21  THR  62          HG21      THR  62 -14.742  -5.986  -5.797
  520   HG22  THR  62          HG22      THR  62 -15.476  -7.528  -5.355
  521   HG23  THR  62          HG23      THR  62 -13.767  -7.456  -5.792
  522    H    LEU  63           H        LEU  63 -15.630  -6.821  -0.678
  523    HA   LEU  63           HA       LEU  63 -14.073  -4.778   0.657
  524    HB2  LEU  63           HB2      LEU  63 -15.102  -7.420   1.716
  525    HB3  LEU  63           HB3      LEU  63 -14.344  -6.179   2.684
  526    HG   LEU  63           HG       LEU  63 -16.584  -5.889   3.138
  527   HD11  LEU  63          HD11      LEU  63 -15.574  -3.787   2.544
  528   HD12  LEU  63          HD12      LEU  63 -15.987  -4.037   0.847
  529   HD13  LEU  63          HD13      LEU  63 -17.264  -3.808   2.041
  530   HD21  LEU  63          HD21      LEU  63 -17.281  -6.123   0.220
  531   HD22  LEU  63          HD22      LEU  63 -17.371  -7.456   1.373
  532   HD23  LEU  63          HD23      LEU  63 -18.390  -6.033   1.587
  533    H    ASN  64           H        ASN  64 -13.311  -7.504  -1.111
  534    HA   ASN  64           HA       ASN  64 -10.722  -7.801   0.188
  535    HB2  ASN  64           HB2      ASN  64 -12.490  -9.485   1.092
  536    HB3  ASN  64           HB3      ASN  64 -12.295 -10.277  -0.466
  537   HD21  ASN  64          HD21      ASN  64  -9.450  -9.752  -0.729
  538   HD22  ASN  64          HD22      ASN  64  -8.672 -10.763   0.428
  539    HA   PRO  65           HA       PRO  65 -10.630  -8.001  -4.369
  540    HB2  PRO  65           HB2      PRO  65  -9.168  -5.689  -4.668
  541    HB3  PRO  65           HB3      PRO  65 -10.932  -5.752  -4.620
  542    HG2  PRO  65           HG2      PRO  65  -9.161  -4.576  -2.687
  543    HG3  PRO  65           HG3      PRO  65 -10.924  -4.656  -2.644
  544    HD2  PRO  65           HD2      PRO  65  -8.959  -6.347  -1.276
  545    HD3  PRO  65           HD3      PRO  65 -10.653  -6.005  -0.867
  546    H    VAL  66           H        VAL  66  -8.971  -8.711  -5.684
  547    HA   VAL  66           HA       VAL  66  -6.289  -8.568  -4.512
  548    HB   VAL  66           HB       VAL  66  -5.704 -10.753  -4.998
  549   HG11  VAL  66          HG11      VAL  66  -8.632 -10.887  -4.270
  550   HG12  VAL  66          HG12      VAL  66  -7.487 -12.221  -4.120
  551   HG13  VAL  66          HG13      VAL  66  -7.261 -10.754  -3.167
  552   HG21  VAL  66          HG21      VAL  66  -8.102 -11.012  -6.835
  553   HG22  VAL  66          HG22      VAL  66  -6.413 -10.882  -7.326
  554   HG23  VAL  66          HG23      VAL  66  -6.969 -12.307  -6.446
  555    H    PHE  67           H        PHE  67  -5.227  -7.200  -5.647
  556    HA   PHE  67           HA       PHE  67  -5.813  -6.938  -8.465
  557    HB2  PHE  67           HB2      PHE  67  -5.557  -4.893  -6.998
  558    HB3  PHE  67           HB3      PHE  67  -3.827  -5.247  -6.970
  559    HD1  PHE  67           HD1      PHE  67  -2.513  -5.169  -9.046
  560    HD2  PHE  67           HD2      PHE  67  -6.594  -3.981  -8.957
  561    HE1  PHE  67           HE1      PHE  67  -2.215  -3.990 -11.182
  562    HE2  PHE  67           HE2      PHE  67  -6.306  -2.808 -11.098
  563    HZ   PHE  67           HZ       PHE  67  -4.176  -2.900 -12.268
  564    H    ASN  68           H        ASN  68  -3.181  -7.988  -6.360
  565    HA   ASN  68           HA       ASN  68  -1.016  -8.547  -6.775
  566    HB2  ASN  68           HB2      ASN  68  -2.066  -9.067  -9.574
  567    HB3  ASN  68           HB3      ASN  68  -0.393  -9.341  -9.109
  568   HD21  ASN  68          HD21      ASN  68  -3.681 -10.401  -8.745
  569   HD22  ASN  68          HD22      ASN  68  -3.312 -11.954  -8.078
  570    H    GLU  69           H        GLU  69  -0.744  -6.329  -6.293
  571    HA   GLU  69           HA       GLU  69  -0.121  -4.625  -8.604
  572    HB2  GLU  69           HB2      GLU  69  -2.280  -4.118  -7.174
  573    HB3  GLU  69           HB3      GLU  69  -1.132  -3.479  -6.011
  574    HG2  GLU  69           HG2      GLU  69  -0.681  -1.631  -7.263
  575    HG3  GLU  69           HG3      GLU  69  -0.846  -2.508  -8.787
  576    H    GLN  70           H        GLN  70   1.949  -4.305  -8.635
  577    HA   GLN  70           HA       GLN  70   3.607  -4.434  -6.301
  578    HB2  GLN  70           HB2      GLN  70   4.177  -5.144  -8.736
  579    HB3  GLN  70           HB3      GLN  70   4.406  -3.427  -9.033
  580    HG2  GLN  70           HG2      GLN  70   5.849  -4.771  -6.799
  581    HG3  GLN  70           HG3      GLN  70   6.423  -4.932  -8.452
  582   HE21  GLN  70          HE21      GLN  70   5.855  -2.700  -5.827
  583   HE22  GLN  70          HE22      GLN  70   6.923  -1.477  -6.399
  584    H    PHE  71           H        PHE  71   3.605  -2.752  -4.924
  585    HA   PHE  71           HA       PHE  71   2.963  -0.113  -5.977
  586    HB2  PHE  71           HB2      PHE  71   3.642  -0.781  -3.110
  587    HB3  PHE  71           HB3      PHE  71   2.701   0.579  -3.713
  588    HD1  PHE  71           HD1      PHE  71   0.454   0.079  -4.788
  589    HD2  PHE  71           HD2      PHE  71   2.587  -2.754  -2.439
  590    HE1  PHE  71           HE1      PHE  71  -1.626  -1.181  -4.430
  591    HE2  PHE  71           HE2      PHE  71   0.509  -4.022  -2.082
  592    HZ   PHE  71           HZ       PHE  71  -1.570  -3.282  -3.076
  593    H    THR  72           H        THR  72   4.602   0.671  -7.003
  594    HA   THR  72           HA       THR  72   7.311   0.194  -6.403
  595    HB   THR  72           HB       THR  72   6.141   2.315  -8.211
  596    HG1  THR  72           HG1      THR  72   6.627  -0.463  -8.612
  597   HG21  THR  72          HG21      THR  72   8.820   0.917  -8.208
  598   HG22  THR  72          HG22      THR  72   8.523   2.602  -7.779
  599   HG23  THR  72          HG23      THR  72   8.267   2.052  -9.436
  600    H    PHE  73           H        PHE  73   8.417   1.127  -4.842
  601    HA   PHE  73           HA       PHE  73   7.825   3.944  -4.214
  602    HB2  PHE  73           HB2      PHE  73   9.225   1.802  -2.577
  603    HB3  PHE  73           HB3      PHE  73   9.198   3.501  -2.132
  604    HD1  PHE  73           HD1      PHE  73   7.200   0.444  -2.460
  605    HD2  PHE  73           HD2      PHE  73   7.251   4.499  -1.174
  606    HE1  PHE  73           HE1      PHE  73   5.113   0.072  -1.217
  607    HE2  PHE  73           HE2      PHE  73   5.161   4.133   0.073
  608    HZ   PHE  73           HZ       PHE  73   4.091   1.915   0.052
  609    H    LYS  74           H        LYS  74   9.136   4.965  -5.760
  610    HA   LYS  74           HA       LYS  74  11.720   3.859  -6.328
  611    HB2  LYS  74           HB2      LYS  74  10.498   4.790  -8.201
  612    HB3  LYS  74           HB3      LYS  74  10.414   6.358  -7.406
  613    HG2  LYS  74           HG2      LYS  74  12.559   6.886  -7.908
  614    HG3  LYS  74           HG3      LYS  74  13.111   5.215  -7.828
  615    HD2  LYS  74           HD2      LYS  74  11.419   6.333 -10.058
  616    HD3  LYS  74           HD3      LYS  74  13.179   6.220 -10.111
  617    HE2  LYS  74           HE2      LYS  74  12.866   3.738  -9.615
  618    HE3  LYS  74           HE3      LYS  74  11.164   3.990  -9.997
  619    HZ1  LYS  74           HZ1      LYS  74  11.797   4.756 -12.195
  620    HZ2  LYS  74           HZ2      LYS  74  12.423   3.202 -11.909
  621    HZ3  LYS  74           HZ3      LYS  74  13.439   4.555 -11.819
  622    H    VAL  75           H        VAL  75  12.133   4.077  -4.041
  623    HA   VAL  75           HA       VAL  75  13.867   6.417  -3.714
  624    HB   VAL  75           HB       VAL  75  12.187   6.839  -2.112
  625   HG11  VAL  75          HG11      VAL  75  10.997   4.727  -2.265
  626   HG12  VAL  75          HG12      VAL  75  12.285   3.916  -1.373
  627   HG13  VAL  75          HG13      VAL  75  11.296   5.140  -0.577
  628   HG21  VAL  75          HG21      VAL  75  14.341   5.285  -0.685
  629   HG22  VAL  75          HG22      VAL  75  14.433   6.977  -1.176
  630   HG23  VAL  75          HG23      VAL  75  13.268   6.477   0.050
  631    HA   PRO  76           HA       PRO  76  16.842   3.007  -3.527
  632    HB2  PRO  76           HB2      PRO  76  18.580   5.248  -2.624
  633    HB3  PRO  76           HB3      PRO  76  18.832   4.085  -3.934
  634    HG2  PRO  76           HG2      PRO  76  18.168   6.551  -4.548
  635    HG3  PRO  76           HG3      PRO  76  17.360   5.192  -5.376
  636    HD2  PRO  76           HD2      PRO  76  16.357   6.847  -3.063
  637    HD3  PRO  76           HD3      PRO  76  15.526   6.420  -4.579
  638    H    TYR  77           H        TYR  77  18.183   1.980  -1.893
  639    HA   TYR  77           HA       TYR  77  17.056   2.056   0.681
  640    HB2  TYR  77           HB2      TYR  77  18.976   0.596   1.345
  641    HB3  TYR  77           HB3      TYR  77  18.085   0.026  -0.057
  642    HD1  TYR  77           HD2      TYR  77  19.095   0.340  -2.348
  643    HD2  TYR  77           HD1      TYR  77  21.290   1.056   1.224
  644    HE1  TYR  77           HE2      TYR  77  21.197   0.219  -3.621
  645    HE2  TYR  77           HE1      TYR  77  23.394   0.943  -0.039
  646    HH   TYR  77           HH       TYR  77  23.514   1.038  -3.421
  647    H    SER  78           H        SER  78  20.036   3.500  -0.593
  648    HA   SER  78           HA       SER  78  21.011   4.592   1.792
  649    HB2  SER  78           HB2      SER  78  22.301   4.517  -0.309
  650    HB3  SER  78           HB3      SER  78  21.222   5.717  -1.015
  651    HG   SER  78           HG       SER  78  22.634   6.222   1.385
  652    H    GLU  79           H        GLU  79  18.473   5.619  -0.331
  653    HA   GLU  79           HA       GLU  79  18.167   8.208   0.932
  654    HB2  GLU  79           HB2      GLU  79  17.206   6.909  -1.542
  655    HB3  GLU  79           HB3      GLU  79  16.048   7.989  -0.762
  656    HG2  GLU  79           HG2      GLU  79  17.942   9.703  -0.741
  657    HG3  GLU  79           HG3      GLU  79  18.753   8.624  -1.880
  658    H    LEU  80           H        LEU  80  16.982   5.046   1.131
  659    HA   LEU  80           HA       LEU  80  14.343   5.451   1.956
  660    HB2  LEU  80           HB2      LEU  80  14.560   3.280   1.410
  661    HB3  LEU  80           HB3      LEU  80  16.263   3.245   1.812
  662    HG   LEU  80           HG       LEU  80  14.351   3.246   4.089
  663   HD11  LEU  80          HD11      LEU  80  13.276   1.700   2.542
  664   HD12  LEU  80          HD12      LEU  80  14.805   0.847   2.313
  665   HD13  LEU  80          HD13      LEU  80  14.011   0.827   3.888
  666   HD21  LEU  80          HD21      LEU  80  16.015   1.688   4.997
  667   HD22  LEU  80          HD22      LEU  80  16.895   1.740   3.469
  668   HD23  LEU  80          HD23      LEU  80  16.763   3.193   4.462
  669    H    GLY  81           H        GLY  81  17.373   5.409   3.696
  670    HA2  GLY  81           HA3      GLY  81  16.620   5.307   6.318
  671    HA3  GLY  81           HA2      GLY  81  17.899   6.349   5.704
  672    H    GLY  82           H        GLY  82  16.586   8.255   4.303
  673    HA2  GLY  82           HA3      GLY  82  15.482   9.921   6.336
  674    HA3  GLY  82           HA2      GLY  82  15.601  10.309   4.631
  675    H    LYS  83           H        LYS  83  13.986   7.623   4.288
  676    HA   LYS  83           HA       LYS  83  11.626   9.246   3.800
  677    HB2  LYS  83           HB2      LYS  83  12.751   6.742   2.692
  678    HB3  LYS  83           HB3      LYS  83  11.003   6.892   2.673
  679    HG2  LYS  83           HG2      LYS  83  12.038   7.610   0.574
  680    HG3  LYS  83           HG3      LYS  83  11.137   8.903   1.360
  681    HD2  LYS  83           HD2      LYS  83  13.049  10.082   1.904
  682    HD3  LYS  83           HD3      LYS  83  14.072   8.645   1.856
  683    HE2  LYS  83           HE2      LYS  83  14.091   8.608  -0.498
  684    HE3  LYS  83           HE3      LYS  83  12.751   9.747  -0.609
  685    HZ1  LYS  83           HZ1      LYS  83  14.113  11.520  -0.071
  686    HZ2  LYS  83           HZ2      LYS  83  15.118  10.576  -1.064
  687    HZ3  LYS  83           HZ3      LYS  83  15.315  10.542   0.624
  688    H    THR  84           H        THR  84   9.524   8.698   4.379
  689    HA   THR  84           HA       THR  84   9.320   6.580   6.446
  690    HB   THR  84           HB       THR  84   7.116   8.466   6.537
  691    HG1  THR  84           HG1      THR  84   9.381   9.494   5.960
  692   HG21  THR  84          HG21      THR  84   7.686   6.872   8.329
  693   HG22  THR  84          HG22      THR  84   7.694   8.536   8.916
  694   HG23  THR  84          HG23      THR  84   9.217   7.712   8.580
  695    H    LEU  85           H        LEU  85   8.269   4.930   5.665
  696    HA   LEU  85           HA       LEU  85   6.891   5.269   3.171
  697    HB2  LEU  85           HB2      LEU  85   8.138   3.423   2.902
  698    HB3  LEU  85           HB3      LEU  85   8.237   3.115   4.625
  699    HG   LEU  85           HG       LEU  85   5.598   2.596   3.806
  700   HD11  LEU  85          HD11      LEU  85   7.679   1.184   2.144
  701   HD12  LEU  85          HD12      LEU  85   5.965   0.779   2.209
  702   HD13  LEU  85          HD13      LEU  85   6.481   2.326   1.535
  703   HD21  LEU  85          HD21      LEU  85   7.863   0.826   4.659
  704   HD22  LEU  85          HD22      LEU  85   6.711   1.651   5.708
  705   HD23  LEU  85          HD23      LEU  85   6.159   0.365   4.632
  706    H    VAL  86           H        VAL  86   4.947   5.992   3.364
  707    HA   VAL  86           HA       VAL  86   3.108   4.475   5.100
  708    HB   VAL  86           HB       VAL  86   1.460   6.295   4.744
  709   HG11  VAL  86          HG11      VAL  86   2.834   6.186   6.756
  710   HG12  VAL  86          HG12      VAL  86   4.090   7.135   5.961
  711   HG13  VAL  86          HG13      VAL  86   2.518   7.858   6.296
  712   HG21  VAL  86          HG21      VAL  86   2.313   7.231   2.666
  713   HG22  VAL  86          HG22      VAL  86   2.270   8.474   3.916
  714   HG23  VAL  86          HG23      VAL  86   3.802   7.722   3.472
  715    H    MET  87           H        MET  87   1.501   3.341   4.308
  716    HA   MET  87           HA       MET  87   0.769   3.577   1.483
  717    HB2  MET  87           HB2      MET  87   2.505   1.833   1.634
  718    HB3  MET  87           HB3      MET  87   1.566   0.998   2.863
  719    HG2  MET  87           HG2      MET  87  -0.216   0.630   1.224
  720    HG3  MET  87           HG3      MET  87   0.768   1.429  -0.003
  721    HE1  MET  87           HE1      MET  87   2.199  -2.377   2.147
  722    HE2  MET  87           HE2      MET  87   2.307  -0.748   2.813
  723    HE3  MET  87           HE3      MET  87   0.731  -1.511   2.603
  724    H    ALA  88           H        ALA  88  -1.481   3.427   1.286
  725    HA   ALA  88           HA       ALA  88  -2.925   2.718   3.735
  726    HB1  ALA  88           HB1      ALA  88  -2.348   5.056   4.046
  727    HB2  ALA  88           HB2      ALA  88  -3.072   5.455   2.487
  728    HB3  ALA  88           HB3      ALA  88  -4.089   4.867   3.804
  729    H    VAL  89           H        VAL  89  -4.516   1.415   3.106
  730    HA   VAL  89           HA       VAL  89  -5.759   1.741   0.530
  731    HB   VAL  89           HB       VAL  89  -7.540   0.157   1.573
  732   HG11  VAL  89          HG11      VAL  89  -5.952  -0.535  -0.112
  733   HG12  VAL  89          HG12      VAL  89  -4.699  -0.732   1.114
  734   HG13  VAL  89          HG13      VAL  89  -6.112  -1.788   1.118
  735   HG21  VAL  89          HG21      VAL  89  -6.713  -1.221   3.408
  736   HG22  VAL  89          HG22      VAL  89  -5.285  -0.193   3.544
  737   HG23  VAL  89          HG23      VAL  89  -6.882   0.464   3.903
  738    H    TYR  90           H        TYR  90  -7.120   3.269   0.067
  739    HA   TYR  90           HA       TYR  90  -8.764   4.457   2.200
  740    HB2  TYR  90           HB2      TYR  90  -6.860   5.857   1.111
  741    HB3  TYR  90           HB3      TYR  90  -7.895   5.894  -0.310
  742    HD1  TYR  90           HD1      TYR  90  -7.508   7.006   3.163
  743    HD2  TYR  90           HD2      TYR  90  -9.888   7.254  -0.353
  744    HE1  TYR  90           HE1      TYR  90  -8.680   8.951   4.104
  745    HE2  TYR  90           HE2      TYR  90 -11.068   9.198   0.580
  746    HH   TYR  90           HH       TYR  90 -11.547  10.059   3.023
  747    H    ASP  91           H        ASP  91 -10.943   4.527   1.773
  748    HA   ASP  91           HA       ASP  91 -11.685   2.956  -0.580
  749    HB2  ASP  91           HB2      ASP  91 -12.292   2.457   1.910
  750    HB3  ASP  91           HB3      ASP  91 -13.640   3.550   1.564
  751    H    PHE  92           H        PHE  92 -12.605   3.829  -2.278
  752    HA   PHE  92           HA       PHE  92 -13.696   6.516  -2.132
  753    HB2  PHE  92           HB2      PHE  92 -13.254   4.588  -4.405
  754    HB3  PHE  92           HB3      PHE  92 -14.147   6.089  -4.615
  755    HD1  PHE  92           HD2      PHE  92 -12.982   8.266  -4.159
  756    HD2  PHE  92           HD1      PHE  92 -10.907   4.559  -4.396
  757    HE1  PHE  92           HE2      PHE  92 -10.872   9.476  -4.521
  758    HE2  PHE  92           HE1      PHE  92  -8.794   5.765  -4.758
  759    HZ   PHE  92           HZ       PHE  92  -8.773   8.223  -4.823
  760    H    ASP  93           H        ASP  93 -15.664   6.628  -1.185
  761    HA   ASP  93           HA       ASP  93 -17.612   4.533  -1.717
  762    HB2  ASP  93           HB2      ASP  93 -19.010   5.731  -0.061
  763    HB3  ASP  93           HB3      ASP  93 -17.410   5.326   0.568
  764    H    ARG  94           H        ARG  94 -16.587   7.018  -3.364
  765    HA   ARG  94           HA       ARG  94 -17.264   7.964  -5.290
  766    HB2  ARG  94           HB2      ARG  94 -19.797   6.368  -5.235
  767    HB3  ARG  94           HB3      ARG  94 -18.832   6.858  -6.614
  768    HG2  ARG  94           HG2      ARG  94 -18.142   4.723  -4.604
  769    HG3  ARG  94           HG3      ARG  94 -18.654   4.480  -6.272
  770    HD2  ARG  94           HD2      ARG  94 -16.135   5.902  -5.425
  771    HD3  ARG  94           HD3      ARG  94 -16.217   4.219  -5.938
  772    HE   ARG  94           HE       ARG  94 -17.346   5.830  -7.942
  773   HH11  ARG  94          HH12      ARG  94 -14.257   5.067  -6.497
  774   HH12  ARG  94          HH11      ARG  94 -13.331   5.501  -7.903
  775   HH21  ARG  94          HH22      ARG  94 -16.146   6.379  -9.813
  776   HH22  ARG  94          HH21      ARG  94 -14.414   6.225  -9.803
  777    H    PHE  95           H        PHE  95 -18.896   8.677  -2.470
  778    HA   PHE  95           HA       PHE  95 -20.387  10.791  -3.802
  779    HB2  PHE  95           HB2      PHE  95 -21.873   8.761  -3.818
  780    HB3  PHE  95           HB3      PHE  95 -21.884   8.835  -2.058
  781    HD1  PHE  95           HD1      PHE  95 -22.748  10.768  -5.107
  782    HD2  PHE  95           HD2      PHE  95 -23.367  10.221  -0.933
  783    HE1  PHE  95           HE1      PHE  95 -24.622  12.358  -5.182
  784    HE2  PHE  95           HE2      PHE  95 -25.244  11.809  -1.000
  785    HZ   PHE  95           HZ       PHE  95 -25.868  12.882  -3.167
  786    H    SER  96           H        SER  96 -20.309   9.178  -0.618
  787    HA   SER  96           HA       SER  96 -20.680  11.719   0.712
  788    HB2  SER  96           HB2      SER  96 -20.716  10.269   2.770
  789    HB3  SER  96           HB3      SER  96 -21.908   9.824   1.554
  790    HG   SER  96           HG       SER  96 -19.539   8.531   1.162
  791    H    LYS  97           H        LYS  97 -19.191  11.447   3.051
  792    HA   LYS  97           HA       LYS  97 -16.571  12.115   2.260
  793    HB2  LYS  97           HB2      LYS  97 -15.974  12.127   4.596
  794    HB3  LYS  97           HB3      LYS  97 -17.572  12.839   4.434
  795    HG2  LYS  97           HG2      LYS  97 -18.623  10.945   5.355
  796    HG3  LYS  97           HG3      LYS  97 -17.174   9.952   5.171
  797    HD2  LYS  97           HD2      LYS  97 -16.031  11.403   6.830
  798    HD3  LYS  97           HD3      LYS  97 -17.542  12.283   7.059
  799    HE2  LYS  97           HE2      LYS  97 -18.628  10.284   7.875
  800    HE3  LYS  97           HE3      LYS  97 -17.188   9.326   7.534
  801    HZ1  LYS  97           HZ1      LYS  97 -15.978  10.609   9.186
  802    HZ2  LYS  97           HZ2      LYS  97 -17.347   9.900   9.886
  803    HZ3  LYS  97           HZ3      LYS  97 -17.350  11.551   9.503
  804    H    HIS  98           H        HIS  98 -14.997  10.855   1.611
  805    HA   HIS  98           HA       HIS  98 -15.255   8.052   1.586
  806    HB2  HIS  98           HB2      HIS  98 -12.789   9.718   1.054
  807    HB3  HIS  98           HB3      HIS  98 -13.019   8.032   0.600
  808    HD1  HIS  98           HD1      HIS  98 -16.143   8.896  -0.226
  809    HD2  HIS  98           HD2      HIS  98 -12.510  10.251  -1.750
  810    HE1  HIS  98           HE1      HIS  98 -16.656   9.800  -2.524
  811    HE2  HIS  98           HE2      HIS  98 -14.468  10.725  -3.381
  812    H    ASP  99           H        ASP  99 -15.061   6.793   3.204
  813    HA   ASP  99           HA       ASP  99 -13.467   7.563   5.518
  814    HB2  ASP  99           HB2      ASP  99 -15.736   6.607   5.835
  815    HB3  ASP  99           HB3      ASP  99 -15.168   5.091   5.138
  816    H    ILE 100           H        ILE 100 -11.468   6.875   5.890
  817    HA   ILE 100           HA       ILE 100 -10.138   5.171   4.091
  818    HB   ILE 100           HB       ILE 100  -9.034   6.958   5.406
  819   HG12  ILE 100          HG12      ILE 100  -7.893   4.202   5.866
  820   HG13  ILE 100          HG13      ILE 100  -7.807   5.114   4.365
  821   HG21  ILE 100          HG21      ILE 100 -10.142   6.653   7.546
  822   HG22  ILE 100          HG22      ILE 100  -9.363   5.084   7.743
  823   HG23  ILE 100          HG23      ILE 100  -8.391   6.555   7.730
  824   HD11  ILE 100          HD11      ILE 100  -5.721   5.241   5.602
  825   HD12  ILE 100          HD12      ILE 100  -6.479   6.830   5.480
  826   HD13  ILE 100          HD13      ILE 100  -6.576   5.920   6.988
  827    H    ILE 101           H        ILE 101 -10.090   3.070   4.006
  828    HA   ILE 101           HA       ILE 101 -11.344   1.440   5.980
  829    HB   ILE 101           HB       ILE 101 -10.529  -0.476   4.511
  830   HG12  ILE 101          HG12      ILE 101  -9.776   1.860   2.745
  831   HG13  ILE 101          HG13      ILE 101  -8.718   0.582   3.330
  832   HG21  ILE 101          HG21      ILE 101 -12.336   1.640   3.360
  833   HG22  ILE 101          HG22      ILE 101 -12.276  -0.048   2.848
  834   HG23  ILE 101          HG23      ILE 101 -12.796   0.359   4.483
  835   HD11  ILE 101          HD11      ILE 101  -9.938  -1.040   1.980
  836   HD12  ILE 101          HD12      ILE 101 -10.997   0.245   1.397
  837   HD13  ILE 101          HD13      ILE 101  -9.281   0.267   0.996
  838    H    GLY 102           H        GLY 102  -8.000   1.919   4.865
  839    HA2  GLY 102           HA3      GLY 102  -7.001   1.319   7.471
  840    HA3  GLY 102           HA2      GLY 102  -6.732  -0.013   6.360
  841    H    GLU 103           H        GLU 103  -4.488   0.674   7.122
  842    HA   GLU 103           HA       GLU 103  -3.129   2.285   5.212
  843    HB2  GLU 103           HB2      GLU 103  -2.535   4.161   6.531
  844    HB3  GLU 103           HB3      GLU 103  -4.278   4.002   6.733
  845    HG2  GLU 103           HG2      GLU 103  -4.008   2.981   8.872
  846    HG3  GLU 103           HG3      GLU 103  -2.262   2.864   8.635
  847    H    PHE 104           H        PHE 104  -0.806   2.438   5.826
  848    HA   PHE 104           HA       PHE 104  -0.022   0.938   8.204
  849    HB2  PHE 104           HB2      PHE 104  -0.060  -0.601   6.143
  850    HB3  PHE 104           HB3      PHE 104   1.292   0.352   5.543
  851    HD1  PHE 104           HD1      PHE 104   0.276  -1.410   8.675
  852    HD2  PHE 104           HD2      PHE 104   3.386  -0.469   5.928
  853    HE1  PHE 104           HE1      PHE 104   1.837  -2.809   9.967
  854    HE2  PHE 104           HE2      PHE 104   4.953  -1.866   7.212
  855    HZ   PHE 104           HZ       PHE 104   4.149  -3.078   9.228
  856    H    LYS 105           H        LYS 105   1.780   1.849   9.163
  857    HA   LYS 105           HA       LYS 105   3.328   3.809   7.607
  858    HB2  LYS 105           HB2      LYS 105   2.336   4.255  10.429
  859    HB3  LYS 105           HB3      LYS 105   3.403   5.324   9.539
  860    HG2  LYS 105           HG2      LYS 105   1.363   5.315   7.838
  861    HG3  LYS 105           HG3      LYS 105   0.478   4.952   9.327
  862    HD2  LYS 105           HD2      LYS 105   1.707   6.896  10.376
  863    HD3  LYS 105           HD3      LYS 105   2.261   7.306   8.753
  864    HE2  LYS 105           HE2      LYS 105   0.383   8.661   9.108
  865    HE3  LYS 105           HE3      LYS 105  -0.206   7.339   8.104
  866    HZ1  LYS 105           HZ1      LYS 105  -0.478   7.445  11.060
  867    HZ2  LYS 105           HZ2      LYS 105  -1.164   6.293  10.019
  868    HZ3  LYS 105           HZ3      LYS 105  -1.695   7.903   9.972
  869    H    VAL 106           H        VAL 106   5.379   3.166   7.617
  870    HA   VAL 106           HA       VAL 106   6.644   2.744  10.152
  871    HB   VAL 106           HB       VAL 106   6.041   0.445   9.793
  872   HG11  VAL 106          HG11      VAL 106   7.409   0.630   7.126
  873   HG12  VAL 106          HG12      VAL 106   6.769  -0.839   7.862
  874   HG13  VAL 106          HG13      VAL 106   5.675   0.464   7.400
  875   HG21  VAL 106          HG21      VAL 106   8.952   0.893   9.175
  876   HG22  VAL 106          HG22      VAL 106   8.215   0.844  10.777
  877   HG23  VAL 106          HG23      VAL 106   8.251  -0.608   9.777
  878    HA   PRO 107           HA       PRO 107   9.308   5.300   7.721
  879    HB2  PRO 107           HB2      PRO 107  11.361   5.436   9.538
  880    HB3  PRO 107           HB3      PRO 107   9.915   6.452   9.590
  881    HG2  PRO 107           HG2      PRO 107  10.555   3.987  11.131
  882    HG3  PRO 107           HG3      PRO 107   9.747   5.470  11.672
  883    HD2  PRO 107           HD2      PRO 107   8.402   3.211  11.079
  884    HD3  PRO 107           HD3      PRO 107   7.706   4.820  10.804
  885    H    MET 108           H        MET 108  10.854   4.853   6.325
  886    HA   MET 108           HA       MET 108  11.309   2.167   5.720
  887    HB2  MET 108           HB2      MET 108  12.539   4.687   4.630
  888    HB3  MET 108           HB3      MET 108  12.876   3.090   3.977
  889    HG2  MET 108           HG2      MET 108  10.368   2.859   3.675
  890    HG3  MET 108           HG3      MET 108  10.297   4.591   4.004
  891    HE1  MET 108           HE1      MET 108   8.963   4.153   1.481
  892    HE2  MET 108           HE2      MET 108   9.882   3.704   0.044
  893    HE3  MET 108           HE3      MET 108   9.642   2.531   1.337
  894    H    ASN 109           H        ASN 109  13.046   4.389   7.622
  895    HA   ASN 109           HA       ASN 109  15.622   3.224   7.374
  896    HB2  ASN 109           HB2      ASN 109  15.893   4.349   9.736
  897    HB3  ASN 109           HB3      ASN 109  15.770   5.339   8.286
  898   HD21  ASN 109          HD21      ASN 109  14.003   6.618   7.963
  899   HD22  ASN 109          HD22      ASN 109  12.801   6.882   9.192
  900    H    THR 110           H        THR 110  12.814   2.571   9.407
  901    HA   THR 110           HA       THR 110  14.315   0.471  10.764
  902    HB   THR 110           HB       THR 110  12.137   0.118  12.018
  903    HG1  THR 110           HG1      THR 110  11.265   1.864  10.181
  904   HG21  THR 110          HG21      THR 110  14.035   1.356  12.950
  905   HG22  THR 110          HG22      THR 110  12.500   2.059  13.458
  906   HG23  THR 110          HG23      THR 110  13.445   2.832  12.186
  907    H    VAL 111           H        VAL 111  11.884   0.802   8.232
  908    HA   VAL 111           HA       VAL 111  11.555  -2.098   8.220
  909    HB   VAL 111           HB       VAL 111   9.502  -0.833   7.965
  910   HG11  VAL 111          HG11      VAL 111  10.353   1.178   6.910
  911   HG12  VAL 111          HG12      VAL 111  10.708   0.273   5.438
  912   HG13  VAL 111          HG13      VAL 111   9.037   0.487   5.960
  913   HG21  VAL 111          HG21      VAL 111  10.304  -2.311   5.466
  914   HG22  VAL 111          HG22      VAL 111   9.600  -3.005   6.926
  915   HG23  VAL 111          HG23      VAL 111   8.647  -1.914   5.920
  916    H    ASP 112           H        ASP 112  13.014  -3.243   7.205
  917    HA   ASP 112           HA       ASP 112  14.591  -2.027   5.104
  918    HB2  ASP 112           HB2      ASP 112  15.711  -3.290   6.884
  919    HB3  ASP 112           HB3      ASP 112  14.840  -4.743   6.404
  920    H    PHE 113           H        PHE 113  13.608  -2.024   3.073
  921    HA   PHE 113           HA       PHE 113  12.649  -4.668   2.100
  922    HB2  PHE 113           HB2      PHE 113  12.797  -2.027   0.584
  923    HB3  PHE 113           HB3      PHE 113  11.925  -3.480   0.107
  924    HD1  PHE 113           HD2      PHE 113   9.947  -4.203   1.503
  925    HD2  PHE 113           HD1      PHE 113  11.788  -0.391   1.908
  926    HE1  PHE 113           HE2      PHE 113   7.928  -3.349   2.617
  927    HE2  PHE 113           HE1      PHE 113   9.773   0.470   3.025
  928    HZ   PHE 113           HZ       PHE 113   7.837  -1.011   3.377
  929    H    GLY 114           H        GLY 114  15.190  -4.295   2.965
  930    HA2  GLY 114           HA3      GLY 114  16.871  -4.965   0.697
  931    HA3  GLY 114           HA2      GLY 114  17.292  -5.074   2.416
  932    H    HIS 115           H        HIS 115  14.650  -6.122   2.885
  933    HA   HIS 115           HA       HIS 115  15.767  -8.775   3.131
  934    HB2  HIS 115           HB2      HIS 115  15.437  -7.238   5.126
  935    HB3  HIS 115           HB3      HIS 115  13.708  -7.435   4.886
  936    HD1  HIS 115           HD1      HIS 115  15.997 -10.384   4.475
  937    HD2  HIS 115           HD2      HIS 115  13.449  -8.749   7.331
  938    HE1  HIS 115           HE1      HIS 115  15.682 -12.174   6.216
  939    HE2  HIS 115           HE2      HIS 115  14.022 -11.213   7.855
  940    H    VAL 116           H        VAL 116  12.230  -7.784   3.535
  941    HA   VAL 116           HA       VAL 116  12.097 -10.546   2.640
  942    HB   VAL 116           HB       VAL 116   9.844 -10.524   3.905
  943   HG11  VAL 116          HG11      VAL 116  11.798 -11.815   4.564
  944   HG12  VAL 116          HG12      VAL 116  12.491 -10.391   5.339
  945   HG13  VAL 116          HG13      VAL 116  11.011 -11.108   5.975
  946   HG21  VAL 116          HG21      VAL 116   9.826  -8.962   5.805
  947   HG22  VAL 116          HG22      VAL 116  11.246  -8.154   5.141
  948   HG23  VAL 116          HG23      VAL 116   9.719  -8.120   4.259
  949    H    THR 117           H        THR 117  11.672 -10.664   0.781
  950    HA   THR 117           HA       THR 117   9.288 -10.530  -0.559
  951    HB   THR 117           HB       THR 117  11.013 -11.508  -1.771
  952    HG1  THR 117           HG1      THR 117  10.018 -13.913  -0.759
  953   HG21  THR 117          HG21      THR 117  12.576 -11.814   0.080
  954   HG22  THR 117          HG22      THR 117  12.507 -13.262  -0.924
  955   HG23  THR 117          HG23      THR 117  11.668 -13.223   0.627
  956    H    GLU 118           H        GLU 118   7.992 -12.885  -0.518
  957    HA   GLU 118           HA       GLU 118   6.393 -11.124   0.965
  958    HB2  GLU 118           HB2      GLU 118   4.595 -12.460  -0.224
  959    HB3  GLU 118           HB3      GLU 118   5.791 -11.674  -1.251
  960    HG2  GLU 118           HG2      GLU 118   7.027 -13.809  -1.397
  961    HG3  GLU 118           HG3      GLU 118   5.761 -14.576  -0.446
  962    H    GLU 119           H        GLU 119   5.193 -11.327   2.468
  963    HA   GLU 119           HA       GLU 119   4.546 -13.765   3.899
  964    HB2  GLU 119           HB2      GLU 119   6.008 -11.381   5.062
  965    HB3  GLU 119           HB3      GLU 119   5.409 -12.749   5.995
  966    HG2  GLU 119           HG2      GLU 119   7.034 -14.191   4.980
  967    HG3  GLU 119           HG3      GLU 119   7.516 -12.917   3.855
  968    H    TRP 120           H        TRP 120   2.910 -13.043   5.641
  969    HA   TRP 120           HA       TRP 120   1.143 -11.327   4.084
  970    HB2  TRP 120           HB2      TRP 120   0.362 -13.074   6.416
  971    HB3  TRP 120           HB3      TRP 120  -0.666 -12.461   5.121
  972    HD1  TRP 120           HD1      TRP 120  -0.009 -15.634   5.981
  973    HE1  TRP 120           HE1      TRP 120   0.655 -17.245   4.081
  974    HE3  TRP 120           HE3      TRP 120   1.423 -12.214   2.455
  975    HZ2  TRP 120           HZ2      TRP 120   1.655 -17.086   1.448
  976    HZ3  TRP 120           HZ3      TRP 120   2.232 -13.014   0.274
  977    HH2  TRP 120           HH2      TRP 120   2.342 -15.413  -0.215
  978    H    ARG 121           H        ARG 121   1.113  -9.287   4.579
  979    HA   ARG 121           HA       ARG 121   1.627  -8.498   7.357
  980    HB2  ARG 121           HB2      ARG 121   3.311  -8.032   5.420
  981    HB3  ARG 121           HB3      ARG 121   2.207  -6.729   5.015
  982    HG2  ARG 121           HG2      ARG 121   4.061  -5.976   6.427
  983    HG3  ARG 121           HG3      ARG 121   2.498  -5.762   7.220
  984    HD2  ARG 121           HD2      ARG 121   4.191  -6.667   8.757
  985    HD3  ARG 121           HD3      ARG 121   2.845  -7.780   8.519
  986    HE   ARG 121           HE       ARG 121   5.311  -8.146   6.956
  987   HH11  ARG 121          HH12      ARG 121   3.085  -9.306   9.402
  988   HH12  ARG 121          HH11      ARG 121   3.778 -10.896   9.465
  989   HH21  ARG 121          HH22      ARG 121   6.244 -10.219   7.057
  990   HH22  ARG 121          HH21      ARG 121   5.606 -11.409   8.159
  991    H    ASP 122           H        ASP 122   0.583  -6.443   8.029
  992    HA   ASP 122           HA       ASP 122  -2.210  -6.888   7.370
  993    HB2  ASP 122           HB2      ASP 122  -0.923  -5.580   9.787
  994    HB3  ASP 122           HB3      ASP 122  -2.650  -5.819   9.561
  995    H    LEU 123           H        LEU 123  -3.399  -5.355   6.545
  996    HA   LEU 123           HA       LEU 123  -2.458  -2.610   6.534
  997    HB2  LEU 123           HB2      LEU 123  -4.348  -4.138   4.990
  998    HB3  LEU 123           HB3      LEU 123  -5.157  -2.755   5.699
  999    HG   LEU 123           HG       LEU 123  -4.172  -1.306   4.294
 1000   HD11  LEU 123          HD11      LEU 123  -2.012  -1.449   5.406
 1001   HD12  LEU 123          HD12      LEU 123  -1.616  -2.896   4.473
 1002   HD13  LEU 123          HD13      LEU 123  -1.809  -1.345   3.657
 1003   HD21  LEU 123          HD21      LEU 123  -3.523  -2.249   2.135
 1004   HD22  LEU 123          HD22      LEU 123  -3.359  -3.846   2.869
 1005   HD23  LEU 123          HD23      LEU 123  -4.943  -3.073   2.780
 1006    H    GLN 124           H        GLN 124  -3.167  -1.169   8.049
 1007    HA   GLN 124           HA       GLN 124  -4.505  -2.453  10.298
 1008    HB2  GLN 124           HB2      GLN 124  -3.366  -0.859  11.760
 1009    HB3  GLN 124           HB3      GLN 124  -2.199  -1.723  10.771
 1010    HG2  GLN 124           HG2      GLN 124  -2.043   0.191   9.281
 1011    HG3  GLN 124           HG3      GLN 124  -3.212   1.060  10.268
 1012   HE21  GLN 124          HE21      GLN 124  -1.780   2.696  10.666
 1013   HE22  GLN 124          HE22      GLN 124  -0.412   2.521  11.719
 1014    H    SER 125           H        SER 125  -6.202  -1.394  11.299
 1015    HA   SER 125           HA       SER 125  -7.725   0.234   9.511
 1016    HB2  SER 125           HB2      SER 125  -8.791  -1.559  10.819
 1017    HB3  SER 125           HB3      SER 125  -8.409  -0.696  12.308
 1018    HG   SER 125           HG       SER 125  -9.985   0.396  10.205
 1019    H    ALA 126           H        ALA 126  -7.658   2.348   9.406
 1020    HA   ALA 126           HA       ALA 126  -6.796   3.862  11.753
 1021    HB1  ALA 126           HB1      ALA 126  -7.267   4.745   8.904
 1022    HB2  ALA 126           HB2      ALA 126  -6.681   5.774  10.210
 1023    HB3  ALA 126           HB3      ALA 126  -5.701   4.419   9.648
 1024    H    GLU 127           H        GLU 127  -8.128   5.249  12.790
 1025    HA   GLU 127           HA       GLU 127 -10.954   5.216  11.960
 1026    HB2  GLU 127           HB2      GLU 127 -10.077   4.088  14.176
 1027    HB3  GLU 127           HB3      GLU 127 -10.084   5.739  14.778
 1028    HG2  GLU 127           HG2      GLU 127 -12.529   4.710  13.444
 1029    HG3  GLU 127           HG3      GLU 127 -12.151   4.146  15.069
 1030    H    LYS 128           H        LYS 128 -10.791   7.028  10.693
 1031    HA   LYS 128           HA       LYS 128  -9.888   9.515  11.996
 1032    HB2  LYS 128           HB2      LYS 128  -8.229   8.619  10.392
 1033    HB3  LYS 128           HB3      LYS 128  -9.449   8.644   9.131
 1034    HG2  LYS 128           HG2      LYS 128  -9.606  11.169   9.685
 1035    HG3  LYS 128           HG3      LYS 128  -8.027  10.922  10.430
 1036    HD2  LYS 128           HD2      LYS 128  -7.738  11.655   8.142
 1037    HD3  LYS 128           HD3      LYS 128  -7.212   9.975   8.291
 1038    HE2  LYS 128           HE2      LYS 128  -8.580  10.440   6.258
 1039    HE3  LYS 128           HE3      LYS 128  -9.244   9.180   7.298
 1040    HZ1  LYS 128           HZ1      LYS 128 -10.132  12.020   7.278
 1041    HZ2  LYS 128           HZ2      LYS 128 -10.811  10.760   8.194
 1042    HZ3  LYS 128           HZ3      LYS 128 -10.937  10.746   6.502
  Start of MODEL    4
    1    H1   GLU   1           H1       GLU   1 -12.344  -0.532  13.033
    2    H2   GLU   1           H2       GLU   1 -11.200   0.522  13.696
    3    H3   GLU   1           H3       GLU   1 -11.196  -1.115  14.137
    4    HA   GLU   1           HA       GLU   1 -10.653  -0.065  11.421
    5    HB2  GLU   1           HB2      GLU   1  -8.803  -1.075  13.591
    6    HB3  GLU   1           HB3      GLU   1  -8.345  -1.022  11.899
    7    HG2  GLU   1           HG2      GLU   1  -7.515   0.844  13.244
    8    HG3  GLU   1           HG3      GLU   1  -8.428   1.290  11.798
    9    H    LYS   2           H        LYS   2 -10.433  -1.595   9.820
   10    HA   LYS   2           HA       LYS   2 -10.706  -4.421  10.599
   11    HB2  LYS   2           HB2      LYS   2 -11.714  -3.109   8.075
   12    HB3  LYS   2           HB3      LYS   2 -11.972  -4.782   8.563
   13    HG2  LYS   2           HG2      LYS   2 -13.061  -2.321   9.895
   14    HG3  LYS   2           HG3      LYS   2 -13.976  -3.527   8.972
   15    HD2  LYS   2           HD2      LYS   2 -13.565  -5.204  10.604
   16    HD3  LYS   2           HD3      LYS   2 -12.360  -4.189  11.409
   17    HE2  LYS   2           HE2      LYS   2 -14.024  -2.684  12.165
   18    HE3  LYS   2           HE3      LYS   2 -15.276  -3.469  11.197
   19    HZ1  LYS   2           HZ1      LYS   2 -13.897  -4.527  13.608
   20    HZ2  LYS   2           HZ2      LYS   2 -14.837  -5.502  12.583
   21    HZ3  LYS   2           HZ3      LYS   2 -15.553  -4.207  13.405
   22    H    LEU   3           H        LEU   3  -8.524  -4.656  10.559
   23    HA   LEU   3           HA       LEU   3  -6.908  -3.424   8.710
   24    HB2  LEU   3           HB2      LEU   3  -6.264  -5.577  10.721
   25    HB3  LEU   3           HB3      LEU   3  -5.072  -4.729   9.751
   26    HG   LEU   3           HG       LEU   3  -5.480  -2.673  10.906
   27   HD11  LEU   3          HD11      LEU   3  -7.674  -4.107  12.368
   28   HD12  LEU   3          HD12      LEU   3  -6.982  -2.559  12.863
   29   HD13  LEU   3          HD13      LEU   3  -7.817  -2.693  11.317
   30   HD21  LEU   3          HD21      LEU   3  -5.198  -4.987  12.798
   31   HD22  LEU   3          HD22      LEU   3  -3.906  -4.175  11.914
   32   HD23  LEU   3          HD23      LEU   3  -4.795  -3.312  13.172
   33    H    GLY   4           H        GLY   4  -8.037  -6.797   9.097
   34    HA2  GLY   4           HA3      GLY   4  -7.958  -8.462   7.487
   35    HA3  GLY   4           HA2      GLY   4  -7.722  -7.160   6.312
   36    H    LYS   5           H        LYS   5  -6.190  -8.665   5.291
   37    HA   LYS   5           HA       LYS   5  -3.681  -7.531   6.217
   38    HB2  LYS   5           HB2      LYS   5  -3.997 -10.479   5.812
   39    HB3  LYS   5           HB3      LYS   5  -2.467  -9.708   5.446
   40    HG2  LYS   5           HG2      LYS   5  -2.700  -8.722   7.839
   41    HG3  LYS   5           HG3      LYS   5  -3.829 -10.055   8.077
   42    HD2  LYS   5           HD2      LYS   5  -2.152 -11.674   7.620
   43    HD3  LYS   5           HD3      LYS   5  -1.040 -10.441   7.015
   44    HE2  LYS   5           HE2      LYS   5  -1.047  -9.432   9.305
   45    HE3  LYS   5           HE3      LYS   5  -1.976 -10.824   9.856
   46    HZ1  LYS   5           HZ1      LYS   5   0.706 -11.009   8.590
   47    HZ2  LYS   5           HZ2      LYS   5  -0.164 -12.272   9.314
   48    HZ3  LYS   5           HZ3      LYS   5   0.440 -11.002  10.258
   49    H    LEU   6           H        LEU   6  -2.110  -7.319   4.579
   50    HA   LEU   6           HA       LEU   6  -3.076  -7.967   1.891
   51    HB2  LEU   6           HB2      LEU   6  -2.882  -5.783   1.364
   52    HB3  LEU   6           HB3      LEU   6  -2.425  -5.460   3.017
   53    HG   LEU   6           HG       LEU   6  -0.216  -6.324   1.303
   54   HD11  LEU   6          HD11      LEU   6  -1.291  -3.520   0.976
   55   HD12  LEU   6          HD12      LEU   6   0.024  -4.318   0.092
   56   HD13  LEU   6          HD13      LEU   6  -1.646  -4.823  -0.175
   57   HD21  LEU   6          HD21      LEU   6  -0.016  -5.564   3.680
   58   HD22  LEU   6          HD22      LEU   6   0.937  -4.587   2.557
   59   HD23  LEU   6          HD23      LEU   6  -0.600  -3.971   3.174
   60    H    GLN   7           H        GLN   7  -2.013  -9.755   1.438
   61    HA   GLN   7           HA       GLN   7   0.602 -10.106   2.730
   62    HB2  GLN   7           HB2      GLN   7  -0.856 -12.357   1.412
   63    HB3  GLN   7           HB3      GLN   7   0.205 -12.380   2.807
   64    HG2  GLN   7           HG2      GLN   7  -1.659 -12.583   3.995
   65    HG3  GLN   7           HG3      GLN   7  -1.846 -10.851   3.720
   66   HE21  GLN   7          HE21      GLN   7  -2.342 -11.431   0.793
   67   HE22  GLN   7          HE22      GLN   7  -3.994 -11.946   0.748
   68    H    TYR   8           H        TYR   8   2.183  -9.376   1.348
   69    HA   TYR   8           HA       TYR   8   2.808 -11.350  -0.453
   70    HB2  TYR   8           HB2      TYR   8   1.305  -9.830  -1.854
   71    HB3  TYR   8           HB3      TYR   8   2.827  -9.008  -2.167
   72    HD1  TYR   8           HD2      TYR   8   2.551 -12.610  -1.440
   73    HD2  TYR   8           HD1      TYR   8   3.040  -9.689  -4.496
   74    HE1  TYR   8           HE2      TYR   8   3.145 -14.384  -3.031
   75    HE2  TYR   8           HE1      TYR   8   3.635 -11.459  -6.097
   76    HH   TYR   8           HH       TYR   8   3.180 -14.792  -5.391
   77    H    SER   9           H        SER   9   4.536  -9.306  -2.078
   78    HA   SER   9           HA       SER   9   6.773  -9.773  -0.263
   79    HB2  SER   9           HB2      SER   9   7.988 -10.928  -2.112
   80    HB3  SER   9           HB3      SER   9   6.598 -11.831  -1.523
   81    HG   SER   9           HG       SER   9   6.431 -10.106  -3.762
   82    H    LEU  10           H        LEU  10   8.120  -8.277  -0.330
   83    HA   LEU  10           HA       LEU  10   7.721  -5.960  -2.054
   84    HB2  LEU  10           HB2      LEU  10   9.099  -6.079   0.637
   85    HB3  LEU  10           HB3      LEU  10   8.550  -4.654  -0.210
   86    HG   LEU  10           HG       LEU  10   7.168  -5.071   1.719
   87   HD11  LEU  10          HD11      LEU  10   6.026  -4.094  -0.146
   88   HD12  LEU  10          HD12      LEU  10   5.719  -5.691  -0.834
   89   HD13  LEU  10          HD13      LEU  10   4.947  -5.228   0.683
   90   HD21  LEU  10          HD21      LEU  10   6.409  -7.683   0.473
   91   HD22  LEU  10          HD22      LEU  10   7.468  -7.498   1.879
   92   HD23  LEU  10          HD23      LEU  10   5.773  -7.004   1.975
   93    H    ASP  11           H        ASP  11   9.465  -5.204  -3.165
   94    HA   ASP  11           HA       ASP  11  11.960  -6.755  -2.932
   95    HB2  ASP  11           HB2      ASP  11  10.433  -7.612  -4.720
   96    HB3  ASP  11           HB3      ASP  11  10.554  -6.050  -5.517
   97    H    TYR  12           H        TYR  12  13.724  -5.741  -4.359
   98    HA   TYR  12           HA       TYR  12  13.541  -2.818  -4.697
   99    HB2  TYR  12           HB2      TYR  12  14.474  -2.982  -2.533
  100    HB3  TYR  12           HB3      TYR  12  15.490  -4.343  -2.966
  101    HD1  TYR  12           HD1      TYR  12  15.017  -0.815  -4.178
  102    HD2  TYR  12           HD2      TYR  12  17.719  -3.870  -2.975
  103    HE1  TYR  12           HE1      TYR  12  16.901   0.732  -4.493
  104    HE2  TYR  12           HE2      TYR  12  19.609  -2.335  -3.300
  105    HH   TYR  12           HH       TYR  12  20.151  -0.294  -4.534
  106    H    ASP  13           H        ASP  13  14.005  -2.465  -6.699
  107    HA   ASP  13           HA       ASP  13  16.068  -4.122  -7.999
  108    HB2  ASP  13           HB2      ASP  13  13.882  -3.611  -9.210
  109    HB3  ASP  13           HB3      ASP  13  14.410  -1.934  -9.281
  110    H    PHE  14           H        PHE  14  18.130  -3.269  -8.180
  111    HA   PHE  14           HA       PHE  14  18.314  -0.811  -6.645
  112    HB2  PHE  14           HB2      PHE  14  20.763  -1.438  -6.473
  113    HB3  PHE  14           HB3      PHE  14  19.615  -2.504  -5.678
  114    HD1  PHE  14           HD2      PHE  14  21.955  -2.138  -8.466
  115    HD2  PHE  14           HD1      PHE  14  19.289  -4.766  -6.445
  116    HE1  PHE  14           HE2      PHE  14  22.907  -4.041  -9.697
  117    HE2  PHE  14           HE1      PHE  14  20.238  -6.677  -7.672
  118    HZ   PHE  14           HZ       PHE  14  22.086  -6.344  -9.224
  119    H    GLN  15           H        GLN  15  18.946  -1.861  -9.960
  120    HA   GLN  15           HA       GLN  15  20.546   0.540 -10.266
  121    HB2  GLN  15           HB2      GLN  15  20.855  -0.215 -12.576
  122    HB3  GLN  15           HB3      GLN  15  21.339  -1.418 -11.406
  123    HG2  GLN  15           HG2      GLN  15  20.251  -2.596 -13.116
  124    HG3  GLN  15           HG3      GLN  15  19.084  -2.508 -11.801
  125   HE21  GLN  15          HE21      GLN  15  17.176  -1.410 -12.103
  126   HE22  GLN  15          HE22      GLN  15  16.728  -0.649 -13.600
  127    H    ASN  16           H        ASN  16  17.138   0.054 -10.325
  128    HA   ASN  16           HA       ASN  16  17.195   2.700 -11.551
  129    HB2  ASN  16           HB2      ASN  16  14.662   2.435 -11.225
  130    HB3  ASN  16           HB3      ASN  16  15.434   1.516 -12.505
  131   HD21  ASN  16          HD21      ASN  16  13.714   0.036 -12.456
  132   HD22  ASN  16          HD22      ASN  16  13.581  -1.138 -11.191
  133    H    ASN  17           H        ASN  17  17.513   1.089  -8.764
  134    HA   ASN  17           HA       ASN  17  17.672   1.499  -6.624
  135    HB2  ASN  17           HB2      ASN  17  18.875   3.650  -7.738
  136    HB3  ASN  17           HB3      ASN  17  17.586   4.433  -6.811
  137   HD21  ASN  17          HD21      ASN  17  17.474   2.341  -4.837
  138   HD22  ASN  17          HD22      ASN  17  18.899   2.464  -3.859
  139    H    GLN  18           H        GLN  18  15.306   0.754  -7.020
  140    HA   GLN  18           HA       GLN  18  13.661   2.672  -5.579
  141    HB2  GLN  18           HB2      GLN  18  11.723   2.089  -7.018
  142    HB3  GLN  18           HB3      GLN  18  12.918   3.107  -7.775
  143    HG2  GLN  18           HG2      GLN  18  12.273   1.634  -9.428
  144    HG3  GLN  18           HG3      GLN  18  13.773   0.940  -8.825
  145   HE21  GLN  18          HE21      GLN  18  10.873   0.660  -6.942
  146   HE22  GLN  18          HE22      GLN  18  10.611  -1.016  -7.244
  147    H    LEU  19           H        LEU  19  12.256   1.842  -4.182
  148    HA   LEU  19           HA       LEU  19  12.594  -0.976  -3.625
  149    HB2  LEU  19           HB2      LEU  19  11.165   1.212  -2.121
  150    HB3  LEU  19           HB3      LEU  19  11.411  -0.429  -1.538
  151    HG   LEU  19           HG       LEU  19  13.688   1.378  -2.309
  152   HD11  LEU  19          HD11      LEU  19  12.472   0.954   0.409
  153   HD12  LEU  19          HD12      LEU  19  14.002   1.770   0.090
  154   HD13  LEU  19          HD13      LEU  19  12.495   2.456  -0.515
  155   HD21  LEU  19          HD21      LEU  19  14.947  -0.214  -0.871
  156   HD22  LEU  19          HD22      LEU  19  13.482  -1.191  -0.729
  157   HD23  LEU  19          HD23      LEU  19  14.244  -0.959  -2.305
  158    H    LEU  20           H        LEU  20  10.700  -2.308  -3.192
  159    HA   LEU  20           HA       LEU  20   8.398  -1.527  -4.845
  160    HB2  LEU  20           HB2      LEU  20  10.097  -3.973  -4.981
  161    HB3  LEU  20           HB3      LEU  20   8.402  -4.074  -5.424
  162    HG   LEU  20           HG       LEU  20  10.430  -2.235  -6.692
  163   HD11  LEU  20          HD11      LEU  20  10.784  -4.606  -7.232
  164   HD12  LEU  20          HD12      LEU  20   9.105  -4.722  -7.761
  165   HD13  LEU  20          HD13      LEU  20  10.232  -3.681  -8.629
  166   HD21  LEU  20          HD21      LEU  20   8.282  -1.217  -6.755
  167   HD22  LEU  20          HD22      LEU  20   8.573  -1.916  -8.347
  168   HD23  LEU  20          HD23      LEU  20   7.502  -2.737  -7.201
  169    H    VAL  21           H        VAL  21   6.430  -1.958  -4.072
  170    HA   VAL  21           HA       VAL  21   6.223  -4.030  -1.975
  171    HB   VAL  21           HB       VAL  21   5.587  -1.935  -0.931
  172   HG11  VAL  21          HG11      VAL  21   3.785  -0.533  -1.795
  173   HG12  VAL  21          HG12      VAL  21   5.147  -0.621  -2.914
  174   HG13  VAL  21          HG13      VAL  21   3.684  -1.554  -3.228
  175   HG21  VAL  21          HG21      VAL  21   3.219  -2.333  -0.364
  176   HG22  VAL  21          HG22      VAL  21   3.123  -3.512  -1.672
  177   HG23  VAL  21          HG23      VAL  21   4.189  -3.803  -0.296
  178    H    GLY  22           H        GLY  22   6.045  -5.574  -3.537
  179    HA2  GLY  22           HA3      GLY  22   3.883  -5.321  -5.480
  180    HA3  GLY  22           HA2      GLY  22   5.173  -6.533  -5.457
  181    H    ILE  23           H        ILE  23   2.178  -5.555  -3.820
  182    HA   ILE  23           HA       ILE  23   2.439  -8.119  -2.484
  183    HB   ILE  23           HB       ILE  23   0.407  -7.568  -1.242
  184   HG12  ILE  23          HG12      ILE  23  -0.584  -6.177  -3.151
  185   HG13  ILE  23          HG13      ILE  23  -0.808  -5.566  -1.519
  186   HG21  ILE  23          HG21      ILE  23   1.354  -5.695   0.027
  187   HG22  ILE  23          HG22      ILE  23   2.568  -6.907  -0.381
  188   HG23  ILE  23          HG23      ILE  23   2.492  -5.394  -1.287
  189   HD11  ILE  23          HD11      ILE  23   1.216  -4.593  -3.520
  190   HD12  ILE  23          HD12      ILE  23  -0.270  -3.773  -3.045
  191   HD13  ILE  23          HD13      ILE  23   1.031  -3.989  -1.873
  192    H    ILE  24           H        ILE  24  -0.302  -8.759  -2.090
  193    HA   ILE  24           HA       ILE  24  -1.221  -9.435  -4.792
  194    HB   ILE  24           HB       ILE  24  -1.841 -10.905  -2.215
  195   HG12  ILE  24          HG12      ILE  24   0.443 -11.311  -3.134
  196   HG13  ILE  24          HG13      ILE  24  -0.575 -12.747  -3.127
  197   HG21  ILE  24          HG21      ILE  24  -2.723 -11.472  -5.045
  198   HG22  ILE  24          HG22      ILE  24  -3.021 -12.510  -3.651
  199   HG23  ILE  24          HG23      ILE  24  -3.748 -10.905  -3.727
  200   HD11  ILE  24          HD11      ILE  24   0.715 -12.597  -5.173
  201   HD12  ILE  24          HD12      ILE  24  -1.008 -12.443  -5.512
  202   HD13  ILE  24          HD13      ILE  24   0.022 -11.012  -5.513
  203    H    GLN  25           H        GLN  25  -2.563  -9.192  -1.547
  204    HA   GLN  25           HA       GLN  25  -4.699  -7.538  -2.561
  205    HB2  GLN  25           HB2      GLN  25  -6.351  -9.231  -1.847
  206    HB3  GLN  25           HB3      GLN  25  -5.385  -9.734  -3.221
  207    HG2  GLN  25           HG2      GLN  25  -5.224 -11.641  -2.082
  208    HG3  GLN  25           HG3      GLN  25  -3.947 -10.794  -1.208
  209   HE21  GLN  25          HE21      GLN  25  -4.574  -9.651   0.670
  210   HE22  GLN  25          HE22      GLN  25  -5.760 -10.346   1.709
  211    H    ALA  26           H        ALA  26  -5.944  -6.741  -1.088
  212    HA   ALA  26           HA       ALA  26  -5.113  -6.953   1.716
  213    HB1  ALA  26           HB1      ALA  26  -5.176  -4.671   0.825
  214    HB2  ALA  26           HB2      ALA  26  -6.844  -4.907   0.310
  215    HB3  ALA  26           HB3      ALA  26  -6.445  -4.897   2.027
  216    H    ALA  27           H        ALA  27  -6.772  -7.441   3.222
  217    HA   ALA  27           HA       ALA  27  -9.047  -8.766   1.957
  218    HB1  ALA  27           HB1      ALA  27  -8.781 -10.673   3.384
  219    HB2  ALA  27           HB2      ALA  27  -7.293 -10.370   2.487
  220    HB3  ALA  27           HB3      ALA  27  -7.406  -9.910   4.187
  221    H    GLU  28           H        GLU  28 -10.976  -8.222   2.740
  222    HA   GLU  28           HA       GLU  28 -12.662  -7.969   4.255
  223    HB2  GLU  28           HB2      GLU  28 -10.565  -8.824   6.257
  224    HB3  GLU  28           HB3      GLU  28 -12.300  -8.775   6.552
  225    HG2  GLU  28           HG2      GLU  28 -11.021 -10.471   4.424
  226    HG3  GLU  28           HG3      GLU  28 -11.344 -11.037   6.061
  227    H    LEU  29           H        LEU  29 -11.362  -5.656   3.518
  228    HA   LEU  29           HA       LEU  29 -11.118  -4.084   5.975
  229    HB2  LEU  29           HB2      LEU  29 -11.062  -2.834   3.274
  230    HB3  LEU  29           HB3      LEU  29 -10.160  -2.433   4.731
  231    HG   LEU  29           HG       LEU  29  -9.620  -4.844   2.987
  232   HD11  LEU  29          HD11      LEU  29  -8.210  -2.202   3.250
  233   HD12  LEU  29          HD12      LEU  29  -7.620  -3.596   2.330
  234   HD13  LEU  29          HD13      LEU  29  -9.111  -2.784   1.843
  235   HD21  LEU  29          HD21      LEU  29  -7.571  -5.023   4.313
  236   HD22  LEU  29          HD22      LEU  29  -8.078  -3.653   5.300
  237   HD23  LEU  29          HD23      LEU  29  -8.995  -5.158   5.343
  238    HA   PRO  30           HA       PRO  30 -15.186  -2.525   6.234
  239    HB2  PRO  30           HB2      PRO  30 -14.926   0.173   6.509
  240    HB3  PRO  30           HB3      PRO  30 -14.546  -0.983   7.789
  241    HG2  PRO  30           HG2      PRO  30 -12.703   0.381   5.864
  242    HG3  PRO  30           HG3      PRO  30 -12.506   0.122   7.609
  243    HD2  PRO  30           HD2      PRO  30 -11.265  -1.433   5.803
  244    HD3  PRO  30           HD3      PRO  30 -11.875  -2.091   7.335
  245    H    ALA  31           H        ALA  31 -16.913  -1.725   5.153
  246    HA   ALA  31           HA       ALA  31 -16.630  -1.106   2.364
  247    HB1  ALA  31           HB1      ALA  31 -19.051  -1.227   2.332
  248    HB2  ALA  31           HB2      ALA  31 -18.374  -2.581   3.239
  249    HB3  ALA  31           HB3      ALA  31 -19.088  -1.215   4.095
  250    H    LEU  32           H        LEU  32 -16.508   0.864   1.436
  251    HA   LEU  32           HA       LEU  32 -17.758   3.159   2.825
  252    HB2  LEU  32           HB2      LEU  32 -15.241   2.889   1.301
  253    HB3  LEU  32           HB3      LEU  32 -16.167   4.363   1.066
  254    HG   LEU  32           HG       LEU  32 -14.363   4.501   2.791
  255   HD11  LEU  32          HD11      LEU  32 -17.225   5.007   3.584
  256   HD12  LEU  32          HD12      LEU  32 -15.836   5.612   4.492
  257   HD13  LEU  32          HD13      LEU  32 -16.093   6.139   2.826
  258   HD21  LEU  32          HD21      LEU  32 -14.549   2.296   3.744
  259   HD22  LEU  32          HD22      LEU  32 -14.851   3.501   5.000
  260   HD23  LEU  32          HD23      LEU  32 -16.199   2.623   4.267
  261    H    ASP  33           H        ASP  33 -19.227   1.494   1.221
  262    HA   ASP  33           HA       ASP  33 -20.072   3.273  -0.897
  263    HB2  ASP  33           HB2      ASP  33 -18.593   1.801  -2.103
  264    HB3  ASP  33           HB3      ASP  33 -19.288   0.381  -1.327
  265    H    MET  34           H        MET  34 -22.212   2.830  -1.608
  266    HA   MET  34           HA       MET  34 -23.884   1.858   0.540
  267    HB2  MET  34           HB2      MET  34 -24.556   3.098  -2.132
  268    HB3  MET  34           HB3      MET  34 -25.767   2.599  -0.959
  269    HG2  MET  34           HG2      MET  34 -24.784   4.156   0.675
  270    HG3  MET  34           HG3      MET  34 -23.644   4.691  -0.558
  271    HE1  MET  34           HE1      MET  34 -24.454   7.199  -0.082
  272    HE2  MET  34           HE2      MET  34 -26.140   7.707  -0.170
  273    HE3  MET  34           HE3      MET  34 -25.618   6.609   1.106
  274    H    GLY  35           H        GLY  35 -22.715  -0.267   0.043
  275    HA2  GLY  35           HA3      GLY  35 -24.740  -2.069  -0.865
  276    HA3  GLY  35           HA2      GLY  35 -23.365  -2.027  -1.964
  277    H    GLY  36           H        GLY  36 -22.750  -1.330   1.300
  278    HA2  GLY  36           HA3      GLY  36 -21.424  -2.322   2.866
  279    HA3  GLY  36           HA2      GLY  36 -22.306  -3.791   2.480
  280    H    THR  37           H        THR  37 -20.235  -1.971   0.321
  281    HA   THR  37           HA       THR  37 -18.064  -3.861   0.718
  282    HB   THR  37           HB       THR  37 -17.677  -3.968  -1.766
  283    HG1  THR  37           HG1      THR  37 -19.338  -2.154  -1.944
  284   HG21  THR  37          HG21      THR  37 -18.665  -5.876  -0.591
  285   HG22  THR  37          HG22      THR  37 -19.350  -5.708  -2.207
  286   HG23  THR  37          HG23      THR  37 -20.272  -5.181  -0.798
  287    H    SER  38           H        SER  38 -16.156  -2.978  -0.656
  288    HA   SER  38           HA       SER  38 -16.102  -0.054  -0.561
  289    HB2  SER  38           HB2      SER  38 -14.806  -0.836   1.292
  290    HB3  SER  38           HB3      SER  38 -14.102  -2.141   0.346
  291    HG   SER  38           HG       SER  38 -13.649   0.610  -0.183
  292    H    ASP  39           H        ASP  39 -14.508   0.874  -2.093
  293    HA   ASP  39           HA       ASP  39 -13.785  -0.970  -4.276
  294    HB2  ASP  39           HB2      ASP  39 -14.467   1.964  -4.289
  295    HB3  ASP  39           HB3      ASP  39 -13.400   1.311  -5.527
  296    HA   PRO  40           HA       PRO  40 -10.083  -0.066  -1.547
  297    HB2  PRO  40           HB2      PRO  40  -8.973  -2.448  -2.611
  298    HB3  PRO  40           HB3      PRO  40  -9.648  -2.198  -0.999
  299    HG2  PRO  40           HG2      PRO  40 -10.913  -3.384  -3.412
  300    HG3  PRO  40           HG3      PRO  40 -11.206  -3.716  -1.699
  301    HD2  PRO  40           HD2      PRO  40 -12.932  -2.329  -3.166
  302    HD3  PRO  40           HD3      PRO  40 -12.613  -1.927  -1.459
  303    H    TYR  41           H        TYR  41  -8.323   0.881  -2.076
  304    HA   TYR  41           HA       TYR  41  -6.776   0.334  -4.380
  305    HB2  TYR  41           HB2      TYR  41  -7.813   1.857  -5.736
  306    HB3  TYR  41           HB3      TYR  41  -8.647   2.621  -4.396
  307    HD1  TYR  41           HD2      TYR  41  -4.955   2.376  -4.935
  308    HD2  TYR  41           HD1      TYR  41  -8.382   4.895  -4.867
  309    HE1  TYR  41           HE2      TYR  41  -3.500   4.337  -5.107
  310    HE2  TYR  41           HE1      TYR  41  -6.932   6.868  -5.071
  311    HH   TYR  41           HH       TYR  41  -3.661   6.664  -5.923
  312    H    VAL  42           H        VAL  42  -4.711   0.742  -3.795
  313    HA   VAL  42           HA       VAL  42  -4.396   1.808  -1.092
  314    HB   VAL  42           HB       VAL  42  -2.443   0.121  -2.670
  315   HG11  VAL  42          HG11      VAL  42  -2.490   0.916   0.240
  316   HG12  VAL  42          HG12      VAL  42  -1.327  -0.180  -0.506
  317   HG13  VAL  42          HG13      VAL  42  -1.373   1.516  -0.988
  318   HG21  VAL  42          HG21      VAL  42  -3.118  -1.724  -1.191
  319   HG22  VAL  42          HG22      VAL  42  -4.364  -0.694  -0.489
  320   HG23  VAL  42          HG23      VAL  42  -4.457  -1.156  -2.188
  321    H    LYS  43           H        LYS  43  -3.959   3.871  -1.149
  322    HA   LYS  43           HA       LYS  43  -2.208   5.047  -3.119
  323    HB2  LYS  43           HB2      LYS  43  -3.105   6.243  -0.502
  324    HB3  LYS  43           HB3      LYS  43  -2.523   7.093  -1.923
  325    HG2  LYS  43           HG2      LYS  43  -4.549   6.441  -3.127
  326    HG3  LYS  43           HG3      LYS  43  -5.137   5.616  -1.671
  327    HD2  LYS  43           HD2      LYS  43  -6.139   7.743  -1.589
  328    HD3  LYS  43           HD3      LYS  43  -4.753   7.819  -0.494
  329    HE2  LYS  43           HE2      LYS  43  -4.826   9.838  -1.789
  330    HE3  LYS  43           HE3      LYS  43  -3.427   8.883  -2.269
  331    HZ1  LYS  43           HZ1      LYS  43  -4.485   9.760  -4.199
  332    HZ2  LYS  43           HZ2      LYS  43  -5.995   9.146  -3.744
  333    HZ3  LYS  43           HZ3      LYS  43  -4.745   8.084  -4.186
  334    H    VAL  44           H        VAL  44  -0.148   4.547  -2.945
  335    HA   VAL  44           HA       VAL  44   0.881   3.899  -0.276
  336    HB   VAL  44           HB       VAL  44   1.212   2.067  -1.794
  337   HG11  VAL  44          HG11      VAL  44   2.617   4.016  -3.606
  338   HG12  VAL  44          HG12      VAL  44   2.495   2.276  -3.860
  339   HG13  VAL  44          HG13      VAL  44   1.043   3.276  -3.896
  340   HG21  VAL  44          HG21      VAL  44   3.656   1.848  -1.760
  341   HG22  VAL  44          HG22      VAL  44   3.793   3.563  -1.373
  342   HG23  VAL  44          HG23      VAL  44   3.021   2.461  -0.233
  343    H    PHE  45           H        PHE  45   2.361   5.142   0.658
  344    HA   PHE  45           HA       PHE  45   3.432   7.376  -0.849
  345    HB2  PHE  45           HB2      PHE  45   1.572   7.593   1.527
  346    HB3  PHE  45           HB3      PHE  45   2.552   8.923   0.931
  347    HD1  PHE  45           HD1      PHE  45   2.165   8.406  -2.035
  348    HD2  PHE  45           HD2      PHE  45  -0.555   8.491   1.230
  349    HE1  PHE  45           HE1      PHE  45   0.361   9.078  -3.564
  350    HE2  PHE  45           HE2      PHE  45  -2.367   9.154  -0.292
  351    HZ   PHE  45           HZ       PHE  45  -1.909   9.449  -2.695
  352    H    LEU  46           H        LEU  46   4.259   8.847   0.937
  353    HA   LEU  46           HA       LEU  46   6.028   7.454   2.762
  354    HB2  LEU  46           HB2      LEU  46   6.926   9.501   0.735
  355    HB3  LEU  46           HB3      LEU  46   7.853   9.024   2.145
  356    HG   LEU  46           HG       LEU  46   7.006   7.146  -0.032
  357   HD11  LEU  46          HD11      LEU  46   9.720   8.334   0.487
  358   HD12  LEU  46          HD12      LEU  46   9.298   7.169  -0.773
  359   HD13  LEU  46          HD13      LEU  46   8.637   8.805  -0.824
  360   HD21  LEU  46          HD21      LEU  46   8.520   5.589   1.020
  361   HD22  LEU  46          HD22      LEU  46   8.925   6.783   2.256
  362   HD23  LEU  46          HD23      LEU  46   7.293   6.119   2.174
  363    H    LEU  47           H        LEU  47   7.097   9.062   4.279
  364    HA   LEU  47           HA       LEU  47   5.235  10.959   5.289
  365    HB2  LEU  47           HB2      LEU  47   7.134  11.714   6.723
  366    HB3  LEU  47           HB3      LEU  47   6.826   9.996   6.811
  367    HG   LEU  47           HG       LEU  47   8.789   9.590   5.355
  368   HD11  LEU  47          HD11      LEU  47   8.859  11.721   4.154
  369   HD12  LEU  47          HD12      LEU  47   9.311  12.541   5.648
  370   HD13  LEU  47          HD13      LEU  47  10.400  11.354   4.930
  371   HD21  LEU  47          HD21      LEU  47  10.474  10.148   7.032
  372   HD22  LEU  47          HD22      LEU  47   9.329  11.240   7.812
  373   HD23  LEU  47          HD23      LEU  47   9.005   9.507   7.769
  374    HA   PRO  48           HA       PRO  48   5.865  15.162   3.786
  375    HB2  PRO  48           HB2      PRO  48   8.552  15.198   5.096
  376    HB3  PRO  48           HB3      PRO  48   7.329  16.471   5.007
  377    HG2  PRO  48           HG2      PRO  48   7.644  14.700   7.120
  378    HG3  PRO  48           HG3      PRO  48   6.186  15.644   6.784
  379    HD2  PRO  48           HD2      PRO  48   6.443  12.828   6.712
  380    HD3  PRO  48           HD3      PRO  48   5.061  13.784   6.139
  381    H    ASP  49           H        ASP  49   8.957  13.242   3.351
  382    HA   ASP  49           HA       ASP  49   9.684  14.669   1.039
  383    HB2  ASP  49           HB2      ASP  49  11.255  13.217   2.205
  384    HB3  ASP  49           HB3      ASP  49  10.289  11.798   1.816
  385    H    LYS  50           H        LYS  50   8.474  11.262   0.897
  386    HA   LYS  50           HA       LYS  50   6.696  10.365  -0.045
  387    HB2  LYS  50           HB2      LYS  50   5.783  12.774   0.813
  388    HB3  LYS  50           HB3      LYS  50   5.449  12.897  -0.912
  389    HG2  LYS  50           HG2      LYS  50   4.394  10.889   1.060
  390    HG3  LYS  50           HG3      LYS  50   3.498  11.977  -0.012
  391    HD2  LYS  50           HD2      LYS  50   5.368  10.082  -1.269
  392    HD3  LYS  50           HD3      LYS  50   3.912   9.385  -0.535
  393    HE2  LYS  50           HE2      LYS  50   3.724  10.008  -2.992
  394    HE3  LYS  50           HE3      LYS  50   2.462  10.612  -1.929
  395    HZ1  LYS  50           HZ1      LYS  50   3.171  12.305  -3.467
  396    HZ2  LYS  50           HZ2      LYS  50   4.780  12.166  -2.951
  397    HZ3  LYS  50           HZ3      LYS  50   3.596  12.760  -1.893
  398    H    LYS  51           H        LYS  51   8.737  10.135  -1.492
  399    HA   LYS  51           HA       LYS  51   8.414  11.397  -4.096
  400    HB2  LYS  51           HB2      LYS  51  10.361   9.618  -2.747
  401    HB3  LYS  51           HB3      LYS  51  10.354   9.639  -4.510
  402    HG2  LYS  51           HG2      LYS  51  10.570  12.182  -4.269
  403    HG3  LYS  51           HG3      LYS  51  10.996  11.840  -2.589
  404    HD2  LYS  51           HD2      LYS  51  12.711  10.206  -3.527
  405    HD3  LYS  51           HD3      LYS  51  12.424  10.972  -5.090
  406    HE2  LYS  51           HE2      LYS  51  14.288  12.077  -4.208
  407    HE3  LYS  51           HE3      LYS  51  12.933  13.170  -3.922
  408    HZ1  LYS  51           HZ1      LYS  51  14.239  11.373  -1.958
  409    HZ2  LYS  51           HZ2      LYS  51  12.799  12.217  -1.643
  410    HZ3  LYS  51           HZ3      LYS  51  14.232  13.069  -1.957
  411    H    LYS  52           H        LYS  52   6.305   9.498  -3.120
  412    HA   LYS  52           HA       LYS  52   6.324   7.768  -5.452
  413    HB2  LYS  52           HB2      LYS  52   5.588   5.818  -4.014
  414    HB3  LYS  52           HB3      LYS  52   7.279   6.285  -3.867
  415    HG2  LYS  52           HG2      LYS  52   6.793   7.476  -1.813
  416    HG3  LYS  52           HG3      LYS  52   5.083   7.087  -1.975
  417    HD2  LYS  52           HD2      LYS  52   6.076   5.601  -0.375
  418    HD3  LYS  52           HD3      LYS  52   5.661   4.687  -1.826
  419    HE2  LYS  52           HE2      LYS  52   7.859   4.404  -2.440
  420    HE3  LYS  52           HE3      LYS  52   8.429   5.802  -1.535
  421    HZ1  LYS  52           HZ1      LYS  52   7.515   3.207  -0.405
  422    HZ2  LYS  52           HZ2      LYS  52   7.938   4.555   0.523
  423    HZ3  LYS  52           HZ3      LYS  52   9.104   3.793  -0.433
  424    H    LYS  53           H        LYS  53   4.495   9.286  -6.143
  425    HA   LYS  53           HA       LYS  53   2.056   8.612  -4.717
  426    HB2  LYS  53           HB2      LYS  53   2.124  10.848  -5.627
  427    HB3  LYS  53           HB3      LYS  53   2.538  10.232  -7.226
  428    HG2  LYS  53           HG2      LYS  53   0.389   9.032  -7.236
  429    HG3  LYS  53           HG3      LYS  53  -0.052   9.868  -5.750
  430    HD2  LYS  53           HD2      LYS  53  -1.041  11.039  -7.593
  431    HD3  LYS  53           HD3      LYS  53   0.278  12.027  -6.959
  432    HE2  LYS  53           HE2      LYS  53   1.708  11.417  -8.759
  433    HE3  LYS  53           HE3      LYS  53   0.599  10.155  -9.295
  434    HZ1  LYS  53           HZ1      LYS  53  -0.957  11.771 -10.002
  435    HZ2  LYS  53           HZ2      LYS  53   0.546  12.233 -10.638
  436    HZ3  LYS  53           HZ3      LYS  53  -0.090  13.040  -9.286
  437    H    PHE  54           H        PHE  54   1.835   6.369  -4.962
  438    HA   PHE  54           HA       PHE  54   1.421   5.569  -7.753
  439    HB2  PHE  54           HB2      PHE  54   2.526   4.026  -5.471
  440    HB3  PHE  54           HB3      PHE  54   1.637   3.163  -6.727
  441    HD1  PHE  54           HD1      PHE  54   4.314   5.738  -6.386
  442    HD2  PHE  54           HD2      PHE  54   2.798   2.414  -8.563
  443    HE1  PHE  54           HE1      PHE  54   6.331   5.743  -7.791
  444    HE2  PHE  54           HE2      PHE  54   4.813   2.412  -9.975
  445    HZ   PHE  54           HZ       PHE  54   6.512   4.179  -9.686
  446    H    GLU  55           H        GLU  55  -0.161   3.709  -8.021
  447    HA   GLU  55           HA       GLU  55  -2.555   4.163  -6.427
  448    HB2  GLU  55           HB2      GLU  55  -2.485   6.005  -8.057
  449    HB3  GLU  55           HB3      GLU  55  -2.353   4.846  -9.369
  450    HG2  GLU  55           HG2      GLU  55  -4.578   3.995  -8.839
  451    HG3  GLU  55           HG3      GLU  55  -4.705   5.160  -7.520
  452    H    THR  56           H        THR  56  -3.240   2.124  -6.050
  453    HA   THR  56           HA       THR  56  -3.026  -0.085  -7.783
  454    HB   THR  56           HB       THR  56  -5.381   0.188  -5.969
  455    HG1  THR  56           HG1      THR  56  -3.908  -0.273  -4.182
  456   HG21  THR  56          HG21      THR  56  -4.927  -1.951  -7.046
  457   HG22  THR  56          HG22      THR  56  -4.741  -2.075  -5.296
  458   HG23  THR  56          HG23      THR  56  -3.315  -1.978  -6.331
  459    H    LYS  57           H        LYS  57  -4.555  -0.965  -9.227
  460    HA   LYS  57           HA       LYS  57  -6.526   0.701 -10.414
  461    HB2  LYS  57           HB2      LYS  57  -5.523  -1.284 -11.519
  462    HB3  LYS  57           HB3      LYS  57  -6.354  -2.323 -10.373
  463    HG2  LYS  57           HG2      LYS  57  -8.503  -1.598 -11.244
  464    HG3  LYS  57           HG3      LYS  57  -7.687  -0.500 -12.362
  465    HD2  LYS  57           HD2      LYS  57  -6.574  -2.417 -13.414
  466    HD3  LYS  57           HD3      LYS  57  -7.413  -3.507 -12.307
  467    HE2  LYS  57           HE2      LYS  57  -9.562  -2.744 -13.209
  468    HE3  LYS  57           HE3      LYS  57  -8.707  -1.677 -14.324
  469    HZ1  LYS  57           HZ1      LYS  57  -7.632  -3.664 -15.271
  470    HZ2  LYS  57           HZ2      LYS  57  -9.318  -3.677 -15.455
  471    HZ3  LYS  57           HZ3      LYS  57  -8.587  -4.646 -14.269
  472    H    VAL  58           H        VAL  58  -8.806   0.725 -10.084
  473    HA   VAL  58           HA       VAL  58  -9.410   0.435  -7.283
  474    HB   VAL  58           HB       VAL  58 -11.613   1.443  -7.845
  475   HG11  VAL  58          HG11      VAL  58  -9.233   2.931  -8.946
  476   HG12  VAL  58          HG12      VAL  58 -10.744   3.648  -8.388
  477   HG13  VAL  58          HG13      VAL  58  -9.682   2.825  -7.245
  478   HG21  VAL  58          HG21      VAL  58 -11.836   0.558 -10.122
  479   HG22  VAL  58          HG22      VAL  58 -12.018   2.313 -10.078
  480   HG23  VAL  58          HG23      VAL  58 -10.512   1.598 -10.647
  481    H    HIS  59           H        HIS  59 -10.599  -1.045  -6.294
  482    HA   HIS  59           HA       HIS  59 -11.405  -3.356  -7.928
  483    HB2  HIS  59           HB2      HIS  59 -10.946  -3.233  -4.941
  484    HB3  HIS  59           HB3      HIS  59 -11.133  -4.683  -5.929
  485    HD1  HIS  59           HD1      HIS  59  -8.618  -2.632  -4.448
  486    HD2  HIS  59           HD2      HIS  59  -8.904  -4.819  -7.961
  487    HE1  HIS  59           HE1      HIS  59  -6.254  -2.987  -5.207
  488    HE2  HIS  59           HE2      HIS  59  -6.486  -4.043  -7.480
  489    H    ARG  60           H        ARG  60 -13.489  -2.877  -8.494
  490    HA   ARG  60           HA       ARG  60 -15.195  -1.427  -6.770
  491    HB2  ARG  60           HB2      ARG  60 -16.947  -2.020  -8.523
  492    HB3  ARG  60           HB3      ARG  60 -15.553  -1.104  -9.069
  493    HG2  ARG  60           HG2      ARG  60 -15.750  -2.651 -10.747
  494    HG3  ARG  60           HG3      ARG  60 -14.608  -3.464  -9.678
  495    HD2  ARG  60           HD2      ARG  60 -16.613  -4.605  -8.634
  496    HD3  ARG  60           HD3      ARG  60 -17.554  -3.980  -9.987
  497    HE   ARG  60           HE       ARG  60 -15.976  -5.262 -11.444
  498   HH11  ARG  60          HH12      ARG  60 -16.399  -6.165  -8.075
  499   HH12  ARG  60          HH11      ARG  60 -16.064  -7.850  -8.352
  500   HH21  ARG  60          HH22      ARG  60 -15.544  -7.497 -11.807
  501   HH22  ARG  60          HH21      ARG  60 -15.568  -8.594 -10.460
  502    H    LYS  61           H        LYS  61 -16.165  -2.162  -5.059
  503    HA   LYS  61           HA       LYS  61 -17.839  -3.153  -3.921
  504    HB2  LYS  61           HB2      LYS  61 -18.291  -4.863  -6.371
  505    HB3  LYS  61           HB3      LYS  61 -19.398  -4.634  -5.026
  506    HG2  LYS  61           HG2      LYS  61 -18.516  -2.384  -6.815
  507    HG3  LYS  61           HG3      LYS  61 -19.940  -3.375  -7.136
  508    HD2  LYS  61           HD2      LYS  61 -20.822  -1.546  -6.008
  509    HD3  LYS  61           HD3      LYS  61 -20.642  -2.751  -4.735
  510    HE2  LYS  61           HE2      LYS  61 -19.810  -0.799  -3.780
  511    HE3  LYS  61           HE3      LYS  61 -18.365  -1.667  -4.296
  512    HZ1  LYS  61           HZ1      LYS  61 -18.166   0.616  -4.903
  513    HZ2  LYS  61           HZ2      LYS  61 -19.669   0.605  -5.688
  514    HZ3  LYS  61           HZ3      LYS  61 -18.374  -0.285  -6.319
  515    H    THR  62           H        THR  62 -15.416  -3.938  -3.174
  516    HA   THR  62           HA       THR  62 -15.898  -6.675  -2.432
  517    HB   THR  62           HB       THR  62 -13.950  -7.624  -3.212
  518    HG1  THR  62           HG1      THR  62 -12.952  -5.073  -2.930
  519   HG21  THR  62          HG21      THR  62 -14.477  -5.579  -5.349
  520   HG22  THR  62          HG22      THR  62 -15.219  -7.173  -5.218
  521   HG23  THR  62          HG23      THR  62 -13.494  -7.028  -5.556
  522    H    LEU  63           H        LEU  63 -15.533  -6.667  -0.298
  523    HA   LEU  63           HA       LEU  63 -13.801  -4.633   0.825
  524    HB2  LEU  63           HB2      LEU  63 -15.353  -6.845   2.140
  525    HB3  LEU  63           HB3      LEU  63 -14.398  -5.647   2.960
  526    HG   LEU  63           HG       LEU  63 -16.813  -5.077   1.274
  527   HD11  LEU  63          HD11      LEU  63 -17.364  -6.209   3.382
  528   HD12  LEU  63          HD12      LEU  63 -16.451  -4.989   4.269
  529   HD13  LEU  63          HD13      LEU  63 -17.904  -4.530   3.379
  530   HD21  LEU  63          HD21      LEU  63 -15.092  -3.296   2.983
  531   HD22  LEU  63          HD22      LEU  63 -15.149  -3.307   1.221
  532   HD23  LEU  63          HD23      LEU  63 -16.567  -2.813   2.146
  533    H    ASN  64           H        ASN  64 -13.271  -7.438  -0.657
  534    HA   ASN  64           HA       ASN  64 -10.774  -7.908   0.723
  535    HB2  ASN  64           HB2      ASN  64 -12.615  -9.542   1.551
  536    HB3  ASN  64           HB3      ASN  64 -12.453 -10.286  -0.035
  537   HD21  ASN  64          HD21      ASN  64  -9.620  -9.949  -0.333
  538   HD22  ASN  64          HD22      ASN  64  -8.869 -11.002   0.805
  539    HA   PRO  65           HA       PRO  65 -10.549  -7.783  -3.871
  540    HB2  PRO  65           HB2      PRO  65  -8.767  -5.794  -4.003
  541    HB3  PRO  65           HB3      PRO  65 -10.476  -5.453  -3.695
  542    HG2  PRO  65           HG2      PRO  65  -8.209  -5.615  -1.726
  543    HG3  PRO  65           HG3      PRO  65  -9.501  -4.428  -1.852
  544    HD2  PRO  65           HD2      PRO  65  -9.539  -6.491  -0.112
  545    HD3  PRO  65           HD3      PRO  65 -10.999  -5.731  -0.776
  546    H    VAL  66           H        VAL  66  -8.960  -8.836  -5.091
  547    HA   VAL  66           HA       VAL  66  -6.283  -8.781  -3.928
  548    HB   VAL  66           HB       VAL  66  -5.791 -10.945  -4.099
  549   HG11  VAL  66          HG11      VAL  66  -7.727 -10.915  -2.653
  550   HG12  VAL  66          HG12      VAL  66  -8.808 -11.157  -4.026
  551   HG13  VAL  66          HG13      VAL  66  -7.683 -12.430  -3.553
  552   HG21  VAL  66          HG21      VAL  66  -7.717 -11.291  -6.413
  553   HG22  VAL  66          HG22      VAL  66  -5.961 -11.153  -6.510
  554   HG23  VAL  66          HG23      VAL  66  -6.694 -12.562  -5.742
  555    H    PHE  67           H        PHE  67  -5.126  -7.510  -5.094
  556    HA   PHE  67           HA       PHE  67  -5.682  -7.492  -7.957
  557    HB2  PHE  67           HB2      PHE  67  -5.485  -5.288  -6.765
  558    HB3  PHE  67           HB3      PHE  67  -3.744  -5.595  -6.687
  559    HD1  PHE  67           HD1      PHE  67  -2.381  -5.590  -8.700
  560    HD2  PHE  67           HD2      PHE  67  -6.577  -4.920  -8.907
  561    HE1  PHE  67           HE1      PHE  67  -2.143  -4.865 -11.038
  562    HE2  PHE  67           HE2      PHE  67  -6.343  -4.183 -11.238
  563    HZ   PHE  67           HZ       PHE  67  -4.127  -4.158 -12.311
  564    H    ASN  68           H        ASN  68  -3.030  -8.356  -5.837
  565    HA   ASN  68           HA       ASN  68  -0.834  -8.534  -6.102
  566    HB2  ASN  68           HB2      ASN  68   0.071 -10.050  -7.703
  567    HB3  ASN  68           HB3      ASN  68  -1.471 -10.680  -7.172
  568   HD21  ASN  68          HD21      ASN  68   0.373  -9.449  -9.822
  569   HD22  ASN  68          HD22      ASN  68  -0.748  -9.882 -11.069
  570    H    GLU  69           H        GLU  69  -0.599  -6.393  -6.050
  571    HA   GLU  69           HA       GLU  69  -0.136  -5.008  -8.616
  572    HB2  GLU  69           HB2      GLU  69  -2.228  -4.223  -7.513
  573    HB3  GLU  69           HB3      GLU  69  -1.304  -3.778  -6.087
  574    HG2  GLU  69           HG2      GLU  69  -1.138  -1.764  -6.970
  575    HG3  GLU  69           HG3      GLU  69   0.008  -2.459  -8.109
  576    H    GLN  70           H        GLN  70   1.856  -4.492  -8.841
  577    HA   GLN  70           HA       GLN  70   3.739  -4.274  -6.674
  578    HB2  GLN  70           HB2      GLN  70   3.742  -4.332  -9.609
  579    HB3  GLN  70           HB3      GLN  70   5.036  -3.399  -8.894
  580    HG2  GLN  70           HG2      GLN  70   4.451  -6.295  -8.337
  581    HG3  GLN  70           HG3      GLN  70   5.690  -5.690  -9.438
  582   HE21  GLN  70          HE21      GLN  70   5.988  -3.378  -7.447
  583   HE22  GLN  70          HE22      GLN  70   7.041  -4.059  -6.244
  584    H    PHE  71           H        PHE  71   3.740  -2.360  -5.498
  585    HA   PHE  71           HA       PHE  71   3.600   0.100  -7.090
  586    HB2  PHE  71           HB2      PHE  71   3.643  -0.102  -4.085
  587    HB3  PHE  71           HB3      PHE  71   3.292   1.323  -5.051
  588    HD1  PHE  71           HD1      PHE  71   1.197   1.352  -6.437
  589    HD2  PHE  71           HD2      PHE  71   1.972  -1.596  -3.473
  590    HE1  PHE  71           HE1      PHE  71  -1.200   0.811  -6.345
  591    HE2  PHE  71           HE2      PHE  71  -0.420  -2.145  -3.383
  592    HZ   PHE  71           HZ       PHE  71  -2.006  -0.941  -4.818
  593    H    THR  72           H        THR  72   5.505   0.376  -7.938
  594    HA   THR  72           HA       THR  72   8.035   0.223  -6.785
  595    HB   THR  72           HB       THR  72   6.984   2.117  -8.907
  596    HG1  THR  72           HG1      THR  72   7.419  -0.536  -8.874
  597   HG21  THR  72          HG21      THR  72   9.823   1.287  -8.286
  598   HG22  THR  72          HG22      THR  72   9.131   2.886  -8.013
  599   HG23  THR  72          HG23      THR  72   9.313   2.272  -9.658
  600    H    PHE  73           H        PHE  73   9.190   1.565  -5.584
  601    HA   PHE  73           HA       PHE  73   7.901   3.925  -4.507
  602    HB2  PHE  73           HB2      PHE  73  10.163   2.221  -3.413
  603    HB3  PHE  73           HB3      PHE  73   9.532   3.659  -2.637
  604    HD1  PHE  73           HD2      PHE  73   6.605   2.804  -3.455
  605    HD2  PHE  73           HD1      PHE  73   9.798   0.932  -1.363
  606    HE1  PHE  73           HE2      PHE  73   4.988   1.369  -2.297
  607    HE2  PHE  73           HE1      PHE  73   8.185  -0.515  -0.211
  608    HZ   PHE  73           HZ       PHE  73   5.881  -0.123  -0.356
  609    H    LYS  74           H        LYS  74   8.821   5.788  -5.417
  610    HA   LYS  74           HA       LYS  74  11.369   5.497  -6.723
  611    HB2  LYS  74           HB2      LYS  74   9.928   8.104  -6.327
  612    HB3  LYS  74           HB3      LYS  74  11.059   7.667  -7.597
  613    HG2  LYS  74           HG2      LYS  74   8.220   6.735  -7.264
  614    HG3  LYS  74           HG3      LYS  74   8.873   7.776  -8.530
  615    HD2  LYS  74           HD2      LYS  74   9.374   4.834  -8.121
  616    HD3  LYS  74           HD3      LYS  74   8.602   5.622  -9.495
  617    HE2  LYS  74           HE2      LYS  74  11.511   5.753  -8.707
  618    HE3  LYS  74           HE3      LYS  74  10.823   4.967 -10.128
  619    HZ1  LYS  74           HZ1      LYS  74  10.925   7.884  -9.576
  620    HZ2  LYS  74           HZ2      LYS  74  10.060   7.201 -10.858
  621    HZ3  LYS  74           HZ3      LYS  74  11.744   7.043 -10.797
  622    H    VAL  75           H        VAL  75  12.051   4.888  -4.331
  623    HA   VAL  75           HA       VAL  75  13.698   7.153  -3.607
  624    HB   VAL  75           HB       VAL  75  13.479   6.194  -1.171
  625   HG11  VAL  75          HG11      VAL  75  11.428   8.034  -2.383
  626   HG12  VAL  75          HG12      VAL  75  11.779   7.897  -0.661
  627   HG13  VAL  75          HG13      VAL  75  13.013   8.500  -1.769
  628   HG21  VAL  75          HG21      VAL  75  11.177   5.543  -0.612
  629   HG22  VAL  75          HG22      VAL  75  10.784   5.527  -2.332
  630   HG23  VAL  75          HG23      VAL  75  11.958   4.382  -1.683
  631    HA   PRO  76           HA       PRO  76  16.732   3.759  -3.847
  632    HB2  PRO  76           HB2      PRO  76  18.152   6.203  -2.794
  633    HB3  PRO  76           HB3      PRO  76  18.751   4.954  -3.905
  634    HG2  PRO  76           HG2      PRO  76  17.944   7.134  -5.020
  635    HG3  PRO  76           HG3      PRO  76  17.212   5.601  -5.613
  636    HD2  PRO  76           HD2      PRO  76  16.080   7.560  -3.590
  637    HD3  PRO  76           HD3      PRO  76  15.312   6.921  -5.066
  638    H    TYR  77           H        TYR  77  17.845   2.629  -2.246
  639    HA   TYR  77           HA       TYR  77  16.322   2.540   0.141
  640    HB2  TYR  77           HB2      TYR  77  17.357   0.547   0.640
  641    HB3  TYR  77           HB3      TYR  77  17.461   0.599  -1.115
  642    HD1  TYR  77           HD1      TYR  77  19.748   1.496  -2.079
  643    HD2  TYR  77           HD2      TYR  77  19.213   0.097   1.903
  644    HE1  TYR  77           HE1      TYR  77  22.165   1.067  -1.906
  645    HE2  TYR  77           HE2      TYR  77  21.624  -0.330   2.086
  646    HH   TYR  77           HH       TYR  77  23.514  -0.833   0.498
  647    H    SER  78           H        SER  78  19.499   3.803  -0.621
  648    HA   SER  78           HA       SER  78  20.360   4.551   1.922
  649    HB2  SER  78           HB2      SER  78  21.452   6.484   0.580
  650    HB3  SER  78           HB3      SER  78  21.899   4.829   0.163
  651    HG   SER  78           HG       SER  78  20.835   6.681  -1.414
  652    H    GLU  79           H        GLU  79  17.902   5.910  -0.126
  653    HA   GLU  79           HA       GLU  79  17.560   8.297   1.483
  654    HB2  GLU  79           HB2      GLU  79  16.409   7.296  -1.101
  655    HB3  GLU  79           HB3      GLU  79  15.546   8.542  -0.195
  656    HG2  GLU  79           HG2      GLU  79  17.485   9.989  -0.282
  657    HG3  GLU  79           HG3      GLU  79  18.406   8.739  -1.115
  658    H    LEU  80           H        LEU  80  16.373   5.126   1.259
  659    HA   LEU  80           HA       LEU  80  13.744   5.424   2.180
  660    HB2  LEU  80           HB2      LEU  80  13.922   3.294   1.479
  661    HB3  LEU  80           HB3      LEU  80  15.650   3.262   1.750
  662    HG   LEU  80           HG       LEU  80  13.861   3.013   4.131
  663   HD11  LEU  80          HD11      LEU  80  13.741   0.580   3.778
  664   HD12  LEU  80          HD12      LEU  80  12.838   1.487   2.565
  665   HD13  LEU  80          HD13      LEU  80  14.412   0.800   2.161
  666   HD21  LEU  80          HD21      LEU  80  16.306   3.117   4.388
  667   HD22  LEU  80          HD22      LEU  80  15.650   1.566   4.916
  668   HD23  LEU  80          HD23      LEU  80  16.464   1.695   3.356
  669    H    GLY  81           H        GLY  81  16.808   5.235   3.843
  670    HA2  GLY  81           HA3      GLY  81  16.126   4.733   6.438
  671    HA3  GLY  81           HA2      GLY  81  17.396   5.848   5.950
  672    H    GLY  82           H        GLY  82  16.073   7.951   4.907
  673    HA2  GLY  82           HA3      GLY  82  15.098   9.303   7.196
  674    HA3  GLY  82           HA2      GLY  82  15.066   9.908   5.549
  675    H    LYS  83           H        LYS  83  13.450   7.508   4.707
  676    HA   LYS  83           HA       LYS  83  10.994   9.005   5.041
  677    HB2  LYS  83           HB2      LYS  83  11.305   6.589   3.284
  678    HB3  LYS  83           HB3      LYS  83  10.222   7.958   3.092
  679    HG2  LYS  83           HG2      LYS  83  13.194   7.906   2.640
  680    HG3  LYS  83           HG3      LYS  83  11.927   8.106   1.431
  681    HD2  LYS  83           HD2      LYS  83  11.420  10.277   2.158
  682    HD3  LYS  83           HD3      LYS  83  12.257  10.050   3.697
  683    HE2  LYS  83           HE2      LYS  83  14.395   9.852   2.411
  684    HE3  LYS  83           HE3      LYS  83  13.498  10.297   0.959
  685    HZ1  LYS  83           HZ1      LYS  83  14.739  12.066   2.461
  686    HZ2  LYS  83           HZ2      LYS  83  13.249  12.070   3.267
  687    HZ3  LYS  83           HZ3      LYS  83  13.325  12.441   1.615
  688    H    THR  84           H        THR  84   9.040   8.126   5.693
  689    HA   THR  84           HA       THR  84   9.156   5.468   6.933
  690    HB   THR  84           HB       THR  84   7.294   6.083   8.345
  691    HG1  THR  84           HG1      THR  84   6.522   7.592   6.598
  692   HG21  THR  84          HG21      THR  84   8.271   7.869   9.720
  693   HG22  THR  84          HG22      THR  84   9.382   8.268   8.408
  694   HG23  THR  84          HG23      THR  84   9.493   6.703   9.215
  695    H    LEU  85           H        LEU  85   7.798   4.012   6.157
  696    HA   LEU  85           HA       LEU  85   6.439   4.644   3.710
  697    HB2  LEU  85           HB2      LEU  85   7.648   2.368   4.848
  698    HB3  LEU  85           HB3      LEU  85   5.960   1.982   4.574
  699    HG   LEU  85           HG       LEU  85   7.793   3.097   2.470
  700   HD11  LEU  85          HD11      LEU  85   8.503   0.908   3.344
  701   HD12  LEU  85          HD12      LEU  85   6.897   0.274   2.973
  702   HD13  LEU  85          HD13      LEU  85   7.947   0.824   1.666
  703   HD21  LEU  85          HD21      LEU  85   6.046   2.321   0.940
  704   HD22  LEU  85          HD22      LEU  85   5.067   1.808   2.313
  705   HD23  LEU  85          HD23      LEU  85   5.420   3.520   2.070
  706    H    VAL  86           H        VAL  86   4.510   5.255   3.633
  707    HA   VAL  86           HA       VAL  86   2.585   4.052   5.486
  708    HB   VAL  86           HB       VAL  86   1.176   6.030   5.419
  709   HG11  VAL  86          HG11      VAL  86   4.000   6.657   6.277
  710   HG12  VAL  86          HG12      VAL  86   2.559   7.536   6.786
  711   HG13  VAL  86          HG13      VAL  86   2.765   5.844   7.239
  712   HG21  VAL  86          HG21      VAL  86   1.822   6.930   3.246
  713   HG22  VAL  86          HG22      VAL  86   1.978   8.156   4.505
  714   HG23  VAL  86          HG23      VAL  86   3.414   7.348   3.879
  715    H    MET  87           H        MET  87   0.971   3.061   4.525
  716    HA   MET  87           HA       MET  87   0.525   3.652   1.685
  717    HB2  MET  87           HB2      MET  87   0.529   0.899   2.996
  718    HB3  MET  87           HB3      MET  87   0.005   1.216   1.347
  719    HG2  MET  87           HG2      MET  87   2.247   1.983   0.776
  720    HG3  MET  87           HG3      MET  87   2.774   1.683   2.430
  721    HE1  MET  87           HE1      MET  87   0.295  -0.520   0.323
  722    HE2  MET  87           HE2      MET  87   1.447   0.031  -0.893
  723    HE3  MET  87           HE3      MET  87   1.397  -1.671  -0.432
  724    H    ALA  88           H        ALA  88  -1.777   3.240   1.030
  725    HA   ALA  88           HA       ALA  88  -3.519   3.523   3.373
  726    HB1  ALA  88           HB1      ALA  88  -2.847   5.801   3.020
  727    HB2  ALA  88           HB2      ALA  88  -3.189   5.677   1.293
  728    HB3  ALA  88           HB3      ALA  88  -4.522   5.614   2.458
  729    H    VAL  89           H        VAL  89  -4.853   1.882   2.880
  730    HA   VAL  89           HA       VAL  89  -5.901   1.610   0.225
  731    HB   VAL  89           HB       VAL  89  -7.401   0.526   2.568
  732   HG11  VAL  89          HG11      VAL  89  -6.640  -0.579  -0.135
  733   HG12  VAL  89          HG12      VAL  89  -7.657  -1.397   1.050
  734   HG13  VAL  89          HG13      VAL  89  -8.200   0.110   0.312
  735   HG21  VAL  89          HG21      VAL  89  -5.873  -1.399   2.714
  736   HG22  VAL  89          HG22      VAL  89  -4.752  -0.573   1.632
  737   HG23  VAL  89          HG23      VAL  89  -5.105   0.105   3.222
  738    H    TYR  90           H        TYR  90  -7.263   2.916  -0.591
  739    HA   TYR  90           HA       TYR  90  -8.849   4.715   1.093
  740    HB2  TYR  90           HB2      TYR  90  -6.912   5.894   0.254
  741    HB3  TYR  90           HB3      TYR  90  -7.134   5.232  -1.353
  742    HD1  TYR  90           HD1      TYR  90  -8.366   7.705   1.077
  743    HD2  TYR  90           HD2      TYR  90  -8.612   6.263  -2.918
  744    HE1  TYR  90           HE1      TYR  90  -9.521   9.769   0.408
  745    HE2  TYR  90           HE2      TYR  90  -9.776   8.318  -3.598
  746    HH   TYR  90           HH       TYR  90  -9.915  11.085  -1.610
  747    H    ASP  91           H        ASP  91 -10.955   4.994   0.365
  748    HA   ASP  91           HA       ASP  91 -11.682   2.966  -1.608
  749    HB2  ASP  91           HB2      ASP  91 -12.753   3.044   0.635
  750    HB3  ASP  91           HB3      ASP  91 -13.500   4.576   0.171
  751    H    PHE  92           H        PHE  92 -12.387   3.489  -3.601
  752    HA   PHE  92           HA       PHE  92 -12.786   6.279  -4.267
  753    HB2  PHE  92           HB2      PHE  92 -11.874   4.423  -5.833
  754    HB3  PHE  92           HB3      PHE  92 -13.547   3.899  -5.970
  755    HD1  PHE  92           HD2      PHE  92 -11.171   6.586  -6.738
  756    HD2  PHE  92           HD1      PHE  92 -15.134   5.130  -7.252
  757    HE1  PHE  92           HE2      PHE  92 -11.541   8.233  -8.524
  758    HE2  PHE  92           HE1      PHE  92 -15.510   6.773  -9.043
  759    HZ   PHE  92           HZ       PHE  92 -13.683   8.315  -9.699
  760    H    ASP  93           H        ASP  93 -14.546   7.051  -3.113
  761    HA   ASP  93           HA       ASP  93 -16.734   5.237  -2.550
  762    HB2  ASP  93           HB2      ASP  93 -16.129   8.053  -1.637
  763    HB3  ASP  93           HB3      ASP  93 -17.557   7.140  -1.124
  764    H    ARG  94           H        ARG  94 -16.001   7.175  -5.020
  765    HA   ARG  94           HA       ARG  94 -17.095   7.804  -6.878
  766    HB2  ARG  94           HB2      ARG  94 -19.374   6.231  -5.699
  767    HB3  ARG  94           HB3      ARG  94 -19.211   6.714  -7.384
  768    HG2  ARG  94           HG2      ARG  94 -17.258   5.340  -7.647
  769    HG3  ARG  94           HG3      ARG  94 -17.261   4.945  -5.926
  770    HD2  ARG  94           HD2      ARG  94 -19.414   3.826  -6.184
  771    HD3  ARG  94           HD3      ARG  94 -19.421   4.231  -7.902
  772    HE   ARG  94           HE       ARG  94 -17.187   2.650  -6.853
  773   HH11  ARG  94          HH12      ARG  94 -20.114   2.830  -8.764
  774   HH12  ARG  94          HH11      ARG  94 -19.854   1.295  -9.533
  775   HH21  ARG  94          HH22      ARG  94 -16.817   0.660  -7.859
  776   HH22  ARG  94          HH21      ARG  94 -17.976   0.045  -9.023
  777    H    PHE  95           H        PHE  95 -18.592   8.741  -3.872
  778    HA   PHE  95           HA       PHE  95 -19.683  11.095  -5.122
  779    HB2  PHE  95           HB2      PHE  95 -22.031  10.630  -4.233
  780    HB3  PHE  95           HB3      PHE  95 -21.546   9.757  -5.680
  781    HD1  PHE  95           HD1      PHE  95 -21.077   7.350  -5.576
  782    HD2  PHE  95           HD2      PHE  95 -22.466   9.493  -2.172
  783    HE1  PHE  95           HE1      PHE  95 -21.670   5.226  -4.482
  784    HE2  PHE  95           HE2      PHE  95 -23.064   7.375  -1.078
  785    HZ   PHE  95           HZ       PHE  95 -22.648   5.226  -2.243
  786    H    SER  96           H        SER  96 -19.905   9.097  -2.180
  787    HA   SER  96           HA       SER  96 -20.129  11.339  -0.447
  788    HB2  SER  96           HB2      SER  96 -19.580   9.601   1.325
  789    HB3  SER  96           HB3      SER  96 -20.987   9.233   0.326
  790    HG   SER  96           HG       SER  96 -18.443   8.042   0.359
  791    H    LYS  97           H        LYS  97 -18.447  11.775   1.261
  792    HA   LYS  97           HA       LYS  97 -15.918  12.156   0.036
  793    HB2  LYS  97           HB2      LYS  97 -16.692  12.467   2.948
  794    HB3  LYS  97           HB3      LYS  97 -15.185  13.021   2.229
  795    HG2  LYS  97           HG2      LYS  97 -16.791  14.327   0.621
  796    HG3  LYS  97           HG3      LYS  97 -17.938  14.117   1.946
  797    HD2  LYS  97           HD2      LYS  97 -16.816  16.229   2.216
  798    HD3  LYS  97           HD3      LYS  97 -16.262  15.128   3.481
  799    HE2  LYS  97           HE2      LYS  97 -14.231  14.675   2.251
  800    HE3  LYS  97           HE3      LYS  97 -14.796  15.653   0.897
  801    HZ1  LYS  97           HZ1      LYS  97 -14.185  16.650   3.631
  802    HZ2  LYS  97           HZ2      LYS  97 -14.760  17.597   2.348
  803    HZ3  LYS  97           HZ3      LYS  97 -13.228  16.880   2.248
  804    H    HIS  98           H        HIS  98 -14.337  10.875  -0.084
  805    HA   HIS  98           HA       HIS  98 -14.531   8.176   0.582
  806    HB2  HIS  98           HB2      HIS  98 -11.984   9.631  -0.134
  807    HB3  HIS  98           HB3      HIS  98 -12.367   7.939  -0.411
  808    HD1  HIS  98           HD1      HIS  98 -12.723   7.510  -2.785
  809    HD2  HIS  98           HD2      HIS  98 -14.053  11.293  -1.708
  810    HE1  HIS  98           HE1      HIS  98 -13.544   8.576  -4.920
  811    HE2  HIS  98           HE2      HIS  98 -14.161  10.939  -4.267
  812    H    ASP  99           H        ASP  99 -14.336   7.379   2.506
  813    HA   ASP  99           HA       ASP  99 -12.417   8.461   4.412
  814    HB2  ASP  99           HB2      ASP  99 -14.789   7.621   5.028
  815    HB3  ASP  99           HB3      ASP  99 -14.097   6.009   4.872
  816    H    ILE 100           H        ILE 100 -10.439   7.551   4.766
  817    HA   ILE 100           HA       ILE 100  -9.476   5.532   3.062
  818    HB   ILE 100           HB       ILE 100  -8.444   6.635   5.679
  819   HG12  ILE 100          HG12      ILE 100  -6.582   7.436   4.148
  820   HG13  ILE 100          HG13      ILE 100  -7.592   6.933   2.798
  821   HG21  ILE 100          HG21      ILE 100  -7.717   4.336   5.597
  822   HG22  ILE 100          HG22      ILE 100  -7.118   4.557   3.953
  823   HG23  ILE 100          HG23      ILE 100  -6.352   5.410   5.292
  824   HD11  ILE 100          HD11      ILE 100  -7.772   9.317   3.213
  825   HD12  ILE 100          HD12      ILE 100  -9.314   8.509   3.505
  826   HD13  ILE 100          HD13      ILE 100  -8.304   9.000   4.864
  827    H    ILE 101           H        ILE 101  -9.777   3.464   3.131
  828    HA   ILE 101           HA       ILE 101 -11.417   2.256   5.116
  829    HB   ILE 101           HB       ILE 101 -10.691   0.143   3.613
  830   HG12  ILE 101          HG12      ILE 101 -10.515   2.538   1.776
  831   HG13  ILE 101          HG13      ILE 101  -9.149   1.533   2.245
  832   HG21  ILE 101          HG21      ILE 101 -12.955   0.956   4.035
  833   HG22  ILE 101          HG22      ILE 101 -12.712   2.252   2.864
  834   HG23  ILE 101          HG23      ILE 101 -12.723   0.572   2.329
  835   HD11  ILE 101          HD11      ILE 101 -10.201  -0.385   1.155
  836   HD12  ILE 101          HD12      ILE 101 -11.564   0.637   0.692
  837   HD13  ILE 101          HD13      ILE 101  -9.958   0.957   0.032
  838    H    GLY 102           H        GLY 102  -8.029   2.012   4.169
  839    HA2  GLY 102           HA3      GLY 102  -7.359   1.206   6.836
  840    HA3  GLY 102           HA2      GLY 102  -7.193  -0.109   5.676
  841    H    GLU 103           H        GLU 103  -4.967   0.365   6.786
  842    HA   GLU 103           HA       GLU 103  -3.363   2.098   5.065
  843    HB2  GLU 103           HB2      GLU 103  -4.339   3.577   6.788
  844    HB3  GLU 103           HB3      GLU 103  -3.663   2.555   8.042
  845    HG2  GLU 103           HG2      GLU 103  -1.402   3.120   7.230
  846    HG3  GLU 103           HG3      GLU 103  -2.130   4.219   6.059
  847    H    PHE 104           H        PHE 104  -1.055   1.971   5.667
  848    HA   PHE 104           HA       PHE 104  -0.294  -0.411   7.246
  849    HB2  PHE 104           HB2      PHE 104  -0.148  -1.322   5.096
  850    HB3  PHE 104           HB3      PHE 104   0.257   0.217   4.354
  851    HD1  PHE 104           HD2      PHE 104   2.548   1.018   4.325
  852    HD2  PHE 104           HD1      PHE 104   1.558  -2.755   6.020
  853    HE1  PHE 104           HE2      PHE 104   4.915   0.368   4.235
  854    HE2  PHE 104           HE1      PHE 104   3.929  -3.415   5.928
  855    HZ   PHE 104           HZ       PHE 104   5.608  -1.853   5.036
  856    H    LYS 105           H        LYS 105   1.540  -0.006   8.449
  857    HA   LYS 105           HA       LYS 105   2.911   2.554   7.991
  858    HB2  LYS 105           HB2      LYS 105   1.053   2.593   9.772
  859    HB3  LYS 105           HB3      LYS 105   2.119   1.580  10.732
  860    HG2  LYS 105           HG2      LYS 105   2.360   3.857  11.428
  861    HG3  LYS 105           HG3      LYS 105   3.841   3.352  10.615
  862    HD2  LYS 105           HD2      LYS 105   3.027   5.640   9.997
  863    HD3  LYS 105           HD3      LYS 105   3.249   4.542   8.634
  864    HE2  LYS 105           HE2      LYS 105   1.177   5.790   8.392
  865    HE3  LYS 105           HE3      LYS 105   0.841   4.078   8.624
  866    HZ1  LYS 105           HZ1      LYS 105   0.469   4.631  11.029
  867    HZ2  LYS 105           HZ2      LYS 105  -0.679   5.259   9.951
  868    HZ3  LYS 105           HZ3      LYS 105   0.526   6.271  10.595
  869    H    VAL 106           H        VAL 106   4.946   2.073   7.653
  870    HA   VAL 106           HA       VAL 106   6.411   0.527   9.599
  871    HB   VAL 106           HB       VAL 106   6.260  -0.262   6.683
  872   HG11  VAL 106          HG11      VAL 106   8.463  -0.967   8.624
  873   HG12  VAL 106          HG12      VAL 106   8.254  -1.645   7.008
  874   HG13  VAL 106          HG13      VAL 106   8.623   0.070   7.205
  875   HG21  VAL 106          HG21      VAL 106   6.166  -1.866   9.239
  876   HG22  VAL 106          HG22      VAL 106   4.791  -1.464   8.212
  877   HG23  VAL 106          HG23      VAL 106   6.063  -2.529   7.608
  878    HA   PRO 107           HA       PRO 107   8.856   4.110   8.370
  879    HB2  PRO 107           HB2      PRO 107  10.835   3.724  10.196
  880    HB3  PRO 107           HB3      PRO 107   9.331   4.578  10.567
  881    HG2  PRO 107           HG2      PRO 107  10.097   1.760  11.142
  882    HG3  PRO 107           HG3      PRO 107   9.215   2.901  12.171
  883    HD2  PRO 107           HD2      PRO 107   8.041   0.927  10.746
  884    HD3  PRO 107           HD3      PRO 107   7.217   2.458  11.105
  885    H    MET 108           H        MET 108  10.232   3.971   6.775
  886    HA   MET 108           HA       MET 108  10.824   1.475   5.652
  887    HB2  MET 108           HB2      MET 108  11.972   4.183   4.917
  888    HB3  MET 108           HB3      MET 108  12.016   2.736   3.914
  889    HG2  MET 108           HG2      MET 108   9.408   2.861   4.220
  890    HG3  MET 108           HG3      MET 108   9.760   4.557   4.541
  891    HE1  MET 108           HE1      MET 108  11.560   2.029   2.146
  892    HE2  MET 108           HE2      MET 108   9.849   1.649   1.954
  893    HE3  MET 108           HE3      MET 108  10.750   2.365   0.617
  894    H    ASN 109           H        ASN 109  12.438   3.551   7.771
  895    HA   ASN 109           HA       ASN 109  15.114   2.743   7.247
  896    HB2  ASN 109           HB2      ASN 109  15.396   3.736   9.670
  897    HB3  ASN 109           HB3      ASN 109  15.097   4.787   8.291
  898   HD21  ASN 109          HD21      ASN 109  13.203   5.908   8.149
  899   HD22  ASN 109          HD22      ASN 109  12.041   5.959   9.440
  900    H    THR 110           H        THR 110  12.515   1.234   8.874
  901    HA   THR 110           HA       THR 110  14.291  -0.157  10.738
  902    HB   THR 110           HB       THR 110  11.293  -0.392  10.399
  903    HG1  THR 110           HG1      THR 110  12.876   1.494  11.612
  904   HG21  THR 110          HG21      THR 110  13.109  -1.287  12.640
  905   HG22  THR 110          HG22      THR 110  12.275  -2.339  11.496
  906   HG23  THR 110          HG23      THR 110  11.349  -1.375  12.648
  907    H    VAL 111           H        VAL 111  12.428  -0.692   7.820
  908    HA   VAL 111           HA       VAL 111  13.255  -3.483   7.807
  909    HB   VAL 111           HB       VAL 111  11.470  -2.053   5.836
  910   HG11  VAL 111          HG11      VAL 111  10.932  -4.336   5.059
  911   HG12  VAL 111          HG12      VAL 111  12.629  -3.926   4.810
  912   HG13  VAL 111          HG13      VAL 111  12.162  -4.978   6.147
  913   HG21  VAL 111          HG21      VAL 111  10.467  -2.260   8.070
  914   HG22  VAL 111          HG22      VAL 111   9.647  -3.282   6.887
  915   HG23  VAL 111          HG23      VAL 111  10.774  -3.996   8.038
  916    H    ASP 112           H        ASP 112  15.211  -3.895   7.016
  917    HA   ASP 112           HA       ASP 112  16.456  -2.164   5.092
  918    HB2  ASP 112           HB2      ASP 112  17.222  -4.911   6.096
  919    HB3  ASP 112           HB3      ASP 112  18.190  -3.982   4.961
  920    H    PHE 113           H        PHE 113  15.623  -2.071   3.107
  921    HA   PHE 113           HA       PHE 113  14.642  -4.530   1.856
  922    HB2  PHE 113           HB2      PHE 113  14.352  -1.614   1.139
  923    HB3  PHE 113           HB3      PHE 113  13.928  -2.896   0.015
  924    HD1  PHE 113           HD2      PHE 113  12.210  -4.632   0.830
  925    HD2  PHE 113           HD1      PHE 113  12.793  -0.832   2.657
  926    HE1  PHE 113           HE2      PHE 113   9.958  -4.762   1.811
  927    HE2  PHE 113           HE1      PHE 113  10.542  -0.955   3.639
  928    HZ   PHE 113           HZ       PHE 113   9.120  -2.922   3.215
  929    H    GLY 114           H        GLY 114  17.093  -4.989   2.044
  930    HA2  GLY 114           HA3      GLY 114  18.684  -4.061  -0.165
  931    HA3  GLY 114           HA2      GLY 114  19.039  -5.435   0.882
  932    H    HIS 115           H        HIS 115  16.944  -7.004   0.630
  933    HA   HIS 115           HA       HIS 115  16.897  -7.703  -2.218
  934    HB2  HIS 115           HB2      HIS 115  16.591 -10.075  -1.452
  935    HB3  HIS 115           HB3      HIS 115  18.149  -9.380  -1.030
  936    HD1  HIS 115           HD1      HIS 115  15.838 -11.559   0.352
  937    HD2  HIS 115           HD2      HIS 115  17.778  -8.202   1.850
  938    HE1  HIS 115           HE1      HIS 115  15.728 -11.768   2.854
  939    HE2  HIS 115           HE2      HIS 115  17.114  -9.850   3.726
  940    H    VAL 116           H        VAL 116  14.888  -9.852  -0.999
  941    HA   VAL 116           HA       VAL 116  12.573  -8.074  -1.319
  942    HB   VAL 116           HB       VAL 116  12.728  -9.564  -3.200
  943   HG11  VAL 116          HG11      VAL 116  14.137 -11.288  -2.226
  944   HG12  VAL 116          HG12      VAL 116  12.795 -11.834  -1.220
  945   HG13  VAL 116          HG13      VAL 116  12.706 -11.998  -2.975
  946   HG21  VAL 116          HG21      VAL 116  10.601 -10.790  -3.042
  947   HG22  VAL 116          HG22      VAL 116  10.585 -10.511  -1.302
  948   HG23  VAL 116          HG23      VAL 116  10.473  -9.147  -2.416
  949    H    THR 117           H        THR 117  11.331  -7.816   0.433
  950    HA   THR 117           HA       THR 117  11.373  -9.852   2.533
  951    HB   THR 117           HB       THR 117   9.904  -7.208   2.405
  952    HG1  THR 117           HG1      THR 117  12.397  -8.055   3.438
  953   HG21  THR 117          HG21      THR 117  10.323  -9.127   4.704
  954   HG22  THR 117          HG22      THR 117   8.787  -8.768   3.915
  955   HG23  THR 117          HG23      THR 117   9.619  -7.516   4.840
  956    H    GLU 118           H        GLU 118   9.914 -11.426   2.634
  957    HA   GLU 118           HA       GLU 118   7.411 -11.129   1.076
  958    HB2  GLU 118           HB2      GLU 118   8.874 -13.691   1.746
  959    HB3  GLU 118           HB3      GLU 118   7.426 -13.547   0.761
  960    HG2  GLU 118           HG2      GLU 118   8.606 -12.514  -0.995
  961    HG3  GLU 118           HG3      GLU 118  10.028 -12.252   0.018
  962    H    GLU 119           H        GLU 119   5.689 -10.785   2.423
  963    HA   GLU 119           HA       GLU 119   5.372 -12.650   4.583
  964    HB2  GLU 119           HB2      GLU 119   5.269 -10.956   6.362
  965    HB3  GLU 119           HB3      GLU 119   6.891 -11.183   5.709
  966    HG2  GLU 119           HG2      GLU 119   6.786  -9.154   4.499
  967    HG3  GLU 119           HG3      GLU 119   5.058  -8.980   4.808
  968    H    TRP 120           H        TRP 120   3.509 -12.395   5.740
  969    HA   TRP 120           HA       TRP 120   1.324 -11.160   4.282
  970    HB2  TRP 120           HB2      TRP 120   1.209 -12.651   6.917
  971    HB3  TRP 120           HB3      TRP 120  -0.139 -12.272   5.860
  972    HD1  TRP 120           HD1      TRP 120   0.430 -15.203   6.841
  973    HE1  TRP 120           HE1      TRP 120   0.857 -17.079   5.139
  974    HE3  TRP 120           HE3      TRP 120   1.954 -12.373   2.858
  975    HZ2  TRP 120           HZ2      TRP 120   1.726 -17.330   2.466
  976    HZ3  TRP 120           HZ3      TRP 120   2.548 -13.503   0.769
  977    HH2  TRP 120           HH2      TRP 120   2.446 -15.940   0.576
  978    H    ARG 121           H        ARG 121   1.154  -8.992   4.628
  979    HA   ARG 121           HA       ARG 121   1.792  -8.026   7.332
  980    HB2  ARG 121           HB2      ARG 121   3.293  -7.162   5.621
  981    HB3  ARG 121           HB3      ARG 121   1.925  -6.642   4.649
  982    HG2  ARG 121           HG2      ARG 121   3.022  -4.781   5.833
  983    HG3  ARG 121           HG3      ARG 121   1.322  -4.963   6.253
  984    HD2  ARG 121           HD2      ARG 121   2.623  -4.486   8.237
  985    HD3  ARG 121           HD3      ARG 121   1.974  -6.120   8.323
  986    HE   ARG 121           HE       ARG 121   4.391  -6.604   7.331
  987   HH11  ARG 121          HH12      ARG 121   3.371  -4.580  10.019
  988   HH12  ARG 121          HH11      ARG 121   4.875  -4.759  10.871
  989   HH21  ARG 121          HH22      ARG 121   6.341  -6.844   8.459
  990   HH22  ARG 121          HH21      ARG 121   6.577  -6.029   9.984
  991    H    ASP 122           H        ASP 122   0.382  -6.516   8.296
  992    HA   ASP 122           HA       ASP 122  -2.363  -7.100   7.526
  993    HB2  ASP 122           HB2      ASP 122  -2.860  -6.296   9.875
  994    HB3  ASP 122           HB3      ASP 122  -1.870  -7.749   9.780
  995    H    LEU 123           H        LEU 123  -3.777  -5.540   6.962
  996    HA   LEU 123           HA       LEU 123  -2.584  -2.879   6.549
  997    HB2  LEU 123           HB2      LEU 123  -4.338  -4.576   5.130
  998    HB3  LEU 123           HB3      LEU 123  -5.289  -3.192   5.632
  999    HG   LEU 123           HG       LEU 123  -4.220  -1.772   4.193
 1000   HD11  LEU 123          HD11      LEU 123  -2.024  -1.902   5.206
 1001   HD12  LEU 123          HD12      LEU 123  -1.740  -3.476   4.452
 1002   HD13  LEU 123          HD13      LEU 123  -1.873  -2.029   3.452
 1003   HD21  LEU 123          HD21      LEU 123  -3.619  -4.464   2.966
 1004   HD22  LEU 123          HD22      LEU 123  -5.117  -3.548   2.809
 1005   HD23  LEU 123          HD23      LEU 123  -3.626  -2.930   2.097
 1006    H    GLN 124           H        GLN 124  -2.910  -1.613   8.441
 1007    HA   GLN 124           HA       GLN 124  -5.229  -2.280  10.022
 1008    HB2  GLN 124           HB2      GLN 124  -4.338  -0.668  11.639
 1009    HB3  GLN 124           HB3      GLN 124  -3.072  -1.784  11.135
 1010    HG2  GLN 124           HG2      GLN 124  -2.113  -0.153   9.689
 1011    HG3  GLN 124           HG3      GLN 124  -3.481   0.931   9.937
 1012   HE21  GLN 124          HE21      GLN 124  -2.230   2.579  10.615
 1013   HE22  GLN 124          HE22      GLN 124  -1.422   2.603  12.150
 1014    H    SER 125           H        SER 125  -7.051  -1.093  10.124
 1015    HA   SER 125           HA       SER 125  -7.551   0.661   8.012
 1016    HB2  SER 125           HB2      SER 125  -9.153   0.021  10.470
 1017    HB3  SER 125           HB3      SER 125  -9.696   1.192   9.267
 1018    HG   SER 125           HG       SER 125  -9.649  -0.427   7.712
 1019    H    ALA 126           H        ALA 126  -7.046   2.724   7.827
 1020    HA   ALA 126           HA       ALA 126  -6.474   4.158  10.302
 1021    HB1  ALA 126           HB1      ALA 126  -5.721   5.991   8.840
 1022    HB2  ALA 126           HB2      ALA 126  -4.893   4.478   8.465
 1023    HB3  ALA 126           HB3      ALA 126  -6.199   5.050   7.426
 1024    H    GLU 127           H        GLU 127  -7.916   5.378  11.200
 1025    HA   GLU 127           HA       GLU 127 -10.281   6.202   9.708
 1026    HB2  GLU 127           HB2      GLU 127 -10.380   5.239  12.056
 1027    HB3  GLU 127           HB3      GLU 127  -9.638   6.732  12.612
 1028    HG2  GLU 127           HG2      GLU 127 -11.518   8.009  12.028
 1029    HG3  GLU 127           HG3      GLU 127 -12.197   6.709  11.048
 1030    H    LYS 128           H        LYS 128  -9.273   7.605   8.318
 1031    HA   LYS 128           HA       LYS 128  -7.845   9.901   9.469
 1032    HB2  LYS 128           HB2      LYS 128  -6.631   8.202   7.988
 1033    HB3  LYS 128           HB3      LYS 128  -7.597   8.826   6.661
 1034    HG2  LYS 128           HG2      LYS 128  -6.644  11.085   7.132
 1035    HG3  LYS 128           HG3      LYS 128  -5.566  10.319   8.304
 1036    HD2  LYS 128           HD2      LYS 128  -5.712   9.778   5.337
 1037    HD3  LYS 128           HD3      LYS 128  -4.399  10.569   6.209
 1038    HE2  LYS 128           HE2      LYS 128  -5.271   7.702   6.588
 1039    HE3  LYS 128           HE3      LYS 128  -3.884   8.229   5.640
 1040    HZ1  LYS 128           HZ1      LYS 128  -3.155   7.517   7.795
 1041    HZ2  LYS 128           HZ2      LYS 128  -4.245   8.561   8.571
 1042    HZ3  LYS 128           HZ3      LYS 128  -2.947   9.201   7.683
  Start of MODEL    5
    1    H1   GLU   1           H1       GLU   1  -7.845  -2.654  16.679
    2    H2   GLU   1           H2       GLU   1  -7.522  -0.989  16.677
    3    H3   GLU   1           H3       GLU   1  -6.289  -2.090  16.294
    4    HA   GLU   1           HA       GLU   1  -8.752  -1.624  14.731
    5    HB2  GLU   1           HB2      GLU   1  -7.272  -0.666  13.031
    6    HB3  GLU   1           HB3      GLU   1  -7.227   0.245  14.523
    7    HG2  GLU   1           HG2      GLU   1  -5.157  -1.770  13.699
    8    HG3  GLU   1           HG3      GLU   1  -5.029  -0.037  13.416
    9    H    LYS   2           H        LYS   2  -8.564  -2.614  12.515
   10    HA   LYS   2           HA       LYS   2  -7.058  -4.848  11.943
   11    HB2  LYS   2           HB2      LYS   2  -8.494  -6.695  12.661
   12    HB3  LYS   2           HB3      LYS   2  -7.969  -5.767  14.060
   13    HG2  LYS   2           HG2      LYS   2 -10.570  -5.137  12.771
   14    HG3  LYS   2           HG3      LYS   2 -10.442  -6.533  13.823
   15    HD2  LYS   2           HD2      LYS   2  -9.977  -5.213  15.698
   16    HD3  LYS   2           HD3      LYS   2  -9.540  -3.818  14.705
   17    HE2  LYS   2           HE2      LYS   2 -11.747  -3.545  15.753
   18    HE3  LYS   2           HE3      LYS   2 -11.833  -3.568  13.989
   19    HZ1  LYS   2           HZ1      LYS   2 -12.555  -5.770  15.851
   20    HZ2  LYS   2           HZ2      LYS   2 -12.440  -5.961  14.171
   21    HZ3  LYS   2           HZ3      LYS   2 -13.592  -4.909  14.826
   22    H    LEU   3           H        LEU   3  -7.396  -3.994   9.881
   23    HA   LEU   3           HA       LEU   3 -10.074  -3.817   8.816
   24    HB2  LEU   3           HB2      LEU   3  -7.376  -3.529   7.506
   25    HB3  LEU   3           HB3      LEU   3  -8.907  -3.316   6.675
   26    HG   LEU   3           HG       LEU   3  -7.783  -1.619   8.887
   27   HD11  LEU   3          HD11      LEU   3  -8.408  -1.102   5.994
   28   HD12  LEU   3          HD12      LEU   3  -7.857   0.107   7.154
   29   HD13  LEU   3          HD13      LEU   3  -6.805  -1.241   6.719
   30   HD21  LEU   3          HD21      LEU   3  -9.770  -0.246   8.672
   31   HD22  LEU   3          HD22      LEU   3 -10.441  -1.373   7.487
   32   HD23  LEU   3          HD23      LEU   3 -10.207  -1.886   9.157
   33    H    GLY   4           H        GLY   4  -8.026  -6.384   9.409
   34    HA2  GLY   4           HA3      GLY   4  -7.845  -8.446   8.218
   35    HA3  GLY   4           HA2      GLY   4  -8.525  -7.640   6.799
   36    H    LYS   5           H        LYS   5  -6.696  -8.109   5.395
   37    HA   LYS   5           HA       LYS   5  -4.135  -7.112   6.367
   38    HB2  LYS   5           HB2      LYS   5  -4.354  -9.938   5.333
   39    HB3  LYS   5           HB3      LYS   5  -2.976  -9.167   6.091
   40    HG2  LYS   5           HG2      LYS   5  -5.541  -9.676   7.560
   41    HG3  LYS   5           HG3      LYS   5  -4.236 -10.857   7.478
   42    HD2  LYS   5           HD2      LYS   5  -3.885  -8.039   8.487
   43    HD3  LYS   5           HD3      LYS   5  -4.245  -9.415   9.532
   44    HE2  LYS   5           HE2      LYS   5  -1.852  -9.238   7.705
   45    HE3  LYS   5           HE3      LYS   5  -1.828  -8.818   9.416
   46    HZ1  LYS   5           HZ1      LYS   5  -1.042 -11.016   9.244
   47    HZ2  LYS   5           HZ2      LYS   5  -2.297 -11.487   8.207
   48    HZ3  LYS   5           HZ3      LYS   5  -2.627 -11.146   9.834
   49    H    LEU   6           H        LEU   6  -2.450  -7.493   4.755
   50    HA   LEU   6           HA       LEU   6  -3.261  -7.272   1.935
   51    HB2  LEU   6           HB2      LEU   6  -3.227  -5.060   3.013
   52    HB3  LEU   6           HB3      LEU   6  -1.705  -5.461   3.727
   53    HG   LEU   6           HG       LEU   6  -0.886  -5.468   1.234
   54   HD11  LEU   6          HD11      LEU   6  -3.167  -3.483   1.274
   55   HD12  LEU   6          HD12      LEU   6  -1.978  -3.686  -0.013
   56   HD13  LEU   6          HD13      LEU   6  -3.138  -4.972   0.325
   57   HD21  LEU   6          HD21      LEU   6  -0.015  -3.313   1.761
   58   HD22  LEU   6          HD22      LEU   6  -1.393  -2.936   2.807
   59   HD23  LEU   6          HD23      LEU   6  -0.213  -4.160   3.307
   60    H    GLN   7           H        GLN   7  -2.063  -9.182   1.405
   61    HA   GLN   7           HA       GLN   7   0.511  -9.452   2.822
   62    HB2  GLN   7           HB2      GLN   7  -0.879 -11.651   1.340
   63    HB3  GLN   7           HB3      GLN   7   0.402 -11.797   2.520
   64    HG2  GLN   7           HG2      GLN   7  -1.365 -12.382   3.822
   65    HG3  GLN   7           HG3      GLN   7  -1.342 -10.646   4.109
   66   HE21  GLN   7          HE21      GLN   7  -2.519 -12.317   1.246
   67   HE22  GLN   7          HE22      GLN   7  -4.174 -11.830   1.411
   68    H    TYR   8           H        TYR   8   2.353  -8.814   1.618
   69    HA   TYR   8           HA       TYR   8   2.735 -10.534  -0.547
   70    HB2  TYR   8           HB2      TYR   8   1.552  -8.436  -1.577
   71    HB3  TYR   8           HB3      TYR   8   3.242  -7.929  -1.728
   72    HD1  TYR   8           HD2      TYR   8   1.114 -10.958  -2.278
   73    HD2  TYR   8           HD1      TYR   8   4.438  -8.670  -3.621
   74    HE1  TYR   8           HE2      TYR   8   1.390 -12.486  -4.184
   75    HE2  TYR   8           HE1      TYR   8   4.725 -10.196  -5.524
   76    HH   TYR   8           HH       TYR   8   4.171 -12.469  -6.165
   77    H    SER   9           H        SER   9   4.677  -8.934  -1.938
   78    HA   SER   9           HA       SER   9   6.960  -9.124  -0.152
   79    HB2  SER   9           HB2      SER   9   8.057 -10.887  -1.544
   80    HB3  SER   9           HB3      SER   9   6.655 -11.489  -0.665
   81    HG   SER   9           HG       SER   9   6.402 -10.529  -3.306
   82    H    LEU  10           H        LEU  10   7.266  -7.077  -0.738
   83    HA   LEU  10           HA       LEU  10   7.526  -6.451  -3.573
   84    HB2  LEU  10           HB2      LEU  10   7.344  -4.056  -2.373
   85    HB3  LEU  10           HB3      LEU  10   5.972  -4.977  -2.956
   86    HG   LEU  10           HG       LEU  10   6.292  -5.946  -0.400
   87   HD11  LEU  10          HD11      LEU  10   7.936  -4.218   0.112
   88   HD12  LEU  10          HD12      LEU  10   6.774  -2.975  -0.357
   89   HD13  LEU  10          HD13      LEU  10   6.454  -3.998   1.044
   90   HD21  LEU  10          HD21      LEU  10   4.186  -5.468  -1.419
   91   HD22  LEU  10          HD22      LEU  10   4.290  -4.540   0.079
   92   HD23  LEU  10          HD23      LEU  10   4.552  -3.733  -1.484
   93    H    ASP  11           H        ASP  11   9.377  -5.820  -4.376
   94    HA   ASP  11           HA       ASP  11  11.520  -4.871  -2.723
   95    HB2  ASP  11           HB2      ASP  11  13.081  -6.567  -3.159
   96    HB3  ASP  11           HB3      ASP  11  11.618  -7.479  -2.810
   97    H    TYR  12           H        TYR  12  13.269  -4.085  -4.156
   98    HA   TYR  12           HA       TYR  12  12.886  -4.424  -6.899
   99    HB2  TYR  12           HB2      TYR  12  11.415  -2.364  -6.351
  100    HB3  TYR  12           HB3      TYR  12  12.961  -1.525  -6.514
  101    HD1  TYR  12           HD1      TYR  12  11.307  -4.407  -8.218
  102    HD2  TYR  12           HD2      TYR  12  13.258  -0.659  -8.668
  103    HE1  TYR  12           HE1      TYR  12  11.119  -4.614 -10.660
  104    HE2  TYR  12           HE2      TYR  12  13.071  -0.855 -11.112
  105    HH   TYR  12           HH       TYR  12  11.141  -3.266 -12.636
  106    H    ASP  13           H        ASP  13  14.449  -2.895  -8.129
  107    HA   ASP  13           HA       ASP  13  16.717  -4.530  -7.213
  108    HB2  ASP  13           HB2      ASP  13  16.028  -4.952  -9.508
  109    HB3  ASP  13           HB3      ASP  13  16.109  -3.234  -9.887
  110    H    PHE  14           H        PHE  14  18.348  -3.506  -6.211
  111    HA   PHE  14           HA       PHE  14  17.771  -0.752  -5.708
  112    HB2  PHE  14           HB2      PHE  14  19.393  -0.906  -3.927
  113    HB3  PHE  14           HB3      PHE  14  18.387  -2.348  -3.898
  114    HD1  PHE  14           HD1      PHE  14  19.307  -4.504  -4.702
  115    HD2  PHE  14           HD2      PHE  14  21.728  -1.029  -4.294
  116    HE1  PHE  14           HE1      PHE  14  21.325  -5.907  -4.762
  117    HE2  PHE  14           HE2      PHE  14  23.752  -2.426  -4.356
  118    HZ   PHE  14           HZ       PHE  14  23.553  -4.870  -4.589
  119    H    GLN  15           H        GLN  15  20.010  -2.498  -7.712
  120    HA   GLN  15           HA       GLN  15  21.576  -0.084  -7.995
  121    HB2  GLN  15           HB2      GLN  15  22.893  -1.391  -9.580
  122    HB3  GLN  15           HB3      GLN  15  22.753  -2.185  -8.030
  123    HG2  GLN  15           HG2      GLN  15  22.388  -3.978  -9.359
  124    HG3  GLN  15           HG3      GLN  15  20.729  -3.382  -9.286
  125   HE21  GLN  15          HE21      GLN  15  19.767  -2.627 -11.095
  126   HE22  GLN  15          HE22      GLN  15  20.512  -2.624 -12.665
  127    H    ASN  16           H        ASN  16  18.525  -0.872  -9.293
  128    HA   ASN  16           HA       ASN  16  19.219   1.272 -11.177
  129    HB2  ASN  16           HB2      ASN  16  16.975   1.060 -12.068
  130    HB3  ASN  16           HB3      ASN  16  17.755  -0.507 -12.074
  131   HD21  ASN  16          HD21      ASN  16  15.950  -1.737 -12.042
  132   HD22  ASN  16          HD22      ASN  16  14.841  -1.769 -10.717
  133    H    ASN  17           H        ASN  17  18.400   0.663  -8.106
  134    HA   ASN  17           HA       ASN  17  18.369   1.978  -6.325
  135    HB2  ASN  17           HB2      ASN  17  19.130   3.835  -8.467
  136    HB3  ASN  17           HB3      ASN  17  18.390   4.605  -7.071
  137   HD21  ASN  17          HD21      ASN  17  21.006   2.498  -8.092
  138   HD22  ASN  17          HD22      ASN  17  22.062   2.870  -6.774
  139    H    GLN  18           H        GLN  18  16.039   0.958  -7.163
  140    HA   GLN  18           HA       GLN  18  14.379   2.907  -5.859
  141    HB2  GLN  18           HB2      GLN  18  12.669   2.995  -7.534
  142    HB3  GLN  18           HB3      GLN  18  14.151   3.599  -8.213
  143    HG2  GLN  18           HG2      GLN  18  13.919   2.218  -9.915
  144    HG3  GLN  18           HG3      GLN  18  13.916   0.835  -8.813
  145   HE21  GLN  18          HE21      GLN  18  11.625   1.675  -7.381
  146   HE22  GLN  18          HE22      GLN  18  10.238   1.462  -8.383
  147    H    LEU  19           H        LEU  19  12.802   1.893  -4.729
  148    HA   LEU  19           HA       LEU  19  12.815  -1.007  -4.717
  149    HB2  LEU  19           HB2      LEU  19  12.698   0.824  -2.679
  150    HB3  LEU  19           HB3      LEU  19  11.013   0.373  -2.852
  151    HG   LEU  19           HG       LEU  19  12.959  -1.850  -2.723
  152   HD11  LEU  19          HD11      LEU  19  13.120  -1.678  -0.310
  153   HD12  LEU  19          HD12      LEU  19  13.815  -0.249  -1.082
  154   HD13  LEU  19          HD13      LEU  19  12.217  -0.165  -0.342
  155   HD21  LEU  19          HD21      LEU  19  11.201  -2.873  -1.397
  156   HD22  LEU  19          HD22      LEU  19  10.336  -1.340  -1.301
  157   HD23  LEU  19          HD23      LEU  19  10.481  -2.174  -2.840
  158    H    LEU  20           H        LEU  20  10.745  -2.159  -4.657
  159    HA   LEU  20           HA       LEU  20   8.523  -0.699  -5.986
  160    HB2  LEU  20           HB2      LEU  20  10.069  -2.977  -6.853
  161    HB3  LEU  20           HB3      LEU  20   8.409  -3.465  -6.607
  162    HG   LEU  20           HG       LEU  20   8.895  -2.902  -8.938
  163   HD11  LEU  20          HD11      LEU  20   6.998  -0.938  -7.652
  164   HD12  LEU  20          HD12      LEU  20   6.983  -1.449  -9.339
  165   HD13  LEU  20          HD13      LEU  20   6.615  -2.610  -8.061
  166   HD21  LEU  20          HD21      LEU  20   9.356  -0.115  -7.934
  167   HD22  LEU  20          HD22      LEU  20  10.573  -1.202  -8.603
  168   HD23  LEU  20          HD23      LEU  20   9.261  -0.610  -9.623
  169    H    VAL  21           H        VAL  21   6.438  -1.069  -5.019
  170    HA   VAL  21           HA       VAL  21   6.395  -2.982  -2.796
  171    HB   VAL  21           HB       VAL  21   5.267  -0.176  -2.921
  172   HG11  VAL  21          HG11      VAL  21   4.295  -0.550  -0.714
  173   HG12  VAL  21          HG12      VAL  21   3.586  -1.635  -1.909
  174   HG13  VAL  21          HG13      VAL  21   4.791  -2.242  -0.773
  175   HG21  VAL  21          HG21      VAL  21   7.623  -0.366  -2.299
  176   HG22  VAL  21          HG22      VAL  21   6.642   0.189  -0.942
  177   HG23  VAL  21          HG23      VAL  21   7.194  -1.486  -1.005
  178    H    GLY  22           H        GLY  22   5.604  -4.431  -4.205
  179    HA2  GLY  22           HA3      GLY  22   2.912  -4.155  -5.298
  180    HA3  GLY  22           HA2      GLY  22   4.096  -5.405  -5.668
  181    H    ILE  23           H        ILE  23   1.476  -4.584  -3.607
  182    HA   ILE  23           HA       ILE  23   2.140  -6.879  -1.961
  183    HB   ILE  23           HB       ILE  23   0.030  -6.530  -0.785
  184   HG12  ILE  23          HG12      ILE  23  -1.237  -5.704  -2.831
  185   HG13  ILE  23          HG13      ILE  23  -1.560  -4.846  -1.331
  186   HG21  ILE  23          HG21      ILE  23   1.971  -5.289  -0.054
  187   HG22  ILE  23          HG22      ILE  23   1.591  -3.987  -1.180
  188   HG23  ILE  23          HG23      ILE  23   0.510  -4.325   0.172
  189   HD11  ILE  23          HD11      ILE  23   0.228  -3.900  -3.562
  190   HD12  ILE  23          HD12      ILE  23  -1.399  -3.319  -3.207
  191   HD13  ILE  23          HD13      ILE  23  -0.092  -3.035  -2.059
  192    H    ILE  24           H        ILE  24  -0.566  -8.070  -1.712
  193    HA   ILE  24           HA       ILE  24  -1.140  -8.619  -4.531
  194    HB   ILE  24           HB       ILE  24  -0.365 -10.707  -3.531
  195   HG12  ILE  24          HG12      ILE  24  -3.309 -10.719  -4.205
  196   HG13  ILE  24          HG13      ILE  24  -1.991 -10.705  -5.371
  197   HG21  ILE  24          HG21      ILE  24  -1.732 -11.935  -1.921
  198   HG22  ILE  24          HG22      ILE  24  -1.067 -10.455  -1.233
  199   HG23  ILE  24          HG23      ILE  24  -2.760 -10.515  -1.721
  200   HD11  ILE  24          HD11      ILE  24  -2.914 -12.924  -5.146
  201   HD12  ILE  24          HD12      ILE  24  -1.258 -12.889  -4.543
  202   HD13  ILE  24          HD13      ILE  24  -2.607 -12.900  -3.409
  203    H    GLN  25           H        GLN  25  -2.678  -8.647  -1.357
  204    HA   GLN  25           HA       GLN  25  -4.979  -7.344  -2.472
  205    HB2  GLN  25           HB2      GLN  25  -6.440  -9.253  -1.609
  206    HB3  GLN  25           HB3      GLN  25  -5.644  -9.461  -3.155
  207    HG2  GLN  25           HG2      GLN  25  -5.173 -11.473  -2.312
  208    HG3  GLN  25           HG3      GLN  25  -3.827 -10.610  -1.578
  209   HE21  GLN  25          HE21      GLN  25  -5.526  -9.239   0.318
  210   HE22  GLN  25          HE22      GLN  25  -5.909 -10.407   1.517
  211    H    ALA  26           H        ALA  26  -6.406  -6.709  -1.083
  212    HA   ALA  26           HA       ALA  26  -5.715  -6.857   1.772
  213    HB1  ALA  26           HB1      ALA  26  -5.984  -4.572   0.899
  214    HB2  ALA  26           HB2      ALA  26  -7.596  -4.984   0.314
  215    HB3  ALA  26           HB3      ALA  26  -7.264  -4.965   2.047
  216    H    ALA  27           H        ALA  27  -7.402  -7.608   3.169
  217    HA   ALA  27           HA       ALA  27  -9.527  -9.024   1.703
  218    HB1  ALA  27           HB1      ALA  27  -7.976 -10.140   4.028
  219    HB2  ALA  27           HB2      ALA  27  -9.228 -10.962   3.096
  220    HB3  ALA  27           HB3      ALA  27  -7.695 -10.537   2.333
  221    H    GLU  28           H        GLU  28 -11.453  -8.506   2.283
  222    HA   GLU  28           HA       GLU  28 -13.316  -8.124   3.551
  223    HB2  GLU  28           HB2      GLU  28 -11.678  -9.197   5.848
  224    HB3  GLU  28           HB3      GLU  28 -13.428  -9.079   5.779
  225    HG2  GLU  28           HG2      GLU  28 -13.518 -10.750   4.054
  226    HG3  GLU  28           HG3      GLU  28 -11.755 -10.805   3.975
  227    H    LEU  29           H        LEU  29 -11.872  -5.791   3.206
  228    HA   LEU  29           HA       LEU  29 -11.541  -4.582   5.824
  229    HB2  LEU  29           HB2      LEU  29 -11.506  -3.113   3.189
  230    HB3  LEU  29           HB3      LEU  29 -10.814  -2.601   4.714
  231    HG   LEU  29           HG       LEU  29  -9.675  -4.330   2.615
  232   HD11  LEU  29          HD11      LEU  29  -8.709  -2.203   3.021
  233   HD12  LEU  29          HD12      LEU  29  -8.572  -2.536   4.752
  234   HD13  LEU  29          HD13      LEU  29  -7.583  -3.437   3.602
  235   HD21  LEU  29          HD21      LEU  29  -9.888  -6.036   4.290
  236   HD22  LEU  29          HD22      LEU  29  -8.205  -5.523   4.175
  237   HD23  LEU  29          HD23      LEU  29  -9.204  -4.962   5.518
  238    HA   PRO  30           HA       PRO  30 -15.614  -2.744   6.425
  239    HB2  PRO  30           HB2      PRO  30 -14.243  -0.098   6.478
  240    HB3  PRO  30           HB3      PRO  30 -15.400  -0.793   7.621
  241    HG2  PRO  30           HG2      PRO  30 -12.830  -0.731   8.234
  242    HG3  PRO  30           HG3      PRO  30 -13.798  -2.170   8.607
  243    HD2  PRO  30           HD2      PRO  30 -11.826  -1.732   6.402
  244    HD3  PRO  30           HD3      PRO  30 -12.121  -3.184   7.381
  245    H    ALA  31           H        ALA  31 -17.247  -1.844   5.307
  246    HA   ALA  31           HA       ALA  31 -16.852  -1.388   2.498
  247    HB1  ALA  31           HB1      ALA  31 -19.216  -1.841   2.355
  248    HB2  ALA  31           HB2      ALA  31 -18.442  -3.048   3.381
  249    HB3  ALA  31           HB3      ALA  31 -19.374  -1.739   4.107
  250    H    LEU  32           H        LEU  32 -16.849   0.624   1.579
  251    HA   LEU  32           HA       LEU  32 -18.592   2.666   2.798
  252    HB2  LEU  32           HB2      LEU  32 -16.121   2.788   1.165
  253    HB3  LEU  32           HB3      LEU  32 -17.307   4.053   0.905
  254    HG   LEU  32           HG       LEU  32 -15.500   4.596   2.557
  255   HD11  LEU  32          HD11      LEU  32 -17.128   5.529   4.229
  256   HD12  LEU  32          HD12      LEU  32 -17.489   5.906   2.542
  257   HD13  LEU  32          HD13      LEU  32 -18.397   4.642   3.379
  258   HD21  LEU  32          HD21      LEU  32 -15.839   3.638   4.844
  259   HD22  LEU  32          HD22      LEU  32 -16.957   2.470   4.125
  260   HD23  LEU  32          HD23      LEU  32 -15.258   2.476   3.648
  261    H    ASP  33           H        ASP  33 -19.728   0.517   1.276
  262    HA   ASP  33           HA       ASP  33 -20.944   2.071  -0.873
  263    HB2  ASP  33           HB2      ASP  33 -19.223   1.003  -2.096
  264    HB3  ASP  33           HB3      ASP  33 -19.453  -0.521  -1.248
  265    H    MET  34           H        MET  34 -22.888   1.115  -1.726
  266    HA   MET  34           HA       MET  34 -24.458   0.085   0.475
  267    HB2  MET  34           HB2      MET  34 -26.407   0.640  -0.933
  268    HB3  MET  34           HB3      MET  34 -25.324   2.003  -0.716
  269    HG2  MET  34           HG2      MET  34 -24.352   1.381  -2.992
  270    HG3  MET  34           HG3      MET  34 -25.754   0.335  -3.171
  271    HE1  MET  34           HE1      MET  34 -25.956   4.917  -2.692
  272    HE2  MET  34           HE2      MET  34 -25.509   3.834  -1.373
  273    HE3  MET  34           HE3      MET  34 -24.456   3.996  -2.778
  274    H    GLY  35           H        GLY  35 -23.099  -1.918   0.127
  275    HA2  GLY  35           HA3      GLY  35 -24.867  -3.970  -0.787
  276    HA3  GLY  35           HA2      GLY  35 -23.451  -3.815  -1.827
  277    H    GLY  36           H        GLY  36 -23.259  -2.964   1.484
  278    HA2  GLY  36           HA3      GLY  36 -21.763  -3.601   3.093
  279    HA3  GLY  36           HA2      GLY  36 -22.248  -5.245   2.689
  280    H    THR  37           H        THR  37 -20.669  -2.871   0.665
  281    HA   THR  37           HA       THR  37 -18.197  -4.378   0.717
  282    HB   THR  37           HB       THR  37 -18.146  -4.071  -1.869
  283    HG1  THR  37           HG1      THR  37 -20.084  -2.947  -2.099
  284   HG21  THR  37          HG21      THR  37 -19.136  -6.285  -2.210
  285   HG22  THR  37          HG22      THR  37 -19.890  -6.199  -0.617
  286   HG23  THR  37          HG23      THR  37 -18.132  -6.253  -0.761
  287    H    SER  38           H        SER  38 -16.579  -3.089  -0.606
  288    HA   SER  38           HA       SER  38 -17.195  -0.246  -0.637
  289    HB2  SER  38           HB2      SER  38 -15.338   0.336   0.575
  290    HB3  SER  38           HB3      SER  38 -15.673  -1.226   1.323
  291    HG   SER  38           HG       SER  38 -13.605  -0.425  -0.317
  292    H    ASP  39           H        ASP  39 -15.465   0.881  -2.118
  293    HA   ASP  39           HA       ASP  39 -14.624  -0.999  -4.224
  294    HB2  ASP  39           HB2      ASP  39 -14.966   2.013  -4.360
  295    HB3  ASP  39           HB3      ASP  39 -14.399   1.003  -5.682
  296    HA   PRO  40           HA       PRO  40 -11.036   0.157  -1.469
  297    HB2  PRO  40           HB2      PRO  40  -9.626  -2.165  -1.972
  298    HB3  PRO  40           HB3      PRO  40 -10.754  -1.925  -0.634
  299    HG2  PRO  40           HG2      PRO  40 -11.191  -3.264  -3.265
  300    HG3  PRO  40           HG3      PRO  40 -11.788  -3.709  -1.657
  301    HD2  PRO  40           HD2      PRO  40 -13.374  -2.505  -3.441
  302    HD3  PRO  40           HD3      PRO  40 -13.479  -2.160  -1.697
  303    H    TYR  41           H        TYR  41  -9.145   0.933  -1.880
  304    HA   TYR  41           HA       TYR  41  -7.671   0.536  -4.297
  305    HB2  TYR  41           HB2      TYR  41  -9.107   2.213  -5.181
  306    HB3  TYR  41           HB3      TYR  41  -9.179   3.078  -3.652
  307    HD1  TYR  41           HD2      TYR  41  -7.008   4.233  -2.865
  308    HD2  TYR  41           HD1      TYR  41  -7.640   2.867  -6.835
  309    HE1  TYR  41           HE2      TYR  41  -5.254   5.756  -3.671
  310    HE2  TYR  41           HE1      TYR  41  -5.910   4.379  -7.652
  311    HH   TYR  41           HH       TYR  41  -3.746   5.978  -5.565
  312    H    VAL  42           H        VAL  42  -5.523   0.787  -3.753
  313    HA   VAL  42           HA       VAL  42  -4.976   1.802  -1.057
  314    HB   VAL  42           HB       VAL  42  -3.015   0.346  -2.820
  315   HG11  VAL  42          HG11      VAL  42  -3.200   0.730   0.164
  316   HG12  VAL  42          HG12      VAL  42  -1.948  -0.183  -0.680
  317   HG13  VAL  42          HG13      VAL  42  -2.092   1.556  -0.931
  318   HG21  VAL  42          HG21      VAL  42  -4.930  -0.887  -0.838
  319   HG22  VAL  42          HG22      VAL  42  -4.970  -1.091  -2.590
  320   HG23  VAL  42          HG23      VAL  42  -3.613  -1.725  -1.659
  321    H    LYS  43           H        LYS  43  -4.170   3.802  -0.871
  322    HA   LYS  43           HA       LYS  43  -2.666   4.978  -3.096
  323    HB2  LYS  43           HB2      LYS  43  -3.193   6.218  -0.398
  324    HB3  LYS  43           HB3      LYS  43  -2.663   7.030  -1.859
  325    HG2  LYS  43           HG2      LYS  43  -4.912   6.317  -2.835
  326    HG3  LYS  43           HG3      LYS  43  -5.373   6.004  -1.156
  327    HD2  LYS  43           HD2      LYS  43  -6.033   8.221  -1.527
  328    HD3  LYS  43           HD3      LYS  43  -4.486   8.339  -0.679
  329    HE2  LYS  43           HE2      LYS  43  -3.324   8.729  -2.762
  330    HE3  LYS  43           HE3      LYS  43  -4.822   8.519  -3.668
  331    HZ1  LYS  43           HZ1      LYS  43  -5.722  10.463  -2.521
  332    HZ2  LYS  43           HZ2      LYS  43  -4.327  10.844  -3.401
  333    HZ3  LYS  43           HZ3      LYS  43  -4.245  10.682  -1.713
  334    H    VAL  44           H        VAL  44  -0.567   4.375  -3.160
  335    HA   VAL  44           HA       VAL  44   0.700   3.925  -0.515
  336    HB   VAL  44           HB       VAL  44   1.634   2.878  -3.190
  337   HG11  VAL  44          HG11      VAL  44   2.807   2.467  -0.441
  338   HG12  VAL  44          HG12      VAL  44   3.353   1.690  -1.926
  339   HG13  VAL  44          HG13      VAL  44   3.517   3.435  -1.732
  340   HG21  VAL  44          HG21      VAL  44   0.464   1.485  -0.788
  341   HG22  VAL  44          HG22      VAL  44  -0.309   1.697  -2.360
  342   HG23  VAL  44          HG23      VAL  44   1.125   0.680  -2.213
  343    H    PHE  45           H        PHE  45   2.029   5.335   0.208
  344    HA   PHE  45           HA       PHE  45   3.614   6.928  -1.625
  345    HB2  PHE  45           HB2      PHE  45   2.928   9.040  -0.508
  346    HB3  PHE  45           HB3      PHE  45   1.620   8.275  -1.399
  347    HD1  PHE  45           HD2      PHE  45  -0.227   7.185  -0.199
  348    HD2  PHE  45           HD1      PHE  45   2.823   9.319   1.866
  349    HE1  PHE  45           HE2      PHE  45  -1.652   7.276   1.804
  350    HE2  PHE  45           HE1      PHE  45   1.399   9.415   3.871
  351    HZ   PHE  45           HZ       PHE  45  -0.839   8.393   3.841
  352    H    LEU  46           H        LEU  46   4.962   8.477  -0.267
  353    HA   LEU  46           HA       LEU  46   6.077   6.989   1.993
  354    HB2  LEU  46           HB2      LEU  46   7.302   8.305  -0.348
  355    HB3  LEU  46           HB3      LEU  46   8.144   8.495   1.174
  356    HG   LEU  46           HG       LEU  46   8.545   6.467  -0.582
  357   HD11  LEU  46          HD11      LEU  46  10.021   7.090   1.235
  358   HD12  LEU  46          HD12      LEU  46   8.900   6.399   2.408
  359   HD13  LEU  46          HD13      LEU  46   9.728   5.351   1.258
  360   HD21  LEU  46          HD21      LEU  46   7.668   4.417   0.408
  361   HD22  LEU  46          HD22      LEU  46   6.723   5.373   1.549
  362   HD23  LEU  46          HD23      LEU  46   6.371   5.460  -0.176
  363    H    LEU  47           H        LEU  47   6.808   8.142   3.766
  364    HA   LEU  47           HA       LEU  47   5.598  10.717   4.203
  365    HB2  LEU  47           HB2      LEU  47   5.657   9.190   6.040
  366    HB3  LEU  47           HB3      LEU  47   7.356   8.855   5.808
  367    HG   LEU  47           HG       LEU  47   6.566  11.619   6.618
  368   HD11  LEU  47          HD11      LEU  47   6.555  10.956   8.963
  369   HD12  LEU  47          HD12      LEU  47   5.249  10.162   8.084
  370   HD13  LEU  47          HD13      LEU  47   6.711   9.262   8.497
  371   HD21  LEU  47          HD21      LEU  47   8.689  11.492   7.817
  372   HD22  LEU  47          HD22      LEU  47   8.866   9.802   7.346
  373   HD23  LEU  47          HD23      LEU  47   8.907  11.067   6.119
  374    HA   PRO  48           HA       PRO  48   7.511  14.065   2.760
  375    HB2  PRO  48           HB2      PRO  48   9.720  13.683   4.752
  376    HB3  PRO  48           HB3      PRO  48   9.085  15.195   4.077
  377    HG2  PRO  48           HG2      PRO  48   8.114  13.968   6.385
  378    HG3  PRO  48           HG3      PRO  48   7.223  15.147   5.410
  379    HD2  PRO  48           HD2      PRO  48   6.484  12.458   5.814
  380    HD3  PRO  48           HD3      PRO  48   5.852  13.519   4.531
  381    H    ASP  49           H        ASP  49   8.700  11.126   2.137
  382    HA   ASP  49           HA       ASP  49  10.848  11.998   0.381
  383    HB2  ASP  49           HB2      ASP  49  11.122   9.812   1.267
  384    HB3  ASP  49           HB3      ASP  49   9.443   9.394   0.987
  385    H    LYS  50           H        LYS  50   7.997  10.053  -0.276
  386    HA   LYS  50           HA       LYS  50   6.274  10.156  -1.678
  387    HB2  LYS  50           HB2      LYS  50   6.776  12.984  -1.061
  388    HB3  LYS  50           HB3      LYS  50   5.922  12.709  -2.578
  389    HG2  LYS  50           HG2      LYS  50   5.109  11.730   0.150
  390    HG3  LYS  50           HG3      LYS  50   4.329  12.991  -0.803
  391    HD2  LYS  50           HD2      LYS  50   4.602  10.116  -1.670
  392    HD3  LYS  50           HD3      LYS  50   3.157  10.798  -0.909
  393    HE2  LYS  50           HE2      LYS  50   4.372  11.592  -3.554
  394    HE3  LYS  50           HE3      LYS  50   2.861  10.722  -3.304
  395    HZ1  LYS  50           HZ1      LYS  50   2.006  12.717  -2.149
  396    HZ2  LYS  50           HZ2      LYS  50   2.391  13.004  -3.775
  397    HZ3  LYS  50           HZ3      LYS  50   3.435  13.543  -2.553
  398    H    LYS  51           H        LYS  51   8.686   9.447  -2.592
  399    HA   LYS  51           HA       LYS  51   8.591  10.249  -5.399
  400    HB2  LYS  51           HB2      LYS  51  10.312   8.473  -3.718
  401    HB3  LYS  51           HB3      LYS  51  10.362   8.337  -5.476
  402    HG2  LYS  51           HG2      LYS  51  10.966  10.817  -3.870
  403    HG3  LYS  51           HG3      LYS  51  12.162   9.747  -4.597
  404    HD2  LYS  51           HD2      LYS  51  12.019  11.481  -6.134
  405    HD3  LYS  51           HD3      LYS  51  10.932  10.269  -6.816
  406    HE2  LYS  51           HE2      LYS  51   9.034  11.454  -5.719
  407    HE3  LYS  51           HE3      LYS  51  10.165  12.711  -5.221
  408    HZ1  LYS  51           HZ1      LYS  51   8.943  13.260  -7.263
  409    HZ2  LYS  51           HZ2      LYS  51   9.657  11.931  -8.038
  410    HZ3  LYS  51           HZ3      LYS  51  10.623  13.217  -7.501
  411    H    LYS  52           H        LYS  52   6.170   9.250  -4.400
  412    HA   LYS  52           HA       LYS  52   6.106   6.481  -5.370
  413    HB2  LYS  52           HB2      LYS  52   4.883   7.313  -2.743
  414    HB3  LYS  52           HB3      LYS  52   4.973   5.691  -3.411
  415    HG2  LYS  52           HG2      LYS  52   7.359   7.332  -2.611
  416    HG3  LYS  52           HG3      LYS  52   6.581   6.122  -1.590
  417    HD2  LYS  52           HD2      LYS  52   7.148   4.374  -3.100
  418    HD3  LYS  52           HD3      LYS  52   7.688   5.528  -4.323
  419    HE2  LYS  52           HE2      LYS  52   8.951   5.143  -1.612
  420    HE3  LYS  52           HE3      LYS  52   9.567   4.465  -3.120
  421    HZ1  LYS  52           HZ1      LYS  52   9.665   6.821  -3.943
  422    HZ2  LYS  52           HZ2      LYS  52  10.775   6.419  -2.741
  423    HZ3  LYS  52           HZ3      LYS  52   9.404   7.327  -2.344
  424    H    LYS  53           H        LYS  53   4.907   7.561  -7.166
  425    HA   LYS  53           HA       LYS  53   2.109   7.974  -6.528
  426    HB2  LYS  53           HB2      LYS  53   3.582   7.564  -9.133
  427    HB3  LYS  53           HB3      LYS  53   1.835   7.698  -9.043
  428    HG2  LYS  53           HG2      LYS  53   3.733   9.818  -8.078
  429    HG3  LYS  53           HG3      LYS  53   3.014   9.787  -9.688
  430    HD2  LYS  53           HD2      LYS  53   0.762   9.688  -8.486
  431    HD3  LYS  53           HD3      LYS  53   1.654  10.151  -7.034
  432    HE2  LYS  53           HE2      LYS  53   2.518  12.126  -8.255
  433    HE3  LYS  53           HE3      LYS  53   1.507  11.680  -9.628
  434    HZ1  LYS  53           HZ1      LYS  53   0.597  12.481  -6.922
  435    HZ2  LYS  53           HZ2      LYS  53  -0.438  11.872  -8.120
  436    HZ3  LYS  53           HZ3      LYS  53   0.386  13.335  -8.372
  437    H    PHE  54           H        PHE  54   1.401   6.062  -5.442
  438    HA   PHE  54           HA       PHE  54   1.361   3.719  -7.215
  439    HB2  PHE  54           HB2      PHE  54   2.147   3.310  -4.913
  440    HB3  PHE  54           HB3      PHE  54   0.646   3.965  -4.285
  441    HD1  PHE  54           HD2      PHE  54  -1.531   2.705  -4.987
  442    HD2  PHE  54           HD1      PHE  54   2.371   1.041  -5.228
  443    HE1  PHE  54           HE2      PHE  54  -2.493   0.447  -4.962
  444    HE2  PHE  54           HE1      PHE  54   1.414  -1.221  -5.197
  445    HZ   PHE  54           HZ       PHE  54  -1.025  -1.522  -5.067
  446    H    GLU  55           H        GLU  55  -0.633   2.819  -7.784
  447    HA   GLU  55           HA       GLU  55  -3.089   4.210  -7.106
  448    HB2  GLU  55           HB2      GLU  55  -1.897   5.472  -9.005
  449    HB3  GLU  55           HB3      GLU  55  -2.183   4.052  -9.992
  450    HG2  GLU  55           HG2      GLU  55  -3.989   5.249 -10.608
  451    HG3  GLU  55           HG3      GLU  55  -4.679   4.474  -9.182
  452    H    THR  56           H        THR  56  -4.101   2.334  -6.495
  453    HA   THR  56           HA       THR  56  -3.922  -0.084  -8.041
  454    HB   THR  56           HB       THR  56  -6.109  -0.486  -6.509
  455    HG1  THR  56           HG1      THR  56  -5.977   1.714  -5.781
  456   HG21  THR  56          HG21      THR  56  -3.274  -0.525  -5.473
  457   HG22  THR  56          HG22      THR  56  -4.033  -1.800  -6.425
  458   HG23  THR  56          HG23      THR  56  -4.636  -1.426  -4.810
  459    H    LYS  57           H        LYS  57  -5.583  -1.059  -9.260
  460    HA   LYS  57           HA       LYS  57  -7.565   0.530 -10.522
  461    HB2  LYS  57           HB2      LYS  57  -6.892  -1.562 -11.526
  462    HB3  LYS  57           HB3      LYS  57  -7.329  -2.455 -10.079
  463    HG2  LYS  57           HG2      LYS  57  -8.958  -2.822 -11.814
  464    HG3  LYS  57           HG3      LYS  57  -9.690  -1.927 -10.483
  465    HD2  LYS  57           HD2      LYS  57  -9.474   0.147 -11.729
  466    HD3  LYS  57           HD3      LYS  57  -8.659  -0.708 -13.042
  467    HE2  LYS  57           HE2      LYS  57 -10.662  -2.048 -13.417
  468    HE3  LYS  57           HE3      LYS  57 -11.477  -1.210 -12.097
  469    HZ1  LYS  57           HZ1      LYS  57 -11.389   0.827 -13.314
  470    HZ2  LYS  57           HZ2      LYS  57 -12.050  -0.355 -14.332
  471    HZ3  LYS  57           HZ3      LYS  57 -10.435   0.132 -14.530
  472    H    VAL  58           H        VAL  58  -9.692   0.935  -9.914
  473    HA   VAL  58           HA       VAL  58 -10.294   0.618  -7.125
  474    HB   VAL  58           HB       VAL  58 -12.072   1.632  -9.359
  475   HG11  VAL  58          HG11      VAL  58 -13.344   0.932  -7.402
  476   HG12  VAL  58          HG12      VAL  58 -12.324   1.936  -6.370
  477   HG13  VAL  58          HG13      VAL  58 -13.368   2.687  -7.578
  478   HG21  VAL  58          HG21      VAL  58 -10.044   2.971  -9.145
  479   HG22  VAL  58          HG22      VAL  58 -11.456   3.870  -8.590
  480   HG23  VAL  58          HG23      VAL  58 -10.343   3.163  -7.418
  481    H    HIS  59           H        HIS  59 -11.395  -0.995  -6.204
  482    HA   HIS  59           HA       HIS  59 -12.191  -3.166  -8.024
  483    HB2  HIS  59           HB2      HIS  59 -11.550  -3.341  -5.066
  484    HB3  HIS  59           HB3      HIS  59 -11.765  -4.687  -6.182
  485    HD1  HIS  59           HD1      HIS  59  -9.228  -2.512  -4.759
  486    HD2  HIS  59           HD2      HIS  59  -9.623  -4.783  -8.214
  487    HE1  HIS  59           HE1      HIS  59  -6.891  -2.812  -5.637
  488    HE2  HIS  59           HE2      HIS  59  -7.187  -3.969  -7.852
  489    H    ARG  60           H        ARG  60 -14.254  -2.507  -8.453
  490    HA   ARG  60           HA       ARG  60 -15.846  -1.306  -6.422
  491    HB2  ARG  60           HB2      ARG  60 -17.393  -0.741  -8.069
  492    HB3  ARG  60           HB3      ARG  60 -15.852  -0.702  -8.903
  493    HG2  ARG  60           HG2      ARG  60 -17.805  -2.990  -9.025
  494    HG3  ARG  60           HG3      ARG  60 -17.692  -1.701 -10.220
  495    HD2  ARG  60           HD2      ARG  60 -15.379  -2.366 -10.701
  496    HD3  ARG  60           HD3      ARG  60 -15.515  -3.663  -9.512
  497    HE   ARG  60           HE       ARG  60 -17.154  -3.530 -11.957
  498   HH11  ARG  60          HH12      ARG  60 -15.260  -5.298  -9.609
  499   HH12  ARG  60          HH11      ARG  60 -15.595  -6.854 -10.308
  500   HH21  ARG  60          HH22      ARG  60 -17.552  -5.555 -12.928
  501   HH22  ARG  60          HH21      ARG  60 -16.900  -7.001 -12.207
  502    H    LYS  61           H        LYS  61 -17.140  -2.119  -5.090
  503    HA   LYS  61           HA       LYS  61 -18.613  -3.401  -3.984
  504    HB2  LYS  61           HB2      LYS  61 -19.334  -4.862  -6.508
  505    HB3  LYS  61           HB3      LYS  61 -20.357  -4.433  -5.142
  506    HG2  LYS  61           HG2      LYS  61 -19.373  -2.680  -7.370
  507    HG3  LYS  61           HG3      LYS  61 -21.034  -3.009  -6.870
  508    HD2  LYS  61           HD2      LYS  61 -20.849  -1.644  -4.973
  509    HD3  LYS  61           HD3      LYS  61 -19.086  -1.637  -5.045
  510    HE2  LYS  61           HE2      LYS  61 -19.429  -0.460  -7.324
  511    HE3  LYS  61           HE3      LYS  61 -21.055  -0.129  -6.722
  512    HZ1  LYS  61           HZ1      LYS  61 -19.937   0.826  -4.706
  513    HZ2  LYS  61           HZ2      LYS  61 -19.723   1.706  -6.129
  514    HZ3  LYS  61           HZ3      LYS  61 -18.468   0.730  -5.547
  515    H    THR  62           H        THR  62 -16.088  -4.139  -3.851
  516    HA   THR  62           HA       THR  62 -16.409  -6.801  -2.865
  517    HB   THR  62           HB       THR  62 -15.596  -7.900  -4.683
  518    HG1  THR  62           HG1      THR  62 -13.150  -6.590  -4.100
  519   HG21  THR  62          HG21      THR  62 -15.871  -5.972  -6.174
  520   HG22  THR  62          HG22      THR  62 -14.396  -6.864  -6.549
  521   HG23  THR  62          HG23      THR  62 -14.307  -5.346  -5.656
  522    H    LEU  63           H        LEU  63 -15.456  -6.691  -0.930
  523    HA   LEU  63           HA       LEU  63 -13.334  -4.718  -0.530
  524    HB2  LEU  63           HB2      LEU  63 -15.387  -5.931   1.149
  525    HB3  LEU  63           HB3      LEU  63 -13.832  -5.701   1.937
  526    HG   LEU  63           HG       LEU  63 -15.027  -3.465   0.382
  527   HD11  LEU  63          HD11      LEU  63 -16.185  -2.719   2.395
  528   HD12  LEU  63          HD12      LEU  63 -16.821  -4.254   1.805
  529   HD13  LEU  63          HD13      LEU  63 -15.742  -4.225   3.199
  530   HD21  LEU  63          HD21      LEU  63 -12.734  -3.262   1.166
  531   HD22  LEU  63          HD22      LEU  63 -13.780  -2.136   2.033
  532   HD23  LEU  63          HD23      LEU  63 -13.247  -3.628   2.811
  533    H    ASN  64           H        ASN  64 -13.441  -7.865  -1.279
  534    HA   ASN  64           HA       ASN  64 -10.827  -8.289  -0.023
  535    HB2  ASN  64           HB2      ASN  64 -12.908  -9.737   0.745
  536    HB3  ASN  64           HB3      ASN  64 -12.563 -10.615  -0.740
  537   HD21  ASN  64          HD21      ASN  64  -9.658 -10.073  -0.504
  538   HD22  ASN  64          HD22      ASN  64  -9.113 -11.166   0.712
  539    HA   PRO  65           HA       PRO  65 -10.464  -8.660  -4.559
  540    HB2  PRO  65           HB2      PRO  65  -9.239  -6.269  -4.965
  541    HB3  PRO  65           HB3      PRO  65 -10.991  -6.413  -4.800
  542    HG2  PRO  65           HG2      PRO  65  -9.112  -5.143  -2.978
  543    HG3  PRO  65           HG3      PRO  65 -10.868  -5.186  -2.903
  544    HD2  PRO  65           HD2      PRO  65  -8.933  -6.884  -1.511
  545    HD3  PRO  65           HD3      PRO  65 -10.619  -6.505  -1.097
  546    H    VAL  66           H        VAL  66  -8.619  -9.340  -5.711
  547    HA   VAL  66           HA       VAL  66  -6.074  -8.894  -4.320
  548    HB   VAL  66           HB       VAL  66  -5.290 -11.048  -4.513
  549   HG11  VAL  66          HG11      VAL  66  -7.150 -11.015  -2.936
  550   HG12  VAL  66          HG12      VAL  66  -8.269 -11.485  -4.216
  551   HG13  VAL  66          HG13      VAL  66  -6.998 -12.597  -3.701
  552   HG21  VAL  66          HG21      VAL  66  -6.161 -12.812  -5.982
  553   HG22  VAL  66          HG22      VAL  66  -7.382 -11.701  -6.606
  554   HG23  VAL  66          HG23      VAL  66  -5.672 -11.392  -6.906
  555    H    PHE  67           H        PHE  67  -5.129  -7.452  -5.475
  556    HA   PHE  67           HA       PHE  67  -5.254  -7.700  -8.368
  557    HB2  PHE  67           HB2      PHE  67  -5.466  -5.449  -7.076
  558    HB3  PHE  67           HB3      PHE  67  -3.700  -5.499  -7.093
  559    HD1  PHE  67           HD1      PHE  67  -2.560  -5.873  -9.369
  560    HD2  PHE  67           HD2      PHE  67  -6.626  -4.701  -8.941
  561    HE1  PHE  67           HE1      PHE  67  -2.577  -5.094 -11.702
  562    HE2  PHE  67           HE2      PHE  67  -6.647  -3.912 -11.268
  563    HZ   PHE  67           HZ       PHE  67  -4.625  -4.112 -12.653
  564    H    ASN  68           H        ASN  68  -2.842  -7.892  -5.796
  565    HA   ASN  68           HA       ASN  68  -0.593  -8.113  -5.801
  566    HB2  ASN  68           HB2      ASN  68  -1.077 -10.341  -6.700
  567    HB3  ASN  68           HB3      ASN  68  -1.134  -9.691  -8.334
  568   HD21  ASN  68          HD21      ASN  68   0.487 -11.033  -9.047
  569   HD22  ASN  68          HD22      ASN  68   2.143 -10.818  -8.594
  570    H    GLU  69           H        GLU  69  -0.432  -5.871  -6.108
  571    HA   GLU  69           HA       GLU  69   0.126  -4.973  -8.855
  572    HB2  GLU  69           HB2      GLU  69  -2.164  -4.387  -8.058
  573    HB3  GLU  69           HB3      GLU  69  -1.442  -3.476  -6.744
  574    HG2  GLU  69           HG2      GLU  69  -0.860  -1.748  -8.078
  575    HG3  GLU  69           HG3      GLU  69  -0.595  -2.776  -9.486
  576    H    GLN  70           H        GLN  70   2.253  -4.652  -8.807
  577    HA   GLN  70           HA       GLN  70   3.695  -3.482  -6.603
  578    HB2  GLN  70           HB2      GLN  70   4.260  -4.426  -9.361
  579    HB3  GLN  70           HB3      GLN  70   5.484  -3.511  -8.517
  580    HG2  GLN  70           HG2      GLN  70   4.301  -6.052  -7.455
  581    HG3  GLN  70           HG3      GLN  70   5.682  -6.026  -8.550
  582   HE21  GLN  70          HE21      GLN  70   6.279  -3.308  -7.084
  583   HE22  GLN  70          HE22      GLN  70   7.170  -3.883  -5.706
  584    H    PHE  71           H        PHE  71   3.106  -1.206  -6.398
  585    HA   PHE  71           HA       PHE  71   4.517   0.280  -8.494
  586    HB2  PHE  71           HB2      PHE  71   2.028   1.182  -7.054
  587    HB3  PHE  71           HB3      PHE  71   3.115   2.307  -7.858
  588    HD1  PHE  71           HD1      PHE  71   3.355   2.276 -10.288
  589    HD2  PHE  71           HD2      PHE  71   0.566  -0.242  -8.297
  590    HE1  PHE  71           HE1      PHE  71   2.201   1.877 -12.423
  591    HE2  PHE  71           HE2      PHE  71  -0.596  -0.643 -10.426
  592    HZ   PHE  71           HZ       PHE  71   0.222   0.414 -12.493
  593    H    THR  72           H        THR  72   6.505   0.581  -7.491
  594    HA   THR  72           HA       THR  72   6.392   2.872  -5.771
  595    HB   THR  72           HB       THR  72   7.153   0.268  -4.525
  596    HG1  THR  72           HG1      THR  72   5.172   1.510  -4.095
  597   HG21  THR  72          HG21      THR  72   8.455   1.400  -2.780
  598   HG22  THR  72          HG22      THR  72   8.360   2.910  -3.687
  599   HG23  THR  72          HG23      THR  72   9.240   1.535  -4.354
  600    H    PHE  73           H        PHE  73   8.287   4.151  -5.980
  601    HA   PHE  73           HA       PHE  73  10.744   2.774  -6.824
  602    HB2  PHE  73           HB2      PHE  73  10.305   5.740  -7.136
  603    HB3  PHE  73           HB3      PHE  73  11.477   4.718  -7.953
  604    HD1  PHE  73           HD2      PHE  73   7.930   5.685  -7.810
  605    HD2  PHE  73           HD1      PHE  73  10.940   3.600  -9.979
  606    HE1  PHE  73           HE2      PHE  73   6.404   5.482  -9.728
  607    HE2  PHE  73           HE1      PHE  73   9.416   3.388 -11.894
  608    HZ   PHE  73           HZ       PHE  73   7.184   4.419 -11.811
  609    H    LYS  74           H        LYS  74  10.967   2.385  -4.363
  610    HA   LYS  74           HA       LYS  74  12.049   4.726  -2.991
  611    HB2  LYS  74           HB2      LYS  74  10.484   3.354  -1.713
  612    HB3  LYS  74           HB3      LYS  74  11.557   1.971  -1.872
  613    HG2  LYS  74           HG2      LYS  74  11.815   2.939   0.316
  614    HG3  LYS  74           HG3      LYS  74  13.288   3.201  -0.612
  615    HD2  LYS  74           HD2      LYS  74  11.352   5.387  -0.844
  616    HD3  LYS  74           HD3      LYS  74  11.923   5.122   0.803
  617    HE2  LYS  74           HE2      LYS  74  14.264   5.206  -0.076
  618    HE3  LYS  74           HE3      LYS  74  13.604   5.661  -1.646
  619    HZ1  LYS  74           HZ1      LYS  74  12.675   7.667  -0.655
  620    HZ2  LYS  74           HZ2      LYS  74  14.338   7.594  -0.354
  621    HZ3  LYS  74           HZ3      LYS  74  13.246   7.205   0.870
  622    H    VAL  75           H        VAL  75  14.204   5.088  -3.135
  623    HA   VAL  75           HA       VAL  75  15.870   2.968  -4.107
  624    HB   VAL  75           HB       VAL  75  16.730   4.523  -5.467
  625   HG11  VAL  75          HG11      VAL  75  14.448   5.347  -5.489
  626   HG12  VAL  75          HG12      VAL  75  14.807   6.428  -4.143
  627   HG13  VAL  75          HG13      VAL  75  15.593   6.671  -5.704
  628   HG21  VAL  75          HG21      VAL  75  17.832   6.562  -4.724
  629   HG22  VAL  75          HG22      VAL  75  17.153   6.353  -3.109
  630   HG23  VAL  75          HG23      VAL  75  18.317   5.185  -3.734
  631    HA   PRO  76           HA       PRO  76  18.349   1.290  -1.397
  632    HB2  PRO  76           HB2      PRO  76  20.483   3.221  -2.269
  633    HB3  PRO  76           HB3      PRO  76  20.648   1.508  -1.840
  634    HG2  PRO  76           HG2      PRO  76  20.343   2.206  -4.391
  635    HG3  PRO  76           HG3      PRO  76  19.502   0.788  -3.734
  636    HD2  PRO  76           HD2      PRO  76  18.427   3.394  -4.546
  637    HD3  PRO  76           HD3      PRO  76  17.590   1.840  -4.374
  638    H    TYR  77           H        TYR  77  19.836   1.415   0.444
  639    HA   TYR  77           HA       TYR  77  18.265   2.509   2.421
  640    HB2  TYR  77           HB2      TYR  77  20.328   1.965   3.927
  641    HB3  TYR  77           HB3      TYR  77  19.433   0.668   3.150
  642    HD1  TYR  77           HD2      TYR  77  20.403  -0.330   1.001
  643    HD2  TYR  77           HD1      TYR  77  22.628   2.246   3.554
  644    HE1  TYR  77           HE2      TYR  77  22.494  -1.130  -0.017
  645    HE2  TYR  77           HE1      TYR  77  24.721   1.453   2.542
  646    HH   TYR  77           HH       TYR  77  24.894  -0.139  -0.318
  647    H    SER  78           H        SER  78  21.111   3.885   0.888
  648    HA   SER  78           HA       SER  78  21.635   5.957   2.705
  649    HB2  SER  78           HB2      SER  78  23.084   5.425   0.784
  650    HB3  SER  78           HB3      SER  78  21.834   5.986  -0.322
  651    HG   SER  78           HG       SER  78  22.921   7.667   1.690
  652    H    GLU  79           H        GLU  79  19.189   5.736   0.076
  653    HA   GLU  79           HA       GLU  79  18.182   8.394   0.771
  654    HB2  GLU  79           HB2      GLU  79  18.333   8.024  -1.552
  655    HB3  GLU  79           HB3      GLU  79  17.636   6.418  -1.435
  656    HG2  GLU  79           HG2      GLU  79  16.139   8.062  -2.475
  657    HG3  GLU  79           HG3      GLU  79  15.460   7.336  -1.021
  658    H    LEU  80           H        LEU  80  17.440   5.031   1.142
  659    HA   LEU  80           HA       LEU  80  14.697   5.272   1.744
  660    HB2  LEU  80           HB2      LEU  80  15.141   3.187   1.023
  661    HB3  LEU  80           HB3      LEU  80  16.762   3.186   1.675
  662    HG   LEU  80           HG       LEU  80  14.543   2.947   3.638
  663   HD11  LEU  80          HD11      LEU  80  14.353   0.541   3.221
  664   HD12  LEU  80          HD12      LEU  80  13.779   1.486   1.846
  665   HD13  LEU  80          HD13      LEU  80  15.364   0.712   1.785
  666   HD21  LEU  80          HD21      LEU  80  16.862   2.949   4.371
  667   HD22  LEU  80          HD22      LEU  80  16.133   1.366   4.650
  668   HD23  LEU  80          HD23      LEU  80  17.224   1.606   3.286
  669    H    GLY  81           H        GLY  81  17.580   5.389   3.728
  670    HA2  GLY  81           HA3      GLY  81  16.702   4.379   6.113
  671    HA3  GLY  81           HA2      GLY  81  17.904   5.644   5.972
  672    H    GLY  82           H        GLY  82  16.488   7.860   5.271
  673    HA2  GLY  82           HA3      GLY  82  15.185   8.524   7.712
  674    HA3  GLY  82           HA2      GLY  82  15.288   9.542   6.285
  675    H    LYS  83           H        LYS  83  13.983   7.251   4.738
  676    HA   LYS  83           HA       LYS  83  11.545   8.812   4.910
  677    HB2  LYS  83           HB2      LYS  83  12.440   6.860   2.792
  678    HB3  LYS  83           HB3      LYS  83  11.090   7.983   2.673
  679    HG2  LYS  83           HG2      LYS  83  14.007   8.701   2.905
  680    HG3  LYS  83           HG3      LYS  83  12.989   8.859   1.472
  681    HD2  LYS  83           HD2      LYS  83  11.637  10.535   2.549
  682    HD3  LYS  83           HD3      LYS  83  12.484  10.294   4.077
  683    HE2  LYS  83           HE2      LYS  83  13.289  12.302   3.001
  684    HE3  LYS  83           HE3      LYS  83  14.562  11.086   3.025
  685    HZ1  LYS  83           HZ1      LYS  83  14.120  10.578   0.724
  686    HZ2  LYS  83           HZ2      LYS  83  14.409  12.239   0.893
  687    HZ3  LYS  83           HZ3      LYS  83  12.828  11.676   0.691
  688    H    THR  84           H        THR  84   9.444   7.921   4.856
  689    HA   THR  84           HA       THR  84   9.340   5.235   6.054
  690    HB   THR  84           HB       THR  84   7.655   7.672   6.612
  691    HG1  THR  84           HG1      THR  84   9.675   6.231   7.637
  692   HG21  THR  84          HG21      THR  84   7.236   4.835   7.610
  693   HG22  THR  84          HG22      THR  84   6.171   5.686   6.492
  694   HG23  THR  84          HG23      THR  84   6.350   6.265   8.148
  695    H    LEU  85           H        LEU  85   8.192   3.711   5.032
  696    HA   LEU  85           HA       LEU  85   6.433   4.786   2.958
  697    HB2  LEU  85           HB2      LEU  85   6.940   3.008   1.718
  698    HB3  LEU  85           HB3      LEU  85   8.140   2.577   2.914
  699    HG   LEU  85           HG       LEU  85   5.375   1.639   3.390
  700   HD11  LEU  85          HD11      LEU  85   7.201   0.452   1.299
  701   HD12  LEU  85          HD12      LEU  85   5.710  -0.278   1.896
  702   HD13  LEU  85          HD13      LEU  85   5.651   1.237   0.996
  703   HD21  LEU  85          HD21      LEU  85   8.105   0.404   3.668
  704   HD22  LEU  85          HD22      LEU  85   7.156   1.146   4.958
  705   HD23  LEU  85          HD23      LEU  85   6.586  -0.332   4.180
  706    H    VAL  86           H        VAL  86   4.615   5.329   3.853
  707    HA   VAL  86           HA       VAL  86   3.125   3.164   5.131
  708    HB   VAL  86           HB       VAL  86   1.485   4.753   5.990
  709   HG11  VAL  86          HG11      VAL  86   2.885   5.703   7.777
  710   HG12  VAL  86          HG12      VAL  86   3.317   4.031   7.420
  711   HG13  VAL  86          HG13      VAL  86   4.330   5.348   6.831
  712   HG21  VAL  86          HG21      VAL  86   1.787   6.558   4.364
  713   HG22  VAL  86          HG22      VAL  86   1.973   7.164   6.011
  714   HG23  VAL  86          HG23      VAL  86   3.396   6.887   5.007
  715    H    MET  87           H        MET  87   1.346   2.372   4.162
  716    HA   MET  87           HA       MET  87   0.491   3.750   1.695
  717    HB2  MET  87           HB2      MET  87   0.126   1.623   0.621
  718    HB3  MET  87           HB3      MET  87   1.760   1.631   1.267
  719    HG2  MET  87           HG2      MET  87   0.846   0.373   3.253
  720    HG3  MET  87           HG3      MET  87  -0.641   0.181   2.329
  721    HE1  MET  87           HE1      MET  87   0.474  -2.052  -0.660
  722    HE2  MET  87           HE2      MET  87  -0.889  -1.329   0.194
  723    HE3  MET  87           HE3      MET  87   0.285  -0.299  -0.628
  724    H    ALA  88           H        ALA  88  -1.810   3.674   1.262
  725    HA   ALA  88           HA       ALA  88  -3.366   3.175   3.707
  726    HB1  ALA  88           HB1      ALA  88  -4.382   5.418   3.478
  727    HB2  ALA  88           HB2      ALA  88  -2.649   5.478   3.815
  728    HB3  ALA  88           HB3      ALA  88  -3.238   5.772   2.180
  729    H    VAL  89           H        VAL  89  -5.013   1.894   3.141
  730    HA   VAL  89           HA       VAL  89  -6.041   1.879   0.464
  731    HB   VAL  89           HB       VAL  89  -7.811   0.334   1.402
  732   HG11  VAL  89          HG11      VAL  89  -4.930  -0.423   1.879
  733   HG12  VAL  89          HG12      VAL  89  -6.274  -1.541   1.647
  734   HG13  VAL  89          HG13      VAL  89  -5.771  -0.481   0.330
  735   HG21  VAL  89          HG21      VAL  89  -7.793   1.100   3.713
  736   HG22  VAL  89          HG22      VAL  89  -7.407  -0.618   3.622
  737   HG23  VAL  89          HG23      VAL  89  -6.123   0.559   3.894
  738    H    TYR  90           H        TYR  90  -7.422   3.214  -0.335
  739    HA   TYR  90           HA       TYR  90  -9.066   4.903   1.429
  740    HB2  TYR  90           HB2      TYR  90  -7.065   5.927   0.113
  741    HB3  TYR  90           HB3      TYR  90  -8.040   5.652  -1.319
  742    HD1  TYR  90           HD2      TYR  90 -10.637   6.565  -0.833
  743    HD2  TYR  90           HD1      TYR  90  -7.020   8.095   0.793
  744    HE1  TYR  90           HE2      TYR  90 -11.713   8.745  -0.497
  745    HE2  TYR  90           HE1      TYR  90  -8.088  10.282   1.134
  746    HH   TYR  90           HH       TYR  90 -11.451  10.735   0.908
  747    H    ASP  91           H        ASP  91 -11.241   4.875   0.927
  748    HA   ASP  91           HA       ASP  91 -11.953   3.013  -1.208
  749    HB2  ASP  91           HB2      ASP  91 -12.770   2.947   1.269
  750    HB3  ASP  91           HB3      ASP  91 -14.008   4.052   0.643
  751    H    PHE  92           H        PHE  92 -12.696   3.666  -3.076
  752    HA   PHE  92           HA       PHE  92 -13.696   6.383  -3.395
  753    HB2  PHE  92           HB2      PHE  92 -12.255   5.408  -5.154
  754    HB3  PHE  92           HB3      PHE  92 -13.420   4.112  -5.393
  755    HD1  PHE  92           HD2      PHE  92 -13.080   7.814  -5.567
  756    HD2  PHE  92           HD1      PHE  92 -15.104   4.343  -6.968
  757    HE1  PHE  92           HE2      PHE  92 -14.243   9.178  -7.252
  758    HE2  PHE  92           HE1      PHE  92 -16.271   5.701  -8.653
  759    HZ   PHE  92           HZ       PHE  92 -15.824   8.120  -8.811
  760    H    ASP  93           H        ASP  93 -15.697   6.538  -2.386
  761    HA   ASP  93           HA       ASP  93 -17.530   4.285  -2.718
  762    HB2  ASP  93           HB2      ASP  93 -18.843   5.479  -0.946
  763    HB3  ASP  93           HB3      ASP  93 -17.215   5.013  -0.457
  764    H    ARG  94           H        ARG  94 -16.842   6.999  -4.311
  765    HA   ARG  94           HA       ARG  94 -17.774   8.221  -5.936
  766    HB2  ARG  94           HB2      ARG  94 -19.095   7.127  -7.507
  767    HB3  ARG  94           HB3      ARG  94 -18.162   5.851  -6.742
  768    HG2  ARG  94           HG2      ARG  94 -20.034   5.060  -5.548
  769    HG3  ARG  94           HG3      ARG  94 -20.977   6.506  -5.921
  770    HD2  ARG  94           HD2      ARG  94 -20.053   4.412  -7.886
  771    HD3  ARG  94           HD3      ARG  94 -21.701   4.644  -7.304
  772    HE   ARG  94           HE       ARG  94 -20.918   7.064  -8.384
  773   HH11  ARG  94          HH12      ARG  94 -21.306   3.782  -9.546
  774   HH12  ARG  94          HH11      ARG  94 -21.712   4.272 -11.163
  775   HH21  ARG  94          HH22      ARG  94 -21.480   7.705 -10.492
  776   HH22  ARG  94          HH21      ARG  94 -21.823   6.500 -11.696
  777    H    PHE  95           H        PHE  95 -19.357   8.102  -3.093
  778    HA   PHE  95           HA       PHE  95 -21.445   9.912  -4.031
  779    HB2  PHE  95           HB2      PHE  95 -22.477   7.693  -4.154
  780    HB3  PHE  95           HB3      PHE  95 -22.062   7.395  -2.470
  781    HD1  PHE  95           HD1      PHE  95 -23.983   9.728  -4.630
  782    HD2  PHE  95           HD2      PHE  95 -23.576   7.918  -0.803
  783    HE1  PHE  95           HE1      PHE  95 -26.131  10.709  -3.943
  784    HE2  PHE  95           HE2      PHE  95 -25.723   8.894  -0.107
  785    HZ   PHE  95           HZ       PHE  95 -26.988  10.310  -1.655
  786    H    SER  96           H        SER  96 -20.690   8.116  -1.036
  787    HA   SER  96           HA       SER  96 -21.336  10.369   0.589
  788    HB2  SER  96           HB2      SER  96 -20.353   8.857   2.419
  789    HB3  SER  96           HB3      SER  96 -21.767   8.256   1.555
  790    HG   SER  96           HG       SER  96 -19.044   7.559   1.036
  791    H    LYS  97           H        LYS  97 -19.498  10.681   2.506
  792    HA   LYS  97           HA       LYS  97 -17.284  11.905   1.233
  793    HB2  LYS  97           HB2      LYS  97 -16.423  12.368   3.430
  794    HB3  LYS  97           HB3      LYS  97 -18.163  12.598   3.491
  795    HG2  LYS  97           HG2      LYS  97 -18.482  10.571   4.674
  796    HG3  LYS  97           HG3      LYS  97 -16.819  10.058   4.370
  797    HD2  LYS  97           HD2      LYS  97 -16.068  12.059   5.692
  798    HD3  LYS  97           HD3      LYS  97 -17.757  12.312   6.134
  799    HE2  LYS  97           HE2      LYS  97 -16.619  11.100   7.892
  800    HE3  LYS  97           HE3      LYS  97 -17.819  10.064   7.122
  801    HZ1  LYS  97           HZ1      LYS  97 -16.116   8.929   5.939
  802    HZ2  LYS  97           HZ2      LYS  97 -15.638   8.979   7.561
  803    HZ3  LYS  97           HZ3      LYS  97 -14.928  10.028   6.430
  804    H    HIS  98           H        HIS  98 -15.492  10.974   0.514
  805    HA   HIS  98           HA       HIS  98 -15.374   8.161   0.429
  806    HB2  HIS  98           HB2      HIS  98 -13.209  10.173  -0.240
  807    HB3  HIS  98           HB3      HIS  98 -13.225   8.484  -0.724
  808    HD1  HIS  98           HD1      HIS  98 -15.066  11.730  -1.376
  809    HD2  HIS  98           HD2      HIS  98 -14.570   7.950  -3.044
  810    HE1  HIS  98           HE1      HIS  98 -16.130  11.847  -3.651
  811    HE2  HIS  98           HE2      HIS  98 -15.625   9.626  -4.715
  812    H    ASP  99           H        ASP  99 -14.893   6.970   2.063
  813    HA   ASP  99           HA       ASP  99 -13.314   8.043   4.255
  814    HB2  ASP  99           HB2      ASP  99 -15.558   6.556   4.284
  815    HB3  ASP  99           HB3      ASP  99 -14.350   5.281   4.429
  816    H    ILE 100           H        ILE 100 -11.235   7.618   4.556
  817    HA   ILE 100           HA       ILE 100  -9.838   5.585   3.128
  818    HB   ILE 100           HB       ILE 100  -9.117   7.074   5.669
  819   HG12  ILE 100          HG12      ILE 100  -8.138   7.337   2.816
  820   HG13  ILE 100          HG13      ILE 100  -9.226   8.452   3.641
  821   HG21  ILE 100          HG21      ILE 100  -7.386   5.231   4.021
  822   HG22  ILE 100          HG22      ILE 100  -6.848   6.205   5.390
  823   HG23  ILE 100          HG23      ILE 100  -8.004   4.896   5.639
  824   HD11  ILE 100          HD11      ILE 100  -6.371   7.894   4.416
  825   HD12  ILE 100          HD12      ILE 100  -6.948   9.308   3.533
  826   HD13  ILE 100          HD13      ILE 100  -7.458   9.041   5.200
  827    H    ILE 101           H        ILE 101  -9.755   3.477   3.557
  828    HA   ILE 101           HA       ILE 101 -11.477   2.368   5.528
  829    HB   ILE 101           HB       ILE 101  -9.439   0.910   3.838
  830   HG12  ILE 101          HG12      ILE 101 -12.319   1.524   3.136
  831   HG13  ILE 101          HG13      ILE 101 -10.923   2.343   2.442
  832   HG21  ILE 101          HG21      ILE 101 -10.995  -0.973   4.098
  833   HG22  ILE 101          HG22      ILE 101 -10.378  -0.395   5.646
  834   HG23  ILE 101          HG23      ILE 101 -12.012   0.029   5.134
  835   HD11  ILE 101          HD11      ILE 101 -11.744   0.663   0.924
  836   HD12  ILE 101          HD12      ILE 101 -10.153   0.200   1.523
  837   HD13  ILE 101          HD13      ILE 101 -11.597  -0.578   2.170
  838    H    GLY 102           H        GLY 102  -8.013   2.352   4.868
  839    HA2  GLY 102           HA3      GLY 102  -7.265   2.832   7.525
  840    HA3  GLY 102           HA2      GLY 102  -7.149   1.104   7.214
  841    H    GLU 103           H        GLU 103  -4.861   1.364   7.585
  842    HA   GLU 103           HA       GLU 103  -3.301   1.784   5.283
  843    HB2  GLU 103           HB2      GLU 103  -3.510   4.113   5.527
  844    HB3  GLU 103           HB3      GLU 103  -3.541   4.022   7.281
  845    HG2  GLU 103           HG2      GLU 103  -1.109   3.168   7.005
  846    HG3  GLU 103           HG3      GLU 103  -1.218   3.948   5.421
  847    H    PHE 104           H        PHE 104  -1.241   0.890   5.660
  848    HA   PHE 104           HA       PHE 104  -0.040   1.230   8.206
  849    HB2  PHE 104           HB2      PHE 104  -1.404  -0.829   8.644
  850    HB3  PHE 104           HB3      PHE 104  -0.481  -1.645   7.384
  851    HD1  PHE 104           HD1      PHE 104  -0.267  -0.086  10.719
  852    HD2  PHE 104           HD2      PHE 104   1.707  -2.453   7.786
  853    HE1  PHE 104           HE1      PHE 104   1.456  -0.695  12.368
  854    HE2  PHE 104           HE2      PHE 104   3.429  -3.063   9.430
  855    HZ   PHE 104           HZ       PHE 104   3.317  -2.119  11.735
  856    H    LYS 105           H        LYS 105   1.976   1.733   7.682
  857    HA   LYS 105           HA       LYS 105   3.478  -0.289   6.352
  858    HB2  LYS 105           HB2      LYS 105   3.038   2.202   5.021
  859    HB3  LYS 105           HB3      LYS 105   4.710   1.656   5.076
  860    HG2  LYS 105           HG2      LYS 105   2.329   0.189   3.975
  861    HG3  LYS 105           HG3      LYS 105   3.746   0.776   3.097
  862    HD2  LYS 105           HD2      LYS 105   5.124  -0.887   3.945
  863    HD3  LYS 105           HD3      LYS 105   4.077  -1.185   5.334
  864    HE2  LYS 105           HE2      LYS 105   3.418  -1.860   2.472
  865    HE3  LYS 105           HE3      LYS 105   3.990  -3.007   3.685
  866    HZ1  LYS 105           HZ1      LYS 105   2.025  -2.748   4.929
  867    HZ2  LYS 105           HZ2      LYS 105   1.514  -2.913   3.323
  868    HZ3  LYS 105           HZ3      LYS 105   1.534  -1.385   4.055
  869    H    VAL 106           H        VAL 106   5.986   1.078   6.277
  870    HA   VAL 106           HA       VAL 106   6.501   1.061   9.098
  871    HB   VAL 106           HB       VAL 106   6.252  -1.331   8.673
  872   HG11  VAL 106          HG11      VAL 106   8.353  -0.989   6.543
  873   HG12  VAL 106          HG12      VAL 106   7.716  -2.530   7.120
  874   HG13  VAL 106          HG13      VAL 106   6.655  -1.393   6.287
  875   HG21  VAL 106          HG21      VAL 106   9.142  -0.536   8.978
  876   HG22  VAL 106          HG22      VAL 106   7.943  -0.643  10.267
  877   HG23  VAL 106          HG23      VAL 106   8.454  -2.101   9.415
  878    HA   PRO 107           HA       PRO 107   9.274   4.001   7.389
  879    HB2  PRO 107           HB2      PRO 107  11.020   3.997   9.529
  880    HB3  PRO 107           HB3      PRO 107   9.516   4.927   9.434
  881    HG2  PRO 107           HG2      PRO 107   9.961   2.221  10.645
  882    HG3  PRO 107           HG3      PRO 107   9.140   3.629  11.355
  883    HD2  PRO 107           HD2      PRO 107   7.653   1.758  10.303
  884    HD3  PRO 107           HD3      PRO 107   7.339   3.450   9.852
  885    H    MET 108           H        MET 108  10.866   3.799   6.106
  886    HA   MET 108           HA       MET 108  11.749   1.294   5.326
  887    HB2  MET 108           HB2      MET 108  12.814   4.012   4.590
  888    HB3  MET 108           HB3      MET 108  13.180   2.524   3.729
  889    HG2  MET 108           HG2      MET 108  10.598   4.024   3.908
  890    HG3  MET 108           HG3      MET 108  11.525   3.588   2.476
  891    HE1  MET 108           HE1      MET 108  11.500   1.178   1.351
  892    HE2  MET 108           HE2      MET 108  12.214   0.560   2.841
  893    HE3  MET 108           HE3      MET 108  10.810  -0.241   2.138
  894    H    ASN 109           H        ASN 109  12.984   3.443   7.662
  895    HA   ASN 109           HA       ASN 109  15.739   2.784   7.553
  896    HB2  ASN 109           HB2      ASN 109  15.455   3.424  10.148
  897    HB3  ASN 109           HB3      ASN 109  15.538   4.623   8.863
  898   HD21  ASN 109          HD21      ASN 109  13.691   5.711   8.230
  899   HD22  ASN 109          HD22      ASN 109  12.263   5.739   9.231
  900    H    THR 110           H        THR 110  12.995   1.075   8.737
  901    HA   THR 110           HA       THR 110  14.596  -0.727  10.364
  902    HB   THR 110           HB       THR 110  12.497  -1.996  10.670
  903    HG1  THR 110           HG1      THR 110  11.273   0.045   9.089
  904   HG21  THR 110          HG21      THR 110  11.250  -0.274  11.894
  905   HG22  THR 110          HG22      THR 110  12.182   0.979  11.076
  906   HG23  THR 110          HG23      THR 110  12.985  -0.139  12.180
  907    H    VAL 111           H        VAL 111  13.558  -0.374   7.159
  908    HA   VAL 111           HA       VAL 111  13.871  -3.158   6.437
  909    HB   VAL 111           HB       VAL 111  13.208  -0.755   4.734
  910   HG11  VAL 111          HG11      VAL 111  14.285  -2.524   3.441
  911   HG12  VAL 111          HG12      VAL 111  13.113  -3.692   4.049
  912   HG13  VAL 111          HG13      VAL 111  12.581  -2.368   3.011
  913   HG21  VAL 111          HG21      VAL 111  11.424  -2.947   5.799
  914   HG22  VAL 111          HG22      VAL 111  11.470  -1.283   6.379
  915   HG23  VAL 111          HG23      VAL 111  10.927  -1.630   4.738
  916    H    ASP 112           H        ASP 112  15.841  -3.960   5.948
  917    HA   ASP 112           HA       ASP 112  17.933  -2.257   4.884
  918    HB2  ASP 112           HB2      ASP 112  17.760  -5.247   5.321
  919    HB3  ASP 112           HB3      ASP 112  19.138  -4.477   4.545
  920    H    PHE 113           H        PHE 113  17.944  -1.655   2.771
  921    HA   PHE 113           HA       PHE 113  16.200  -3.164   0.970
  922    HB2  PHE 113           HB2      PHE 113  15.953  -0.719   1.068
  923    HB3  PHE 113           HB3      PHE 113  17.631  -0.517   0.581
  924    HD1  PHE 113           HD2      PHE 113  15.594  -3.145  -0.891
  925    HD2  PHE 113           HD1      PHE 113  16.990   0.845  -1.324
  926    HE1  PHE 113           HE2      PHE 113  14.898  -3.162  -3.247
  927    HE2  PHE 113           HE1      PHE 113  16.296   0.836  -3.678
  928    HZ   PHE 113           HZ       PHE 113  15.273  -1.154  -4.651
  929    H    GLY 114           H        GLY 114  18.109  -4.798   1.405
  930    HA2  GLY 114           HA3      GLY 114  20.053  -4.601  -0.758
  931    HA3  GLY 114           HA2      GLY 114  19.898  -5.928   0.389
  932    H    HIS 115           H        HIS 115  17.399  -6.761   0.209
  933    HA   HIS 115           HA       HIS 115  17.133  -7.523  -2.600
  934    HB2  HIS 115           HB2      HIS 115  17.090  -9.371  -0.220
  935    HB3  HIS 115           HB3      HIS 115  16.506  -9.834  -1.815
  936    HD1  HIS 115           HD1      HIS 115  18.373  -9.679  -3.777
  937    HD2  HIS 115           HD2      HIS 115  19.767  -9.718   0.144
  938    HE1  HIS 115           HE1      HIS 115  20.819 -10.255  -3.929
  939    HE2  HIS 115           HE2      HIS 115  21.598 -10.436  -1.536
  940    H    VAL 116           H        VAL 116  15.128  -8.991  -0.180
  941    HA   VAL 116           HA       VAL 116  12.857  -7.682  -1.533
  942    HB   VAL 116           HB       VAL 116  11.622  -9.823  -1.253
  943   HG11  VAL 116          HG11      VAL 116  12.765 -11.025  -3.060
  944   HG12  VAL 116          HG12      VAL 116  12.648  -9.295  -3.381
  945   HG13  VAL 116          HG13      VAL 116  14.177  -9.990  -2.843
  946   HG21  VAL 116          HG21      VAL 116  14.319 -10.894  -0.427
  947   HG22  VAL 116          HG22      VAL 116  12.876 -10.790   0.582
  948   HG23  VAL 116          HG23      VAL 116  12.904 -11.875  -0.809
  949    H    THR 117           H        THR 117  11.410  -6.684  -0.263
  950    HA   THR 117           HA       THR 117  11.229  -7.382   2.557
  951    HB   THR 117           HB       THR 117   9.844  -5.241   0.931
  952    HG1  THR 117           HG1      THR 117  11.871  -5.250   2.933
  953   HG21  THR 117          HG21      THR 117   9.649  -5.804   3.896
  954   HG22  THR 117          HG22      THR 117   8.352  -6.016   2.722
  955   HG23  THR 117          HG23      THR 117   8.971  -4.401   3.069
  956    H    GLU 118           H        GLU 118  10.194  -9.214   2.880
  957    HA   GLU 118           HA       GLU 118   7.658  -9.641   1.444
  958    HB2  GLU 118           HB2      GLU 118   8.500 -12.192   1.943
  959    HB3  GLU 118           HB3      GLU 118   8.663 -11.355   0.410
  960    HG2  GLU 118           HG2      GLU 118  10.743 -12.376   0.934
  961    HG3  GLU 118           HG3      GLU 118  10.932 -10.634   1.096
  962    H    GLU 119           H        GLU 119   6.042  -9.505   2.846
  963    HA   GLU 119           HA       GLU 119   5.980 -11.279   5.079
  964    HB2  GLU 119           HB2      GLU 119   5.593  -9.503   6.795
  965    HB3  GLU 119           HB3      GLU 119   7.245  -9.587   6.203
  966    HG2  GLU 119           HG2      GLU 119   6.930  -7.639   4.858
  967    HG3  GLU 119           HG3      GLU 119   5.203  -7.612   5.219
  968    H    TRP 120           H        TRP 120   3.936 -11.465   5.985
  969    HA   TRP 120           HA       TRP 120   1.793 -10.557   4.273
  970    HB2  TRP 120           HB2      TRP 120   1.559 -12.094   6.871
  971    HB3  TRP 120           HB3      TRP 120   0.388 -12.017   5.557
  972    HD1  TRP 120           HD1      TRP 120   2.298 -14.557   6.902
  973    HE1  TRP 120           HE1      TRP 120   3.269 -16.206   5.183
  974    HE3  TRP 120           HE3      TRP 120   1.845 -11.701   2.686
  975    HZ2  TRP 120           HZ2      TRP 120   3.775 -16.284   2.406
  976    HZ3  TRP 120           HZ3      TRP 120   2.596 -12.630   0.547
  977    HH2  TRP 120           HH2      TRP 120   3.545 -14.876   0.405
  978    H    ARG 121           H        ARG 121   1.029  -8.562   4.543
  979    HA   ARG 121           HA       ARG 121   1.650  -7.281   7.126
  980    HB2  ARG 121           HB2      ARG 121   2.907  -6.515   5.098
  981    HB3  ARG 121           HB3      ARG 121   1.384  -5.981   4.410
  982    HG2  ARG 121           HG2      ARG 121   2.490  -4.095   5.341
  983    HG3  ARG 121           HG3      ARG 121   1.102  -4.461   6.360
  984    HD2  ARG 121           HD2      ARG 121   3.813  -5.557   7.012
  985    HD3  ARG 121           HD3      ARG 121   3.376  -3.915   7.473
  986    HE   ARG 121           HE       ARG 121   1.499  -4.938   8.741
  987   HH11  ARG 121          HH12      ARG 121   4.371  -6.815   8.021
  988   HH12  ARG 121          HH11      ARG 121   4.115  -7.921   9.346
  989   HH21  ARG 121          HH22      ARG 121   1.183  -6.346  10.465
  990   HH22  ARG 121          HH21      ARG 121   2.314  -7.642  10.745
  991    H    ASP 122           H        ASP 122   0.136  -5.754   7.956
  992    HA   ASP 122           HA       ASP 122  -2.579  -6.685   7.378
  993    HB2  ASP 122           HB2      ASP 122  -3.108  -5.941   9.673
  994    HB3  ASP 122           HB3      ASP 122  -1.804  -7.121   9.660
  995    H    LEU 123           H        LEU 123  -4.161  -5.279   6.835
  996    HA   LEU 123           HA       LEU 123  -3.520  -2.443   6.835
  997    HB2  LEU 123           HB2      LEU 123  -5.788  -4.062   5.779
  998    HB3  LEU 123           HB3      LEU 123  -6.100  -2.394   6.217
  999    HG   LEU 123           HG       LEU 123  -5.480  -1.868   4.157
 1000   HD11  LEU 123          HD11      LEU 123  -3.105  -1.695   3.660
 1001   HD12  LEU 123          HD12      LEU 123  -3.450  -1.180   5.312
 1002   HD13  LEU 123          HD13      LEU 123  -2.736  -2.766   5.012
 1003   HD21  LEU 123          HD21      LEU 123  -4.415  -3.472   2.613
 1004   HD22  LEU 123          HD22      LEU 123  -4.260  -4.609   3.951
 1005   HD23  LEU 123          HD23      LEU 123  -5.860  -4.111   3.397
 1006    H    GLN 124           H        GLN 124  -3.774  -1.337   8.631
 1007    HA   GLN 124           HA       GLN 124  -5.598  -2.382  10.635
 1008    HB2  GLN 124           HB2      GLN 124  -4.438  -0.793  12.185
 1009    HB3  GLN 124           HB3      GLN 124  -3.392  -2.045  11.523
 1010    HG2  GLN 124           HG2      GLN 124  -2.340  -0.562  10.079
 1011    HG3  GLN 124           HG3      GLN 124  -3.611   0.642  10.268
 1012   HE21  GLN 124          HE21      GLN 124  -2.077   2.171  10.712
 1013   HE22  GLN 124          HE22      GLN 124  -1.297   2.284  12.254
 1014    H    SER 125           H        SER 125  -7.162  -1.048  11.468
 1015    HA   SER 125           HA       SER 125  -8.376   0.689   9.590
 1016    HB2  SER 125           HB2      SER 125  -9.438  -0.866  11.437
 1017    HB3  SER 125           HB3      SER 125  -9.256   0.557  12.457
 1018    HG   SER 125           HG       SER 125 -10.422   1.687  10.678
 1019    H    ALA 126           H        ALA 126  -7.685   2.716   9.252
 1020    HA   ALA 126           HA       ALA 126  -6.534   4.174  11.504
 1021    HB1  ALA 126           HB1      ALA 126  -5.218   4.126   9.449
 1022    HB2  ALA 126           HB2      ALA 126  -6.565   4.827   8.553
 1023    HB3  ALA 126           HB3      ALA 126  -5.753   5.768   9.805
 1024    H    GLU 127           H        GLU 127  -7.431   5.982  12.296
 1025    HA   GLU 127           HA       GLU 127 -10.141   6.626  11.393
 1026    HB2  GLU 127           HB2      GLU 127  -8.691   7.501  13.905
 1027    HB3  GLU 127           HB3      GLU 127 -10.381   7.803  13.528
 1028    HG2  GLU 127           HG2      GLU 127  -9.121   5.112  14.019
 1029    HG3  GLU 127           HG3      GLU 127 -10.153   6.005  15.134
 1030    H    LYS 128           H        LYS 128  -9.606   7.800   9.580
 1031    HA   LYS 128           HA       LYS 128  -7.762  10.064   9.933
 1032    HB2  LYS 128           HB2      LYS 128  -7.177   8.133   8.350
 1033    HB3  LYS 128           HB3      LYS 128  -8.476   8.729   7.327
 1034    HG2  LYS 128           HG2      LYS 128  -6.598   9.702   6.406
 1035    HG3  LYS 128           HG3      LYS 128  -7.235  10.982   7.438
 1036    HD2  LYS 128           HD2      LYS 128  -4.837  10.830   7.718
 1037    HD3  LYS 128           HD3      LYS 128  -5.639  10.311   9.203
 1038    HE2  LYS 128           HE2      LYS 128  -5.278   7.997   8.652
 1039    HE3  LYS 128           HE3      LYS 128  -4.652   8.429   7.063
 1040    HZ1  LYS 128           HZ1      LYS 128  -2.907   7.876   8.701
 1041    HZ2  LYS 128           HZ2      LYS 128  -3.378   9.215   9.628
 1042    HZ3  LYS 128           HZ3      LYS 128  -2.751   9.443   8.068
  Start of MODEL    6
    1    H1   GLU   1           H1       GLU   1  -8.744  -0.334  16.015
    2    H2   GLU   1           H2       GLU   1  -8.149  -1.915  15.855
    3    H3   GLU   1           H3       GLU   1  -9.815  -1.653  16.038
    4    HB2  GLU   1           HB2      GLU   1  -8.041  -0.383  12.458
    5    HB3  GLU   1           HB3      GLU   1  -7.599   0.351  13.987
    6    HG2  GLU   1           HG2      GLU   1  -6.844  -2.431  13.122
    7    HG3  GLU   1           HG3      GLU   1  -5.810  -1.014  12.973
    8    H    LYS   2           H        LYS   2  -9.537  -1.794  11.710
    9    HA   LYS   2           HA       LYS   2  -9.042  -4.532  11.709
   10    HB2  LYS   2           HB2      LYS   2 -11.361  -5.406  11.546
   11    HB3  LYS   2           HB3      LYS   2 -10.981  -4.772  13.141
   12    HG2  LYS   2           HG2      LYS   2 -12.197  -2.838  11.299
   13    HG3  LYS   2           HG3      LYS   2 -13.219  -4.184  11.754
   14    HD2  LYS   2           HD2      LYS   2 -11.835  -2.270  13.609
   15    HD3  LYS   2           HD3      LYS   2 -13.569  -2.355  13.285
   16    HE2  LYS   2           HE2      LYS   2 -13.593  -4.644  14.201
   17    HE3  LYS   2           HE3      LYS   2 -11.874  -4.480  14.577
   18    HZ1  LYS   2           HZ1      LYS   2 -13.450  -4.037  16.464
   19    HZ2  LYS   2           HZ2      LYS   2 -13.939  -2.633  15.641
   20    HZ3  LYS   2           HZ3      LYS   2 -12.331  -2.801  16.150
   21    H    LEU   3           H        LEU   3  -8.103  -3.497   9.932
   22    HA   LEU   3           HA       LEU   3  -9.776  -2.860   7.738
   23    HB2  LEU   3           HB2      LEU   3  -7.786  -1.524   8.381
   24    HB3  LEU   3           HB3      LEU   3  -6.795  -2.886   7.911
   25    HG   LEU   3           HG       LEU   3  -7.607  -2.656   5.605
   26   HD11  LEU   3          HD11      LEU   3  -9.771  -1.642   6.087
   27   HD12  LEU   3          HD12      LEU   3  -8.962  -0.193   6.685
   28   HD13  LEU   3          HD13      LEU   3  -8.831  -0.638   4.984
   29   HD21  LEU   3          HD21      LEU   3  -5.536  -1.627   6.336
   30   HD22  LEU   3          HD22      LEU   3  -6.355  -0.599   5.154
   31   HD23  LEU   3          HD23      LEU   3  -6.423  -0.194   6.869
   32    H    GLY   4           H        GLY   4  -8.301  -5.596   9.079
   33    HA2  GLY   4           HA3      GLY   4  -8.124  -7.743   8.084
   34    HA3  GLY   4           HA2      GLY   4  -8.315  -6.993   6.503
   35    H    LYS   5           H        LYS   5  -6.417  -8.094   5.715
   36    HA   LYS   5           HA       LYS   5  -3.939  -6.814   6.567
   37    HB2  LYS   5           HB2      LYS   5  -3.975  -9.777   6.012
   38    HB3  LYS   5           HB3      LYS   5  -2.689  -8.819   6.718
   39    HG2  LYS   5           HG2      LYS   5  -4.036  -8.503   8.739
   40    HG3  LYS   5           HG3      LYS   5  -5.306  -9.503   8.033
   41    HD2  LYS   5           HD2      LYS   5  -4.114 -10.973   9.412
   42    HD3  LYS   5           HD3      LYS   5  -3.499 -11.302   7.793
   43    HE2  LYS   5           HE2      LYS   5  -1.620 -11.214   9.229
   44    HE3  LYS   5           HE3      LYS   5  -1.617  -9.712   8.304
   45    HZ1  LYS   5           HZ1      LYS   5  -1.150  -9.224  10.585
   46    HZ2  LYS   5           HZ2      LYS   5  -2.511 -10.078  11.115
   47    HZ3  LYS   5           HZ3      LYS   5  -2.706  -8.636  10.241
   48    H    LEU   6           H        LEU   6  -2.207  -7.107   4.946
   49    HA   LEU   6           HA       LEU   6  -3.224  -7.857   2.321
   50    HB2  LEU   6           HB2      LEU   6  -3.070  -5.811   1.470
   51    HB3  LEU   6           HB3      LEU   6  -2.862  -5.244   3.117
   52    HG   LEU   6           HG       LEU   6  -0.381  -6.011   1.781
   53   HD11  LEU   6          HD11      LEU   6  -0.285  -3.982   0.432
   54   HD12  LEU   6          HD12      LEU   6  -1.596  -5.034  -0.108
   55   HD13  LEU   6          HD13      LEU   6  -1.952  -3.596   0.870
   56   HD21  LEU   6          HD21      LEU   6  -0.466  -4.924   4.000
   57   HD22  LEU   6          HD22      LEU   6   0.357  -3.901   2.821
   58   HD23  LEU   6          HD23      LEU   6  -1.309  -3.539   3.289
   59    H    GLN   7           H        GLN   7  -2.044  -9.486   1.719
   60    HA   GLN   7           HA       GLN   7   0.618  -9.709   2.878
   61    HB2  GLN   7           HB2      GLN   7  -0.465 -11.769   1.006
   62    HB3  GLN   7           HB3      GLN   7   0.538 -11.976   2.430
   63    HG2  GLN   7           HG2      GLN   7  -1.317 -12.732   3.392
   64    HG3  GLN   7           HG3      GLN   7  -1.771 -11.032   3.519
   65   HE21  GLN   7          HE21      GLN   7  -2.046 -10.902   0.524
   66   HE22  GLN   7          HE22      GLN   7  -3.587 -11.629   0.213
   67    H    TYR   8           H        TYR   8   2.213  -8.776   1.775
   68    HA   TYR   8           HA       TYR   8   2.264  -9.295  -1.107
   69    HB2  TYR   8           HB2      TYR   8   2.639  -6.581   0.158
   70    HB3  TYR   8           HB3      TYR   8   3.286  -6.998  -1.415
   71    HD1  TYR   8           HD2      TYR   8   0.001  -7.618   0.173
   72    HD2  TYR   8           HD1      TYR   8   2.096  -5.897  -3.091
   73    HE1  TYR   8           HE2      TYR   8  -2.137  -7.001  -0.861
   74    HE2  TYR   8           HE1      TYR   8  -0.039  -5.275  -4.135
   75    HH   TYR   8           HH       TYR   8  -3.048  -5.513  -2.453
   76    H    SER   9           H        SER   9   4.475  -8.471  -1.978
   77    HA   SER   9           HA       SER   9   6.685  -8.981  -0.194
   78    HB2  SER   9           HB2      SER   9   6.525 -11.224  -0.713
   79    HB3  SER   9           HB3      SER   9   5.902 -10.924  -2.325
   80    HG   SER   9           HG       SER   9   8.132 -11.686  -2.184
   81    H    LEU  10           H        LEU  10   8.327  -7.899  -0.688
   82    HA   LEU  10           HA       LEU  10   8.145  -6.099  -2.981
   83    HB2  LEU  10           HB2      LEU  10   9.201  -4.975  -0.517
   84    HB3  LEU  10           HB3      LEU  10   8.031  -4.324  -1.639
   85    HG   LEU  10           HG       LEU  10   7.442  -6.230   0.641
   86   HD11  LEU  10          HD11      LEU  10   6.779  -3.362   0.127
   87   HD12  LEU  10          HD12      LEU  10   6.279  -4.300   1.538
   88   HD13  LEU  10          HD13      LEU  10   7.991  -3.955   1.265
   89   HD21  LEU  10          HD21      LEU  10   5.541  -4.911  -1.315
   90   HD22  LEU  10          HD22      LEU  10   5.873  -6.640  -1.200
   91   HD23  LEU  10          HD23      LEU  10   5.067  -5.812   0.137
   92    H    ASP  11           H        ASP  11   9.997  -5.581  -3.936
   93    HA   ASP  11           HA       ASP  11  12.541  -6.436  -2.733
   94    HB2  ASP  11           HB2      ASP  11  13.277  -7.452  -4.802
   95    HB3  ASP  11           HB3      ASP  11  11.750  -8.184  -4.328
   96    H    TYR  12           H        TYR  12  14.398  -5.510  -4.308
   97    HA   TYR  12           HA       TYR  12  13.594  -2.727  -5.009
   98    HB2  TYR  12           HB2      TYR  12  15.674  -1.920  -4.121
   99    HB3  TYR  12           HB3      TYR  12  14.908  -2.902  -2.881
  100    HD1  TYR  12           HD1      TYR  12  15.698  -5.431  -2.833
  101    HD2  TYR  12           HD2      TYR  12  17.905  -2.241  -4.574
  102    HE1  TYR  12           HE1      TYR  12  17.748  -6.765  -2.665
  103    HE2  TYR  12           HE2      TYR  12  19.966  -3.569  -4.404
  104    HH   TYR  12           HH       TYR  12  19.966  -6.881  -3.774
  105    H    ASP  13           H        ASP  13  13.732  -2.390  -7.070
  106    HA   ASP  13           HA       ASP  13  15.964  -3.489  -8.610
  107    HB2  ASP  13           HB2      ASP  13  13.733  -3.203  -9.725
  108    HB3  ASP  13           HB3      ASP  13  13.847  -1.471  -9.437
  109    H    PHE  14           H        PHE  14  17.872  -2.498  -8.093
  110    HA   PHE  14           HA       PHE  14  17.573  -0.043  -6.621
  111    HB2  PHE  14           HB2      PHE  14  19.931  -0.335  -6.012
  112    HB3  PHE  14           HB3      PHE  14  18.991  -1.783  -5.684
  113    HD1  PHE  14           HD1      PHE  14  19.233  -3.765  -7.150
  114    HD2  PHE  14           HD2      PHE  14  21.747  -0.355  -7.540
  115    HE1  PHE  14           HE1      PHE  14  20.836  -5.099  -8.453
  116    HE2  PHE  14           HE2      PHE  14  23.353  -1.684  -8.844
  117    HZ   PHE  14           HZ       PHE  14  22.934  -4.066  -9.249
  118    H    GLN  15           H        GLN  15  18.467  -0.881  -9.856
  119    HA   GLN  15           HA       GLN  15  19.888   1.635 -10.059
  120    HB2  GLN  15           HB2      GLN  15  20.369   0.924 -12.364
  121    HB3  GLN  15           HB3      GLN  15  20.944  -0.222 -11.176
  122    HG2  GLN  15           HG2      GLN  15  20.053  -1.570 -12.833
  123    HG3  GLN  15           HG3      GLN  15  18.743  -1.481 -11.656
  124   HE21  GLN  15          HE21      GLN  15  16.841  -0.502 -12.206
  125   HE22  GLN  15          HE22      GLN  15  16.503   0.137 -13.786
  126    H    ASN  16           H        ASN  16  16.604   0.716 -10.184
  127    HA   ASN  16           HA       ASN  16  16.369   3.357 -11.427
  128    HB2  ASN  16           HB2      ASN  16  13.972   3.011 -11.561
  129    HB3  ASN  16           HB3      ASN  16  14.827   1.723 -12.383
  130   HD21  ASN  16          HD21      ASN  16  13.194   0.278 -12.279
  131   HD22  ASN  16          HD22      ASN  16  12.636  -0.432 -10.808
  132    H    ASN  17           H        ASN  17  16.964   1.919  -8.667
  133    HA   ASN  17           HA       ASN  17  16.951   2.367  -6.497
  134    HB2  ASN  17           HB2      ASN  17  17.118   4.941  -7.828
  135    HB3  ASN  17           HB3      ASN  17  16.622   5.029  -6.145
  136   HD21  ASN  17          HD21      ASN  17  19.056   5.982  -7.224
  137   HD22  ASN  17          HD22      ASN  17  20.353   5.103  -6.476
  138    H    GLN  18           H        GLN  18  14.715   1.288  -6.957
  139    HA   GLN  18           HA       GLN  18  12.804   2.806  -5.411
  140    HB2  GLN  18           HB2      GLN  18  12.010   3.448  -7.519
  141    HB3  GLN  18           HB3      GLN  18  12.401   1.895  -8.196
  142    HG2  GLN  18           HG2      GLN  18  10.448   1.627  -6.135
  143    HG3  GLN  18           HG3      GLN  18   9.921   2.740  -7.399
  144   HE21  GLN  18          HE21      GLN  18   9.100   0.005  -6.631
  145   HE22  GLN  18          HE22      GLN  18   9.234  -0.952  -8.064
  146    H    LEU  19           H        LEU  19  11.662   1.586  -4.174
  147    HA   LEU  19           HA       LEU  19  12.194  -1.241  -4.112
  148    HB2  LEU  19           HB2      LEU  19  10.399   0.410  -2.336
  149    HB3  LEU  19           HB3      LEU  19  10.961  -1.226  -2.026
  150    HG   LEU  19           HG       LEU  19  12.773   1.177  -2.251
  151   HD11  LEU  19          HD11      LEU  19  11.775  -0.272   0.195
  152   HD12  LEU  19          HD12      LEU  19  12.975   1.019   0.174
  153   HD13  LEU  19          HD13      LEU  19  11.311   1.353  -0.307
  154   HD21  LEU  19          HD21      LEU  19  13.280  -1.651  -1.332
  155   HD22  LEU  19          HD22      LEU  19  13.857  -0.917  -2.829
  156   HD23  LEU  19          HD23      LEU  19  14.442  -0.324  -1.275
  157    H    LEU  20           H        LEU  20  10.595  -2.802  -4.311
  158    HA   LEU  20           HA       LEU  20   8.404  -1.999  -6.157
  159    HB2  LEU  20           HB2      LEU  20  10.686  -3.183  -6.876
  160    HB3  LEU  20           HB3      LEU  20   9.942  -4.585  -6.171
  161    HG   LEU  20           HG       LEU  20   9.738  -4.706  -8.530
  162   HD11  LEU  20          HD11      LEU  20   7.090  -4.015  -7.308
  163   HD12  LEU  20          HD12      LEU  20   7.330  -4.885  -8.823
  164   HD13  LEU  20          HD13      LEU  20   7.880  -5.592  -7.303
  165   HD21  LEU  20          HD21      LEU  20   8.642  -3.068  -9.894
  166   HD22  LEU  20          HD22      LEU  20   8.297  -2.073  -8.478
  167   HD23  LEU  20          HD23      LEU  20   9.966  -2.312  -9.002
  168    H    VAL  21           H        VAL  21   6.439  -2.625  -5.089
  169    HA   VAL  21           HA       VAL  21   6.720  -4.957  -3.338
  170    HB   VAL  21           HB       VAL  21   5.491  -3.831  -1.649
  171   HG11  VAL  21          HG11      VAL  21   7.809  -3.182  -1.723
  172   HG12  VAL  21          HG12      VAL  21   7.433  -1.890  -2.862
  173   HG13  VAL  21          HG13      VAL  21   6.827  -1.812  -1.208
  174   HG21  VAL  21          HG21      VAL  21   5.003  -1.567  -3.554
  175   HG22  VAL  21          HG22      VAL  21   3.792  -2.697  -2.950
  176   HG23  VAL  21          HG23      VAL  21   4.580  -1.574  -1.841
  177    H    GLY  22           H        GLY  22   5.873  -6.145  -5.237
  178    HA2  GLY  22           HA3      GLY  22   3.001  -5.558  -5.559
  179    HA3  GLY  22           HA2      GLY  22   3.963  -6.057  -6.895
  180    H    ILE  23           H        ILE  23   2.919  -7.081  -3.754
  181    HA   ILE  23           HA       ILE  23   2.593  -9.649  -5.106
  182    HB   ILE  23           HB       ILE  23   3.130  -9.293  -2.232
  183   HG12  ILE  23          HG12      ILE  23   4.921  -9.449  -3.897
  184   HG13  ILE  23          HG13      ILE  23   4.913 -10.861  -2.848
  185   HG21  ILE  23          HG21      ILE  23   2.825 -11.691  -1.898
  186   HG22  ILE  23          HG22      ILE  23   1.290 -10.913  -2.279
  187   HG23  ILE  23          HG23      ILE  23   2.143 -11.834  -3.518
  188   HD11  ILE  23          HD11      ILE  23   3.802 -10.732  -5.643
  189   HD12  ILE  23          HD12      ILE  23   5.327 -11.475  -5.158
  190   HD13  ILE  23          HD13      ILE  23   3.798 -12.151  -4.595
  191    H    ILE  24           H        ILE  24   0.268  -9.291  -2.283
  192    HA   ILE  24           HA       ILE  24  -1.223 -10.536  -4.526
  193    HB   ILE  24           HB       ILE  24  -1.398 -11.301  -1.610
  194   HG12  ILE  24          HG12      ILE  24  -0.593 -12.957  -4.007
  195   HG13  ILE  24          HG13      ILE  24   0.555 -12.178  -2.926
  196   HG21  ILE  24          HG21      ILE  24  -2.997 -13.004  -2.313
  197   HG22  ILE  24          HG22      ILE  24  -3.604 -11.389  -2.678
  198   HG23  ILE  24          HG23      ILE  24  -2.937 -12.394  -3.966
  199   HD11  ILE  24          HD11      ILE  24  -1.441 -14.294  -2.163
  200   HD12  ILE  24          HD12      ILE  24   0.297 -14.516  -2.369
  201   HD13  ILE  24          HD13      ILE  24  -0.314 -13.501  -1.063
  202    H    GLN  25           H        GLN  25  -2.195  -9.244  -1.326
  203    HA   GLN  25           HA       GLN  25  -4.564  -8.172  -2.579
  204    HB2  GLN  25           HB2      GLN  25  -5.404 -10.289  -2.609
  205    HB3  GLN  25           HB3      GLN  25  -4.343 -10.845  -1.332
  206    HG2  GLN  25           HG2      GLN  25  -6.490  -8.986  -0.543
  207    HG3  GLN  25           HG3      GLN  25  -6.981 -10.596  -1.070
  208   HE21  GLN  25          HE21      GLN  25  -4.960  -8.835   1.115
  209   HE22  GLN  25          HE22      GLN  25  -4.882 -10.048   2.348
  210    H    ALA  26           H        ALA  26  -5.703  -6.874  -1.349
  211    HA   ALA  26           HA       ALA  26  -4.982  -6.627   1.500
  212    HB1  ALA  26           HB1      ALA  26  -6.667  -4.824  -0.257
  213    HB2  ALA  26           HB2      ALA  26  -6.303  -4.544   1.446
  214    HB3  ALA  26           HB3      ALA  26  -5.007  -4.511   0.249
  215    H    ALA  27           H        ALA  27  -6.707  -6.935   3.041
  216    HA   ALA  27           HA       ALA  27  -8.889  -8.525   1.888
  217    HB1  ALA  27           HB1      ALA  27  -8.567 -10.210   3.592
  218    HB2  ALA  27           HB2      ALA  27  -7.093  -9.977   2.652
  219    HB3  ALA  27           HB3      ALA  27  -7.227  -9.283   4.267
  220    H    GLU  28           H        GLU  28 -10.884  -7.934   2.562
  221    HA   GLU  28           HA       GLU  28 -12.596  -7.560   3.993
  222    HB2  GLU  28           HB2      GLU  28 -10.534  -8.241   6.096
  223    HB3  GLU  28           HB3      GLU  28 -12.263  -8.095   6.390
  224    HG2  GLU  28           HG2      GLU  28 -12.717  -9.990   5.004
  225    HG3  GLU  28           HG3      GLU  28 -11.032 -10.074   4.491
  226    H    LEU  29           H        LEU  29 -11.323  -5.337   3.060
  227    HA   LEU  29           HA       LEU  29 -10.952  -3.565   5.360
  228    HB2  LEU  29           HB2      LEU  29 -11.178  -2.431   2.624
  229    HB3  LEU  29           HB3      LEU  29 -10.089  -2.023   3.945
  230    HG   LEU  29           HG       LEU  29  -9.713  -4.551   2.338
  231   HD11  LEU  29          HD11      LEU  29  -9.733  -2.636   0.804
  232   HD12  LEU  29          HD12      LEU  29  -8.494  -1.864   1.794
  233   HD13  LEU  29          HD13      LEU  29  -8.136  -3.375   0.952
  234   HD21  LEU  29          HD21      LEU  29  -8.538  -4.380   4.471
  235   HD22  LEU  29          HD22      LEU  29  -7.422  -4.330   3.105
  236   HD23  LEU  29          HD23      LEU  29  -7.841  -2.844   3.955
  237    HA   PRO  30           HA       PRO  30 -15.129  -2.303   5.843
  238    HB2  PRO  30           HB2      PRO  30 -14.248   0.534   5.619
  239    HB3  PRO  30           HB3      PRO  30 -15.165  -0.266   6.902
  240    HG2  PRO  30           HG2      PRO  30 -12.603   0.334   7.256
  241    HG3  PRO  30           HG3      PRO  30 -13.264  -1.198   7.855
  242    HD2  PRO  30           HD2      PRO  30 -11.586  -0.674   5.434
  243    HD3  PRO  30           HD3      PRO  30 -11.529  -2.035   6.574
  244    H    ALA  31           H        ALA  31 -16.882  -1.927   4.652
  245    HA   ALA  31           HA       ALA  31 -16.673  -1.397   1.862
  246    HB1  ALA  31           HB1      ALA  31 -19.056  -1.812   1.839
  247    HB2  ALA  31           HB2      ALA  31 -18.244  -3.002   2.855
  248    HB3  ALA  31           HB3      ALA  31 -19.121  -1.663   3.595
  249    H    LEU  32           H        LEU  32 -16.786   0.485   0.822
  250    HA   LEU  32           HA       LEU  32 -18.252   2.738   2.052
  251    HB2  LEU  32           HB2      LEU  32 -15.691   2.634   0.566
  252    HB3  LEU  32           HB3      LEU  32 -16.782   3.967   0.204
  253    HG   LEU  32           HG       LEU  32 -15.025   4.495   1.906
  254   HD11  LEU  32          HD11      LEU  32 -17.914   4.634   2.730
  255   HD12  LEU  32          HD12      LEU  32 -16.612   5.514   3.536
  256   HD13  LEU  32          HD13      LEU  32 -16.984   5.847   1.842
  257   HD21  LEU  32          HD21      LEU  32 -15.359   3.590   4.185
  258   HD22  LEU  32          HD22      LEU  32 -16.572   2.482   3.535
  259   HD23  LEU  32          HD23      LEU  32 -14.890   2.355   3.014
  260    H    ASP  33           H        ASP  33 -19.578   0.824   0.445
  261    HA   ASP  33           HA       ASP  33 -20.192   2.510  -1.851
  262    HB2  ASP  33           HB2      ASP  33 -18.477   0.924  -2.643
  263    HB3  ASP  33           HB3      ASP  33 -19.476  -0.422  -2.110
  264    H    MET  34           H        MET  34 -22.115   2.052  -2.834
  265    HA   MET  34           HA       MET  34 -24.161   1.218  -0.984
  266    HB2  MET  34           HB2      MET  34 -24.396   3.182  -2.523
  267    HB3  MET  34           HB3      MET  34 -24.468   2.061  -3.875
  268    HG2  MET  34           HG2      MET  34 -26.500   1.078  -2.972
  269    HG3  MET  34           HG3      MET  34 -26.419   2.164  -1.586
  270    HE1  MET  34           HE1      MET  34 -29.482   3.567  -3.573
  271    HE2  MET  34           HE2      MET  34 -29.016   1.876  -3.390
  272    HE3  MET  34           HE3      MET  34 -28.900   2.977  -2.016
  273    H    GLY  35           H        GLY  35 -22.980  -0.909  -1.050
  274    HA2  GLY  35           HA3      GLY  35 -24.779  -2.830  -2.121
  275    HA3  GLY  35           HA2      GLY  35 -23.234  -2.870  -2.969
  276    H    GLY  36           H        GLY  36 -23.225  -1.779   0.258
  277    HA2  GLY  36           HA3      GLY  36 -22.009  -2.463   2.073
  278    HA3  GLY  36           HA2      GLY  36 -22.827  -4.005   1.827
  279    H    THR  37           H        THR  37 -20.553  -2.401  -0.279
  280    HA   THR  37           HA       THR  37 -18.435  -4.252   0.442
  281    HB   THR  37           HB       THR  37 -17.870  -4.585  -1.988
  282    HG1  THR  37           HG1      THR  37 -19.444  -2.798  -2.510
  283   HG21  THR  37          HG21      THR  37 -19.515  -6.358  -2.395
  284   HG22  THR  37          HG22      THR  37 -20.533  -5.707  -1.111
  285   HG23  THR  37          HG23      THR  37 -18.949  -6.379  -0.725
  286    H    SER  38           H        SER  38 -16.398  -3.397  -0.879
  287    HA   SER  38           HA       SER  38 -16.584  -0.484  -1.049
  288    HB2  SER  38           HB2      SER  38 -14.395  -0.331   0.015
  289    HB3  SER  38           HB3      SER  38 -15.512  -1.203   1.061
  290    HG   SER  38           HG       SER  38 -13.172  -1.994   0.198
  291    H    ASP  39           H        ASP  39 -14.755   0.460  -2.282
  292    HA   ASP  39           HA       ASP  39 -13.804  -1.353  -4.393
  293    HB2  ASP  39           HB2      ASP  39 -14.585   1.562  -4.490
  294    HB3  ASP  39           HB3      ASP  39 -13.524   0.864  -5.706
  295    HA   PRO  40           HA       PRO  40 -10.366  -0.126  -1.483
  296    HB2  PRO  40           HB2      PRO  40  -9.346  -2.699  -2.539
  297    HB3  PRO  40           HB3      PRO  40  -9.444  -2.124  -0.873
  298    HG2  PRO  40           HG2      PRO  40 -11.134  -3.989  -1.848
  299    HG3  PRO  40           HG3      PRO  40 -11.633  -2.806  -0.626
  300    HD2  PRO  40           HD2      PRO  40 -12.238  -2.931  -3.520
  301    HD3  PRO  40           HD3      PRO  40 -13.202  -2.298  -2.172
  302    H    TYR  41           H        TYR  41  -8.415   0.692  -1.911
  303    HA   TYR  41           HA       TYR  41  -6.930   0.187  -4.277
  304    HB2  TYR  41           HB2      TYR  41  -7.983   1.655  -5.621
  305    HB3  TYR  41           HB3      TYR  41  -8.926   2.302  -4.314
  306    HD1  TYR  41           HD2      TYR  41  -6.696   3.544  -2.726
  307    HD2  TYR  41           HD1      TYR  41  -7.521   3.607  -6.893
  308    HE1  TYR  41           HE2      TYR  41  -5.437   5.643  -2.940
  309    HE2  TYR  41           HE1      TYR  41  -6.283   5.700  -7.131
  310    HH   TYR  41           HH       TYR  41  -4.257   6.912  -4.608
  311    H    VAL  42           H        VAL  42  -4.805   0.835  -3.937
  312    HA   VAL  42           HA       VAL  42  -4.316   1.701  -1.188
  313    HB   VAL  42           HB       VAL  42  -2.429   0.371  -3.131
  314   HG11  VAL  42          HG11      VAL  42  -2.113   1.021  -0.206
  315   HG12  VAL  42          HG12      VAL  42  -0.964   0.113  -1.191
  316   HG13  VAL  42          HG13      VAL  42  -1.279   1.813  -1.544
  317   HG21  VAL  42          HG21      VAL  42  -3.891  -0.741  -0.737
  318   HG22  VAL  42          HG22      VAL  42  -4.196  -1.145  -2.426
  319   HG23  VAL  42          HG23      VAL  42  -2.665  -1.596  -1.674
  320    H    LYS  43           H        LYS  43  -3.584   3.599  -0.776
  321    HA   LYS  43           HA       LYS  43  -2.313   5.264  -2.809
  322    HB2  LYS  43           HB2      LYS  43  -3.247   5.822   0.011
  323    HB3  LYS  43           HB3      LYS  43  -2.384   6.992  -0.973
  324    HG2  LYS  43           HG2      LYS  43  -4.235   6.821  -2.641
  325    HG3  LYS  43           HG3      LYS  43  -5.113   5.837  -1.458
  326    HD2  LYS  43           HD2      LYS  43  -5.290   7.608   0.052
  327    HD3  LYS  43           HD3      LYS  43  -4.013   8.532  -0.738
  328    HE2  LYS  43           HE2      LYS  43  -6.746   7.946  -1.880
  329    HE3  LYS  43           HE3      LYS  43  -6.230   9.480  -1.183
  330    HZ1  LYS  43           HZ1      LYS  43  -4.569   9.678  -2.935
  331    HZ2  LYS  43           HZ2      LYS  43  -6.124   9.529  -3.592
  332    HZ3  LYS  43           HZ3      LYS  43  -5.072   8.205  -3.606
  333    H    VAL  44           H        VAL  44  -0.116   5.290  -2.941
  334    HA   VAL  44           HA       VAL  44   1.323   4.384  -0.511
  335    HB   VAL  44           HB       VAL  44   2.180   4.520  -3.391
  336   HG11  VAL  44          HG11      VAL  44   4.037   5.327  -2.047
  337   HG12  VAL  44          HG12      VAL  44   3.885   3.936  -0.973
  338   HG13  VAL  44          HG13      VAL  44   4.375   3.704  -2.651
  339   HG21  VAL  44          HG21      VAL  44   1.979   2.272  -1.392
  340   HG22  VAL  44          HG22      VAL  44   0.874   2.578  -2.732
  341   HG23  VAL  44          HG23      VAL  44   2.547   2.120  -3.054
  342    H    PHE  45           H        PHE  45   2.396   5.802   0.758
  343    HA   PHE  45           HA       PHE  45   3.550   8.150  -0.597
  344    HB2  PHE  45           HB2      PHE  45   2.510   8.423   2.198
  345    HB3  PHE  45           HB3      PHE  45   2.806   9.672   1.003
  346    HD1  PHE  45           HD1      PHE  45   1.125  10.219  -0.656
  347    HD2  PHE  45           HD2      PHE  45   0.437   7.230   2.291
  348    HE1  PHE  45           HE1      PHE  45  -1.286  10.327  -1.114
  349    HE2  PHE  45           HE2      PHE  45  -1.977   7.331   1.833
  350    HZ   PHE  45           HZ       PHE  45  -2.839   8.882   0.129
  351    H    LEU  46           H        LEU  46   5.191   9.140   0.665
  352    HA   LEU  46           HA       LEU  46   6.271   7.623   2.920
  353    HB2  LEU  46           HB2      LEU  46   7.776   9.337   0.938
  354    HB3  LEU  46           HB3      LEU  46   8.434   8.813   2.478
  355    HG   LEU  46           HG       LEU  46   7.884   7.210   0.028
  356   HD11  LEU  46          HD11      LEU  46  10.098   8.147   0.361
  357   HD12  LEU  46          HD12      LEU  46  10.204   7.367   1.940
  358   HD13  LEU  46          HD13      LEU  46  10.131   6.387   0.475
  359   HD21  LEU  46          HD21      LEU  46   8.234   6.048   2.779
  360   HD22  LEU  46          HD22      LEU  46   6.735   6.044   1.851
  361   HD23  LEU  46          HD23      LEU  46   8.139   5.156   1.258
  362    H    LEU  47           H        LEU  47   7.168   9.002   4.641
  363    HA   LEU  47           HA       LEU  47   5.565  11.369   4.992
  364    HB2  LEU  47           HB2      LEU  47   5.876  10.700   7.113
  365    HB3  LEU  47           HB3      LEU  47   7.196   9.640   6.650
  366    HG   LEU  47           HG       LEU  47   7.944  12.465   6.684
  367   HD11  LEU  47          HD11      LEU  47   7.153  11.117   9.273
  368   HD12  LEU  47          HD12      LEU  47   7.984  12.665   9.124
  369   HD13  LEU  47          HD13      LEU  47   6.331  12.492   8.535
  370   HD21  LEU  47          HD21      LEU  47   9.840  11.559   7.969
  371   HD22  LEU  47          HD22      LEU  47   9.054   9.981   7.989
  372   HD23  LEU  47          HD23      LEU  47   9.572  10.690   6.459
  373    HA   PRO  48           HA       PRO  48   6.804  14.938   3.407
  374    HB2  PRO  48           HB2      PRO  48   9.088  15.062   5.340
  375    HB3  PRO  48           HB3      PRO  48   8.100  16.383   4.695
  376    HG2  PRO  48           HG2      PRO  48   7.542  14.930   7.030
  377    HG3  PRO  48           HG3      PRO  48   6.394  15.952   6.150
  378    HD2  PRO  48           HD2      PRO  48   6.151  13.188   6.491
  379    HD3  PRO  48           HD3      PRO  48   5.329  14.132   5.224
  380    H    ASP  49           H        ASP  49   8.724  12.301   2.902
  381    HA   ASP  49           HA       ASP  49  10.359  13.657   0.928
  382    HB2  ASP  49           HB2      ASP  49  11.404  11.699   1.697
  383    HB3  ASP  49           HB3      ASP  49   9.893  10.800   1.755
  384    H    LYS  50           H        LYS  50   8.065  10.987   0.668
  385    HA   LYS  50           HA       LYS  50   6.318  10.532  -0.599
  386    HB2  LYS  50           HB2      LYS  50   5.789  12.989   0.360
  387    HB3  LYS  50           HB3      LYS  50   5.835  13.359  -1.362
  388    HG2  LYS  50           HG2      LYS  50   3.930  11.663   0.166
  389    HG3  LYS  50           HG3      LYS  50   3.627  12.829  -1.133
  390    HD2  LYS  50           HD2      LYS  50   4.729  11.250  -2.704
  391    HD3  LYS  50           HD3      LYS  50   4.841  10.085  -1.372
  392    HE2  LYS  50           HE2      LYS  50   2.903   9.567  -2.739
  393    HE3  LYS  50           HE3      LYS  50   2.350  10.192  -1.184
  394    HZ1  LYS  50           HZ1      LYS  50   2.510  11.720  -3.731
  395    HZ2  LYS  50           HZ2      LYS  50   2.048  12.373  -2.238
  396    HZ3  LYS  50           HZ3      LYS  50   1.090  11.182  -2.971
  397    H    LYS  51           H        LYS  51   8.714  10.224  -1.687
  398    HA   LYS  51           HA       LYS  51   8.511  11.219  -4.428
  399    HB2  LYS  51           HB2      LYS  51  10.485   9.696  -2.818
  400    HB3  LYS  51           HB3      LYS  51  10.549   9.532  -4.578
  401    HG2  LYS  51           HG2      LYS  51  10.821  12.053  -2.953
  402    HG3  LYS  51           HG3      LYS  51  12.069  11.257  -3.913
  403    HD2  LYS  51           HD2      LYS  51  10.955  11.798  -5.950
  404    HD3  LYS  51           HD3      LYS  51   9.523  12.362  -5.087
  405    HE2  LYS  51           HE2      LYS  51  10.834  14.188  -4.118
  406    HE3  LYS  51           HE3      LYS  51  12.262  13.620  -4.983
  407    HZ1  LYS  51           HZ1      LYS  51  11.105  15.491  -6.080
  408    HZ2  LYS  51           HZ2      LYS  51   9.751  14.497  -6.310
  409    HZ3  LYS  51           HZ3      LYS  51  11.219  14.113  -7.062
  410    H    LYS  52           H        LYS  52   6.241   9.889  -3.884
  411    HA   LYS  52           HA       LYS  52   6.620   7.122  -4.783
  412    HB2  LYS  52           HB2      LYS  52   4.771   7.800  -2.509
  413    HB3  LYS  52           HB3      LYS  52   5.375   6.226  -2.990
  414    HG2  LYS  52           HG2      LYS  52   7.284   8.276  -1.982
  415    HG3  LYS  52           HG3      LYS  52   6.257   7.407  -0.846
  416    HD2  LYS  52           HD2      LYS  52   7.963   5.941  -0.847
  417    HD3  LYS  52           HD3      LYS  52   7.177   5.346  -2.307
  418    HE2  LYS  52           HE2      LYS  52   9.536   5.591  -2.691
  419    HE3  LYS  52           HE3      LYS  52   8.655   6.773  -3.649
  420    HZ1  LYS  52           HZ1      LYS  52  10.562   7.801  -2.685
  421    HZ2  LYS  52           HZ2      LYS  52  10.137   7.281  -1.134
  422    HZ3  LYS  52           HZ3      LYS  52   9.190   8.433  -1.923
  423    H    LYS  53           H        LYS  53   5.560   8.014  -6.827
  424    HA   LYS  53           HA       LYS  53   2.768   8.466  -6.436
  425    HB2  LYS  53           HB2      LYS  53   4.258   9.238  -8.473
  426    HB3  LYS  53           HB3      LYS  53   3.720   7.680  -9.121
  427    HG2  LYS  53           HG2      LYS  53   1.387   8.424  -8.269
  428    HG3  LYS  53           HG3      LYS  53   2.123  10.034  -8.286
  429    HD2  LYS  53           HD2      LYS  53   0.985   9.719 -10.382
  430    HD3  LYS  53           HD3      LYS  53   2.724   9.696 -10.679
  431    HE2  LYS  53           HE2      LYS  53   1.648   7.939 -11.946
  432    HE3  LYS  53           HE3      LYS  53   2.668   7.237 -10.691
  433    HZ1  LYS  53           HZ1      LYS  53   0.687   6.895  -9.335
  434    HZ2  LYS  53           HZ2      LYS  53   0.547   6.111 -10.826
  435    HZ3  LYS  53           HZ3      LYS  53  -0.287   7.558 -10.553
  436    H    PHE  54           H        PHE  54   1.548   6.997  -5.831
  437    HA   PHE  54           HA       PHE  54   1.868   4.203  -6.608
  438    HB2  PHE  54           HB2      PHE  54   0.089   3.868  -4.954
  439    HB3  PHE  54           HB3      PHE  54   1.384   4.847  -4.255
  440    HD1  PHE  54           HD1      PHE  54   1.101   7.323  -4.062
  441    HD2  PHE  54           HD2      PHE  54  -2.103   4.776  -5.227
  442    HE1  PHE  54           HE1      PHE  54  -0.512   9.087  -3.508
  443    HE2  PHE  54           HE2      PHE  54  -3.714   6.545  -4.681
  444    HZ   PHE  54           HZ       PHE  54  -2.884   8.772  -3.944
  445    H    GLU  55           H        GLU  55   0.159   3.135  -7.851
  446    HA   GLU  55           HA       GLU  55  -2.383   4.363  -7.481
  447    HB2  GLU  55           HB2      GLU  55  -1.581   5.497  -9.557
  448    HB3  GLU  55           HB3      GLU  55  -1.491   3.929 -10.348
  449    HG2  GLU  55           HG2      GLU  55  -3.916   3.643  -9.958
  450    HG3  GLU  55           HG3      GLU  55  -3.967   5.274  -9.294
  451    H    THR  56           H        THR  56  -3.292   2.489  -6.552
  452    HA   THR  56           HA       THR  56  -3.275  -0.027  -7.868
  453    HB   THR  56           HB       THR  56  -5.598  -0.040  -6.525
  454    HG1  THR  56           HG1      THR  56  -5.689   1.969  -5.763
  455   HG21  THR  56          HG21      THR  56  -2.887  -0.187  -5.212
  456   HG22  THR  56          HG22      THR  56  -3.677  -1.502  -6.081
  457   HG23  THR  56          HG23      THR  56  -4.384  -0.879  -4.589
  458    H    LYS  57           H        LYS  57  -4.809  -0.929  -9.202
  459    HA   LYS  57           HA       LYS  57  -6.707   0.642 -10.625
  460    HB2  LYS  57           HB2      LYS  57  -5.692  -1.895 -10.870
  461    HB3  LYS  57           HB3      LYS  57  -7.293  -2.223 -10.223
  462    HG2  LYS  57           HG2      LYS  57  -7.447  -2.326 -12.577
  463    HG3  LYS  57           HG3      LYS  57  -8.230  -0.829 -12.074
  464    HD2  LYS  57           HD2      LYS  57  -6.882  -0.380 -14.014
  465    HD3  LYS  57           HD3      LYS  57  -6.134   0.391 -12.616
  466    HE2  LYS  57           HE2      LYS  57  -5.272  -2.354 -13.432
  467    HE3  LYS  57           HE3      LYS  57  -4.680  -0.958 -14.329
  468    HZ1  LYS  57           HZ1      LYS  57  -3.138  -1.563 -12.591
  469    HZ2  LYS  57           HZ2      LYS  57  -4.338  -1.432 -11.408
  470    HZ3  LYS  57           HZ3      LYS  57  -3.819  -0.049 -12.240
  471    H    VAL  58           H        VAL  58  -9.014   0.718 -10.212
  472    HA   VAL  58           HA       VAL  58  -9.689   0.614  -7.434
  473    HB   VAL  58           HB       VAL  58 -10.671   2.361  -8.809
  474   HG11  VAL  58          HG11      VAL  58 -12.042   0.152 -10.334
  475   HG12  VAL  58          HG12      VAL  58 -12.339   1.879 -10.533
  476   HG13  VAL  58          HG13      VAL  58 -10.763   1.202 -10.945
  477   HG21  VAL  58          HG21      VAL  58 -11.953   1.619  -6.882
  478   HG22  VAL  58          HG22      VAL  58 -13.027   2.111  -8.192
  479   HG23  VAL  58          HG23      VAL  58 -12.758   0.398  -7.869
  480    H    HIS  59           H        HIS  59 -10.546  -1.031  -6.343
  481    HA   HIS  59           HA       HIS  59 -11.003  -3.508  -7.858
  482    HB2  HIS  59           HB2      HIS  59 -10.589  -3.170  -4.876
  483    HB3  HIS  59           HB3      HIS  59 -10.524  -4.674  -5.792
  484    HD1  HIS  59           HD1      HIS  59  -8.244  -3.030  -4.009
  485    HD2  HIS  59           HD2      HIS  59  -8.359  -3.729  -8.101
  486    HE1  HIS  59           HE1      HIS  59  -5.859  -2.854  -4.785
  487    HE2  HIS  59           HE2      HIS  59  -5.974  -3.077  -7.293
  488    H    ARG  60           H        ARG  60 -13.145  -3.095  -8.467
  489    HA   ARG  60           HA       ARG  60 -14.927  -1.847  -6.668
  490    HB2  ARG  60           HB2      ARG  60 -16.625  -2.237  -8.481
  491    HB3  ARG  60           HB3      ARG  60 -15.198  -1.327  -8.949
  492    HG2  ARG  60           HG2      ARG  60 -15.441  -2.729 -10.738
  493    HG3  ARG  60           HG3      ARG  60 -14.323  -3.655  -9.735
  494    HD2  ARG  60           HD2      ARG  60 -16.267  -4.894  -8.818
  495    HD3  ARG  60           HD3      ARG  60 -17.302  -4.037  -9.957
  496    HE   ARG  60           HE       ARG  60 -15.769  -5.088 -11.713
  497   HH11  ARG  60          HH12      ARG  60 -16.517  -6.593  -8.636
  498   HH12  ARG  60          HH11      ARG  60 -16.365  -8.215  -9.252
  499   HH21  ARG  60          HH22      ARG  60 -15.534  -7.207 -12.506
  500   HH22  ARG  60          HH21      ARG  60 -15.782  -8.559 -11.440
  501    H    LYS  61           H        LYS  61 -16.018  -2.677  -5.102
  502    HA   LYS  61           HA       LYS  61 -17.816  -3.693  -4.198
  503    HB2  LYS  61           HB2      LYS  61 -17.998  -5.415  -6.673
  504    HB3  LYS  61           HB3      LYS  61 -19.269  -5.072  -5.505
  505    HG2  LYS  61           HG2      LYS  61 -17.999  -3.028  -7.315
  506    HG3  LYS  61           HG3      LYS  61 -19.531  -3.844  -7.624
  507    HD2  LYS  61           HD2      LYS  61 -20.571  -2.803  -5.777
  508    HD3  LYS  61           HD3      LYS  61 -19.026  -2.256  -5.121
  509    HE2  LYS  61           HE2      LYS  61 -19.802  -1.352  -7.846
  510    HE3  LYS  61           HE3      LYS  61 -20.625  -0.631  -6.465
  511    HZ1  LYS  61           HZ1      LYS  61 -18.740   0.393  -5.749
  512    HZ2  LYS  61           HZ2      LYS  61 -18.408   0.376  -7.411
  513    HZ3  LYS  61           HZ3      LYS  61 -17.693  -0.770  -6.393
  514    H    THR  62           H        THR  62 -15.428  -4.445  -3.305
  515    HA   THR  62           HA       THR  62 -15.943  -7.117  -2.443
  516    HB   THR  62           HB       THR  62 -13.941  -8.142  -3.075
  517    HG1  THR  62           HG1      THR  62 -13.001  -5.582  -3.266
  518   HG21  THR  62          HG21      THR  62 -14.685  -6.543  -5.503
  519   HG22  THR  62          HG22      THR  62 -15.363  -8.099  -5.023
  520   HG23  THR  62          HG23      THR  62 -13.671  -7.987  -5.509
  521    H    LEU  63           H        LEU  63 -15.493  -6.959  -0.307
  522    HA   LEU  63           HA       LEU  63 -13.871  -4.803   0.663
  523    HB2  LEU  63           HB2      LEU  63 -14.962  -7.205   2.092
  524    HB3  LEU  63           HB3      LEU  63 -14.044  -5.940   2.834
  525    HG   LEU  63           HG       LEU  63 -16.236  -5.414   3.389
  526   HD11  LEU  63          HD11      LEU  63 -15.707  -3.942   0.828
  527   HD12  LEU  63          HD12      LEU  63 -16.856  -3.464   2.077
  528   HD13  LEU  63          HD13      LEU  63 -15.128  -3.496   2.433
  529   HD21  LEU  63          HD21      LEU  63 -17.073  -6.078   0.573
  530   HD22  LEU  63          HD22      LEU  63 -17.297  -7.112   1.985
  531   HD23  LEU  63          HD23      LEU  63 -18.131  -5.564   1.885
  532    H    ASN  64           H        ASN  64 -13.206  -7.750  -0.712
  533    HA   ASN  64           HA       ASN  64 -10.607  -7.892   0.615
  534    HB2  ASN  64           HB2      ASN  64 -12.376  -9.511   1.616
  535    HB3  ASN  64           HB3      ASN  64 -12.169 -10.413   0.119
  536   HD21  ASN  64          HD21      ASN  64  -9.398 -10.026  -0.244
  537   HD22  ASN  64          HD22      ASN  64  -8.581 -10.885   1.009
  538    HA   PRO  65           HA       PRO  65 -10.329  -8.343  -3.933
  539    HB2  PRO  65           HB2      PRO  65  -8.797  -6.207  -4.386
  540    HB3  PRO  65           HB3      PRO  65 -10.530  -6.011  -4.091
  541    HG2  PRO  65           HG2      PRO  65  -8.240  -5.618  -2.185
  542    HG3  PRO  65           HG3      PRO  65  -9.665  -4.623  -2.432
  543    HD2  PRO  65           HD2      PRO  65  -9.404  -6.457  -0.432
  544    HD3  PRO  65           HD3      PRO  65 -10.959  -5.908  -1.087
  545    H    VAL  66           H        VAL  66  -8.629  -9.361  -4.972
  546    HA   VAL  66           HA       VAL  66  -5.995  -9.033  -3.718
  547    HB   VAL  66           HB       VAL  66  -5.349 -11.218  -3.908
  548   HG11  VAL  66          HG11      VAL  66  -7.161 -12.746  -3.232
  549   HG12  VAL  66          HG12      VAL  66  -7.190 -11.219  -2.350
  550   HG13  VAL  66          HG13      VAL  66  -8.346 -11.508  -3.652
  551   HG21  VAL  66          HG21      VAL  66  -7.414 -11.734  -6.061
  552   HG22  VAL  66          HG22      VAL  66  -5.685 -11.494  -6.307
  553   HG23  VAL  66          HG23      VAL  66  -6.263 -12.913  -5.434
  554    H    PHE  67           H        PHE  67  -4.914  -7.719  -4.951
  555    HA   PHE  67           HA       PHE  67  -5.714  -7.748  -7.726
  556    HB2  PHE  67           HB2      PHE  67  -5.567  -5.525  -6.553
  557    HB3  PHE  67           HB3      PHE  67  -3.808  -5.684  -6.715
  558    HD1  PHE  67           HD1      PHE  67  -2.750  -5.679  -8.896
  559    HD2  PHE  67           HD2      PHE  67  -6.957  -5.197  -8.519
  560    HE1  PHE  67           HE1      PHE  67  -2.855  -4.826 -11.195
  561    HE2  PHE  67           HE2      PHE  67  -7.074  -4.356 -10.828
  562    HZ   PHE  67           HZ       PHE  67  -5.083  -4.382 -12.238
  563    H    ASN  68           H        ASN  68  -2.790  -8.371  -5.881
  564    HA   ASN  68           HA       ASN  68  -0.640  -8.675  -6.489
  565    HB2  ASN  68           HB2      ASN  68  -1.882  -9.713  -9.031
  566    HB3  ASN  68           HB3      ASN  68  -0.155  -9.770  -8.695
  567   HD21  ASN  68          HD21      ASN  68  -2.293 -11.783  -9.051
  568   HD22  ASN  68          HD22      ASN  68  -2.115 -12.868  -7.716
  569    H    GLU  69           H        GLU  69  -0.541  -6.471  -6.296
  570    HA   GLU  69           HA       GLU  69   0.003  -5.000  -8.784
  571    HB2  GLU  69           HB2      GLU  69  -2.332  -4.538  -7.535
  572    HB3  GLU  69           HB3      GLU  69  -1.320  -3.483  -6.552
  573    HG2  GLU  69           HG2      GLU  69  -0.890  -2.048  -8.275
  574    HG3  GLU  69           HG3      GLU  69  -1.166  -3.269  -9.515
  575    H    GLN  70           H        GLN  70   2.083  -4.403  -8.663
  576    HA   GLN  70           HA       GLN  70   3.407  -4.016  -6.204
  577    HB2  GLN  70           HB2      GLN  70   5.352  -3.888  -7.363
  578    HB3  GLN  70           HB3      GLN  70   4.382  -4.859  -8.428
  579    HG2  GLN  70           HG2      GLN  70   5.370  -3.488  -9.920
  580    HG3  GLN  70           HG3      GLN  70   3.920  -2.543  -9.563
  581   HE21  GLN  70          HE21      GLN  70   5.952  -2.739  -6.926
  582   HE22  GLN  70          HE22      GLN  70   6.763  -1.211  -7.094
  583    H    PHE  71           H        PHE  71   3.633  -2.336  -5.065
  584    HA   PHE  71           HA       PHE  71   2.987   0.255  -6.264
  585    HB2  PHE  71           HB2      PHE  71   3.454  -0.391  -3.355
  586    HB3  PHE  71           HB3      PHE  71   2.762   1.091  -4.021
  587    HD1  PHE  71           HD1      PHE  71   0.555   1.025  -5.135
  588    HD2  PHE  71           HD2      PHE  71   2.145  -2.310  -3.038
  589    HE1  PHE  71           HE1      PHE  71  -1.700   0.058  -4.977
  590    HE2  PHE  71           HE2      PHE  71  -0.097  -3.289  -2.887
  591    HZ   PHE  71           HZ       PHE  71  -1.999  -2.180  -4.028
  592    H    THR  72           H        THR  72   4.708   0.677  -7.378
  593    HA   THR  72           HA       THR  72   7.341   0.947  -6.966
  594    HB   THR  72           HB       THR  72   5.678   3.301  -7.869
  595    HG1  THR  72           HG1      THR  72   5.903   0.742  -8.978
  596   HG21  THR  72          HG21      THR  72   8.072   3.674  -7.849
  597   HG22  THR  72          HG22      THR  72   7.507   3.554  -9.516
  598   HG23  THR  72          HG23      THR  72   8.338   2.190  -8.767
  599    H    PHE  73           H        PHE  73   8.401   1.538  -5.168
  600    HA   PHE  73           HA       PHE  73   7.563   4.049  -3.966
  601    HB2  PHE  73           HB2      PHE  73   9.471   1.971  -2.823
  602    HB3  PHE  73           HB3      PHE  73   8.981   3.451  -2.025
  603    HD1  PHE  73           HD2      PHE  73   5.970   2.809  -3.162
  604    HD2  PHE  73           HD1      PHE  73   8.861   0.868  -0.723
  605    HE1  PHE  73           HE2      PHE  73   4.176   1.575  -2.015
  606    HE2  PHE  73           HE1      PHE  73   7.072  -0.363   0.427
  607    HZ   PHE  73           HZ       PHE  73   4.725  -0.009  -0.217
  608    H    LYS  74           H        LYS  74   8.713   5.597  -5.189
  609    HA   LYS  74           HA       LYS  74  11.292   5.007  -6.284
  610    HB2  LYS  74           HB2      LYS  74   9.844   7.655  -6.100
  611    HB3  LYS  74           HB3      LYS  74  11.267   7.333  -7.077
  612    HG2  LYS  74           HG2      LYS  74   9.023   5.533  -7.592
  613    HG3  LYS  74           HG3      LYS  74   8.708   7.238  -7.956
  614    HD2  LYS  74           HD2      LYS  74   9.629   6.015  -9.905
  615    HD3  LYS  74           HD3      LYS  74  10.705   7.307  -9.372
  616    HE2  LYS  74           HE2      LYS  74  11.984   5.590  -8.081
  617    HE3  LYS  74           HE3      LYS  74  10.987   4.353  -8.842
  618    HZ1  LYS  74           HZ1      LYS  74  11.810   5.086 -11.002
  619    HZ2  LYS  74           HZ2      LYS  74  13.080   4.610  -9.989
  620    HZ3  LYS  74           HZ3      LYS  74  12.784   6.254 -10.251
  621    H    VAL  75           H        VAL  75  12.178   4.450  -4.191
  622    HA   VAL  75           HA       VAL  75  13.682   6.686  -3.121
  623    HB   VAL  75           HB       VAL  75  12.092   6.660  -1.344
  624   HG11  VAL  75          HG11      VAL  75  10.884   4.647  -2.063
  625   HG12  VAL  75          HG12      VAL  75  12.179   3.647  -1.404
  626   HG13  VAL  75          HG13      VAL  75  11.200   4.643  -0.328
  627   HG21  VAL  75          HG21      VAL  75  14.362   6.532  -0.521
  628   HG22  VAL  75          HG22      VAL  75  13.255   5.688   0.562
  629   HG23  VAL  75          HG23      VAL  75  14.287   4.771  -0.537
  630    HA   PRO  76           HA       PRO  76  16.638   3.295  -3.809
  631    HB2  PRO  76           HB2      PRO  76  18.316   5.293  -2.336
  632    HB3  PRO  76           HB3      PRO  76  18.684   4.395  -3.820
  633    HG2  PRO  76           HG2      PRO  76  18.034   6.918  -4.058
  634    HG3  PRO  76           HG3      PRO  76  17.235   5.722  -5.121
  635    HD2  PRO  76           HD2      PRO  76  16.187   6.967  -2.583
  636    HD3  PRO  76           HD3      PRO  76  15.396   6.839  -4.174
  637    H    TYR  77           H        TYR  77  17.534   1.758  -2.392
  638    HA   TYR  77           HA       TYR  77  16.206   1.623   0.099
  639    HB2  TYR  77           HB2      TYR  77  17.497  -0.459   0.463
  640    HB3  TYR  77           HB3      TYR  77  16.662  -0.401  -1.091
  641    HD1  TYR  77           HD2      TYR  77  18.053   0.222  -3.150
  642    HD2  TYR  77           HD1      TYR  77  19.791  -0.909   0.566
  643    HE1  TYR  77           HE2      TYR  77  20.170  -0.283  -4.294
  644    HE2  TYR  77           HE1      TYR  77  21.908  -1.411  -0.571
  645    HH   TYR  77           HH       TYR  77  22.622  -0.384  -3.660
  646    H    SER  78           H        SER  78  19.552   2.425  -0.768
  647    HA   SER  78           HA       SER  78  20.515   2.915   1.810
  648    HB2  SER  78           HB2      SER  78  21.183   4.480  -0.692
  649    HB3  SER  78           HB3      SER  78  22.194   4.289   0.744
  650    HG   SER  78           HG       SER  78  22.890   2.478  -0.043
  651    H    GLU  79           H        GLU  79  18.368   4.790  -0.214
  652    HA   GLU  79           HA       GLU  79  18.495   7.152   1.468
  653    HB2  GLU  79           HB2      GLU  79  17.230   6.457  -1.139
  654    HB3  GLU  79           HB3      GLU  79  16.460   7.711  -0.174
  655    HG2  GLU  79           HG2      GLU  79  18.589   8.942  -0.132
  656    HG3  GLU  79           HG3      GLU  79  19.299   7.701  -1.166
  657    H    LEU  80           H        LEU  80  16.768   4.273   1.211
  658    HA   LEU  80           HA       LEU  80  14.242   4.990   2.186
  659    HB2  LEU  80           HB2      LEU  80  14.057   2.879   1.393
  660    HB3  LEU  80           HB3      LEU  80  15.760   2.553   1.653
  661    HG   LEU  80           HG       LEU  80  13.961   2.526   4.036
  662   HD11  LEU  80          HD11      LEU  80  13.381   0.199   3.618
  663   HD12  LEU  80          HD12      LEU  80  12.737   1.240   2.349
  664   HD13  LEU  80          HD13      LEU  80  14.179   0.270   2.046
  665   HD21  LEU  80          HD21      LEU  80  16.344   0.882   3.177
  666   HD22  LEU  80          HD22      LEU  80  16.365   2.222   4.322
  667   HD23  LEU  80          HD23      LEU  80  15.498   0.738   4.719
  668    H    GLY  81           H        GLY  81  17.269   4.248   3.746
  669    HA2  GLY  81           HA3      GLY  81  16.611   3.856   6.362
  670    HA3  GLY  81           HA2      GLY  81  18.017   4.772   5.838
  671    H    GLY  82           H        GLY  82  16.917   7.067   4.813
  672    HA2  GLY  82           HA3      GLY  82  16.306   8.514   7.175
  673    HA3  GLY  82           HA2      GLY  82  16.254   9.142   5.540
  674    H    LYS  83           H        LYS  83  14.227   7.277   4.584
  675    HA   LYS  83           HA       LYS  83  12.115   9.115   5.341
  676    HB2  LYS  83           HB2      LYS  83  12.292   7.158   3.044
  677    HB3  LYS  83           HB3      LYS  83  11.129   8.475   3.217
  678    HG2  LYS  83           HG2      LYS  83  12.850  10.120   3.049
  679    HG3  LYS  83           HG3      LYS  83  14.107   8.891   3.126
  680    HD2  LYS  83           HD2      LYS  83  13.296   8.002   0.958
  681    HD3  LYS  83           HD3      LYS  83  12.145   9.342   0.881
  682    HE2  LYS  83           HE2      LYS  83  14.141  10.886   1.156
  683    HE3  LYS  83           HE3      LYS  83  15.154   9.475   0.866
  684    HZ1  LYS  83           HZ1      LYS  83  14.799  10.743  -1.155
  685    HZ2  LYS  83           HZ2      LYS  83  13.118  10.570  -1.007
  686    HZ3  LYS  83           HZ3      LYS  83  14.093   9.212  -1.296
  687    H    THR  84           H        THR  84   9.926   8.406   5.768
  688    HA   THR  84           HA       THR  84   9.854   5.641   6.809
  689    HB   THR  84           HB       THR  84   8.334   6.267   8.530
  690    HG1  THR  84           HG1      THR  84   7.352   7.919   7.007
  691   HG21  THR  84          HG21      THR  84   9.580   7.919   9.823
  692   HG22  THR  84          HG22      THR  84  10.440   8.428   8.369
  693   HG23  THR  84          HG23      THR  84  10.684   6.805   9.017
  694    H    LEU  85           H        LEU  85   8.172   4.348   6.211
  695    HA   LEU  85           HA       LEU  85   6.818   5.249   3.826
  696    HB2  LEU  85           HB2      LEU  85   8.012   2.873   4.788
  697    HB3  LEU  85           HB3      LEU  85   6.308   2.542   4.566
  698    HG   LEU  85           HG       LEU  85   7.949   3.787   2.397
  699   HD11  LEU  85          HD11      LEU  85   8.998   1.697   3.223
  700   HD12  LEU  85          HD12      LEU  85   7.477   0.860   2.906
  701   HD13  LEU  85          HD13      LEU  85   8.384   1.564   1.568
  702   HD21  LEU  85          HD21      LEU  85   5.432   2.120   2.397
  703   HD22  LEU  85          HD22      LEU  85   5.508   3.869   2.184
  704   HD23  LEU  85          HD23      LEU  85   6.225   2.801   0.976
  705    H    VAL  86           H        VAL  86   4.667   5.533   3.713
  706    HA   VAL  86           HA       VAL  86   3.012   3.983   5.503
  707    HB   VAL  86           HB       VAL  86   1.249   5.514   5.722
  708   HG11  VAL  86          HG11      VAL  86   2.960   5.623   7.428
  709   HG12  VAL  86          HG12      VAL  86   3.862   6.821   6.500
  710   HG13  VAL  86          HG13      VAL  86   2.278   7.228   7.165
  711   HG21  VAL  86          HG21      VAL  86   1.395   6.733   3.638
  712   HG22  VAL  86          HG22      VAL  86   1.432   7.882   4.976
  713   HG23  VAL  86          HG23      VAL  86   2.922   7.471   4.125
  714    H    MET  87           H        MET  87   1.178   3.104   4.598
  715    HA   MET  87           HA       MET  87   0.683   3.610   1.757
  716    HB2  MET  87           HB2      MET  87   2.291   1.881   1.613
  717    HB3  MET  87           HB3      MET  87   1.597   1.006   2.962
  718    HG2  MET  87           HG2      MET  87  -0.387   0.553   1.512
  719    HG3  MET  87           HG3      MET  87   0.541   1.230   0.170
  720    HE1  MET  87           HE1      MET  87   0.720  -2.638  -0.494
  721    HE2  MET  87           HE2      MET  87  -0.641  -1.753   0.196
  722    HE3  MET  87           HE3      MET  87   0.262  -1.068  -1.154
  723    H    ALA  88           H        ALA  88  -1.560   3.387   1.305
  724    HA   ALA  88           HA       ALA  88  -3.195   2.814   3.680
  725    HB1  ALA  88           HB1      ALA  88  -2.877   5.435   2.248
  726    HB2  ALA  88           HB2      ALA  88  -4.412   5.039   3.065
  727    HB3  ALA  88           HB3      ALA  88  -2.894   5.106   3.981
  728    H    VAL  89           H        VAL  89  -4.682   1.372   2.936
  729    HA   VAL  89           HA       VAL  89  -5.647   1.518   0.260
  730    HB   VAL  89           HB       VAL  89  -7.422  -0.082   1.103
  731   HG11  VAL  89          HG11      VAL  89  -5.875  -1.966   1.261
  732   HG12  VAL  89          HG12      VAL  89  -5.380  -0.842  -0.004
  733   HG13  VAL  89          HG13      VAL  89  -4.540  -0.849   1.546
  734   HG21  VAL  89          HG21      VAL  89  -5.735  -0.010   3.594
  735   HG22  VAL  89          HG22      VAL  89  -7.389   0.584   3.450
  736   HG23  VAL  89          HG23      VAL  89  -7.052  -1.136   3.264
  737    H    TYR  90           H        TYR  90  -6.957   2.962  -0.437
  738    HA   TYR  90           HA       TYR  90  -8.731   4.379   1.407
  739    HB2  TYR  90           HB2      TYR  90  -7.376   6.095   0.710
  740    HB3  TYR  90           HB3      TYR  90  -6.912   5.265  -0.768
  741    HD1  TYR  90           HD1      TYR  90  -9.497   7.375   0.795
  742    HD2  TYR  90           HD2      TYR  90  -8.056   5.650  -2.810
  743    HE1  TYR  90           HE1      TYR  90 -10.996   8.827  -0.499
  744    HE2  TYR  90           HE2      TYR  90  -9.548   7.098  -4.115
  745    HH   TYR  90           HH       TYR  90 -11.518   8.385  -3.885
  746    H    ASP  91           H        ASP  91 -10.809   4.366   0.910
  747    HA   ASP  91           HA       ASP  91 -11.570   2.688  -1.351
  748    HB2  ASP  91           HB2      ASP  91 -12.300   2.580   1.224
  749    HB3  ASP  91           HB3      ASP  91 -13.641   3.521   0.551
  750    H    PHE  92           H        PHE  92 -12.511   3.447  -3.103
  751    HA   PHE  92           HA       PHE  92 -13.226   6.272  -3.206
  752    HB2  PHE  92           HB2      PHE  92 -11.982   5.058  -5.064
  753    HB3  PHE  92           HB3      PHE  92 -13.491   4.222  -5.414
  754    HD1  PHE  92           HD2      PHE  92 -12.074   7.640  -5.062
  755    HD2  PHE  92           HD1      PHE  92 -14.990   5.151  -6.907
  756    HE1  PHE  92           HE2      PHE  92 -12.773   9.520  -6.484
  757    HE2  PHE  92           HE1      PHE  92 -15.690   7.025  -8.336
  758    HZ   PHE  92           HZ       PHE  92 -14.584   9.214  -8.124
  759    H    ASP  93           H        ASP  93 -15.189   6.735  -2.251
  760    HA   ASP  93           HA       ASP  93 -17.184   4.609  -2.312
  761    HB2  ASP  93           HB2      ASP  93 -18.336   5.958  -0.565
  762    HB3  ASP  93           HB3      ASP  93 -16.707   5.447  -0.136
  763    H    ARG  94           H        ARG  94 -16.479   7.112  -4.227
  764    HA   ARG  94           HA       ARG  94 -17.462   7.682  -6.183
  765    HB2  ARG  94           HB2      ARG  94 -19.544   5.645  -5.416
  766    HB3  ARG  94           HB3      ARG  94 -19.237   6.268  -7.033
  767    HG2  ARG  94           HG2      ARG  94 -17.114   5.203  -7.131
  768    HG3  ARG  94           HG3      ARG  94 -17.171   4.798  -5.415
  769    HD2  ARG  94           HD2      ARG  94 -17.662   2.841  -6.754
  770    HD3  ARG  94           HD3      ARG  94 -19.087   3.329  -5.839
  771    HE   ARG  94           HE       ARG  94 -18.889   4.314  -8.572
  772   HH11  ARG  94          HH12      ARG  94 -20.289   2.024  -6.306
  773   HH12  ARG  94          HH11      ARG  94 -21.522   1.500  -7.420
  774   HH21  ARG  94          HH22      ARG  94 -20.515   3.630 -10.021
  775   HH22  ARG  94          HH21      ARG  94 -21.646   2.404  -9.534
  776    H    PHE  95           H        PHE  95 -19.050   8.416  -3.309
  777    HA   PHE  95           HA       PHE  95 -20.575  10.465  -4.651
  778    HB2  PHE  95           HB2      PHE  95 -22.112   8.526  -4.765
  779    HB3  PHE  95           HB3      PHE  95 -22.057   8.400  -3.008
  780    HD1  PHE  95           HD1      PHE  95 -22.919  10.754  -5.750
  781    HD2  PHE  95           HD2      PHE  95 -23.590   9.569  -1.718
  782    HE1  PHE  95           HE1      PHE  95 -24.771  12.364  -5.588
  783    HE2  PHE  95           HE2      PHE  95 -25.442  11.176  -1.550
  784    HZ   PHE  95           HZ       PHE  95 -26.033  12.579  -3.486
  785    H    SER  96           H        SER  96 -20.374   8.785  -1.510
  786    HA   SER  96           HA       SER  96 -20.753  11.177  -0.013
  787    HB2  SER  96           HB2      SER  96 -19.975   9.660   1.895
  788    HB3  SER  96           HB3      SER  96 -21.413   9.131   1.020
  789    HG   SER  96           HG       SER  96 -18.750   8.159   0.819
  790    H    LYS  97           H        LYS  97 -18.927  11.636   1.769
  791    HA   LYS  97           HA       LYS  97 -16.547  12.254   0.328
  792    HB2  LYS  97           HB2      LYS  97 -17.083  12.374   3.303
  793    HB3  LYS  97           HB3      LYS  97 -15.682  13.064   2.495
  794    HG2  LYS  97           HG2      LYS  97 -17.162  14.570   1.244
  795    HG3  LYS  97           HG3      LYS  97 -18.549  13.892   2.102
  796    HD2  LYS  97           HD2      LYS  97 -17.623  14.644   4.224
  797    HD3  LYS  97           HD3      LYS  97 -16.202  15.282   3.396
  798    HE2  LYS  97           HE2      LYS  97 -17.622  16.851   2.173
  799    HE3  LYS  97           HE3      LYS  97 -19.043  16.209   2.997
  800    HZ1  LYS  97           HZ1      LYS  97 -18.069  16.925   5.110
  801    HZ2  LYS  97           HZ2      LYS  97 -18.303  18.231   4.051
  802    HZ3  LYS  97           HZ3      LYS  97 -16.748  17.591   4.281
  803    H    HIS  98           H        HIS  98 -14.981  10.972  -0.074
  804    HA   HIS  98           HA       HIS  98 -15.049   8.292   0.648
  805    HB2  HIS  98           HB2      HIS  98 -12.689   8.360  -0.471
  806    HB3  HIS  98           HB3      HIS  98 -14.130   8.659  -1.436
  807    HD1  HIS  98           HD1      HIS  98 -14.325  10.870  -2.589
  808    HD2  HIS  98           HD2      HIS  98 -11.174  10.758   0.128
  809    HE1  HIS  98           HE1      HIS  98 -13.012  12.983  -2.979
  810    HE2  HIS  98           HE2      HIS  98 -10.994  12.778  -1.483
  811    H    ASP  99           H        ASP  99 -14.599   7.494   2.455
  812    HA   ASP  99           HA       ASP  99 -12.562   8.595   4.209
  813    HB2  ASP  99           HB2      ASP  99 -14.557   6.364   4.464
  814    HB3  ASP  99           HB3      ASP  99 -13.213   6.489   5.592
  815    H    ILE 100           H        ILE 100 -10.439   7.947   4.155
  816    HA   ILE 100           HA       ILE 100  -9.591   5.627   2.790
  817    HB   ILE 100           HB       ILE 100  -8.286   7.125   5.090
  818   HG12  ILE 100          HG12      ILE 100  -6.715   7.854   3.179
  819   HG13  ILE 100          HG13      ILE 100  -7.984   7.305   2.093
  820   HG21  ILE 100          HG21      ILE 100  -7.468   4.843   4.996
  821   HG22  ILE 100          HG22      ILE 100  -7.106   5.024   3.279
  822   HG23  ILE 100          HG23      ILE 100  -6.218   5.971   4.472
  823   HD11  ILE 100          HD11      ILE 100  -8.081   9.710   2.462
  824   HD12  ILE 100          HD12      ILE 100  -9.529   8.911   3.076
  825   HD13  ILE 100          HD13      ILE 100  -8.274   9.442   4.195
  826    H    ILE 101           H        ILE 101  -9.723   3.568   3.434
  827    HA   ILE 101           HA       ILE 101 -11.399   3.017   5.675
  828    HB   ILE 101           HB       ILE 101 -11.187   0.629   4.969
  829   HG12  ILE 101          HG12      ILE 101  -9.225   1.864   3.126
  830   HG13  ILE 101          HG13      ILE 101  -9.240   0.265   3.852
  831   HG21  ILE 101          HG21      ILE 101 -13.027   2.007   4.239
  832   HG22  ILE 101          HG22      ILE 101 -12.068   2.629   2.897
  833   HG23  ILE 101          HG23      ILE 101 -12.534   0.929   2.932
  834   HD11  ILE 101          HD11      ILE 101 -10.936  -0.454   2.239
  835   HD12  ILE 101          HD12      ILE 101 -10.885   1.142   1.490
  836   HD13  ILE 101          HD13      ILE 101  -9.459   0.105   1.453
  837    H    GLY 102           H        GLY 102  -8.068   2.280   4.721
  838    HA2  GLY 102           HA3      GLY 102  -7.244   2.801   7.360
  839    HA3  GLY 102           HA2      GLY 102  -7.214   1.074   7.061
  840    H    GLU 103           H        GLU 103  -4.951   1.093   7.405
  841    HA   GLU 103           HA       GLU 103  -3.190   1.954   5.389
  842    HB2  GLU 103           HB2      GLU 103  -3.467   4.193   5.925
  843    HB3  GLU 103           HB3      GLU 103  -3.896   3.851   7.590
  844    HG2  GLU 103           HG2      GLU 103  -1.858   4.935   7.754
  845    HG3  GLU 103           HG3      GLU 103  -1.429   3.233   7.897
  846    H    PHE 104           H        PHE 104  -1.076   1.306   5.895
  847    HA   PHE 104           HA       PHE 104  -0.275   0.875   8.584
  848    HB2  PHE 104           HB2      PHE 104  -1.545  -1.311   7.929
  849    HB3  PHE 104           HB3      PHE 104  -0.055  -1.653   7.042
  850    HD1  PHE 104           HD1      PHE 104  -1.537  -1.176  10.351
  851    HD2  PHE 104           HD2      PHE 104   2.026  -2.014   8.186
  852    HE1  PHE 104           HE1      PHE 104  -0.465  -1.951  12.424
  853    HE2  PHE 104           HE2      PHE 104   3.107  -2.786  10.254
  854    HZ   PHE 104           HZ       PHE 104   1.875  -2.619  12.417
  855    H    LYS 105           H        LYS 105   1.812   1.404   8.583
  856    HA   LYS 105           HA       LYS 105   3.463   0.219   6.564
  857    HB2  LYS 105           HB2      LYS 105   2.696   2.640   5.936
  858    HB3  LYS 105           HB3      LYS 105   4.177   2.985   6.832
  859    HG2  LYS 105           HG2      LYS 105   4.886   2.681   4.613
  860    HG3  LYS 105           HG3      LYS 105   5.282   1.168   5.416
  861    HD2  LYS 105           HD2      LYS 105   2.703   1.491   3.953
  862    HD3  LYS 105           HD3      LYS 105   4.189   1.122   3.086
  863    HE2  LYS 105           HE2      LYS 105   4.301  -0.994   3.907
  864    HE3  LYS 105           HE3      LYS 105   3.546  -0.554   5.442
  865    HZ1  LYS 105           HZ1      LYS 105   2.047  -1.912   4.159
  866    HZ2  LYS 105           HZ2      LYS 105   2.161  -0.870   2.829
  867    HZ3  LYS 105           HZ3      LYS 105   1.421  -0.330   4.271
  868    H    VAL 106           H        VAL 106   5.764   1.656   7.070
  869    HA   VAL 106           HA       VAL 106   6.531   0.771   9.665
  870    HB   VAL 106           HB       VAL 106   6.340  -1.429   8.655
  871   HG11  VAL 106          HG11      VAL 106   8.076  -0.376   6.426
  872   HG12  VAL 106          HG12      VAL 106   7.614  -2.065   6.650
  873   HG13  VAL 106          HG13      VAL 106   6.381  -0.851   6.311
  874   HG21  VAL 106          HG21      VAL 106   8.245  -1.058  10.124
  875   HG22  VAL 106          HG22      VAL 106   8.632  -2.231   8.866
  876   HG23  VAL 106          HG23      VAL 106   9.230  -0.576   8.742
  877    HA   PRO 107           HA       PRO 107   9.147   4.153   8.354
  878    HB2  PRO 107           HB2      PRO 107  11.068   3.746  10.307
  879    HB3  PRO 107           HB3      PRO 107   9.607   4.727  10.508
  880    HG2  PRO 107           HG2      PRO 107  10.069   1.866  11.251
  881    HG3  PRO 107           HG3      PRO 107   9.293   3.146  12.207
  882    HD2  PRO 107           HD2      PRO 107   7.781   1.383  10.956
  883    HD3  PRO 107           HD3      PRO 107   7.359   3.109  10.867
  884    H    MET 108           H        MET 108  10.626   4.047   6.846
  885    HA   MET 108           HA       MET 108  11.118   1.548   5.699
  886    HB2  MET 108           HB2      MET 108  12.470   4.157   5.048
  887    HB3  MET 108           HB3      MET 108  12.348   2.758   3.989
  888    HG2  MET 108           HG2      MET 108   9.834   3.089   4.144
  889    HG3  MET 108           HG3      MET 108  10.211   4.651   4.878
  890    HE1  MET 108           HE1      MET 108  12.120   2.708   2.074
  891    HE2  MET 108           HE2      MET 108  10.418   2.425   1.708
  892    HE3  MET 108           HE3      MET 108  11.402   3.408   0.623
  893    H    ASN 109           H        ASN 109  12.932   3.537   7.819
  894    HA   ASN 109           HA       ASN 109  15.512   2.524   7.322
  895    HB2  ASN 109           HB2      ASN 109  15.664   3.263   9.922
  896    HB3  ASN 109           HB3      ASN 109  15.774   4.381   8.571
  897   HD21  ASN 109          HD21      ASN 109  14.021   5.699   8.066
  898   HD22  ASN 109          HD22      ASN 109  12.745   5.980   9.211
  899    H    THR 110           H        THR 110  12.819   1.069   8.879
  900    HA   THR 110           HA       THR 110  14.560  -0.665  10.470
  901    HB   THR 110           HB       THR 110  12.450  -1.615  11.405
  902    HG1  THR 110           HG1      THR 110  11.314   0.344   9.696
  903   HG21  THR 110          HG21      THR 110  13.642   0.143  12.590
  904   HG22  THR 110          HG22      THR 110  11.901   0.348  12.782
  905   HG23  THR 110          HG23      THR 110  12.792   1.374  11.658
  906    H    VAL 111           H        VAL 111  12.674  -0.648   7.566
  907    HA   VAL 111           HA       VAL 111  12.902  -3.537   7.348
  908    HB   VAL 111           HB       VAL 111  10.758  -2.663   6.687
  909   HG11  VAL 111          HG11      VAL 111  10.468  -1.167   4.776
  910   HG12  VAL 111          HG12      VAL 111  11.395  -0.400   6.065
  911   HG13  VAL 111          HG13      VAL 111  12.218  -1.012   4.631
  912   HG21  VAL 111          HG21      VAL 111  10.585  -3.588   4.425
  913   HG22  VAL 111          HG22      VAL 111  12.344  -3.583   4.296
  914   HG23  VAL 111          HG23      VAL 111  11.549  -4.612   5.490
  915    H    ASP 112           H        ASP 112  14.741  -4.311   6.666
  916    HA   ASP 112           HA       ASP 112  16.461  -2.782   4.922
  917    HB2  ASP 112           HB2      ASP 112  18.062  -4.613   5.188
  918    HB3  ASP 112           HB3      ASP 112  17.464  -4.061   6.747
  919    H    PHE 113           H        PHE 113  16.169  -2.756   2.795
  920    HA   PHE 113           HA       PHE 113  15.022  -5.096   1.483
  921    HB2  PHE 113           HB2      PHE 113  15.470  -2.258   0.643
  922    HB3  PHE 113           HB3      PHE 113  15.280  -3.509  -0.584
  923    HD1  PHE 113           HD1      PHE 113  13.634  -1.851   2.277
  924    HD2  PHE 113           HD2      PHE 113  13.172  -4.446  -1.064
  925    HE1  PHE 113           HE1      PHE 113  11.191  -1.732   2.527
  926    HE2  PHE 113           HE2      PHE 113  10.727  -4.325  -0.821
  927    HZ   PHE 113           HZ       PHE 113   9.734  -2.969   0.974
  928    H    GLY 114           H        GLY 114  17.083  -6.057   2.335
  929    HA2  GLY 114           HA3      GLY 114  19.403  -5.840   0.674
  930    HA3  GLY 114           HA2      GLY 114  19.063  -7.111   1.843
  931    H    HIS 115           H        HIS 115  16.660  -8.025   0.898
  932    HA   HIS 115           HA       HIS 115  17.460  -9.247  -1.641
  933    HB2  HIS 115           HB2      HIS 115  16.387 -11.379  -0.751
  934    HB3  HIS 115           HB3      HIS 115  17.918 -10.930  -0.018
  935    HD1  HIS 115           HD1      HIS 115  14.636 -12.057   0.856
  936    HD2  HIS 115           HD2      HIS 115  17.428  -9.508   2.592
  937    HE1  HIS 115           HE1      HIS 115  13.971 -11.867   3.272
  938    HE2  HIS 115           HE2      HIS 115  15.533 -10.130   4.237
  939    H    VAL 116           H        VAL 116  14.736 -10.747  -0.676
  940    HA   VAL 116           HA       VAL 116  12.932  -8.660  -1.702
  941    HB   VAL 116           HB       VAL 116  12.497 -11.653  -1.870
  942   HG11  VAL 116          HG11      VAL 116  10.435 -10.378  -1.781
  943   HG12  VAL 116          HG12      VAL 116  10.996  -9.340  -3.092
  944   HG13  VAL 116          HG13      VAL 116  10.668 -11.047  -3.397
  945   HG21  VAL 116          HG21      VAL 116  13.374  -9.739  -4.031
  946   HG22  VAL 116          HG22      VAL 116  14.343 -11.030  -3.321
  947   HG23  VAL 116          HG23      VAL 116  12.918 -11.425  -4.283
  948    H    THR 117           H        THR 117  11.538  -7.946  -0.208
  949    HA   THR 117           HA       THR 117  11.329  -9.402   2.302
  950    HB   THR 117           HB       THR 117  10.440  -6.619   1.539
  951    HG1  THR 117           HG1      THR 117  12.566  -7.725   3.062
  952   HG21  THR 117          HG21      THR 117   9.996  -6.296   3.938
  953   HG22  THR 117          HG22      THR 117  10.324  -8.003   4.228
  954   HG23  THR 117          HG23      THR 117   8.935  -7.526   3.252
  955    H    GLU 118           H        GLU 118   9.918 -10.945   2.250
  956    HA   GLU 118           HA       GLU 118   7.228 -10.437   1.157
  957    HB2  GLU 118           HB2      GLU 118   8.230 -13.190   1.780
  958    HB3  GLU 118           HB3      GLU 118   7.058 -12.680   0.573
  959    HG2  GLU 118           HG2      GLU 118   8.984 -11.620  -0.661
  960    HG3  GLU 118           HG3      GLU 118  10.047 -12.482   0.451
  961    H    GLU 119           H        GLU 119   5.782 -10.026   2.687
  962    HA   GLU 119           HA       GLU 119   5.705 -11.746   4.994
  963    HB2  GLU 119           HB2      GLU 119   5.694  -9.892   6.607
  964    HB3  GLU 119           HB3      GLU 119   7.259 -10.084   5.817
  965    HG2  GLU 119           HG2      GLU 119   6.887  -8.186   4.440
  966    HG3  GLU 119           HG3      GLU 119   5.193  -8.091   4.917
  967    H    TRP 120           H        TRP 120   3.886 -11.379   6.259
  968    HA   TRP 120           HA       TRP 120   1.627 -10.460   4.673
  969    HB2  TRP 120           HB2      TRP 120   1.486 -11.763   7.396
  970    HB3  TRP 120           HB3      TRP 120   0.242 -11.708   6.151
  971    HD1  TRP 120           HD1      TRP 120   1.692 -14.355   7.614
  972    HE1  TRP 120           HE1      TRP 120   2.529 -16.228   6.058
  973    HE3  TRP 120           HE3      TRP 120   1.959 -11.719   3.236
  974    HZ2  TRP 120           HZ2      TRP 120   3.205 -16.538   3.327
  975    HZ3  TRP 120           HZ3      TRP 120   2.707 -12.865   1.200
  976    HH2  TRP 120           HH2      TRP 120   3.322 -15.238   1.247
  977    H    ARG 121           H        ARG 121   1.177  -8.365   4.864
  978    HA   ARG 121           HA       ARG 121   1.937  -7.068   7.392
  979    HB2  ARG 121           HB2      ARG 121   3.209  -6.331   5.440
  980    HB3  ARG 121           HB3      ARG 121   1.724  -5.953   4.585
  981    HG2  ARG 121           HG2      ARG 121   2.842  -3.958   5.466
  982    HG3  ARG 121           HG3      ARG 121   1.229  -4.177   6.146
  983    HD2  ARG 121           HD2      ARG 121   2.717  -3.534   7.914
  984    HD3  ARG 121           HD3      ARG 121   2.270  -5.222   8.142
  985    HE   ARG 121           HE       ARG 121   4.679  -5.132   6.703
  986   HH11  ARG 121          HH12      ARG 121   3.425  -4.530   9.918
  987   HH12  ARG 121          HH11      ARG 121   4.966  -4.717  10.690
  988   HH21  ARG 121          HH22      ARG 121   6.693  -5.415   7.710
  989   HH22  ARG 121          HH21      ARG 121   6.831  -5.220   9.438
  990    H    ASP 122           H        ASP 122   0.409  -5.505   8.297
  991    HA   ASP 122           HA       ASP 122  -2.209  -6.815   7.943
  992    HB2  ASP 122           HB2      ASP 122  -1.069  -7.181  10.128
  993    HB3  ASP 122           HB3      ASP 122  -0.970  -5.441  10.367
  994    H    LEU 123           H        LEU 123  -3.872  -5.603   7.549
  995    HA   LEU 123           HA       LEU 123  -3.375  -2.788   7.152
  996    HB2  LEU 123           HB2      LEU 123  -5.104  -4.828   5.987
  997    HB3  LEU 123           HB3      LEU 123  -5.958  -3.337   6.343
  998    HG   LEU 123           HG       LEU 123  -4.940  -2.193   4.681
  999   HD11  LEU 123          HD11      LEU 123  -2.599  -2.458   4.012
 1000   HD12  LEU 123          HD12      LEU 123  -2.752  -2.195   5.751
 1001   HD13  LEU 123          HD13      LEU 123  -2.437  -3.815   5.127
 1002   HD21  LEU 123          HD21      LEU 123  -4.288  -5.002   3.805
 1003   HD22  LEU 123          HD22      LEU 123  -5.831  -4.173   3.583
 1004   HD23  LEU 123          HD23      LEU 123  -4.387  -3.589   2.756
 1005    H    GLN 124           H        GLN 124  -3.812  -1.498   8.806
 1006    HA   GLN 124           HA       GLN 124  -5.809  -2.320  10.747
 1007    HB2  GLN 124           HB2      GLN 124  -4.660  -1.144  12.328
 1008    HB3  GLN 124           HB3      GLN 124  -3.310  -1.411  11.229
 1009    HG2  GLN 124           HG2      GLN 124  -4.023   0.815  10.171
 1010    HG3  GLN 124           HG3      GLN 124  -4.934   1.056  11.655
 1011   HE21  GLN 124          HE21      GLN 124  -2.667   2.490  10.554
 1012   HE22  GLN 124          HE22      GLN 124  -1.445   2.474  11.781
 1013    H    SER 125           H        SER 125  -7.576  -1.018  11.072
 1014    HA   SER 125           HA       SER 125  -8.243   0.741   8.906
 1015    HB2  SER 125           HB2      SER 125  -9.954  -0.709   9.992
 1016    HB3  SER 125           HB3      SER 125  -9.772   0.224  11.474
 1017    HG   SER 125           HG       SER 125 -10.417   1.503   9.036
 1018    H    ALA 126           H        ALA 126  -7.205   2.634   8.873
 1019    HA   ALA 126           HA       ALA 126  -7.031   4.157  11.359
 1020    HB1  ALA 126           HB1      ALA 126  -5.791   4.708   8.658
 1021    HB2  ALA 126           HB2      ALA 126  -5.533   5.648  10.127
 1022    HB3  ALA 126           HB3      ALA 126  -4.964   3.981  10.037
 1023    H    GLU 127           H        GLU 127  -8.153   5.998  11.610
 1024    HA   GLU 127           HA       GLU 127 -10.173   6.514   9.545
 1025    HB2  GLU 127           HB2      GLU 127 -10.293   7.137  12.502
 1026    HB3  GLU 127           HB3      GLU 127 -11.606   7.322  11.342
 1027    HG2  GLU 127           HG2      GLU 127 -11.586   4.903  10.945
 1028    HG3  GLU 127           HG3      GLU 127 -10.285   4.727  12.118
 1029    H    LYS 128           H        LYS 128  -8.644   7.794   8.413
 1030    HA   LYS 128           HA       LYS 128  -8.248  10.456   9.589
 1031    HB2  LYS 128           HB2      LYS 128  -6.430  10.634   7.758
 1032    HB3  LYS 128           HB3      LYS 128  -6.079   9.698   9.201
 1033    HG2  LYS 128           HG2      LYS 128  -6.588   7.632   7.945
 1034    HG3  LYS 128           HG3      LYS 128  -6.861   8.607   6.497
 1035    HD2  LYS 128           HD2      LYS 128  -4.562   9.406   6.576
 1036    HD3  LYS 128           HD3      LYS 128  -4.281   8.509   8.067
 1037    HE2  LYS 128           HE2      LYS 128  -4.675   6.404   6.864
 1038    HE3  LYS 128           HE3      LYS 128  -4.943   7.308   5.375
 1039    HZ1  LYS 128           HZ1      LYS 128  -2.669   8.105   5.464
 1040    HZ2  LYS 128           HZ2      LYS 128  -2.675   6.408   5.518
 1041    HZ3  LYS 128           HZ3      LYS 128  -2.404   7.298   6.934
  Start of MODEL    7
    1    H1   GLU   1           H1       GLU   1  -9.312   0.266  14.844
    2    H2   GLU   1           H2       GLU   1  -9.779  -1.256  15.423
    3    H3   GLU   1           H3       GLU   1 -10.365  -0.701  13.931
    4    HB2  GLU   1           HB2      GLU   1  -7.176  -0.452  15.413
    5    HB3  GLU   1           HB3      GLU   1  -7.225  -2.203  15.451
    6    HG2  GLU   1           HG2      GLU   1  -5.896  -0.944  13.116
    7    HG3  GLU   1           HG3      GLU   1  -5.085  -0.826  14.684
    8    H    LYS   2           H        LYS   2  -6.934  -2.969  12.656
    9    HA   LYS   2           HA       LYS   2  -7.057  -4.916  11.677
   10    HB2  LYS   2           HB2      LYS   2  -9.147  -5.322  13.774
   11    HB3  LYS   2           HB3      LYS   2  -8.821  -6.565  12.558
   12    HG2  LYS   2           HG2      LYS   2  -6.720  -5.303  14.306
   13    HG3  LYS   2           HG3      LYS   2  -7.497  -6.841  14.634
   14    HD2  LYS   2           HD2      LYS   2  -6.573  -7.846  12.705
   15    HD3  LYS   2           HD3      LYS   2  -6.125  -6.280  12.029
   16    HE2  LYS   2           HE2      LYS   2  -4.914  -7.368  14.559
   17    HE3  LYS   2           HE3      LYS   2  -4.246  -7.701  12.963
   18    HZ1  LYS   2           HZ1      LYS   2  -3.093  -5.848  13.859
   19    HZ2  LYS   2           HZ2      LYS   2  -4.533  -5.048  14.268
   20    HZ3  LYS   2           HZ3      LYS   2  -4.110  -5.248  12.644
   21    H    LEU   3           H        LEU   3  -7.344  -3.930  10.010
   22    HA   LEU   3           HA       LEU   3  -9.790  -3.323   8.771
   23    HB2  LEU   3           HB2      LEU   3  -8.124  -1.739   8.534
   24    HB3  LEU   3           HB3      LEU   3  -6.880  -2.944   8.320
   25    HG   LEU   3           HG       LEU   3  -7.838  -3.380   6.057
   26   HD11  LEU   3          HD11      LEU   3 -10.049  -2.405   6.442
   27   HD12  LEU   3          HD12      LEU   3  -9.306  -0.822   6.673
   28   HD13  LEU   3          HD13      LEU   3  -9.229  -1.610   5.098
   29   HD21  LEU   3          HD21      LEU   3  -6.785  -0.643   6.667
   30   HD22  LEU   3          HD22      LEU   3  -5.824  -2.104   6.421
   31   HD23  LEU   3          HD23      LEU   3  -6.767  -1.431   5.089
   32    H    GLY   4           H        GLY   4  -8.060  -6.110   9.196
   33    HA2  GLY   4           HA3      GLY   4  -8.036  -8.080   7.861
   34    HA3  GLY   4           HA2      GLY   4  -8.429  -7.092   6.454
   35    H    LYS   5           H        LYS   5  -6.582  -7.906   5.264
   36    HA   LYS   5           HA       LYS   5  -4.013  -6.991   6.246
   37    HB2  LYS   5           HB2      LYS   5  -4.388  -9.890   5.491
   38    HB3  LYS   5           HB3      LYS   5  -2.919  -9.126   6.065
   39    HG2  LYS   5           HG2      LYS   5  -3.870  -8.801   8.249
   40    HG3  LYS   5           HG3      LYS   5  -5.428  -9.422   7.703
   41    HD2  LYS   5           HD2      LYS   5  -4.278 -11.153   8.916
   42    HD3  LYS   5           HD3      LYS   5  -4.335 -11.591   7.208
   43    HE2  LYS   5           HE2      LYS   5  -2.040 -10.832   6.920
   44    HE3  LYS   5           HE3      LYS   5  -1.974 -10.341   8.613
   45    HZ1  LYS   5           HZ1      LYS   5  -2.441 -12.709   9.184
   46    HZ2  LYS   5           HZ2      LYS   5  -0.941 -12.450   8.439
   47    HZ3  LYS   5           HZ3      LYS   5  -2.230 -13.102   7.545
   48    H    LEU   6           H        LEU   6  -2.330  -7.158   4.582
   49    HA   LEU   6           HA       LEU   6  -3.392  -7.662   1.904
   50    HB2  LEU   6           HB2      LEU   6  -3.217  -5.494   1.365
   51    HB3  LEU   6           HB3      LEU   6  -2.770  -5.168   3.018
   52    HG   LEU   6           HG       LEU   6  -0.520  -5.973   1.363
   53   HD11  LEU   6          HD11      LEU   6  -1.943  -4.675  -0.240
   54   HD12  LEU   6          HD12      LEU   6  -1.817  -3.294   0.867
   55   HD13  LEU   6          HD13      LEU   6  -0.366  -3.961   0.102
   56   HD21  LEU   6          HD21      LEU   6  -1.096  -3.593   3.156
   57   HD22  LEU   6          HD22      LEU   6  -0.333  -5.103   3.672
   58   HD23  LEU   6          HD23      LEU   6   0.487  -4.047   2.519
   59    H    GLN   7           H        GLN   7  -2.308  -9.412   1.331
   60    HA   GLN   7           HA       GLN   7   0.327  -9.834   2.509
   61    HB2  GLN   7           HB2      GLN   7  -0.203 -12.237   1.634
   62    HB3  GLN   7           HB3      GLN   7  -1.005 -11.633   3.076
   63    HG2  GLN   7           HG2      GLN   7  -2.421 -11.088   0.563
   64    HG3  GLN   7           HG3      GLN   7  -2.257 -12.794   0.965
   65   HE21  GLN   7          HE21      GLN   7  -3.689  -9.744   1.906
   66   HE22  GLN   7          HE22      GLN   7  -4.801 -10.403   3.049
   67    H    TYR   8           H        TYR   8   1.907  -9.050   1.187
   68    HA   TYR   8           HA       TYR   8   2.447 -10.802  -0.866
   69    HB2  TYR   8           HB2      TYR   8   1.009  -9.071  -2.094
   70    HB3  TYR   8           HB3      TYR   8   2.566  -8.257  -2.271
   71    HD1  TYR   8           HD2      TYR   8   2.628 -11.900  -1.931
   72    HD2  TYR   8           HD1      TYR   8   2.407  -8.699  -4.728
   73    HE1  TYR   8           HE2      TYR   8   3.282 -13.434  -3.735
   74    HE2  TYR   8           HE1      TYR   8   3.058 -10.229  -6.536
   75    HH   TYR   8           HH       TYR   8   3.120 -13.628  -6.148
   76    H    SER   9           H        SER   9   4.271  -8.672  -2.248
   77    HA   SER   9           HA       SER   9   6.474  -9.642  -0.559
   78    HB2  SER   9           HB2      SER   9   7.575 -10.327  -2.728
   79    HB3  SER   9           HB3      SER   9   6.182 -11.294  -2.246
   80    HG   SER   9           HG       SER   9   5.865  -9.073  -3.952
   81    H    LEU  10           H        LEU  10   7.389  -7.870   0.065
   82    HA   LEU  10           HA       LEU  10   8.526  -6.038  -1.909
   83    HB2  LEU  10           HB2      LEU  10   8.388  -4.664   0.524
   84    HB3  LEU  10           HB3      LEU  10   7.527  -4.320  -0.959
   85    HG   LEU  10           HG       LEU  10   6.468  -6.211   1.140
   86   HD11  LEU  10          HD11      LEU  10   5.691  -3.359   0.728
   87   HD12  LEU  10          HD12      LEU  10   5.288  -4.422   2.078
   88   HD13  LEU  10          HD13      LEU  10   6.946  -3.838   1.878
   89   HD21  LEU  10          HD21      LEU  10   5.446  -6.444  -1.070
   90   HD22  LEU  10          HD22      LEU  10   4.313  -5.701   0.060
   91   HD23  LEU  10          HD23      LEU  10   5.155  -4.702  -1.133
   92    H    ASP  11           H        ASP  11  10.597  -5.627  -1.786
   93    HA   ASP  11           HA       ASP  11  12.377  -6.678   0.351
   94    HB2  ASP  11           HB2      ASP  11  12.159  -8.738  -0.981
   95    HB3  ASP  11           HB3      ASP  11  12.434  -7.838  -2.465
   96    H    TYR  12           H        TYR  12  14.826  -6.154  -0.998
   97    HA   TYR  12           HA       TYR  12  14.267  -3.535  -2.215
   98    HB2  TYR  12           HB2      TYR  12  15.915  -2.446  -1.030
   99    HB3  TYR  12           HB3      TYR  12  15.199  -3.503   0.173
  100    HD1  TYR  12           HD1      TYR  12  16.397  -5.705   0.666
  101    HD2  TYR  12           HD2      TYR  12  18.231  -2.458  -1.389
  102    HE1  TYR  12           HE1      TYR  12  18.612  -6.638   1.179
  103    HE2  TYR  12           HE2      TYR  12  20.453  -3.384  -0.877
  104    HH   TYR  12           HH       TYR  12  20.922  -6.526   0.210
  105    H    ASP  13           H        ASP  13  14.958  -3.146  -4.197
  106    HA   ASP  13           HA       ASP  13  17.325  -4.701  -5.076
  107    HB2  ASP  13           HB2      ASP  13  15.174  -4.903  -6.459
  108    HB3  ASP  13           HB3      ASP  13  15.418  -3.211  -6.887
  109    H    PHE  14           H        PHE  14  19.121  -3.482  -4.933
  110    HA   PHE  14           HA       PHE  14  18.618  -0.668  -4.466
  111    HB2  PHE  14           HB2      PHE  14  20.895  -0.611  -3.528
  112    HB3  PHE  14           HB3      PHE  14  19.871  -1.803  -2.741
  113    HD1  PHE  14           HD1      PHE  14  20.262  -4.195  -3.089
  114    HD2  PHE  14           HD2      PHE  14  22.825  -1.257  -4.793
  115    HE1  PHE  14           HE1      PHE  14  21.968  -5.921  -3.490
  116    HE2  PHE  14           HE2      PHE  14  24.534  -2.978  -5.200
  117    HZ   PHE  14           HZ       PHE  14  24.104  -5.315  -4.548
  118    H    GLN  15           H        GLN  15  20.065  -2.737  -6.901
  119    HA   GLN  15           HA       GLN  15  21.486  -0.426  -7.924
  120    HB2  GLN  15           HB2      GLN  15  22.384  -1.980  -9.591
  121    HB3  GLN  15           HB3      GLN  15  22.673  -2.517  -7.954
  122    HG2  GLN  15           HG2      GLN  15  22.115  -4.443  -9.169
  123    HG3  GLN  15           HG3      GLN  15  20.671  -4.045  -8.243
  124   HE21  GLN  15          HE21      GLN  15  18.795  -3.517  -9.309
  125   HE22  GLN  15          HE22      GLN  15  18.641  -3.518 -11.038
  126    H    ASN  16           H        ASN  16  18.223  -1.394  -8.338
  127    HA   ASN  16           HA       ASN  16  18.403   0.423 -10.614
  128    HB2  ASN  16           HB2      ASN  16  15.889   0.023 -10.645
  129    HB3  ASN  16           HB3      ASN  16  16.910  -1.308 -11.143
  130   HD21  ASN  16          HD21      ASN  16  15.289  -2.793 -10.695
  131   HD22  ASN  16          HD22      ASN  16  14.850  -3.209  -9.079
  132    H    ASN  17           H        ASN  17  18.251   0.262  -7.395
  133    HA   ASN  17           HA       ASN  17  18.035   1.599  -5.703
  134    HB2  ASN  17           HB2      ASN  17  19.089   3.267  -7.767
  135    HB3  ASN  17           HB3      ASN  17  17.928   4.194  -6.797
  136   HD21  ASN  17          HD21      ASN  17  18.306   2.523  -4.504
  137   HD22  ASN  17          HD22      ASN  17  19.834   2.948  -3.802
  138    H    GLN  18           H        GLN  18  15.810   0.494  -6.196
  139    HA   GLN  18           HA       GLN  18  13.921   2.641  -5.800
  140    HB2  GLN  18           HB2      GLN  18  12.325   1.799  -7.434
  141    HB3  GLN  18           HB3      GLN  18  13.761   2.425  -8.199
  142    HG2  GLN  18           HG2      GLN  18  13.254   0.549  -9.430
  143    HG3  GLN  18           HG3      GLN  18  14.494  -0.029  -8.322
  144   HE21  GLN  18          HE21      GLN  18  11.254   0.562  -7.195
  145   HE22  GLN  18          HE22      GLN  18  10.821  -1.104  -6.981
  146    H    LEU  19           H        LEU  19  12.380   2.109  -4.500
  147    HA   LEU  19           HA       LEU  19  12.545  -0.450  -3.267
  148    HB2  LEU  19           HB2      LEU  19  10.795   1.939  -2.709
  149    HB3  LEU  19           HB3      LEU  19  10.831   0.490  -1.723
  150    HG   LEU  19           HG       LEU  19  13.102   2.422  -2.151
  151   HD11  LEU  19          HD11      LEU  19  11.351   3.217  -0.652
  152   HD12  LEU  19          HD12      LEU  19  11.460   1.723   0.276
  153   HD13  LEU  19          HD13      LEU  19  12.823   2.841   0.243
  154   HD21  LEU  19          HD21      LEU  19  14.341   1.091  -0.533
  155   HD22  LEU  19          HD22      LEU  19  13.036  -0.096  -0.503
  156   HD23  LEU  19          HD23      LEU  19  13.966   0.156  -1.981
  157    H    LEU  20           H        LEU  20  10.883  -2.073  -3.200
  158    HA   LEU  20           HA       LEU  20   8.625  -1.582  -5.017
  159    HB2  LEU  20           HB2      LEU  20  10.507  -3.904  -4.893
  160    HB3  LEU  20           HB3      LEU  20   8.820  -4.181  -5.334
  161    HG   LEU  20           HG       LEU  20  10.728  -2.343  -6.777
  162   HD11  LEU  20          HD11      LEU  20  11.282  -4.676  -7.111
  163   HD12  LEU  20          HD12      LEU  20   9.605  -5.036  -7.533
  164   HD13  LEU  20          HD13      LEU  20  10.576  -3.994  -8.577
  165   HD21  LEU  20          HD21      LEU  20   8.871  -2.312  -8.467
  166   HD22  LEU  20          HD22      LEU  20   7.836  -3.061  -7.245
  167   HD23  LEU  20          HD23      LEU  20   8.529  -1.461  -6.962
  168    H    VAL  21           H        VAL  21   6.804  -1.872  -4.164
  169    HA   VAL  21           HA       VAL  21   6.470  -3.748  -1.938
  170    HB   VAL  21           HB       VAL  21   5.161  -1.038  -2.330
  171   HG11  VAL  21          HG11      VAL  21   4.476  -3.144  -0.283
  172   HG12  VAL  21          HG12      VAL  21   3.821  -1.507  -0.339
  173   HG13  VAL  21          HG13      VAL  21   3.461  -2.647  -1.637
  174   HG21  VAL  21          HG21      VAL  21   7.353  -0.982  -1.255
  175   HG22  VAL  21          HG22      VAL  21   6.075  -0.532  -0.126
  176   HG23  VAL  21          HG23      VAL  21   6.793  -2.141  -0.049
  177    H    GLY  22           H        GLY  22   6.031  -5.273  -3.480
  178    HA2  GLY  22           HA3      GLY  22   3.920  -4.757  -5.424
  179    HA3  GLY  22           HA2      GLY  22   5.016  -6.146  -5.361
  180    H    ILE  23           H        ILE  23   1.949  -4.859  -4.156
  181    HA   ILE  23           HA       ILE  23   1.875  -7.168  -2.357
  182    HB   ILE  23           HB       ILE  23  -0.261  -6.311  -1.631
  183   HG12  ILE  23          HG12      ILE  23  -0.052  -4.413  -3.997
  184   HG13  ILE  23          HG13      ILE  23  -1.141  -5.795  -3.912
  185   HG21  ILE  23          HG21      ILE  23   0.413  -4.018  -1.013
  186   HG22  ILE  23          HG22      ILE  23   1.728  -5.177  -0.809
  187   HG23  ILE  23          HG23      ILE  23   1.713  -4.097  -2.204
  188   HD11  ILE  23          HD11      ILE  23  -2.313  -4.747  -2.050
  189   HD12  ILE  23          HD12      ILE  23  -1.227  -3.360  -2.147
  190   HD13  ILE  23          HD13      ILE  23  -2.312  -3.727  -3.488
  191    H    ILE  24           H        ILE  24  -0.666  -8.129  -2.364
  192    HA   ILE  24           HA       ILE  24  -1.439  -8.692  -5.146
  193    HB   ILE  24           HB       ILE  24  -2.243 -10.388  -2.772
  194   HG12  ILE  24          HG12      ILE  24  -0.099 -10.970  -4.826
  195   HG13  ILE  24          HG13      ILE  24   0.189 -10.589  -3.130
  196   HG21  ILE  24          HG21      ILE  24  -2.414 -10.839  -5.750
  197   HG22  ILE  24          HG22      ILE  24  -2.922 -11.983  -4.507
  198   HG23  ILE  24          HG23      ILE  24  -3.759 -10.440  -4.681
  199   HD11  ILE  24          HD11      ILE  24  -1.293 -12.996  -4.165
  200   HD12  ILE  24          HD12      ILE  24   0.357 -12.976  -3.542
  201   HD13  ILE  24          HD13      ILE  24  -0.995 -12.616  -2.470
  202    H    GLN  25           H        GLN  25  -2.737  -8.724  -1.923
  203    HA   GLN  25           HA       GLN  25  -5.083  -7.245  -2.695
  204    HB2  GLN  25           HB2      GLN  25  -6.415  -9.269  -1.746
  205    HB3  GLN  25           HB3      GLN  25  -5.903  -9.277  -3.423
  206    HG2  GLN  25           HG2      GLN  25  -5.195 -11.340  -2.948
  207    HG3  GLN  25           HG3      GLN  25  -3.802 -10.511  -2.262
  208   HE21  GLN  25          HE21      GLN  25  -5.432  -9.479  -0.058
  209   HE22  GLN  25          HE22      GLN  25  -5.581 -10.812   1.037
  210    H    ALA  26           H        ALA  26  -6.183  -6.514  -1.110
  211    HA   ALA  26           HA       ALA  26  -5.340  -7.079   1.622
  212    HB1  ALA  26           HB1      ALA  26  -7.041  -4.849   0.488
  213    HB2  ALA  26           HB2      ALA  26  -6.626  -5.056   2.190
  214    HB3  ALA  26           HB3      ALA  26  -5.362  -4.708   1.011
  215    H    ALA  27           H        ALA  27  -7.139  -7.589   3.083
  216    HA   ALA  27           HA       ALA  27  -9.274  -8.913   1.586
  217    HB1  ALA  27           HB1      ALA  27  -7.526 -10.502   2.213
  218    HB2  ALA  27           HB2      ALA  27  -7.754 -10.072   3.907
  219    HB3  ALA  27           HB3      ALA  27  -9.055 -10.860   3.015
  220    H    GLU  28           H        GLU  28 -11.215  -8.251   2.170
  221    HA   GLU  28           HA       GLU  28 -13.046  -7.932   3.461
  222    HB2  GLU  28           HB2      GLU  28 -11.285  -9.079   5.629
  223    HB3  GLU  28           HB3      GLU  28 -13.026  -8.844   5.767
  224    HG2  GLU  28           HG2      GLU  28 -13.445 -10.452   4.051
  225    HG3  GLU  28           HG3      GLU  28 -11.730 -10.568   3.671
  226    H    LEU  29           H        LEU  29 -11.702  -5.646   2.951
  227    HA   LEU  29           HA       LEU  29 -11.326  -4.305   5.537
  228    HB2  LEU  29           HB2      LEU  29 -10.969  -2.836   2.978
  229    HB3  LEU  29           HB3      LEU  29 -10.089  -2.696   4.486
  230    HG   LEU  29           HG       LEU  29  -9.657  -4.674   2.256
  231   HD11  LEU  29          HD11      LEU  29  -7.983  -2.614   3.666
  232   HD12  LEU  29          HD12      LEU  29  -7.336  -3.807   2.534
  233   HD13  LEU  29          HD13      LEU  29  -8.515  -2.611   1.980
  234   HD21  LEU  29          HD21      LEU  29  -7.948  -5.750   3.589
  235   HD22  LEU  29          HD22      LEU  29  -8.389  -4.761   4.999
  236   HD23  LEU  29          HD23      LEU  29  -9.535  -5.940   4.345
  237    HA   PRO  30           HA       PRO  30 -15.345  -2.818   6.032
  238    HB2  PRO  30           HB2      PRO  30 -14.069  -0.110   6.142
  239    HB3  PRO  30           HB3      PRO  30 -15.300  -0.814   7.198
  240    HG2  PRO  30           HG2      PRO  30 -12.752  -0.764   7.953
  241    HG3  PRO  30           HG3      PRO  30 -13.775  -2.171   8.296
  242    HD2  PRO  30           HD2      PRO  30 -11.577  -1.868   6.335
  243    HD3  PRO  30           HD3      PRO  30 -12.179  -3.328   7.145
  244    H    ALA  31           H        ALA  31 -17.000  -2.281   4.892
  245    HA   ALA  31           HA       ALA  31 -16.827  -1.450   2.180
  246    HB1  ALA  31           HB1      ALA  31 -18.416  -3.098   3.025
  247    HB2  ALA  31           HB2      ALA  31 -19.216  -1.841   3.968
  248    HB3  ALA  31           HB3      ALA  31 -19.237  -1.768   2.207
  249    H    LEU  32           H        LEU  32 -16.913   0.556   1.318
  250    HA   LEU  32           HA       LEU  32 -18.306   2.712   2.797
  251    HB2  LEU  32           HB2      LEU  32 -16.067   2.692   0.859
  252    HB3  LEU  32           HB3      LEU  32 -17.213   4.023   0.775
  253    HG   LEU  32           HG       LEU  32 -15.054   4.319   2.159
  254   HD11  LEU  32          HD11      LEU  32 -17.798   4.944   3.222
  255   HD12  LEU  32          HD12      LEU  32 -16.310   5.617   3.895
  256   HD13  LEU  32          HD13      LEU  32 -16.758   5.969   2.224
  257   HD21  LEU  32          HD21      LEU  32 -15.195   2.174   3.326
  258   HD22  LEU  32          HD22      LEU  32 -15.210   3.521   4.472
  259   HD23  LEU  32          HD23      LEU  32 -16.710   2.675   4.075
  260    H    ASP  33           H        ASP  33 -19.725   0.717   1.194
  261    HA   ASP  33           HA       ASP  33 -20.896   2.581  -0.727
  262    HB2  ASP  33           HB2      ASP  33 -19.165   1.147  -1.899
  263    HB3  ASP  33           HB3      ASP  33 -20.159  -0.250  -1.512
  264    H    MET  34           H        MET  34 -22.957   2.024  -1.351
  265    HA   MET  34           HA       MET  34 -24.442   0.748   0.767
  266    HB2  MET  34           HB2      MET  34 -25.218   2.854  -0.315
  267    HB3  MET  34           HB3      MET  34 -25.491   1.954  -1.803
  268    HG2  MET  34           HG2      MET  34 -27.116   0.540  -0.626
  269    HG3  MET  34           HG3      MET  34 -26.866   1.494   0.835
  270    HE1  MET  34           HE1      MET  34 -29.478   1.833   0.972
  271    HE2  MET  34           HE2      MET  34 -30.454   2.510  -0.334
  272    HE3  MET  34           HE3      MET  34 -29.701   0.924  -0.522
  273    H    GLY  35           H        GLY  35 -23.204  -1.207   0.152
  274    HA2  GLY  35           HA3      GLY  35 -25.037  -3.128  -0.863
  275    HA3  GLY  35           HA2      GLY  35 -23.678  -2.896  -1.966
  276    H    GLY  36           H        GLY  36 -23.120  -2.234   1.301
  277    HA2  GLY  36           HA3      GLY  36 -21.641  -3.075   2.812
  278    HA3  GLY  36           HA2      GLY  36 -22.401  -4.624   2.461
  279    H    THR  37           H        THR  37 -20.455  -2.554   0.362
  280    HA   THR  37           HA       THR  37 -18.239  -4.421   0.600
  281    HB   THR  37           HB       THR  37 -17.893  -4.308  -1.899
  282    HG1  THR  37           HG1      THR  37 -19.626  -2.574  -1.927
  283   HG21  THR  37          HG21      THR  37 -19.478  -6.108  -2.409
  284   HG22  THR  37          HG22      THR  37 -20.378  -5.734  -0.939
  285   HG23  THR  37          HG23      THR  37 -18.727  -6.346  -0.830
  286    H    SER  38           H        SER  38 -16.319  -3.459  -0.554
  287    HA   SER  38           HA       SER  38 -16.280  -0.546  -0.332
  288    HB2  SER  38           HB2      SER  38 -15.082  -1.459   1.553
  289    HB3  SER  38           HB3      SER  38 -14.284  -2.662   0.545
  290    HG   SER  38           HG       SER  38 -13.908   0.130   0.222
  291    H    ASP  39           H        ASP  39 -14.755   0.470  -1.782
  292    HA   ASP  39           HA       ASP  39 -13.864  -1.259  -3.981
  293    HB2  ASP  39           HB2      ASP  39 -14.664   1.665  -3.986
  294    HB3  ASP  39           HB3      ASP  39 -13.836   0.887  -5.333
  295    HA   PRO  40           HA       PRO  40 -10.557   0.339  -1.260
  296    HB2  PRO  40           HB2      PRO  40  -9.334  -2.274  -1.321
  297    HB3  PRO  40           HB3      PRO  40 -10.128  -1.463   0.030
  298    HG2  PRO  40           HG2      PRO  40 -11.127  -3.690  -1.228
  299    HG3  PRO  40           HG3      PRO  40 -12.139  -2.523  -0.362
  300    HD2  PRO  40           HD2      PRO  40 -11.653  -2.800  -3.282
  301    HD3  PRO  40           HD3      PRO  40 -13.137  -2.402  -2.386
  302    H    TYR  41           H        TYR  41  -8.410   0.817  -1.603
  303    HA   TYR  41           HA       TYR  41  -6.962  -0.017  -3.875
  304    HB2  TYR  41           HB2      TYR  41  -7.556   1.549  -5.400
  305    HB3  TYR  41           HB3      TYR  41  -8.926   1.897  -4.354
  306    HD1  TYR  41           HD2      TYR  41  -5.290   2.900  -4.407
  307    HD2  TYR  41           HD1      TYR  41  -9.359   4.102  -4.130
  308    HE1  TYR  41           HE2      TYR  41  -4.570   5.232  -4.191
  309    HE2  TYR  41           HE1      TYR  41  -8.656   6.447  -3.950
  310    HH   TYR  41           HH       TYR  41  -5.571   7.505  -4.689
  311    H    VAL  42           H        VAL  42  -4.838   0.487  -3.559
  312    HA   VAL  42           HA       VAL  42  -4.265   1.553  -0.916
  313    HB   VAL  42           HB       VAL  42  -2.467   0.116  -2.873
  314   HG11  VAL  42          HG11      VAL  42  -1.261   1.565  -1.319
  315   HG12  VAL  42          HG12      VAL  42  -2.059   0.769   0.037
  316   HG13  VAL  42          HG13      VAL  42  -0.954  -0.141  -0.993
  317   HG21  VAL  42          HG21      VAL  42  -3.938  -0.893  -0.440
  318   HG22  VAL  42          HG22      VAL  42  -4.250  -1.338  -2.118
  319   HG23  VAL  42          HG23      VAL  42  -2.734  -1.807  -1.347
  320    H    LYS  43           H        LYS  43  -3.909   3.646  -0.809
  321    HA   LYS  43           HA       LYS  43  -2.628   5.167  -2.902
  322    HB2  LYS  43           HB2      LYS  43  -3.146   5.987  -0.035
  323    HB3  LYS  43           HB3      LYS  43  -2.793   7.047  -1.387
  324    HG2  LYS  43           HG2      LYS  43  -4.946   6.302  -2.413
  325    HG3  LYS  43           HG3      LYS  43  -5.301   5.476  -0.892
  326    HD2  LYS  43           HD2      LYS  43  -6.371   7.627  -0.852
  327    HD3  LYS  43           HD3      LYS  43  -5.016   7.664   0.277
  328    HE2  LYS  43           HE2      LYS  43  -3.645   8.801  -1.393
  329    HE3  LYS  43           HE3      LYS  43  -4.983   8.742  -2.540
  330    HZ1  LYS  43           HZ1      LYS  43  -6.235  10.231  -1.230
  331    HZ2  LYS  43           HZ2      LYS  43  -4.679  10.897  -1.324
  332    HZ3  LYS  43           HZ3      LYS  43  -5.173  10.101   0.090
  333    H    VAL  44           H        VAL  44  -0.481   5.550  -3.041
  334    HA   VAL  44           HA       VAL  44   1.150   4.507  -0.820
  335    HB   VAL  44           HB       VAL  44   1.727   4.507  -3.785
  336   HG11  VAL  44          HG11      VAL  44   3.760   5.080  -2.589
  337   HG12  VAL  44          HG12      VAL  44   3.531   3.705  -1.506
  338   HG13  VAL  44          HG13      VAL  44   3.859   3.434  -3.218
  339   HG21  VAL  44          HG21      VAL  44   1.855   2.073  -3.486
  340   HG22  VAL  44          HG22      VAL  44   1.408   2.269  -1.791
  341   HG23  VAL  44          HG23      VAL  44   0.266   2.712  -3.061
  342    H    PHE  45           H        PHE  45   2.115   6.127   0.304
  343    HA   PHE  45           HA       PHE  45   3.579   8.052  -1.357
  344    HB2  PHE  45           HB2      PHE  45   2.719   9.281   1.121
  345    HB3  PHE  45           HB3      PHE  45   2.615   9.892  -0.519
  346    HD1  PHE  45           HD1      PHE  45   0.871   8.080   2.134
  347    HD2  PHE  45           HD2      PHE  45   0.587   9.712  -1.783
  348    HE1  PHE  45           HE1      PHE  45  -1.576   7.901   2.243
  349    HE2  PHE  45           HE2      PHE  45  -1.861   9.532  -1.682
  350    HZ   PHE  45           HZ       PHE  45  -2.943   8.630   0.336
  351    H    LEU  46           H        LEU  46   5.191   9.167  -0.160
  352    HA   LEU  46           HA       LEU  46   6.071   7.915   2.341
  353    HB2  LEU  46           HB2      LEU  46   7.734   9.366   0.281
  354    HB3  LEU  46           HB3      LEU  46   8.311   8.811   1.845
  355    HG   LEU  46           HG       LEU  46   7.561   7.187  -0.550
  356   HD11  LEU  46          HD11      LEU  46   9.985   7.244   1.236
  357   HD12  LEU  46          HD12      LEU  46   9.785   6.297  -0.241
  358   HD13  LEU  46          HD13      LEU  46   9.841   8.058  -0.322
  359   HD21  LEU  46          HD21      LEU  46   7.797   5.183   0.809
  360   HD22  LEU  46          HD22      LEU  46   7.967   6.172   2.261
  361   HD23  LEU  46          HD23      LEU  46   6.445   6.168   1.369
  362    H    LEU  47           H        LEU  47   6.848   9.383   3.988
  363    HA   LEU  47           HA       LEU  47   5.700  12.049   3.617
  364    HB2  LEU  47           HB2      LEU  47   5.652  12.299   5.994
  365    HB3  LEU  47           HB3      LEU  47   4.941  10.769   5.547
  366    HG   LEU  47           HG       LEU  47   7.662  10.306   6.158
  367   HD11  LEU  47          HD11      LEU  47   7.523  12.377   7.487
  368   HD12  LEU  47          HD12      LEU  47   6.086  11.752   8.295
  369   HD13  LEU  47          HD13      LEU  47   7.640  10.950   8.517
  370   HD21  LEU  47          HD21      LEU  47   5.822   8.721   6.164
  371   HD22  LEU  47          HD22      LEU  47   6.595   8.794   7.752
  372   HD23  LEU  47          HD23      LEU  47   5.050   9.606   7.486
  373    HA   PRO  48           HA       PRO  48   8.069  15.320   3.465
  374    HB2  PRO  48           HB2      PRO  48  10.226  14.112   5.165
  375    HB3  PRO  48           HB3      PRO  48   9.916  15.825   4.822
  376    HG2  PRO  48           HG2      PRO  48   8.769  14.397   6.936
  377    HG3  PRO  48           HG3      PRO  48   8.141  15.914   6.268
  378    HD2  PRO  48           HD2      PRO  48   6.801  13.442   6.211
  379    HD3  PRO  48           HD3      PRO  48   6.425  14.832   5.163
  380    H    ASP  49           H        ASP  49   9.099  12.150   2.571
  381    HA   ASP  49           HA       ASP  49  10.776  13.251   0.467
  382    HB2  ASP  49           HB2      ASP  49  11.387  11.071   1.204
  383    HB3  ASP  49           HB3      ASP  49   9.728  10.499   1.139
  384    H    LYS  50           H        LYS  50   8.057  11.016   0.215
  385    HA   LYS  50           HA       LYS  50   6.248  10.868  -1.016
  386    HB2  LYS  50           HB2      LYS  50   5.998  13.233   0.277
  387    HB3  LYS  50           HB3      LYS  50   5.927  13.789  -1.396
  388    HG2  LYS  50           HG2      LYS  50   4.092  11.893   0.042
  389    HG3  LYS  50           HG3      LYS  50   3.693  13.364  -0.874
  390    HD2  LYS  50           HD2      LYS  50   4.451  12.235  -2.929
  391    HD3  LYS  50           HD3      LYS  50   4.775  10.782  -1.965
  392    HE2  LYS  50           HE2      LYS  50   2.646  10.552  -3.104
  393    HE3  LYS  50           HE3      LYS  50   2.358  10.723  -1.374
  394    HZ1  LYS  50           HZ1      LYS  50   1.701  12.983  -1.685
  395    HZ2  LYS  50           HZ2      LYS  50   0.838  12.038  -2.797
  396    HZ3  LYS  50           HZ3      LYS  50   2.160  12.961  -3.317
  397    H    LYS  51           H        LYS  51   8.556  10.497  -2.321
  398    HA   LYS  51           HA       LYS  51   8.279  11.966  -4.841
  399    HB2  LYS  51           HB2      LYS  51  10.212  10.119  -3.584
  400    HB3  LYS  51           HB3      LYS  51  10.175  10.153  -5.354
  401    HG2  LYS  51           HG2      LYS  51  10.728  12.441  -3.473
  402    HG3  LYS  51           HG3      LYS  51  11.854  11.675  -4.593
  403    HD2  LYS  51           HD2      LYS  51   9.393  13.249  -5.355
  404    HD3  LYS  51           HD3      LYS  51  11.059  13.818  -5.461
  405    HE2  LYS  51           HE2      LYS  51  11.573  12.095  -7.090
  406    HE3  LYS  51           HE3      LYS  51   9.941  11.442  -6.944
  407    HZ1  LYS  51           HZ1      LYS  51  10.083  12.800  -8.894
  408    HZ2  LYS  51           HZ2      LYS  51  10.694  14.111  -8.008
  409    HZ3  LYS  51           HZ3      LYS  51   9.099  13.593  -7.761
  410    H    LYS  52           H        LYS  52   6.117  10.284  -3.927
  411    HA   LYS  52           HA       LYS  52   5.953   8.362  -6.109
  412    HB2  LYS  52           HB2      LYS  52   5.532   7.638  -3.212
  413    HB3  LYS  52           HB3      LYS  52   5.138   6.597  -4.576
  414    HG2  LYS  52           HG2      LYS  52   7.238   5.945  -4.818
  415    HG3  LYS  52           HG3      LYS  52   7.853   7.595  -4.687
  416    HD2  LYS  52           HD2      LYS  52   7.323   7.316  -2.169
  417    HD3  LYS  52           HD3      LYS  52   7.330   5.588  -2.541
  418    HE2  LYS  52           HE2      LYS  52   9.521   6.185  -1.838
  419    HE3  LYS  52           HE3      LYS  52   9.572   5.901  -3.577
  420    HZ1  LYS  52           HZ1      LYS  52  10.801   7.859  -3.156
  421    HZ2  LYS  52           HZ2      LYS  52   9.592   8.521  -2.168
  422    HZ3  LYS  52           HZ3      LYS  52   9.339   8.365  -3.836
  423    H    LYS  53           H        LYS  53   4.215   9.778  -7.000
  424    HA   LYS  53           HA       LYS  53   1.741   9.438  -5.515
  425    HB2  LYS  53           HB2      LYS  53   1.732  11.391  -6.879
  426    HB3  LYS  53           HB3      LYS  53   2.351  10.508  -8.273
  427    HG2  LYS  53           HG2      LYS  53   0.271   9.217  -8.336
  428    HG3  LYS  53           HG3      LYS  53  -0.372  10.197  -7.021
  429    HD2  LYS  53           HD2      LYS  53   0.488  11.215  -9.738
  430    HD3  LYS  53           HD3      LYS  53  -1.178  10.939  -9.231
  431    HE2  LYS  53           HE2      LYS  53  -0.919  12.626  -7.476
  432    HE3  LYS  53           HE3      LYS  53   0.747  12.900  -7.986
  433    HZ1  LYS  53           HZ1      LYS  53  -0.084  13.610 -10.153
  434    HZ2  LYS  53           HZ2      LYS  53  -0.718  14.569  -8.910
  435    HZ3  LYS  53           HZ3      LYS  53  -1.682  13.377  -9.634
  436    H    PHE  54           H        PHE  54   1.464   7.210  -5.262
  437    HA   PHE  54           HA       PHE  54   1.212   5.770  -7.803
  438    HB2  PHE  54           HB2      PHE  54   2.615   4.988  -5.555
  439    HB3  PHE  54           HB3      PHE  54   1.119   4.057  -5.458
  440    HD1  PHE  54           HD2      PHE  54   0.444   2.640  -7.421
  441    HD2  PHE  54           HD1      PHE  54   4.287   4.439  -7.110
  442    HE1  PHE  54           HE2      PHE  54   1.302   1.091  -9.128
  443    HE2  PHE  54           HE1      PHE  54   5.152   2.897  -8.822
  444    HZ   PHE  54           HZ       PHE  54   3.660   1.219  -9.833
  445    H    GLU  55           H        GLU  55  -0.576   4.325  -8.096
  446    HA   GLU  55           HA       GLU  55  -2.799   4.534  -6.256
  447    HB2  GLU  55           HB2      GLU  55  -3.057   6.544  -7.640
  448    HB3  GLU  55           HB3      GLU  55  -3.025   5.555  -9.094
  449    HG2  GLU  55           HG2      GLU  55  -5.065   4.403  -8.286
  450    HG3  GLU  55           HG3      GLU  55  -5.119   5.538  -6.937
  451    H    THR  56           H        THR  56  -3.525   2.519  -6.080
  452    HA   THR  56           HA       THR  56  -3.332   0.482  -8.039
  453    HB   THR  56           HB       THR  56  -5.397  -0.323  -6.486
  454    HG1  THR  56           HG1      THR  56  -5.530   1.691  -5.461
  455   HG21  THR  56          HG21      THR  56  -3.763  -1.292  -4.946
  456   HG22  THR  56          HG22      THR  56  -2.520  -0.203  -5.565
  457   HG23  THR  56          HG23      THR  56  -3.211  -1.440  -6.615
  458    H    LYS  57           H        LYS  57  -4.978  -0.386  -9.355
  459    HA   LYS  57           HA       LYS  57  -6.976   1.355 -10.381
  460    HB2  LYS  57           HB2      LYS  57  -5.989  -0.611 -11.585
  461    HB3  LYS  57           HB3      LYS  57  -6.877  -1.667 -10.499
  462    HG2  LYS  57           HG2      LYS  57  -8.985  -0.762 -11.344
  463    HG3  LYS  57           HG3      LYS  57  -8.089   0.298 -12.434
  464    HD2  LYS  57           HD2      LYS  57  -7.065  -1.714 -13.462
  465    HD3  LYS  57           HD3      LYS  57  -8.094  -2.717 -12.440
  466    HE2  LYS  57           HE2      LYS  57 -10.078  -1.744 -13.462
  467    HE3  LYS  57           HE3      LYS  57  -9.063  -0.704 -14.461
  468    HZ1  LYS  57           HZ1      LYS  57  -9.254  -3.664 -14.566
  469    HZ2  LYS  57           HZ2      LYS  57  -8.075  -2.770 -15.394
  470    HZ3  LYS  57           HZ3      LYS  57  -9.710  -2.557 -15.768
  471    H    VAL  58           H        VAL  58  -9.268   1.266 -10.013
  472    HA   VAL  58           HA       VAL  58  -9.838   0.829  -7.235
  473    HB   VAL  58           HB       VAL  58 -12.137   1.689  -7.829
  474   HG11  VAL  58          HG11      VAL  58 -11.362   3.997  -8.175
  475   HG12  VAL  58          HG12      VAL  58 -10.413   3.155  -6.949
  476   HG13  VAL  58          HG13      VAL  58  -9.755   3.385  -8.569
  477   HG21  VAL  58          HG21      VAL  58 -12.157   1.029 -10.186
  478   HG22  VAL  58          HG22      VAL  58 -12.421   2.764 -10.004
  479   HG23  VAL  58          HG23      VAL  58 -10.845   2.161 -10.516
  480    H    HIS  59           H        HIS  59 -10.916  -0.770  -6.305
  481    HA   HIS  59           HA       HIS  59 -11.560  -3.061  -8.031
  482    HB2  HIS  59           HB2      HIS  59 -10.958  -2.999  -5.066
  483    HB3  HIS  59           HB3      HIS  59 -11.144  -4.438  -6.068
  484    HD1  HIS  59           HD1      HIS  59  -8.644  -2.172  -4.785
  485    HD2  HIS  59           HD2      HIS  59  -9.019  -4.594  -8.139
  486    HE1  HIS  59           HE1      HIS  59  -6.310  -2.446  -5.683
  487    HE2  HIS  59           HE2      HIS  59  -6.606  -3.705  -7.839
  488    H    ARG  60           H        ARG  60 -13.687  -2.733  -8.511
  489    HA   ARG  60           HA       ARG  60 -15.413  -1.437  -6.695
  490    HB2  ARG  60           HB2      ARG  60 -17.183  -2.027  -8.427
  491    HB3  ARG  60           HB3      ARG  60 -15.842  -1.025  -8.959
  492    HG2  ARG  60           HG2      ARG  60 -16.039  -2.509 -10.697
  493    HG3  ARG  60           HG3      ARG  60 -14.798  -3.279  -9.707
  494    HD2  ARG  60           HD2      ARG  60 -16.661  -4.605  -8.635
  495    HD3  ARG  60           HD3      ARG  60 -17.714  -3.986  -9.908
  496    HE   ARG  60           HE       ARG  60 -16.200  -5.098 -11.512
  497   HH11  ARG  60          HH12      ARG  60 -16.238  -6.124  -8.169
  498   HH12  ARG  60          HH11      ARG  60 -15.689  -7.742  -8.513
  499   HH21  ARG  60          HH22      ARG  60 -15.428  -7.214 -11.981
  500   HH22  ARG  60          HH21      ARG  60 -15.222  -8.359 -10.684
  501    H    LYS  61           H        LYS  61 -16.338  -2.260  -5.002
  502    HA   LYS  61           HA       LYS  61 -18.077  -3.277  -3.970
  503    HB2  LYS  61           HB2      LYS  61 -18.391  -4.941  -6.472
  504    HB3  LYS  61           HB3      LYS  61 -19.567  -4.753  -5.181
  505    HG2  LYS  61           HG2      LYS  61 -18.638  -2.415  -6.823
  506    HG3  LYS  61           HG3      LYS  61 -19.953  -3.463  -7.352
  507    HD2  LYS  61           HD2      LYS  61 -21.006  -1.672  -6.258
  508    HD3  LYS  61           HD3      LYS  61 -21.021  -2.990  -5.087
  509    HE2  LYS  61           HE2      LYS  61 -20.385  -1.085  -3.876
  510    HE3  LYS  61           HE3      LYS  61 -18.894  -1.984  -4.148
  511    HZ1  LYS  61           HZ1      LYS  61 -18.966  -0.358  -6.280
  512    HZ2  LYS  61           HZ2      LYS  61 -18.126  -0.029  -4.848
  513    HZ3  LYS  61           HZ3      LYS  61 -19.678   0.623  -5.092
  514    H    THR  62           H        THR  62 -15.633  -4.126  -3.140
  515    HA   THR  62           HA       THR  62 -16.162  -6.859  -2.479
  516    HB   THR  62           HB       THR  62 -14.068  -7.746  -3.176
  517    HG1  THR  62           HG1      THR  62 -13.352  -5.167  -3.324
  518   HG21  THR  62          HG21      THR  62 -15.704  -7.827  -4.974
  519   HG22  THR  62          HG22      THR  62 -14.074  -7.631  -5.620
  520   HG23  THR  62          HG23      THR  62 -15.160  -6.245  -5.536
  521    H    LEU  63           H        LEU  63 -15.627  -6.931  -0.358
  522    HA   LEU  63           HA       LEU  63 -13.996  -4.832   0.764
  523    HB2  LEU  63           HB2      LEU  63 -14.967  -7.390   1.996
  524    HB3  LEU  63           HB3      LEU  63 -14.097  -6.154   2.821
  525    HG   LEU  63           HG       LEU  63 -16.304  -5.868   3.488
  526   HD11  LEU  63          HD11      LEU  63 -15.806  -4.026   1.181
  527   HD12  LEU  63          HD12      LEU  63 -17.087  -3.808   2.374
  528   HD13  LEU  63          HD13      LEU  63 -15.396  -3.765   2.876
  529   HD21  LEU  63          HD21      LEU  63 -18.222  -5.966   2.049
  530   HD22  LEU  63          HD22      LEU  63 -17.194  -6.145   0.628
  531   HD23  LEU  63          HD23      LEU  63 -17.259  -7.428   1.837
  532    H    ASN  64           H        ASN  64 -13.366  -7.517  -1.006
  533    HA   ASN  64           HA       ASN  64 -10.772  -8.009   0.236
  534    HB2  ASN  64           HB2      ASN  64 -12.713  -9.633   0.976
  535    HB3  ASN  64           HB3      ASN  64 -12.440 -10.350  -0.606
  536   HD21  ASN  64          HD21      ASN  64  -9.589  -9.950  -0.677
  537   HD22  ASN  64          HD22      ASN  64  -8.921 -11.036   0.478
  538    HA   PRO  65           HA       PRO  65 -10.607  -7.939  -4.335
  539    HB2  PRO  65           HB2      PRO  65  -9.058  -5.588  -4.312
  540    HB3  PRO  65           HB3      PRO  65 -10.788  -5.701  -4.647
  541    HG2  PRO  65           HG2      PRO  65  -9.621  -4.456  -2.427
  542    HG3  PRO  65           HG3      PRO  65 -11.314  -4.879  -2.616
  543    HD2  PRO  65           HD2      PRO  65  -9.135  -6.301  -1.177
  544    HD3  PRO  65           HD3      PRO  65 -10.853  -6.124  -0.747
  545    H    VAL  66           H        VAL  66  -8.949  -8.601  -5.555
  546    HA   VAL  66           HA       VAL  66  -6.249  -8.409  -4.454
  547    HB   VAL  66           HB       VAL  66  -6.129 -10.591  -4.123
  548   HG11  VAL  66          HG11      VAL  66  -8.577 -10.770  -4.107
  549   HG12  VAL  66          HG12      VAL  66  -8.583 -11.001  -5.855
  550   HG13  VAL  66          HG13      VAL  66  -7.841 -12.212  -4.807
  551   HG21  VAL  66          HG21      VAL  66  -6.364 -10.825  -7.127
  552   HG22  VAL  66          HG22      VAL  66  -4.886 -10.536  -6.206
  553   HG23  VAL  66          HG23      VAL  66  -5.740 -12.072  -6.044
  554    H    PHE  67           H        PHE  67  -5.229  -7.098  -5.667
  555    HA   PHE  67           HA       PHE  67  -5.745  -7.197  -8.532
  556    HB2  PHE  67           HB2      PHE  67  -5.661  -4.957  -7.277
  557    HB3  PHE  67           HB3      PHE  67  -3.907  -5.173  -7.313
  558    HD1  PHE  67           HD1      PHE  67  -2.723  -5.300  -9.491
  559    HD2  PHE  67           HD2      PHE  67  -6.871  -4.399  -9.244
  560    HE1  PHE  67           HE1      PHE  67  -2.679  -4.486 -11.810
  561    HE2  PHE  67           HE2      PHE  67  -6.833  -3.579 -11.560
  562    HZ   PHE  67           HZ       PHE  67  -4.737  -3.624 -12.848
  563    H    ASN  68           H        ASN  68  -3.240  -7.776  -6.186
  564    HA   ASN  68           HA       ASN  68  -1.041  -8.001  -6.259
  565    HB2  ASN  68           HB2      ASN  68  -0.021  -9.623  -7.789
  566    HB3  ASN  68           HB3      ASN  68  -1.478 -10.253  -7.051
  567   HD21  ASN  68          HD21      ASN  68  -3.190 -10.826  -8.339
  568   HD22  ASN  68          HD22      ASN  68  -3.104 -10.864 -10.062
  569    H    GLU  69           H        GLU  69  -0.815  -5.860  -6.451
  570    HA   GLU  69           HA       GLU  69  -0.138  -4.827  -9.117
  571    HB2  GLU  69           HB2      GLU  69  -2.388  -4.042  -8.208
  572    HB3  GLU  69           HB3      GLU  69  -1.493  -3.183  -6.960
  573    HG2  GLU  69           HG2      GLU  69  -0.644  -1.645  -8.428
  574    HG3  GLU  69           HG3      GLU  69  -0.783  -2.721  -9.814
  575    H    GLN  70           H        GLN  70   1.793  -4.131  -9.251
  576    HA   GLN  70           HA       GLN  70   3.544  -4.097  -6.995
  577    HB2  GLN  70           HB2      GLN  70   3.703  -4.077  -9.920
  578    HB3  GLN  70           HB3      GLN  70   5.006  -3.221  -9.121
  579    HG2  GLN  70           HG2      GLN  70   4.237  -6.083  -8.623
  580    HG3  GLN  70           HG3      GLN  70   5.565  -5.542  -9.651
  581   HE21  GLN  70          HE21      GLN  70   5.988  -3.262  -7.700
  582   HE22  GLN  70          HE22      GLN  70   6.877  -4.004  -6.408
  583    H    PHE  71           H        PHE  71   3.862  -2.319  -5.776
  584    HA   PHE  71           HA       PHE  71   3.732   0.304  -7.056
  585    HB2  PHE  71           HB2      PHE  71   4.177  -0.256  -4.124
  586    HB3  PHE  71           HB3      PHE  71   3.650   1.249  -4.868
  587    HD1  PHE  71           HD1      PHE  71   1.432   0.754  -6.443
  588    HD2  PHE  71           HD2      PHE  71   2.569  -1.276  -2.884
  589    HE1  PHE  71           HE1      PHE  71  -0.912   0.124  -6.058
  590    HE2  PHE  71           HE2      PHE  71   0.226  -1.912  -2.491
  591    HZ   PHE  71           HZ       PHE  71  -1.517  -1.212  -4.081
  592    H    THR  72           H        THR  72   5.662   0.456  -8.142
  593    HA   THR  72           HA       THR  72   8.200   0.227  -6.878
  594    HB   THR  72           HB       THR  72   7.331   1.833  -9.300
  595    HG1  THR  72           HG1      THR  72   7.367  -0.671  -9.113
  596   HG21  THR  72          HG21      THR  72   9.720   1.914  -9.878
  597   HG22  THR  72          HG22      THR  72  10.115   1.144  -8.341
  598   HG23  THR  72          HG23      THR  72   9.392   2.754  -8.362
  599    H    PHE  73           H        PHE  73   9.301   1.667  -5.754
  600    HA   PHE  73           HA       PHE  73   7.987   4.184  -5.058
  601    HB2  PHE  73           HB2      PHE  73   9.787   2.336  -3.485
  602    HB3  PHE  73           HB3      PHE  73   9.515   4.002  -2.996
  603    HD1  PHE  73           HD1      PHE  73   7.266   1.331  -4.276
  604    HD2  PHE  73           HD2      PHE  73   8.173   4.040  -1.128
  605    HE1  PHE  73           HE1      PHE  73   5.235   0.628  -3.089
  606    HE2  PHE  73           HE2      PHE  73   6.142   3.341   0.065
  607    HZ   PHE  73           HZ       PHE  73   4.696   1.655  -0.855
  608    H    LYS  74           H        LYS  74   8.946   5.833  -5.922
  609    HA   LYS  74           HA       LYS  74  11.588   5.743  -6.969
  610    HB2  LYS  74           HB2      LYS  74  10.193   7.002  -8.290
  611    HB3  LYS  74           HB3      LYS  74   9.288   7.622  -6.929
  612    HG2  LYS  74           HG2      LYS  74  10.554   9.302  -8.275
  613    HG3  LYS  74           HG3      LYS  74  10.839   9.339  -6.534
  614    HD2  LYS  74           HD2      LYS  74  12.892   9.607  -7.961
  615    HD3  LYS  74           HD3      LYS  74  12.976   8.271  -6.814
  616    HE2  LYS  74           HE2      LYS  74  12.596   6.666  -8.516
  617    HE3  LYS  74           HE3      LYS  74  12.146   7.918  -9.685
  618    HZ1  LYS  74           HZ1      LYS  74  14.356   7.193 -10.146
  619    HZ2  LYS  74           HZ2      LYS  74  14.845   7.430  -8.542
  620    HZ3  LYS  74           HZ3      LYS  74  14.453   8.763  -9.514
  621    H    VAL  75           H        VAL  75  12.257   5.070  -4.696
  622    HA   VAL  75           HA       VAL  75  13.816   7.345  -3.806
  623    HB   VAL  75           HB       VAL  75  12.169   7.392  -2.043
  624   HG11  VAL  75          HG11      VAL  75  12.584   4.425  -1.775
  625   HG12  VAL  75          HG12      VAL  75  11.575   5.427  -0.732
  626   HG13  VAL  75          HG13      VAL  75  11.155   5.221  -2.432
  627   HG21  VAL  75          HG21      VAL  75  13.474   6.801  -0.075
  628   HG22  VAL  75          HG22      VAL  75  14.579   5.871  -1.088
  629   HG23  VAL  75          HG23      VAL  75  14.457   7.619  -1.292
  630    HA   PRO  76           HA       PRO  76  16.873   3.896  -4.171
  631    HB2  PRO  76           HB2      PRO  76  18.277   6.339  -3.086
  632    HB3  PRO  76           HB3      PRO  76  18.920   5.064  -4.147
  633    HG2  PRO  76           HG2      PRO  76  18.139   7.159  -5.379
  634    HG3  PRO  76           HG3      PRO  76  17.361   5.609  -5.870
  635    HD2  PRO  76           HD2      PRO  76  16.298   7.695  -3.925
  636    HD3  PRO  76           HD3      PRO  76  15.499   7.038  -5.378
  637    H    TYR  77           H        TYR  77  18.221   2.862  -2.638
  638    HA   TYR  77           HA       TYR  77  16.827   2.546  -0.174
  639    HB2  TYR  77           HB2      TYR  77  18.126   0.612   0.160
  640    HB3  TYR  77           HB3      TYR  77  17.831   0.707  -1.583
  641    HD1  TYR  77           HD1      TYR  77  19.735   1.851  -2.969
  642    HD2  TYR  77           HD2      TYR  77  20.293   0.266   0.937
  643    HE1  TYR  77           HE1      TYR  77  22.152   1.687  -3.387
  644    HE2  TYR  77           HE2      TYR  77  22.710   0.100   0.532
  645    HH   TYR  77           HH       TYR  77  24.261  -0.043  -1.281
  646    H    SER  78           H        SER  78  19.920   3.936  -1.126
  647    HA   SER  78           HA       SER  78  20.890   4.645   1.389
  648    HB2  SER  78           HB2      SER  78  21.714   6.717  -0.076
  649    HB3  SER  78           HB3      SER  78  22.388   5.099  -0.297
  650    HG   SER  78           HG       SER  78  21.073   6.604  -2.068
  651    H    GLU  79           H        GLU  79  18.367   6.078  -0.576
  652    HA   GLU  79           HA       GLU  79  17.924   8.294   1.238
  653    HB2  GLU  79           HB2      GLU  79  16.718   7.468  -1.379
  654    HB3  GLU  79           HB3      GLU  79  15.878   8.618  -0.349
  655    HG2  GLU  79           HG2      GLU  79  17.998   9.987  -0.364
  656    HG3  GLU  79           HG3      GLU  79  18.568   8.913  -1.644
  657    H    LEU  80           H        LEU  80  16.950   5.120   0.845
  658    HA   LEU  80           HA       LEU  80  14.329   5.021   1.756
  659    HB2  LEU  80           HB2      LEU  80  15.245   3.100   0.739
  660    HB3  LEU  80           HB3      LEU  80  16.701   3.165   1.694
  661    HG   LEU  80           HG       LEU  80  15.354   1.182   2.187
  662   HD11  LEU  80          HD11      LEU  80  15.298   1.308   4.575
  663   HD12  LEU  80          HD12      LEU  80  16.776   2.000   3.900
  664   HD13  LEU  80          HD13      LEU  80  15.494   3.060   4.488
  665   HD21  LEU  80          HD21      LEU  80  13.216   1.386   3.300
  666   HD22  LEU  80          HD22      LEU  80  13.257   3.125   3.014
  667   HD23  LEU  80          HD23      LEU  80  13.200   2.009   1.652
  668    H    GLY  81           H        GLY  81  17.414   5.100   3.430
  669    HA2  GLY  81           HA3      GLY  81  16.701   4.837   6.061
  670    HA3  GLY  81           HA2      GLY  81  17.972   5.899   5.478
  671    H    GLY  82           H        GLY  82  16.517   7.839   4.148
  672    HA2  GLY  82           HA3      GLY  82  15.858   9.459   6.376
  673    HA3  GLY  82           HA2      GLY  82  15.701   9.912   4.691
  674    H    LYS  83           H        LYS  83  13.754   7.827   4.010
  675    HA   LYS  83           HA       LYS  83  11.585   9.615   4.778
  676    HB2  LYS  83           HB2      LYS  83  11.165   7.521   2.719
  677    HB3  LYS  83           HB3      LYS  83  10.601   9.182   2.765
  678    HG2  LYS  83           HG2      LYS  83  13.313   8.174   1.941
  679    HG3  LYS  83           HG3      LYS  83  12.101   9.001   0.964
  680    HD2  LYS  83           HD2      LYS  83  12.478  11.067   2.113
  681    HD3  LYS  83           HD3      LYS  83  13.504  10.276   3.311
  682    HE2  LYS  83           HE2      LYS  83  15.064  11.247   1.912
  683    HE3  LYS  83           HE3      LYS  83  14.951   9.618   1.254
  684    HZ1  LYS  83           HZ1      LYS  83  13.825  12.126   0.167
  685    HZ2  LYS  83           HZ2      LYS  83  13.232  10.620  -0.323
  686    HZ3  LYS  83           HZ3      LYS  83  14.862  11.015  -0.594
  687    H    THR  84           H        THR  84   9.457   8.785   5.414
  688    HA   THR  84           HA       THR  84   9.668   6.007   6.344
  689    HB   THR  84           HB       THR  84   9.495   6.716   8.439
  690    HG1  THR  84           HG1      THR  84   6.872   7.207   7.492
  691   HG21  THR  84          HG21      THR  84   8.892   8.977   9.140
  692   HG22  THR  84          HG22      THR  84   8.417   9.366   7.486
  693   HG23  THR  84          HG23      THR  84  10.103   9.000   7.857
  694    H    LEU  85           H        LEU  85   7.982   4.700   5.962
  695    HA   LEU  85           HA       LEU  85   6.430   5.545   3.692
  696    HB2  LEU  85           HB2      LEU  85   7.706   3.235   4.530
  697    HB3  LEU  85           HB3      LEU  85   5.996   2.856   4.639
  698    HG   LEU  85           HG       LEU  85   7.266   4.015   2.191
  699   HD11  LEU  85          HD11      LEU  85   8.280   1.860   2.843
  700   HD12  LEU  85          HD12      LEU  85   6.670   1.135   2.832
  701   HD13  LEU  85          HD13      LEU  85   7.360   1.757   1.334
  702   HD21  LEU  85          HD21      LEU  85   4.831   4.289   2.405
  703   HD22  LEU  85          HD22      LEU  85   5.243   3.171   1.103
  704   HD23  LEU  85          HD23      LEU  85   4.661   2.550   2.647
  705    H    VAL  86           H        VAL  86   4.393   6.059   3.683
  706    HA   VAL  86           HA       VAL  86   2.676   4.610   5.570
  707    HB   VAL  86           HB       VAL  86   0.994   6.358   5.508
  708   HG11  VAL  86          HG11      VAL  86   3.692   7.383   6.395
  709   HG12  VAL  86          HG12      VAL  86   2.132   8.018   6.918
  710   HG13  VAL  86          HG13      VAL  86   2.598   6.368   7.334
  711   HG21  VAL  86          HG21      VAL  86   1.544   7.368   3.343
  712   HG22  VAL  86          HG22      VAL  86   1.486   8.588   4.615
  713   HG23  VAL  86          HG23      VAL  86   3.041   8.011   4.017
  714    H    MET  87           H        MET  87   1.217   3.385   4.637
  715    HA   MET  87           HA       MET  87   0.608   3.894   1.806
  716    HB2  MET  87           HB2      MET  87   2.108   1.860   2.455
  717    HB3  MET  87           HB3      MET  87   0.620   1.144   3.056
  718    HG2  MET  87           HG2      MET  87  -0.364   1.244   0.874
  719    HG3  MET  87           HG3      MET  87   1.040   2.105   0.243
  720    HE1  MET  87           HE1      MET  87   1.146  -0.827   2.835
  721    HE2  MET  87           HE2      MET  87  -0.215  -1.291   1.813
  722    HE3  MET  87           HE3      MET  87   1.273  -2.239   1.786
  723    H    ALA  88           H        ALA  88  -1.708   3.475   1.267
  724    HA   ALA  88           HA       ALA  88  -3.379   3.428   3.691
  725    HB1  ALA  88           HB1      ALA  88  -2.993   5.759   3.524
  726    HB2  ALA  88           HB2      ALA  88  -3.202   5.740   1.771
  727    HB3  ALA  88           HB3      ALA  88  -4.604   5.479   2.826
  728    H    VAL  89           H        VAL  89  -4.649   1.725   3.138
  729    HA   VAL  89           HA       VAL  89  -5.672   1.548   0.464
  730    HB   VAL  89           HB       VAL  89  -5.359  -0.487   1.754
  731   HG11  VAL  89          HG11      VAL  89  -7.566   0.531   3.503
  732   HG12  VAL  89          HG12      VAL  89  -6.891  -1.096   3.549
  733   HG13  VAL  89          HG13      VAL  89  -5.882   0.287   3.962
  734   HG21  VAL  89          HG21      VAL  89  -7.480  -1.554   1.210
  735   HG22  VAL  89          HG22      VAL  89  -8.228   0.034   1.041
  736   HG23  VAL  89          HG23      VAL  89  -6.953  -0.462  -0.069
  737    H    TYR  90           H        TYR  90  -7.265   2.597  -0.316
  738    HA   TYR  90           HA       TYR  90  -8.908   4.263   1.441
  739    HB2  TYR  90           HB2      TYR  90  -6.877   5.352   0.322
  740    HB3  TYR  90           HB3      TYR  90  -7.693   5.074  -1.205
  741    HD1  TYR  90           HD1      TYR  90  -8.497   6.572   2.130
  742    HD2  TYR  90           HD2      TYR  90  -8.776   6.880  -2.101
  743    HE1  TYR  90           HE1      TYR  90  -9.737   8.681   2.370
  744    HE2  TYR  90           HE2      TYR  90 -10.007   8.994  -1.873
  745    HH   TYR  90           HH       TYR  90 -10.257  10.687   1.076
  746    H    ASP  91           H        ASP  91 -10.965   4.317   0.867
  747    HA   ASP  91           HA       ASP  91 -11.798   2.532  -1.286
  748    HB2  ASP  91           HB2      ASP  91 -12.744   2.239   0.944
  749    HB3  ASP  91           HB3      ASP  91 -13.421   3.867   0.875
  750    H    PHE  92           H        PHE  92 -12.308   3.344  -3.225
  751    HA   PHE  92           HA       PHE  92 -13.014   6.158  -3.472
  752    HB2  PHE  92           HB2      PHE  92 -11.576   4.841  -5.138
  753    HB3  PHE  92           HB3      PHE  92 -13.059   4.039  -5.635
  754    HD1  PHE  92           HD2      PHE  92 -11.313   7.282  -5.493
  755    HD2  PHE  92           HD1      PHE  92 -14.598   5.095  -7.080
  756    HE1  PHE  92           HE2      PHE  92 -11.778   9.121  -7.059
  757    HE2  PHE  92           HE1      PHE  92 -15.072   6.932  -8.645
  758    HZ   PHE  92           HZ       PHE  92 -13.602   8.926  -8.680
  759    H    ASP  93           H        ASP  93 -15.031   6.436  -2.499
  760    HA   ASP  93           HA       ASP  93 -17.056   4.408  -3.015
  761    HB2  ASP  93           HB2      ASP  93 -18.362   5.470  -1.228
  762    HB3  ASP  93           HB3      ASP  93 -16.741   5.052  -0.692
  763    H    ARG  94           H        ARG  94 -16.096   7.013  -4.595
  764    HA   ARG  94           HA       ARG  94 -16.899   7.891  -6.517
  765    HB2  ARG  94           HB2      ARG  94 -19.063   5.837  -6.099
  766    HB3  ARG  94           HB3      ARG  94 -18.789   6.723  -7.594
  767    HG2  ARG  94           HG2      ARG  94 -16.900   5.555  -8.108
  768    HG3  ARG  94           HG3      ARG  94 -16.510   5.228  -6.417
  769    HD2  ARG  94           HD2      ARG  94 -17.177   3.190  -7.554
  770    HD3  ARG  94           HD3      ARG  94 -18.347   3.620  -6.308
  771    HE   ARG  94           HE       ARG  94 -18.880   4.395  -9.088
  772   HH11  ARG  94          HH12      ARG  94 -19.683   2.558  -6.227
  773   HH12  ARG  94          HH11      ARG  94 -21.160   1.912  -6.880
  774   HH21  ARG  94          HH22      ARG  94 -20.846   3.578  -9.962
  775   HH22  ARG  94          HH21      ARG  94 -21.827   2.505  -9.005
  776    H    PHE  95           H        PHE  95 -18.477   8.549  -3.680
  777    HA   PHE  95           HA       PHE  95 -20.248  10.447  -5.045
  778    HB2  PHE  95           HB2      PHE  95 -21.196   8.518  -2.914
  779    HB3  PHE  95           HB3      PHE  95 -22.130   9.879  -3.522
  780    HD1  PHE  95           HD1      PHE  95 -22.680   9.898  -6.020
  781    HD2  PHE  95           HD2      PHE  95 -21.315   6.443  -3.946
  782    HE1  PHE  95           HE1      PHE  95 -23.591   8.473  -7.807
  783    HE2  PHE  95           HE2      PHE  95 -22.222   5.009  -5.728
  784    HZ   PHE  95           HZ       PHE  95 -23.367   6.016  -7.653
  785    H    SER  96           H        SER  96 -19.652   9.319  -1.714
  786    HA   SER  96           HA       SER  96 -19.646  12.075  -0.817
  787    HB2  SER  96           HB2      SER  96 -19.381  10.972   1.453
  788    HB3  SER  96           HB3      SER  96 -20.857  10.562   0.581
  789    HG   SER  96           HG       SER  96 -18.566   8.945   0.283
  790    H    LYS  97           H        LYS  97 -17.850  12.359   1.074
  791    HA   LYS  97           HA       LYS  97 -15.333  12.125  -0.223
  792    HB2  LYS  97           HB2      LYS  97 -16.048  12.946   2.594
  793    HB3  LYS  97           HB3      LYS  97 -14.410  12.980   1.950
  794    HG2  LYS  97           HG2      LYS  97 -15.212  14.508   0.161
  795    HG3  LYS  97           HG3      LYS  97 -16.775  14.562   0.976
  796    HD2  LYS  97           HD2      LYS  97 -15.724  15.493   2.966
  797    HD3  LYS  97           HD3      LYS  97 -14.140  15.386   2.197
  798    HE2  LYS  97           HE2      LYS  97 -15.004  17.660   2.094
  799    HE3  LYS  97           HE3      LYS  97 -14.863  16.967   0.480
  800    HZ1  LYS  97           HZ1      LYS  97 -16.957  18.218   0.895
  801    HZ2  LYS  97           HZ2      LYS  97 -17.399  17.033   2.024
  802    HZ3  LYS  97           HZ3      LYS  97 -17.204  16.618   0.392
  803    H    HIS  98           H        HIS  98 -13.983  10.574  -0.198
  804    HA   HIS  98           HA       HIS  98 -14.734   8.044   0.669
  805    HB2  HIS  98           HB2      HIS  98 -12.010   8.900  -0.291
  806    HB3  HIS  98           HB3      HIS  98 -12.708   7.285  -0.361
  807    HD1  HIS  98           HD1      HIS  98 -15.543   8.585  -1.393
  808    HD2  HIS  98           HD2      HIS  98 -11.766   8.917  -3.104
  809    HE1  HIS  98           HE1      HIS  98 -15.934   9.215  -3.797
  810    HE2  HIS  98           HE2      HIS  98 -13.637   9.676  -4.718
  811    H    ASP  99           H        ASP  99 -14.467   7.075   2.451
  812    HA   ASP  99           HA       ASP  99 -12.726   8.167   4.511
  813    HB2  ASP  99           HB2      ASP  99 -14.965   7.400   5.138
  814    HB3  ASP  99           HB3      ASP  99 -14.578   5.777   4.576
  815    H    ILE 100           H        ILE 100 -10.682   7.456   4.939
  816    HA   ILE 100           HA       ILE 100  -9.517   5.285   3.548
  817    HB   ILE 100           HB       ILE 100  -8.639   6.483   6.190
  818   HG12  ILE 100          HG12      ILE 100  -7.829   7.270   3.382
  819   HG13  ILE 100          HG13      ILE 100  -8.860   8.215   4.453
  820   HG21  ILE 100          HG21      ILE 100  -6.410   5.675   5.553
  821   HG22  ILE 100          HG22      ILE 100  -7.575   4.360   5.713
  822   HG23  ILE 100          HG23      ILE 100  -7.105   4.931   4.112
  823   HD11  ILE 100          HD11      ILE 100  -5.975   7.518   4.955
  824   HD12  ILE 100          HD12      ILE 100  -6.587   9.077   4.401
  825   HD13  ILE 100          HD13      ILE 100  -7.008   8.485   6.010
  826    H    ILE 101           H        ILE 101  -9.798   3.188   3.916
  827    HA   ILE 101           HA       ILE 101 -11.330   2.329   6.183
  828    HB   ILE 101           HB       ILE 101 -11.129   0.054   5.236
  829   HG12  ILE 101          HG12      ILE 101  -9.255   1.479   3.435
  830   HG13  ILE 101          HG13      ILE 101  -9.200  -0.167   4.044
  831   HG21  ILE 101          HG21      ILE 101 -12.539   0.511   3.274
  832   HG22  ILE 101          HG22      ILE 101 -12.997   1.488   4.671
  833   HG23  ILE 101          HG23      ILE 101 -12.074   2.210   3.354
  834   HD11  ILE 101          HD11      ILE 101  -9.525  -0.142   1.638
  835   HD12  ILE 101          HD12      ILE 101 -10.920  -0.843   2.456
  836   HD13  ILE 101          HD13      ILE 101 -10.998   0.806   1.833
  837    H    GLY 102           H        GLY 102  -8.011   2.006   5.012
  838    HA2  GLY 102           HA3      GLY 102  -7.062   2.067   7.693
  839    HA3  GLY 102           HA2      GLY 102  -6.937   0.451   7.022
  840    H    GLU 103           H        GLU 103  -4.631   0.772   7.423
  841    HA   GLU 103           HA       GLU 103  -3.151   2.098   5.366
  842    HB2  GLU 103           HB2      GLU 103  -2.208   3.876   6.566
  843    HB3  GLU 103           HB3      GLU 103  -3.910   3.953   7.001
  844    HG2  GLU 103           HG2      GLU 103  -3.515   3.042   9.135
  845    HG3  GLU 103           HG3      GLU 103  -1.893   2.510   8.689
  846    H    PHE 104           H        PHE 104  -0.799   2.007   5.882
  847    HA   PHE 104           HA       PHE 104  -0.072  -0.060   7.880
  848    HB2  PHE 104           HB2      PHE 104  -0.208  -1.276   5.775
  849    HB3  PHE 104           HB3      PHE 104   0.746  -0.045   4.953
  850    HD1  PHE 104           HD1      PHE 104   1.145  -1.949   8.145
  851    HD2  PHE 104           HD2      PHE 104   2.824  -0.833   4.395
  852    HE1  PHE 104           HE1      PHE 104   3.191  -3.204   8.688
  853    HE2  PHE 104           HE2      PHE 104   4.867  -2.087   4.935
  854    HZ   PHE 104           HZ       PHE 104   5.089  -3.193   7.129
  855    H    LYS 105           H        LYS 105   1.942   0.422   8.812
  856    HA   LYS 105           HA       LYS 105   3.179   2.939   7.930
  857    HB2  LYS 105           HB2      LYS 105   1.579   3.317   9.819
  858    HB3  LYS 105           HB3      LYS 105   2.543   2.223  10.800
  859    HG2  LYS 105           HG2      LYS 105   3.194   4.403  11.404
  860    HG3  LYS 105           HG3      LYS 105   4.495   3.767  10.396
  861    HD2  LYS 105           HD2      LYS 105   4.279   5.736   9.318
  862    HD3  LYS 105           HD3      LYS 105   2.936   4.921   8.517
  863    HE2  LYS 105           HE2      LYS 105   2.787   6.760  10.902
  864    HE3  LYS 105           HE3      LYS 105   2.222   7.097   9.269
  865    HZ1  LYS 105           HZ1      LYS 105   0.525   5.420   9.504
  866    HZ2  LYS 105           HZ2      LYS 105   0.430   6.495  10.814
  867    HZ3  LYS 105           HZ3      LYS 105   1.125   4.968  11.029
  868    H    VAL 106           H        VAL 106   5.251   2.641   7.573
  869    HA   VAL 106           HA       VAL 106   6.837   1.131   9.434
  870    HB   VAL 106           HB       VAL 106   6.227  -0.661   7.935
  871   HG11  VAL 106          HG11      VAL 106   6.700  -0.597   5.531
  872   HG12  VAL 106          HG12      VAL 106   5.526   0.636   5.998
  873   HG13  VAL 106          HG13      VAL 106   7.200   1.090   5.678
  874   HG21  VAL 106          HG21      VAL 106   9.016   0.322   7.357
  875   HG22  VAL 106          HG22      VAL 106   8.514  -0.667   8.730
  876   HG23  VAL 106          HG23      VAL 106   8.435  -1.324   7.094
  877    HA   PRO 107           HA       PRO 107   9.236   4.674   8.066
  878    HB2  PRO 107           HB2      PRO 107  11.328   4.242   9.748
  879    HB3  PRO 107           HB3      PRO 107   9.873   5.127  10.231
  880    HG2  PRO 107           HG2      PRO 107  10.622   2.289  10.729
  881    HG3  PRO 107           HG3      PRO 107   9.830   3.432  11.826
  882    HD2  PRO 107           HD2      PRO 107   8.532   1.488  10.467
  883    HD3  PRO 107           HD3      PRO 107   7.754   3.029  10.884
  884    H    MET 108           H        MET 108  10.503   4.541   6.386
  885    HA   MET 108           HA       MET 108  10.731   2.033   5.186
  886    HB2  MET 108           HB2      MET 108  12.058   4.640   4.419
  887    HB3  MET 108           HB3      MET 108  11.988   3.203   3.416
  888    HG2  MET 108           HG2      MET 108   9.407   3.472   3.768
  889    HG3  MET 108           HG3      MET 108   9.867   5.151   4.074
  890    HE1  MET 108           HE1      MET 108  12.117   5.633   0.751
  891    HE2  MET 108           HE2      MET 108  11.854   6.240   2.385
  892    HE3  MET 108           HE3      MET 108  12.666   4.693   2.139
  893    H    ASN 109           H        ASN 109  12.782   3.873   7.150
  894    HA   ASN 109           HA       ASN 109  15.292   3.146   6.092
  895    HB2  ASN 109           HB2      ASN 109  15.895   3.681   8.680
  896    HB3  ASN 109           HB3      ASN 109  15.649   4.914   7.448
  897   HD21  ASN 109          HD21      ASN 109  13.774   6.118   7.434
  898   HD22  ASN 109          HD22      ASN 109  12.707   6.180   8.810
  899    H    THR 110           H        THR 110  13.065   1.292   7.807
  900    HA   THR 110           HA       THR 110  15.225  -0.251   9.106
  901    HB   THR 110           HB       THR 110  13.363  -1.316  10.446
  902    HG1  THR 110           HG1      THR 110  11.872   0.878   9.370
  903   HG21  THR 110          HG21      THR 110  13.171   0.577  11.989
  904   HG22  THR 110          HG22      THR 110  13.750   1.667  10.728
  905   HG23  THR 110          HG23      THR 110  14.817   0.417  11.374
  906    H    VAL 111           H        VAL 111  12.358  -0.551   7.068
  907    HA   VAL 111           HA       VAL 111  13.238  -3.257   6.361
  908    HB   VAL 111           HB       VAL 111  10.636  -1.954   5.569
  909   HG11  VAL 111          HG11      VAL 111   9.960  -4.273   5.053
  910   HG12  VAL 111          HG12      VAL 111  11.322  -3.734   4.068
  911   HG13  VAL 111          HG13      VAL 111  11.596  -4.813   5.435
  912   HG21  VAL 111          HG21      VAL 111   9.607  -3.367   7.301
  913   HG22  VAL 111          HG22      VAL 111  11.212  -3.885   7.817
  914   HG23  VAL 111          HG23      VAL 111  10.733  -2.196   7.989
  915    H    ASP 112           H        ASP 112  14.581  -3.394   4.602
  916    HA   ASP 112           HA       ASP 112  14.453  -1.273   2.624
  917    HB2  ASP 112           HB2      ASP 112  16.086  -3.816   2.767
  918    HB3  ASP 112           HB3      ASP 112  16.205  -2.656   1.453
  919    H    PHE 113           H        PHE 113  12.580  -1.342   1.527
  920    HA   PHE 113           HA       PHE 113  11.854  -3.848   0.130
  921    HB2  PHE 113           HB2      PHE 113   9.614  -2.322  -0.088
  922    HB3  PHE 113           HB3      PHE 113   9.900  -3.490   1.191
  923    HD1  PHE 113           HD1      PHE 113  10.952   0.015   0.538
  924    HD2  PHE 113           HD2      PHE 113   9.187  -2.748   3.248
  925    HE1  PHE 113           HE1      PHE 113  10.677   1.814   2.187
  926    HE2  PHE 113           HE2      PHE 113   8.907  -0.951   4.900
  927    HZ   PHE 113           HZ       PHE 113   9.721   1.245   4.473
  928    H    GLY 114           H        GLY 114  13.725  -2.811  -1.161
  929    HA2  GLY 114           HA3      GLY 114  12.983  -1.183  -3.405
  930    HA3  GLY 114           HA2      GLY 114  14.430  -2.142  -3.243
  931    H    HIS 115           H        HIS 115  13.422  -4.750  -3.147
  932    HA   HIS 115           HA       HIS 115  12.035  -5.109  -5.727
  933    HB2  HIS 115           HB2      HIS 115  14.405  -5.947  -5.522
  934    HB3  HIS 115           HB3      HIS 115  13.851  -7.056  -4.277
  935    HD1  HIS 115           HD1      HIS 115  14.085  -9.274  -5.360
  936    HD2  HIS 115           HD2      HIS 115  12.211  -6.513  -7.848
  937    HE1  HIS 115           HE1      HIS 115  13.307 -10.580  -7.361
  938    HE2  HIS 115           HE2      HIS 115  12.305  -8.874  -8.914
  939    H    VAL 116           H        VAL 116  11.958  -8.154  -4.390
  940    HA   VAL 116           HA       VAL 116   9.424  -7.634  -3.002
  941    HB   VAL 116           HB       VAL 116   8.395  -9.589  -4.151
  942   HG11  VAL 116          HG11      VAL 116   7.920  -8.404  -6.244
  943   HG12  VAL 116          HG12      VAL 116   7.890  -7.315  -4.856
  944   HG13  VAL 116          HG13      VAL 116   9.285  -7.330  -5.936
  945   HG21  VAL 116          HG21      VAL 116   9.367 -10.372  -6.257
  946   HG22  VAL 116          HG22      VAL 116  10.797  -9.384  -5.961
  947   HG23  VAL 116          HG23      VAL 116  10.418 -10.732  -4.886
  948    H    THR 117           H        THR 117   9.831  -8.309  -0.955
  949    HA   THR 117           HA       THR 117  10.596 -11.087  -0.427
  950    HB   THR 117           HB       THR 117  10.361  -8.693   1.398
  951    HG1  THR 117           HG1      THR 117  12.462 -10.440   0.612
  952   HG21  THR 117          HG21      THR 117  10.957 -10.192   3.261
  953   HG22  THR 117          HG22      THR 117  10.778 -11.581   2.187
  954   HG23  THR 117          HG23      THR 117   9.378 -10.582   2.580
  955    H    GLU 118           H        GLU 118   9.016 -12.571   0.311
  956    HA   GLU 118           HA       GLU 118   6.301 -11.461  -0.056
  957    HB2  GLU 118           HB2      GLU 118   7.139 -14.361  -0.240
  958    HB3  GLU 118           HB3      GLU 118   5.661 -13.627  -0.850
  959    HG2  GLU 118           HG2      GLU 118   6.891 -12.438  -2.539
  960    HG3  GLU 118           HG3      GLU 118   8.422 -13.018  -1.890
  961    H    GLU 119           H        GLU 119   5.200 -11.119   1.700
  962    HA   GLU 119           HA       GLU 119   5.047 -13.160   3.736
  963    HB2  GLU 119           HB2      GLU 119   5.545 -11.443   5.524
  964    HB3  GLU 119           HB3      GLU 119   6.934 -12.044   4.623
  965    HG2  GLU 119           HG2      GLU 119   7.032 -10.044   3.309
  966    HG3  GLU 119           HG3      GLU 119   5.519  -9.463   3.998
  967    H    TRP 120           H        TRP 120   3.500 -12.595   5.349
  968    HA   TRP 120           HA       TRP 120   1.214 -11.317   4.067
  969    HB2  TRP 120           HB2      TRP 120   1.337 -12.999   6.584
  970    HB3  TRP 120           HB3      TRP 120  -0.130 -12.412   5.818
  971    HD1  TRP 120           HD1      TRP 120   0.150 -15.448   6.284
  972    HE1  TRP 120           HE1      TRP 120   0.265 -17.118   4.330
  973    HE3  TRP 120           HE3      TRP 120   1.713 -12.283   2.571
  974    HZ2  TRP 120           HZ2      TRP 120   0.936 -17.098   1.593
  975    HZ3  TRP 120           HZ3      TRP 120   2.058 -13.186   0.319
  976    HH2  TRP 120           HH2      TRP 120   1.680 -15.550  -0.162
  977    H    ARG 121           H        ARG 121   0.968  -9.238   4.451
  978    HA   ARG 121           HA       ARG 121   1.852  -8.181   7.046
  979    HB2  ARG 121           HB2      ARG 121   3.290  -7.572   5.100
  980    HB3  ARG 121           HB3      ARG 121   1.905  -6.787   4.360
  981    HG2  ARG 121           HG2      ARG 121   3.454  -5.224   5.486
  982    HG3  ARG 121           HG3      ARG 121   1.810  -5.160   6.123
  983    HD2  ARG 121           HD2      ARG 121   3.479  -5.106   7.918
  984    HD3  ARG 121           HD3      ARG 121   2.461  -6.539   8.016
  985    HE   ARG 121           HE       ARG 121   4.780  -7.192   6.569
  986   HH11  ARG 121          HH12      ARG 121   3.864  -6.269   9.834
  987   HH12  ARG 121          HH11      ARG 121   5.134  -7.200  10.575
  988   HH21  ARG 121          HH22      ARG 121   6.441  -8.387   7.536
  989   HH22  ARG 121          HH21      ARG 121   6.597  -8.404   9.273
  990    H    ASP 122           H        ASP 122   0.517  -6.433   7.956
  991    HA   ASP 122           HA       ASP 122  -2.245  -7.077   7.217
  992    HB2  ASP 122           HB2      ASP 122  -2.819  -6.378   9.519
  993    HB3  ASP 122           HB3      ASP 122  -1.676  -7.714   9.495
  994    H    LEU 123           H        LEU 123  -3.516  -5.612   6.538
  995    HA   LEU 123           HA       LEU 123  -2.729  -2.838   6.463
  996    HB2  LEU 123           HB2      LEU 123  -4.145  -4.532   4.763
  997    HB3  LEU 123           HB3      LEU 123  -5.391  -3.537   5.491
  998    HG   LEU 123           HG       LEU 123  -4.653  -1.613   4.458
  999   HD11  LEU 123          HD11      LEU 123  -2.384  -1.711   5.377
 1000   HD12  LEU 123          HD12      LEU 123  -1.936  -2.886   4.138
 1001   HD13  LEU 123          HD13      LEU 123  -2.376  -1.240   3.676
 1002   HD21  LEU 123          HD21      LEU 123  -3.676  -3.782   2.588
 1003   HD22  LEU 123          HD22      LEU 123  -5.353  -3.255   2.764
 1004   HD23  LEU 123          HD23      LEU 123  -4.141  -2.139   2.136
 1005    H    GLN 124           H        GLN 124  -3.343  -1.573   8.112
 1006    HA   GLN 124           HA       GLN 124  -5.142  -2.770  10.083
 1007    HB2  GLN 124           HB2      GLN 124  -3.903  -1.802  11.746
 1008    HB3  GLN 124           HB3      GLN 124  -2.647  -1.922  10.521
 1009    HG2  GLN 124           HG2      GLN 124  -3.541   0.466   9.871
 1010    HG3  GLN 124           HG3      GLN 124  -4.095   0.461  11.540
 1011   HE21  GLN 124          HE21      GLN 124  -1.359   0.375   9.439
 1012   HE22  GLN 124          HE22      GLN 124  -0.168   0.793  10.623
 1013    H    SER 125           H        SER 125  -6.883  -1.655  10.805
 1014    HA   SER 125           HA       SER 125  -7.933   0.422   9.185
 1015    HB2  SER 125           HB2      SER 125  -9.454  -1.128  10.298
 1016    HB3  SER 125           HB3      SER 125  -8.869  -0.610  11.877
 1017    HG   SER 125           HG       SER 125  -9.822   1.380  11.591
 1018    H    ALA 126           H        ALA 126  -7.372   2.495   9.267
 1019    HA   ALA 126           HA       ALA 126  -6.188   3.531  11.722
 1020    HB1  ALA 126           HB1      ALA 126  -5.031   4.026   9.620
 1021    HB2  ALA 126           HB2      ALA 126  -6.489   4.799   8.996
 1022    HB3  ALA 126           HB3      ALA 126  -5.638   5.504  10.369
 1023    H    GLU 127           H        GLU 127  -7.141   5.134  12.891
 1024    HA   GLU 127           HA       GLU 127 -10.020   5.400  12.393
 1025    HB2  GLU 127           HB2      GLU 127  -8.705   6.050  15.011
 1026    HB3  GLU 127           HB3      GLU 127 -10.343   5.490  14.701
 1027    HG2  GLU 127           HG2      GLU 127  -7.893   3.782  14.329
 1028    HG3  GLU 127           HG3      GLU 127  -8.836   3.834  15.813
 1029    H    LYS 128           H        LYS 128  -9.625   7.128  10.863
 1030    HA   LYS 128           HA       LYS 128  -8.791   9.648  12.130
 1031    HB2  LYS 128           HB2      LYS 128  -7.399   8.771  10.200
 1032    HB3  LYS 128           HB3      LYS 128  -8.797   9.030   9.170
 1033    HG2  LYS 128           HG2      LYS 128  -7.637  11.264  10.792
 1034    HG3  LYS 128           HG3      LYS 128  -6.955  10.816   9.231
 1035    HD2  LYS 128           HD2      LYS 128  -9.832  11.592   9.710
 1036    HD3  LYS 128           HD3      LYS 128  -8.584  12.666   9.076
 1037    HE2  LYS 128           HE2      LYS 128  -9.474  10.087   7.791
 1038    HE3  LYS 128           HE3      LYS 128 -10.012  11.695   7.307
 1039    HZ1  LYS 128           HZ1      LYS 128  -8.230  10.913   5.888
 1040    HZ2  LYS 128           HZ2      LYS 128  -7.206  10.704   7.225
 1041    HZ3  LYS 128           HZ3      LYS 128  -7.714  12.258   6.781
  Start of MODEL    8
    1    H1   GLU   1           H1       GLU   1 -13.934   1.271  10.530
    2    H2   GLU   1           H2       GLU   1 -12.860   0.797  11.748
    3    H3   GLU   1           H3       GLU   1 -13.953  -0.330  11.098
    4    HB2  GLU   1           HB2      GLU   1 -10.647   0.964   8.869
    5    HB3  GLU   1           HB3      GLU   1 -11.875   2.136   9.320
    6    HG2  GLU   1           HG2      GLU   1 -10.364   0.696  11.429
    7    HG3  GLU   1           HG3      GLU   1  -9.586   2.017  10.567
    8    H    LYS   2           H        LYS   2 -10.626  -1.158   8.511
    9    HA   LYS   2           HA       LYS   2 -10.589  -3.535  10.220
   10    HB2  LYS   2           HB2      LYS   2 -11.098  -3.619   7.301
   11    HB3  LYS   2           HB3      LYS   2 -11.143  -4.972   8.418
   12    HG2  LYS   2           HG2      LYS   2 -13.066  -2.675   8.277
   13    HG3  LYS   2           HG3      LYS   2 -13.399  -4.362   7.865
   14    HD2  LYS   2           HD2      LYS   2 -12.523  -3.432  10.578
   15    HD3  LYS   2           HD3      LYS   2 -14.224  -3.598  10.120
   16    HE2  LYS   2           HE2      LYS   2 -12.270  -5.873   9.872
   17    HE3  LYS   2           HE3      LYS   2 -13.158  -5.558  11.363
   18    HZ1  LYS   2           HZ1      LYS   2 -14.259  -7.208   9.940
   19    HZ2  LYS   2           HZ2      LYS   2 -14.423  -6.048   8.715
   20    HZ3  LYS   2           HZ3      LYS   2 -15.221  -5.839  10.195
   21    H    LEU   3           H        LEU   3  -8.505  -3.978  10.459
   22    HA   LEU   3           HA       LEU   3  -6.506  -3.051   8.840
   23    HB2  LEU   3           HB2      LEU   3  -6.160  -5.280  10.826
   24    HB3  LEU   3           HB3      LEU   3  -4.932  -4.199  10.189
   25    HG   LEU   3           HG       LEU   3  -6.248  -2.345  11.442
   26   HD11  LEU   3          HD11      LEU   3  -8.203  -3.325  12.203
   27   HD12  LEU   3          HD12      LEU   3  -7.399  -4.844  12.613
   28   HD13  LEU   3          HD13      LEU   3  -7.160  -3.417  13.617
   29   HD21  LEU   3          HD21      LEU   3  -3.987  -3.160  11.965
   30   HD22  LEU   3          HD22      LEU   3  -4.905  -2.743  13.416
   31   HD23  LEU   3          HD23      LEU   3  -4.695  -4.435  12.958
   32    H    GLY   4           H        GLY   4  -8.059  -6.320   9.167
   33    HA2  GLY   4           HA3      GLY   4  -8.231  -7.812   7.384
   34    HA3  GLY   4           HA2      GLY   4  -7.744  -6.469   6.346
   35    H    LYS   5           H        LYS   5  -6.506  -8.241   5.200
   36    HA   LYS   5           HA       LYS   5  -3.842  -7.591   6.185
   37    HB2  LYS   5           HB2      LYS   5  -4.472 -10.335   5.141
   38    HB3  LYS   5           HB3      LYS   5  -2.872  -9.735   5.507
   39    HG2  LYS   5           HG2      LYS   5  -3.584  -9.457   7.865
   40    HG3  LYS   5           HG3      LYS   5  -5.104 -10.246   7.448
   41    HD2  LYS   5           HD2      LYS   5  -3.905 -12.058   8.178
   42    HD3  LYS   5           HD3      LYS   5  -3.464 -12.079   6.469
   43    HE2  LYS   5           HE2      LYS   5  -1.416 -12.301   7.560
   44    HE3  LYS   5           HE3      LYS   5  -1.490 -10.576   7.174
   45    HZ1  LYS   5           HZ1      LYS   5  -2.148 -10.094   9.407
   46    HZ2  LYS   5           HZ2      LYS   5  -0.750 -11.050   9.465
   47    HZ3  LYS   5           HZ3      LYS   5  -2.264 -11.741   9.795
   48    H    LEU   6           H        LEU   6  -2.247  -7.643   4.579
   49    HA   LEU   6           HA       LEU   6  -3.170  -7.531   1.789
   50    HB2  LEU   6           HB2      LEU   6  -2.874  -5.275   2.786
   51    HB3  LEU   6           HB3      LEU   6  -1.290  -5.726   3.314
   52    HG   LEU   6           HG       LEU   6  -1.856  -5.684   0.395
   53   HD11  LEU   6          HD11      LEU   6  -2.685  -3.486   1.258
   54   HD12  LEU   6          HD12      LEU   6  -1.161  -3.257   2.115
   55   HD13  LEU   6          HD13      LEU   6  -1.190  -3.284   0.347
   56   HD21  LEU   6          HD21      LEU   6   0.491  -5.322   2.209
   57   HD22  LEU   6          HD22      LEU   6   0.199  -6.575   0.994
   58   HD23  LEU   6          HD23      LEU   6   0.530  -4.920   0.482
   59    H    GLN   7           H        GLN   7  -2.144  -9.412   1.050
   60    HA   GLN   7           HA       GLN   7   0.333 -10.069   2.476
   61    HB2  GLN   7           HB2      GLN   7  -0.188 -12.320   1.113
   62    HB3  GLN   7           HB3      GLN   7  -0.896 -11.966   2.683
   63    HG2  GLN   7           HG2      GLN   7  -2.402 -10.923   0.398
   64    HG3  GLN   7           HG3      GLN   7  -2.283 -12.680   0.467
   65   HE21  GLN   7          HE21      GLN   7  -3.422  -9.817   2.147
   66   HE22  GLN   7          HE22      GLN   7  -4.537 -10.642   3.175
   67    H    TYR   8           H        TYR   8   1.998  -8.935   1.304
   68    HA   TYR   8           HA       TYR   8   2.816 -10.837  -0.608
   69    HB2  TYR   8           HB2      TYR   8   1.583  -9.006  -1.946
   70    HB3  TYR   8           HB3      TYR   8   3.212  -8.331  -2.002
   71    HD1  TYR   8           HD2      TYR   8   2.917 -11.909  -1.578
   72    HD2  TYR   8           HD1      TYR   8   3.240  -8.842  -4.509
   73    HE1  TYR   8           HE2      TYR   8   3.575 -13.584  -3.248
   74    HE2  TYR   8           HE1      TYR   8   3.900 -10.513  -6.187
   75    HH   TYR   8           HH       TYR   8   3.582 -13.882  -5.648
   76    H    SER   9           H        SER   9   4.794  -9.164  -1.959
   77    HA   SER   9           HA       SER   9   6.873  -9.243   0.079
   78    HB2  SER   9           HB2      SER   9   8.236 -10.387  -1.885
   79    HB3  SER   9           HB3      SER   9   7.289 -11.352  -0.758
   80    HG   SER   9           HG       SER   9   6.006 -11.900  -2.339
   81    H    LEU  10           H        LEU  10   8.047  -7.602  -0.051
   82    HA   LEU  10           HA       LEU  10   7.970  -5.806  -2.344
   83    HB2  LEU  10           HB2      LEU  10   8.767  -4.944   0.391
   84    HB3  LEU  10           HB3      LEU  10   7.951  -4.038  -0.866
   85    HG   LEU  10           HG       LEU  10   6.733  -6.075   0.999
   86   HD11  LEU  10          HD11      LEU  10   5.319  -4.116   1.552
   87   HD12  LEU  10          HD12      LEU  10   7.025  -3.946   1.988
   88   HD13  LEU  10          HD13      LEU  10   6.399  -3.144   0.548
   89   HD21  LEU  10          HD21      LEU  10   5.376  -4.604  -1.267
   90   HD22  LEU  10          HD22      LEU  10   5.746  -6.331  -1.249
   91   HD23  LEU  10          HD23      LEU  10   4.595  -5.669  -0.079
   92    H    ASP  11           H        ASP  11   9.947  -4.981  -3.108
   93    HA   ASP  11           HA       ASP  11  12.316  -6.424  -2.092
   94    HB2  ASP  11           HB2      ASP  11  11.208  -7.746  -3.910
   95    HB3  ASP  11           HB3      ASP  11  11.449  -6.389  -4.999
   96    H    TYR  12           H        TYR  12  14.367  -5.561  -3.235
   97    HA   TYR  12           HA       TYR  12  13.952  -2.905  -4.455
   98    HB2  TYR  12           HB2      TYR  12  15.238  -1.767  -2.988
   99    HB3  TYR  12           HB3      TYR  12  14.780  -3.054  -1.886
  100    HD1  TYR  12           HD1      TYR  12  16.444  -5.102  -1.802
  101    HD2  TYR  12           HD2      TYR  12  17.447  -1.236  -3.272
  102    HE1  TYR  12           HE1      TYR  12  18.824  -5.571  -1.406
  103    HE2  TYR  12           HE2      TYR  12  19.826  -1.700  -2.880
  104    HH   TYR  12           HH       TYR  12  21.006  -4.829  -2.158
  105    H    ASP  13           H        ASP  13  14.777  -2.840  -6.340
  106    HA   ASP  13           HA       ASP  13  17.070  -4.566  -6.986
  107    HB2  ASP  13           HB2      ASP  13  15.232  -4.459  -8.660
  108    HB3  ASP  13           HB3      ASP  13  15.482  -2.722  -8.803
  109    H    PHE  14           H        PHE  14  19.114  -3.690  -7.048
  110    HA   PHE  14           HA       PHE  14  19.103  -1.023  -5.908
  111    HB2  PHE  14           HB2      PHE  14  21.480  -1.492  -5.347
  112    HB3  PHE  14           HB3      PHE  14  20.359  -2.668  -4.677
  113    HD1  PHE  14           HD1      PHE  14  20.264  -4.946  -5.575
  114    HD2  PHE  14           HD2      PHE  14  23.103  -2.110  -6.991
  115    HE1  PHE  14           HE1      PHE  14  21.571  -6.765  -6.593
  116    HE2  PHE  14           HE2      PHE  14  24.413  -3.923  -8.009
  117    HZ   PHE  14           HZ       PHE  14  23.650  -6.252  -7.814
  118    H    GLN  15           H        GLN  15  20.042  -2.552  -8.963
  119    HA   GLN  15           HA       GLN  15  21.537  -0.129  -9.537
  120    HB2  GLN  15           HB2      GLN  15  22.157  -1.254 -11.620
  121    HB3  GLN  15           HB3      GLN  15  22.584  -2.177 -10.199
  122    HG2  GLN  15           HG2      GLN  15  21.786  -3.749 -11.731
  123    HG3  GLN  15           HG3      GLN  15  20.450  -3.501 -10.610
  124   HE21  GLN  15          HE21      GLN  15  18.556  -2.622 -11.336
  125   HE22  GLN  15          HE22      GLN  15  18.257  -2.220 -12.997
  126    H    ASN  16           H        ASN  16  18.177  -0.897  -9.865
  127    HA   ASN  16           HA       ASN  16  18.247   1.510 -11.513
  128    HB2  ASN  16           HB2      ASN  16  15.740   1.188 -11.482
  129    HB3  ASN  16           HB3      ASN  16  16.660   0.010 -12.392
  130   HD21  ASN  16          HD21      ASN  16  14.996  -1.493 -12.242
  131   HD22  ASN  16          HD22      ASN  16  14.670  -2.334 -10.770
  132    H    ASN  17           H        ASN  17  18.336   0.419  -8.477
  133    HA   ASN  17           HA       ASN  17  18.322   1.220  -6.455
  134    HB2  ASN  17           HB2      ASN  17  19.410   3.246  -7.985
  135    HB3  ASN  17           HB3      ASN  17  18.166   4.056  -7.033
  136   HD21  ASN  17          HD21      ASN  17  18.349   2.037  -4.938
  137   HD22  ASN  17          HD22      ASN  17  19.803   2.375  -4.055
  138    H    GLN  18           H        GLN  18  16.010   0.278  -6.877
  139    HA   GLN  18           HA       GLN  18  14.165   2.374  -6.007
  140    HB2  GLN  18           HB2      GLN  18  12.393   1.356  -7.292
  141    HB3  GLN  18           HB3      GLN  18  13.702   1.805  -8.351
  142    HG2  GLN  18           HG2      GLN  18  12.981  -0.253  -9.137
  143    HG3  GLN  18           HG3      GLN  18  14.435  -0.613  -8.222
  144   HE21  GLN  18          HE21      GLN  18  11.096  -0.092  -6.914
  145   HE22  GLN  18          HE22      GLN  18  11.007  -1.667  -6.251
  146    H    LEU  19           H        LEU  19  13.025   1.900  -4.269
  147    HA   LEU  19           HA       LEU  19  13.036  -0.811  -3.222
  148    HB2  LEU  19           HB2      LEU  19  11.748   1.727  -2.216
  149    HB3  LEU  19           HB3      LEU  19  11.686   0.177  -1.384
  150    HG   LEU  19           HG       LEU  19  14.277   1.544  -2.064
  151   HD11  LEU  19          HD11      LEU  19  14.338   2.295   0.268
  152   HD12  LEU  19          HD12      LEU  19  12.987   3.016  -0.605
  153   HD13  LEU  19          HD13      LEU  19  12.703   1.679   0.508
  154   HD21  LEU  19          HD21      LEU  19  13.535  -0.660  -0.141
  155   HD22  LEU  19          HD22      LEU  19  14.448  -0.828  -1.641
  156   HD23  LEU  19          HD23      LEU  19  15.136   0.069  -0.288
  157    H    LEU  20           H        LEU  20  11.179  -2.075  -3.135
  158    HA   LEU  20           HA       LEU  20   9.037  -1.224  -4.981
  159    HB2  LEU  20           HB2      LEU  20  10.956  -2.862  -5.738
  160    HB3  LEU  20           HB3      LEU  20  10.043  -4.040  -4.825
  161    HG   LEU  20           HG       LEU  20   8.567  -2.471  -6.865
  162   HD11  LEU  20          HD11      LEU  20  10.448  -4.729  -7.549
  163   HD12  LEU  20          HD12      LEU  20   9.356  -3.902  -8.659
  164   HD13  LEU  20          HD13      LEU  20  10.719  -3.030  -7.946
  165   HD21  LEU  20          HD21      LEU  20   7.450  -4.147  -5.467
  166   HD22  LEU  20          HD22      LEU  20   7.442  -4.612  -7.167
  167   HD23  LEU  20          HD23      LEU  20   8.572  -5.375  -6.050
  168    H    VAL  21           H        VAL  21   6.995  -1.615  -4.248
  169    HA   VAL  21           HA       VAL  21   6.689  -3.521  -2.027
  170    HB   VAL  21           HB       VAL  21   5.160  -0.949  -2.517
  171   HG11  VAL  21          HG11      VAL  21   3.686  -2.640  -1.609
  172   HG12  VAL  21          HG12      VAL  21   4.842  -2.991  -0.324
  173   HG13  VAL  21          HG13      VAL  21   4.038  -1.422  -0.384
  174   HG21  VAL  21          HG21      VAL  21   6.154  -0.177  -0.431
  175   HG22  VAL  21          HG22      VAL  21   7.053  -1.688  -0.292
  176   HG23  VAL  21          HG23      VAL  21   7.399  -0.574  -1.616
  177    H    GLY  22           H        GLY  22   6.241  -5.182  -3.505
  178    HA2  GLY  22           HA3      GLY  22   4.044  -4.780  -5.399
  179    HA3  GLY  22           HA2      GLY  22   5.197  -6.122  -5.346
  180    H    ILE  23           H        ILE  23   2.067  -4.978  -4.045
  181    HA   ILE  23           HA       ILE  23   2.244  -7.225  -2.198
  182    HB   ILE  23           HB       ILE  23   0.183  -6.430  -1.295
  183   HG12  ILE  23          HG12      ILE  23  -0.072  -4.648  -3.745
  184   HG13  ILE  23          HG13      ILE  23  -0.981  -6.137  -3.509
  185   HG21  ILE  23          HG21      ILE  23   0.693  -4.038  -0.940
  186   HG22  ILE  23          HG22      ILE  23   2.137  -5.044  -0.817
  187   HG23  ILE  23          HG23      ILE  23   1.844  -4.098  -2.276
  188   HD11  ILE  23          HD11      ILE  23  -2.309  -4.165  -2.987
  189   HD12  ILE  23          HD12      ILE  23  -2.067  -5.175  -1.561
  190   HD13  ILE  23          HD13      ILE  23  -1.132  -3.693  -1.760
  191    H    ILE  24           H        ILE  24  -0.343  -8.238  -2.100
  192    HA   ILE  24           HA       ILE  24  -1.015  -9.077  -4.843
  193    HB   ILE  24           HB       ILE  24  -1.778 -10.537  -2.299
  194   HG12  ILE  24          HG12      ILE  24   0.651 -10.746  -2.937
  195   HG13  ILE  24          HG13      ILE  24  -0.240 -12.264  -2.924
  196   HG21  ILE  24          HG21      ILE  24  -3.449 -10.744  -4.057
  197   HG22  ILE  24          HG22      ILE  24  -2.204 -11.230  -5.209
  198   HG23  ILE  24          HG23      ILE  24  -2.598 -12.273  -3.842
  199   HD11  ILE  24          HD11      ILE  24  -0.446 -12.152  -5.353
  200   HD12  ILE  24          HD12      ILE  24   0.473 -10.648  -5.355
  201   HD13  ILE  24          HD13      ILE  24   1.237 -12.147  -4.827
  202    H    GLN  25           H        GLN  25  -2.539  -8.812  -1.691
  203    HA   GLN  25           HA       GLN  25  -4.764  -7.360  -2.797
  204    HB2  GLN  25           HB2      GLN  25  -6.236  -9.218  -1.708
  205    HB3  GLN  25           HB3      GLN  25  -5.641  -9.406  -3.346
  206    HG2  GLN  25           HG2      GLN  25  -4.996 -11.416  -2.677
  207    HG3  GLN  25           HG3      GLN  25  -3.653 -10.569  -1.917
  208   HE21  GLN  25          HE21      GLN  25  -5.396  -9.360   0.093
  209   HE22  GLN  25          HE22      GLN  25  -5.685 -10.623   1.222
  210    H    ALA  26           H        ALA  26  -6.101  -6.585  -1.406
  211    HA   ALA  26           HA       ALA  26  -5.314  -6.534   1.414
  212    HB1  ALA  26           HB1      ALA  26  -5.603  -4.345   0.339
  213    HB2  ALA  26           HB2      ALA  26  -7.237  -4.794  -0.153
  214    HB3  ALA  26           HB3      ALA  26  -6.851  -4.606   1.557
  215    H    ALA  27           H        ALA  27  -6.900  -7.109   2.954
  216    HA   ALA  27           HA       ALA  27  -9.121  -8.628   1.804
  217    HB1  ALA  27           HB1      ALA  27  -7.255 -10.096   2.368
  218    HB2  ALA  27           HB2      ALA  27  -7.375  -9.568   4.047
  219    HB3  ALA  27           HB3      ALA  27  -8.708 -10.450   3.300
  220    H    GLU  28           H        GLU  28 -11.077  -8.015   2.571
  221    HA   GLU  28           HA       GLU  28 -12.720  -7.978   4.166
  222    HB2  GLU  28           HB2      GLU  28 -10.485  -8.726   6.068
  223    HB3  GLU  28           HB3      GLU  28 -12.198  -8.748   6.462
  224    HG2  GLU  28           HG2      GLU  28 -12.614 -10.549   5.008
  225    HG3  GLU  28           HG3      GLU  28 -11.042 -10.379   4.227
  226    H    LEU  29           H        LEU  29 -11.746  -5.618   3.392
  227    HA   LEU  29           HA       LEU  29 -11.319  -4.012   5.804
  228    HB2  LEU  29           HB2      LEU  29 -11.550  -2.722   3.137
  229    HB3  LEU  29           HB3      LEU  29 -10.482  -2.372   4.496
  230    HG   LEU  29           HG       LEU  29 -10.097  -4.792   2.729
  231   HD11  LEU  29          HD11      LEU  29  -8.367  -3.534   1.567
  232   HD12  LEU  29          HD12      LEU  29  -9.955  -2.800   1.339
  233   HD13  LEU  29          HD13      LEU  29  -8.808  -2.083   2.471
  234   HD21  LEU  29          HD21      LEU  29  -9.032  -4.863   4.934
  235   HD22  LEU  29          HD22      LEU  29  -7.841  -4.747   3.637
  236   HD23  LEU  29          HD23      LEU  29  -8.241  -3.323   4.599
  237    HA   PRO  30           HA       PRO  30 -15.533  -2.772   6.171
  238    HB2  PRO  30           HB2      PRO  30 -15.526  -0.111   6.611
  239    HB3  PRO  30           HB3      PRO  30 -14.891  -1.269   7.787
  240    HG2  PRO  30           HG2      PRO  30 -13.418   0.410   5.792
  241    HG3  PRO  30           HG3      PRO  30 -13.033   0.106   7.496
  242    HD2  PRO  30           HD2      PRO  30 -11.814  -1.203   5.453
  243    HD3  PRO  30           HD3      PRO  30 -12.080  -1.940   7.045
  244    H    ALA  31           H        ALA  31 -17.331  -2.190   5.001
  245    HA   ALA  31           HA       ALA  31 -16.976  -1.449   2.265
  246    HB1  ALA  31           HB1      ALA  31 -19.497  -1.891   3.854
  247    HB2  ALA  31           HB2      ALA  31 -19.369  -1.838   2.096
  248    HB3  ALA  31           HB3      ALA  31 -18.589  -3.137   2.998
  249    H    LEU  32           H        LEU  32 -17.044   0.532   1.395
  250    HA   LEU  32           HA       LEU  32 -18.507   2.669   2.819
  251    HB2  LEU  32           HB2      LEU  32 -16.065   2.771   1.092
  252    HB3  LEU  32           HB3      LEU  32 -17.092   4.179   1.301
  253    HG   LEU  32           HG       LEU  32 -15.240   4.318   2.817
  254   HD11  LEU  32          HD11      LEU  32 -17.872   3.639   4.095
  255   HD12  LEU  32          HD12      LEU  32 -16.506   4.304   4.997
  256   HD13  LEU  32          HD13      LEU  32 -17.229   5.237   3.682
  257   HD21  LEU  32          HD21      LEU  32 -14.917   2.617   4.588
  258   HD22  LEU  32          HD22      LEU  32 -16.118   1.601   3.784
  259   HD23  LEU  32          HD23      LEU  32 -14.606   1.999   2.965
  260    H    ASP  33           H        ASP  33 -19.811   0.922   1.238
  261    HA   ASP  33           HA       ASP  33 -20.682   2.574  -0.977
  262    HB2  ASP  33           HB2      ASP  33 -19.275   1.371  -2.319
  263    HB3  ASP  33           HB3      ASP  33 -19.235  -0.004  -1.227
  264    H    MET  34           H        MET  34 -22.700   1.983  -1.799
  265    HA   MET  34           HA       MET  34 -24.433   0.952   0.271
  266    HB2  MET  34           HB2      MET  34 -25.104   2.105  -2.444
  267    HB3  MET  34           HB3      MET  34 -26.270   1.720  -1.184
  268    HG2  MET  34           HG2      MET  34 -25.188   3.368   0.288
  269    HG3  MET  34           HG3      MET  34 -24.078   3.778  -1.018
  270    HE1  MET  34           HE1      MET  34 -28.629   4.530  -1.168
  271    HE2  MET  34           HE2      MET  34 -27.917   2.920  -1.251
  272    HE3  MET  34           HE3      MET  34 -27.794   3.864   0.235
  273    H    GLY  35           H        GLY  35 -23.158  -1.109  -0.196
  274    HA2  GLY  35           HA3      GLY  35 -25.041  -2.993  -1.213
  275    HA3  GLY  35           HA2      GLY  35 -23.630  -2.857  -2.261
  276    H    GLY  36           H        GLY  36 -23.167  -2.156   1.027
  277    HA2  GLY  36           HA3      GLY  36 -21.800  -3.065   2.615
  278    HA3  GLY  36           HA2      GLY  36 -22.621  -4.576   2.235
  279    H    THR  37           H        THR  37 -20.657  -2.705   0.076
  280    HA   THR  37           HA       THR  37 -18.338  -4.400   0.493
  281    HB   THR  37           HB       THR  37 -17.954  -4.355  -2.036
  282    HG1  THR  37           HG1      THR  37 -19.816  -2.881  -2.320
  283   HG21  THR  37          HG21      THR  37 -18.467  -6.429  -0.873
  284   HG22  THR  37          HG22      THR  37 -19.277  -6.388  -2.439
  285   HG23  THR  37          HG23      THR  37 -20.192  -6.075  -0.965
  286    H    SER  38           H        SER  38 -16.495  -3.253  -0.845
  287    HA   SER  38           HA       SER  38 -16.995  -0.377  -0.800
  288    HB2  SER  38           HB2      SER  38 -14.998   0.021   0.357
  289    HB3  SER  38           HB3      SER  38 -15.698  -1.372   1.177
  290    HG   SER  38           HG       SER  38 -13.382  -1.134  -0.237
  291    H    ASP  39           H        ASP  39 -15.267   0.813  -2.131
  292    HA   ASP  39           HA       ASP  39 -14.338  -0.831  -4.380
  293    HB2  ASP  39           HB2      ASP  39 -14.905   2.150  -4.284
  294    HB3  ASP  39           HB3      ASP  39 -14.251   1.298  -5.674
  295    HA   PRO  40           HA       PRO  40 -10.717   0.375  -1.614
  296    HB2  PRO  40           HB2      PRO  40  -9.366  -1.921  -2.554
  297    HB3  PRO  40           HB3      PRO  40 -10.112  -1.681  -0.974
  298    HG2  PRO  40           HG2      PRO  40 -11.149  -3.114  -3.342
  299    HG3  PRO  40           HG3      PRO  40 -11.508  -3.344  -1.629
  300    HD2  PRO  40           HD2      PRO  40 -13.232  -2.221  -3.351
  301    HD3  PRO  40           HD3      PRO  40 -13.150  -1.800  -1.622
  302    H    TYR  41           H        TYR  41  -8.780   1.124  -2.063
  303    HA   TYR  41           HA       TYR  41  -7.408   0.930  -4.538
  304    HB2  TYR  41           HB2      TYR  41  -8.306   2.682  -5.666
  305    HB3  TYR  41           HB3      TYR  41  -9.428   2.964  -4.342
  306    HD1  TYR  41           HD2      TYR  41  -5.758   3.622  -4.929
  307    HD2  TYR  41           HD1      TYR  41  -9.534   5.141  -3.679
  308    HE1  TYR  41           HE2      TYR  41  -4.719   5.797  -4.458
  309    HE2  TYR  41           HE1      TYR  41  -8.507   7.329  -3.239
  310    HH   TYR  41           HH       TYR  41  -5.463   8.196  -4.362
  311    H    VAL  42           H        VAL  42  -5.239   1.382  -4.061
  312    HA   VAL  42           HA       VAL  42  -4.833   2.218  -1.282
  313    HB   VAL  42           HB       VAL  42  -2.791   0.861  -3.041
  314   HG11  VAL  42          HG11      VAL  42  -1.878   2.110  -1.158
  315   HG12  VAL  42          HG12      VAL  42  -2.946   1.244  -0.054
  316   HG13  VAL  42          HG13      VAL  42  -1.679   0.375  -0.921
  317   HG21  VAL  42          HG21      VAL  42  -4.694  -0.628  -2.783
  318   HG22  VAL  42          HG22      VAL  42  -3.334  -1.206  -1.822
  319   HG23  VAL  42          HG23      VAL  42  -4.679  -0.377  -1.037
  320    H    LYS  43           H        LYS  43  -4.312   4.240  -0.988
  321    HA   LYS  43           HA       LYS  43  -2.850   5.808  -2.942
  322    HB2  LYS  43           HB2      LYS  43  -3.025   6.693  -0.108
  323    HB3  LYS  43           HB3      LYS  43  -3.178   7.634  -1.576
  324    HG2  LYS  43           HG2      LYS  43  -5.410   7.396  -1.653
  325    HG3  LYS  43           HG3      LYS  43  -5.378   5.765  -0.975
  326    HD2  LYS  43           HD2      LYS  43  -6.352   7.248   0.651
  327    HD3  LYS  43           HD3      LYS  43  -4.758   6.730   1.205
  328    HE2  LYS  43           HE2      LYS  43  -3.816   8.857   0.359
  329    HE3  LYS  43           HE3      LYS  43  -5.447   9.379  -0.060
  330    HZ1  LYS  43           HZ1      LYS  43  -4.555   8.672   2.695
  331    HZ2  LYS  43           HZ2      LYS  43  -6.064   9.301   2.251
  332    HZ3  LYS  43           HZ3      LYS  43  -4.676  10.251   2.091
  333    H    VAL  44           H        VAL  44  -0.766   5.233  -3.139
  334    HA   VAL  44           HA       VAL  44   0.614   4.279  -0.736
  335    HB   VAL  44           HB       VAL  44   1.339   3.949  -3.651
  336   HG11  VAL  44          HG11      VAL  44   2.691   2.842  -1.190
  337   HG12  VAL  44          HG12      VAL  44   3.107   2.461  -2.861
  338   HG13  VAL  44          HG13      VAL  44   3.335   4.099  -2.248
  339   HG21  VAL  44          HG21      VAL  44  -0.596   2.637  -2.927
  340   HG22  VAL  44          HG22      VAL  44   0.790   1.609  -3.286
  341   HG23  VAL  44          HG23      VAL  44   0.360   1.955  -1.612
  342    H    PHE  45           H        PHE  45   1.858   5.716   0.288
  343    HA   PHE  45           HA       PHE  45   3.357   7.596  -1.361
  344    HB2  PHE  45           HB2      PHE  45   2.037   8.355   1.247
  345    HB3  PHE  45           HB3      PHE  45   2.823   9.419   0.095
  346    HD1  PHE  45           HD2      PHE  45   1.594   8.902  -2.434
  347    HD2  PHE  45           HD1      PHE  45  -0.171   8.852   1.438
  348    HE1  PHE  45           HE2      PHE  45  -0.593   9.430  -3.427
  349    HE2  PHE  45           HE1      PHE  45  -2.359   9.381   0.451
  350    HZ   PHE  45           HZ       PHE  45  -2.572   9.676  -1.984
  351    H    LEU  46           H        LEU  46   4.872   8.682   0.025
  352    HA   LEU  46           HA       LEU  46   6.045   7.093   2.132
  353    HB2  LEU  46           HB2      LEU  46   7.289   8.173  -0.335
  354    HB3  LEU  46           HB3      LEU  46   8.227   8.258   1.148
  355    HG   LEU  46           HG       LEU  46   7.875   5.841   1.444
  356   HD11  LEU  46          HD11      LEU  46   7.233   4.475  -0.481
  357   HD12  LEU  46          HD12      LEU  46   5.913   5.457   0.155
  358   HD13  LEU  46          HD13      LEU  46   6.747   5.949  -1.318
  359   HD21  LEU  46          HD21      LEU  46   9.948   6.672   0.565
  360   HD22  LEU  46          HD22      LEU  46   9.524   5.158  -0.236
  361   HD23  LEU  46          HD23      LEU  46   9.271   6.695  -1.064
  362    H    LEU  47           H        LEU  47   6.829   8.217   3.883
  363    HA   LEU  47           HA       LEU  47   6.036  11.004   4.033
  364    HB2  LEU  47           HB2      LEU  47   7.185   9.124   6.097
  365    HB3  LEU  47           HB3      LEU  47   6.664  10.771   6.423
  366    HG   LEU  47           HG       LEU  47   4.879   8.621   5.322
  367   HD11  LEU  47          HD11      LEU  47   5.107   9.680   8.148
  368   HD12  LEU  47          HD12      LEU  47   3.886   8.546   7.573
  369   HD13  LEU  47          HD13      LEU  47   5.584   8.071   7.608
  370   HD21  LEU  47          HD21      LEU  47   3.084  10.194   5.950
  371   HD22  LEU  47          HD22      LEU  47   4.309  11.381   6.399
  372   HD23  LEU  47          HD23      LEU  47   4.167  10.850   4.722
  373    HA   PRO  48           HA       PRO  48   8.699  14.086   3.914
  374    HB2  PRO  48           HB2      PRO  48  10.907  12.550   5.236
  375    HB3  PRO  48           HB3      PRO  48  10.663  14.304   5.166
  376    HG2  PRO  48           HG2      PRO  48   9.640  12.620   7.156
  377    HG3  PRO  48           HG3      PRO  48   9.062  14.257   6.801
  378    HD2  PRO  48           HD2      PRO  48   7.542  11.914   6.523
  379    HD3  PRO  48           HD3      PRO  48   7.176  13.465   5.728
  380    H    ASP  49           H        ASP  49   9.530  10.975   2.624
  381    HA   ASP  49           HA       ASP  49  11.192  12.170   0.576
  382    HB2  ASP  49           HB2      ASP  49  11.747   9.921   1.026
  383    HB3  ASP  49           HB3      ASP  49  10.062   9.424   1.078
  384    H    LYS  50           H        LYS  50   8.269  10.140   0.212
  385    HA   LYS  50           HA       LYS  50   6.393  10.356  -0.898
  386    HB2  LYS  50           HB2      LYS  50   6.608  12.635   0.588
  387    HB3  LYS  50           HB3      LYS  50   6.406  13.293  -1.037
  388    HG2  LYS  50           HG2      LYS  50   4.554  11.440   0.457
  389    HG3  LYS  50           HG3      LYS  50   4.227  13.078  -0.166
  390    HD2  LYS  50           HD2      LYS  50   4.607  12.205  -2.449
  391    HD3  LYS  50           HD3      LYS  50   4.811  10.588  -1.732
  392    HE2  LYS  50           HE2      LYS  50   2.520  11.053  -2.661
  393    HE3  LYS  50           HE3      LYS  50   2.539  10.605  -0.956
  394    HZ1  LYS  50           HZ1      LYS  50   2.363  13.388  -1.991
  395    HZ2  LYS  50           HZ2      LYS  50   2.321  12.926  -0.359
  396    HZ3  LYS  50           HZ3      LYS  50   1.058  12.480  -1.394
  397    H    LYS  51           H        LYS  51   8.586   9.840  -2.372
  398    HA   LYS  51           HA       LYS  51   8.307  11.449  -4.804
  399    HB2  LYS  51           HB2      LYS  51   9.959   9.180  -3.822
  400    HB3  LYS  51           HB3      LYS  51   9.835   9.420  -5.570
  401    HG2  LYS  51           HG2      LYS  51  10.736  11.678  -5.311
  402    HG3  LYS  51           HG3      LYS  51  10.809  11.448  -3.562
  403    HD2  LYS  51           HD2      LYS  51  12.336   9.517  -3.948
  404    HD3  LYS  51           HD3      LYS  51  12.352   9.931  -5.663
  405    HE2  LYS  51           HE2      LYS  51  13.191  11.792  -3.444
  406    HE3  LYS  51           HE3      LYS  51  14.303  10.803  -4.386
  407    HZ1  LYS  51           HZ1      LYS  51  12.490  12.861  -5.535
  408    HZ2  LYS  51           HZ2      LYS  51  13.669  11.972  -6.371
  409    HZ3  LYS  51           HZ3      LYS  51  14.132  13.102  -5.191
  410    H    LYS  52           H        LYS  52   5.876  10.280  -3.915
  411    HA   LYS  52           HA       LYS  52   5.458   8.022  -5.729
  412    HB2  LYS  52           HB2      LYS  52   4.515   7.879  -2.882
  413    HB3  LYS  52           HB3      LYS  52   4.642   6.585  -4.060
  414    HG2  LYS  52           HG2      LYS  52   7.013   8.015  -2.912
  415    HG3  LYS  52           HG3      LYS  52   6.327   6.543  -2.226
  416    HD2  LYS  52           HD2      LYS  52   6.775   5.337  -4.261
  417    HD3  LYS  52           HD3      LYS  52   7.337   6.814  -5.050
  418    HE2  LYS  52           HE2      LYS  52   8.618   5.405  -2.709
  419    HE3  LYS  52           HE3      LYS  52   9.235   5.513  -4.354
  420    HZ1  LYS  52           HZ1      LYS  52   9.183   8.007  -3.971
  421    HZ2  LYS  52           HZ2      LYS  52  10.404   7.132  -3.211
  422    HZ3  LYS  52           HZ3      LYS  52   9.062   7.653  -2.321
  423    H    LYS  53           H        LYS  53   3.900   9.750  -6.859
  424    HA   LYS  53           HA       LYS  53   1.362   9.370  -5.517
  425    HB2  LYS  53           HB2      LYS  53   1.283  11.259  -6.930
  426    HB3  LYS  53           HB3      LYS  53   2.097  10.416  -8.248
  427    HG2  LYS  53           HG2      LYS  53   0.195   9.069  -8.663
  428    HG3  LYS  53           HG3      LYS  53  -0.621   9.658  -7.219
  429    HD2  LYS  53           HD2      LYS  53   0.075  11.882  -8.871
  430    HD3  LYS  53           HD3      LYS  53  -0.767  10.676  -9.851
  431    HE2  LYS  53           HE2      LYS  53  -2.477  10.567  -7.979
  432    HE3  LYS  53           HE3      LYS  53  -1.702  12.010  -7.328
  433    HZ1  LYS  53           HZ1      LYS  53  -2.847  11.812 -10.059
  434    HZ2  LYS  53           HZ2      LYS  53  -2.241  13.208  -9.321
  435    HZ3  LYS  53           HZ3      LYS  53  -3.659  12.486  -8.736
  436    H    PHE  54           H        PHE  54   1.221   7.156  -5.170
  437    HA   PHE  54           HA       PHE  54   0.981   5.625  -7.652
  438    HB2  PHE  54           HB2      PHE  54   1.772   4.762  -4.900
  439    HB3  PHE  54           HB3      PHE  54   1.084   3.599  -6.035
  440    HD1  PHE  54           HD1      PHE  54   3.923   5.823  -5.360
  441    HD2  PHE  54           HD2      PHE  54   2.294   2.893  -7.979
  442    HE1  PHE  54           HE1      PHE  54   6.110   5.596  -6.462
  443    HE2  PHE  54           HE2      PHE  54   4.479   2.652  -9.081
  444    HZ   PHE  54           HZ       PHE  54   6.392   4.007  -8.325
  445    H    GLU  55           H        GLU  55  -0.776   4.146  -7.860
  446    HA   GLU  55           HA       GLU  55  -3.026   4.474  -6.082
  447    HB2  GLU  55           HB2      GLU  55  -3.096   6.472  -7.576
  448    HB3  GLU  55           HB3      GLU  55  -3.213   5.393  -8.957
  449    HG2  GLU  55           HG2      GLU  55  -5.331   4.535  -8.127
  450    HG3  GLU  55           HG3      GLU  55  -5.210   5.589  -6.717
  451    H    THR  56           H        THR  56  -3.692   2.415  -5.875
  452    HA   THR  56           HA       THR  56  -3.503   0.391  -7.807
  453    HB   THR  56           HB       THR  56  -5.760   0.475  -5.843
  454    HG1  THR  56           HG1      THR  56  -4.361   0.119  -4.135
  455   HG21  THR  56          HG21      THR  56  -5.129  -1.856  -5.469
  456   HG22  THR  56          HG22      THR  56  -3.758  -1.666  -6.563
  457   HG23  THR  56          HG23      THR  56  -5.405  -1.539  -7.182
  458    H    LYS  57           H        LYS  57  -5.072  -0.393  -9.263
  459    HA   LYS  57           HA       LYS  57  -7.081   1.296 -10.283
  460    HB2  LYS  57           HB2      LYS  57  -6.167  -0.684 -11.469
  461    HB3  LYS  57           HB3      LYS  57  -6.968  -1.728 -10.306
  462    HG2  LYS  57           HG2      LYS  57  -9.143  -0.909 -11.068
  463    HG3  LYS  57           HG3      LYS  57  -8.332   0.132 -12.243
  464    HD2  LYS  57           HD2      LYS  57  -7.310  -1.881 -13.257
  465    HD3  LYS  57           HD3      LYS  57  -8.234  -2.881 -12.133
  466    HE2  LYS  57           HE2      LYS  57 -10.314  -2.081 -13.071
  467    HE3  LYS  57           HE3      LYS  57  -9.444  -0.964 -14.122
  468    HZ1  LYS  57           HZ1      LYS  57  -9.920  -2.763 -15.484
  469    HZ2  LYS  57           HZ2      LYS  57  -9.587  -3.908 -14.283
  470    HZ3  LYS  57           HZ3      LYS  57  -8.316  -3.060 -15.016
  471    H    VAL  58           H        VAL  58  -9.333   1.357  -9.860
  472    HA   VAL  58           HA       VAL  58  -9.921   0.923  -7.076
  473    HB   VAL  58           HB       VAL  58 -11.785   1.900  -9.253
  474   HG11  VAL  58          HG11      VAL  58 -12.942   1.144  -7.254
  475   HG12  VAL  58          HG12      VAL  58 -11.910   2.166  -6.252
  476   HG13  VAL  58          HG13      VAL  58 -13.034   2.899  -7.396
  477   HG21  VAL  58          HG21      VAL  58 -10.016   3.481  -7.385
  478   HG22  VAL  58          HG22      VAL  58  -9.814   3.323  -9.129
  479   HG23  VAL  58          HG23      VAL  58 -11.222   4.163  -8.479
  480    H    HIS  59           H        HIS  59 -11.046  -0.677  -6.194
  481    HA   HIS  59           HA       HIS  59 -11.664  -2.934  -7.975
  482    HB2  HIS  59           HB2      HIS  59 -11.261  -2.911  -4.975
  483    HB3  HIS  59           HB3      HIS  59 -11.378  -4.334  -6.011
  484    HD1  HIS  59           HD1      HIS  59  -8.927  -2.827  -4.187
  485    HD2  HIS  59           HD2      HIS  59  -9.128  -3.799  -8.219
  486    HE1  HIS  59           HE1      HIS  59  -6.543  -2.967  -4.961
  487    HE2  HIS  59           HE2      HIS  59  -6.700  -3.303  -7.454
  488    H    ARG  60           H        ARG  60 -13.779  -2.556  -8.561
  489    HA   ARG  60           HA       ARG  60 -15.564  -1.264  -6.775
  490    HB2  ARG  60           HB2      ARG  60 -16.075  -2.637  -9.412
  491    HB3  ARG  60           HB3      ARG  60 -17.249  -1.647  -8.550
  492    HG2  ARG  60           HG2      ARG  60 -14.593  -0.713  -9.606
  493    HG3  ARG  60           HG3      ARG  60 -16.168  -0.405 -10.341
  494    HD2  ARG  60           HD2      ARG  60 -16.864   0.802  -8.333
  495    HD3  ARG  60           HD3      ARG  60 -15.292   0.488  -7.596
  496    HE   ARG  60           HE       ARG  60 -14.614   1.748  -9.879
  497   HH11  ARG  60          HH12      ARG  60 -16.856   2.527  -7.285
  498   HH12  ARG  60          HH11      ARG  60 -16.804   4.235  -7.592
  499   HH21  ARG  60          HH22      ARG  60 -14.521   4.008 -10.252
  500   HH22  ARG  60          HH21      ARG  60 -15.471   5.077  -9.269
  501    H    LYS  61           H        LYS  61 -16.505  -2.152  -5.150
  502    HA   LYS  61           HA       LYS  61 -18.125  -3.273  -4.064
  503    HB2  LYS  61           HB2      LYS  61 -18.539  -4.841  -6.619
  504    HB3  LYS  61           HB3      LYS  61 -19.664  -4.695  -5.275
  505    HG2  LYS  61           HG2      LYS  61 -18.755  -2.372  -6.955
  506    HG3  LYS  61           HG3      LYS  61 -20.224  -3.301  -7.263
  507    HD2  LYS  61           HD2      LYS  61 -21.233  -2.569  -5.282
  508    HD3  LYS  61           HD3      LYS  61 -19.699  -2.031  -4.596
  509    HE2  LYS  61           HE2      LYS  61 -20.858  -0.796  -7.075
  510    HE3  LYS  61           HE3      LYS  61 -21.298  -0.237  -5.462
  511    HZ1  LYS  61           HZ1      LYS  61 -19.168   0.521  -5.052
  512    HZ2  LYS  61           HZ2      LYS  61 -19.365   0.909  -6.690
  513    HZ3  LYS  61           HZ3      LYS  61 -18.459  -0.445  -6.241
  514    H    THR  62           H        THR  62 -15.590  -4.017  -3.483
  515    HA   THR  62           HA       THR  62 -16.039  -6.771  -2.781
  516    HB   THR  62           HB       THR  62 -14.372  -7.787  -3.913
  517    HG1  THR  62           HG1      THR  62 -12.959  -5.439  -3.343
  518   HG21  THR  62          HG21      THR  62 -15.511  -6.708  -5.782
  519   HG22  THR  62          HG22      THR  62 -13.791  -6.914  -6.109
  520   HG23  THR  62          HG23      THR  62 -14.417  -5.332  -5.647
  521    H    LEU  63           H        LEU  63 -15.481  -6.863  -0.691
  522    HA   LEU  63           HA       LEU  63 -13.736  -4.788   0.348
  523    HB2  LEU  63           HB2      LEU  63 -15.390  -6.909   1.653
  524    HB3  LEU  63           HB3      LEU  63 -14.178  -5.991   2.512
  525    HG   LEU  63           HG       LEU  63 -16.538  -4.809   1.061
  526   HD11  LEU  63          HD11      LEU  63 -17.275  -6.053   3.008
  527   HD12  LEU  63          HD12      LEU  63 -16.074  -5.235   4.009
  528   HD13  LEU  63          HD13      LEU  63 -17.405  -4.319   3.306
  529   HD21  LEU  63          HD21      LEU  63 -14.556  -3.365   1.143
  530   HD22  LEU  63          HD22      LEU  63 -15.872  -2.733   2.132
  531   HD23  LEU  63          HD23      LEU  63 -14.506  -3.544   2.895
  532    H    ASN  64           H        ASN  64 -13.246  -7.671  -1.063
  533    HA   ASN  64           HA       ASN  64 -10.707  -8.004   0.311
  534    HB2  ASN  64           HB2      ASN  64 -12.645  -9.641   1.067
  535    HB3  ASN  64           HB3      ASN  64 -12.212 -10.476  -0.422
  536   HD21  ASN  64          HD21      ASN  64  -9.411  -9.834  -0.314
  537   HD22  ASN  64          HD22      ASN  64  -8.743 -10.805   0.948
  538    HA   PRO  65           HA       PRO  65 -10.422  -8.074  -4.250
  539    HB2  PRO  65           HB2      PRO  65  -8.966  -5.662  -4.237
  540    HB3  PRO  65           HB3      PRO  65 -10.690  -5.843  -4.570
  541    HG2  PRO  65           HG2      PRO  65  -9.560  -4.558  -2.357
  542    HG3  PRO  65           HG3      PRO  65 -11.235  -5.008  -2.554
  543    HD2  PRO  65           HD2      PRO  65  -9.046  -6.366  -1.086
  544    HD3  PRO  65           HD3      PRO  65 -10.773  -6.237  -0.681
  545    H    VAL  66           H        VAL  66  -8.714  -8.648  -5.480
  546    HA   VAL  66           HA       VAL  66  -6.054  -8.444  -4.264
  547    HB   VAL  66           HB       VAL  66  -5.478 -10.592  -4.487
  548   HG11  VAL  66          HG11      VAL  66  -7.459 -10.782  -3.162
  549   HG12  VAL  66          HG12      VAL  66  -8.477 -10.898  -4.598
  550   HG13  VAL  66          HG13      VAL  66  -7.348 -12.196  -4.210
  551   HG21  VAL  66          HG21      VAL  66  -7.216 -10.880  -6.944
  552   HG22  VAL  66          HG22      VAL  66  -5.466 -10.668  -6.904
  553   HG23  VAL  66          HG23      VAL  66  -6.190 -12.147  -6.271
  554    H    PHE  67           H        PHE  67  -4.889  -7.107  -5.430
  555    HA   PHE  67           HA       PHE  67  -5.494  -7.006  -8.245
  556    HB2  PHE  67           HB2      PHE  67  -5.236  -4.867  -6.857
  557    HB3  PHE  67           HB3      PHE  67  -3.500  -5.139  -7.059
  558    HD1  PHE  67           HD1      PHE  67  -2.544  -5.298  -9.364
  559    HD2  PHE  67           HD2      PHE  67  -6.555  -4.091  -8.656
  560    HE1  PHE  67           HE1      PHE  67  -2.673  -4.417 -11.654
  561    HE2  PHE  67           HE2      PHE  67  -6.690  -3.199 -10.941
  562    HZ   PHE  67           HZ       PHE  67  -4.752  -3.363 -12.447
  563    H    ASN  68           H        ASN  68  -2.729  -7.857  -6.160
  564    HA   ASN  68           HA       ASN  68  -0.560  -8.402  -6.677
  565    HB2  ASN  68           HB2      ASN  68  -1.804  -9.150  -9.343
  566    HB3  ASN  68           HB3      ASN  68  -0.104  -9.389  -8.974
  567   HD21  ASN  68          HD21      ASN  68   0.502 -11.175  -7.990
  568   HD22  ASN  68          HD22      ASN  68  -0.573 -12.382  -7.366
  569    H    GLU  69           H        GLU  69  -0.326  -6.060  -6.460
  570    HA   GLU  69           HA       GLU  69   0.545  -4.787  -8.947
  571    HB2  GLU  69           HB2      GLU  69  -1.917  -4.170  -8.343
  572    HB3  GLU  69           HB3      GLU  69  -1.210  -3.208  -7.048
  573    HG2  GLU  69           HG2      GLU  69  -0.115  -1.784  -8.560
  574    HG3  GLU  69           HG3      GLU  69  -0.389  -2.873  -9.918
  575    H    GLN  70           H        GLN  70   2.566  -4.194  -8.560
  576    HA   GLN  70           HA       GLN  70   3.468  -3.621  -5.915
  577    HB2  GLN  70           HB2      GLN  70   5.636  -3.297  -6.900
  578    HB3  GLN  70           HB3      GLN  70   4.910  -4.729  -7.567
  579    HG2  GLN  70           HG2      GLN  70   5.170  -3.981  -9.618
  580    HG3  GLN  70           HG3      GLN  70   4.281  -2.507  -9.229
  581   HE21  GLN  70          HE21      GLN  70   6.190  -1.809  -7.116
  582   HE22  GLN  70          HE22      GLN  70   7.603  -1.216  -7.920
  583    H    PHE  71           H        PHE  71   3.451  -1.754  -4.971
  584    HA   PHE  71           HA       PHE  71   3.205   0.633  -6.631
  585    HB2  PHE  71           HB2      PHE  71   2.507   0.450  -3.707
  586    HB3  PHE  71           HB3      PHE  71   2.041   1.693  -4.862
  587    HD1  PHE  71           HD1      PHE  71   0.423   1.050  -6.706
  588    HD2  PHE  71           HD2      PHE  71   1.129  -1.345  -3.265
  589    HE1  PHE  71           HE1      PHE  71  -1.712  -0.111  -7.077
  590    HE2  PHE  71           HE2      PHE  71  -0.998  -2.516  -3.632
  591    HZ   PHE  71           HZ       PHE  71  -2.422  -1.900  -5.540
  592    H    THR  72           H        THR  72   5.460   0.745  -6.868
  593    HA   THR  72           HA       THR  72   6.458   2.851  -6.134
  594    HB   THR  72           HB       THR  72   6.407   1.408  -3.520
  595    HG1  THR  72           HG1      THR  72   4.869   2.845  -3.389
  596   HG21  THR  72          HG21      THR  72   8.246   3.701  -4.210
  597   HG22  THR  72          HG22      THR  72   8.739   2.050  -3.830
  598   HG23  THR  72          HG23      THR  72   7.975   3.047  -2.593
  599    H    PHE  73           H        PHE  73   8.036   2.394  -7.664
  600    HA   PHE  73           HA       PHE  73  10.360   1.522  -6.124
  601    HB2  PHE  73           HB2      PHE  73  11.356   1.393  -8.529
  602    HB3  PHE  73           HB3      PHE  73  10.293   0.096  -7.996
  603    HD1  PHE  73           HD1      PHE  73  10.606   3.016 -10.201
  604    HD2  PHE  73           HD2      PHE  73   8.115  -0.207  -8.974
  605    HE1  PHE  73           HE1      PHE  73   9.166   3.384 -12.159
  606    HE2  PHE  73           HE2      PHE  73   6.671   0.160 -10.931
  607    HZ   PHE  73           HZ       PHE  73   7.198   1.957 -12.526
  608    H    LYS  74           H        LYS  74   9.551   4.121  -5.561
  609    HA   LYS  74           HA       LYS  74  11.539   5.540  -7.166
  610    HB2  LYS  74           HB2      LYS  74   9.156   6.734  -5.773
  611    HB3  LYS  74           HB3      LYS  74  10.432   7.684  -6.502
  612    HG2  LYS  74           HG2      LYS  74   8.819   5.727  -8.097
  613    HG3  LYS  74           HG3      LYS  74   8.270   7.383  -7.789
  614    HD2  LYS  74           HD2      LYS  74   9.374   7.381  -9.905
  615    HD3  LYS  74           HD3      LYS  74  10.448   8.179  -8.758
  616    HE2  LYS  74           HE2      LYS  74  11.660   6.005  -8.499
  617    HE3  LYS  74           HE3      LYS  74  10.655   5.360  -9.798
  618    HZ1  LYS  74           HZ1      LYS  74  11.538   7.028 -11.287
  619    HZ2  LYS  74           HZ2      LYS  74  12.798   6.118 -10.607
  620    HZ3  LYS  74           HZ3      LYS  74  12.485   7.686 -10.040
  621    H    VAL  75           H        VAL  75  12.518   4.121  -4.972
  622    HA   VAL  75           HA       VAL  75  13.783   6.416  -3.772
  623    HB   VAL  75           HB       VAL  75  13.585   4.968  -1.514
  624   HG11  VAL  75          HG11      VAL  75  11.931   6.618  -0.801
  625   HG12  VAL  75          HG12      VAL  75  13.199   7.362  -1.774
  626   HG13  VAL  75          HG13      VAL  75  11.618   7.037  -2.484
  627   HG21  VAL  75          HG21      VAL  75  12.052   3.325  -2.472
  628   HG22  VAL  75          HG22      VAL  75  11.246   4.272  -1.221
  629   HG23  VAL  75          HG23      VAL  75  10.937   4.613  -2.925
  630    HA   PRO  76           HA       PRO  76  17.227   3.396  -4.182
  631    HB2  PRO  76           HB2      PRO  76  18.401   5.931  -3.059
  632    HB3  PRO  76           HB3      PRO  76  19.119   4.768  -4.195
  633    HG2  PRO  76           HG2      PRO  76  18.125   6.875  -5.280
  634    HG3  PRO  76           HG3      PRO  76  17.516   5.291  -5.880
  635    HD2  PRO  76           HD2      PRO  76  16.241   7.101  -3.795
  636    HD3  PRO  76           HD3      PRO  76  15.519   6.483  -5.303
  637    H    TYR  77           H        TYR  77  18.681   2.563  -2.599
  638    HA   TYR  77           HA       TYR  77  17.243   2.095  -0.175
  639    HB2  TYR  77           HB2      TYR  77  18.852   0.360   0.268
  640    HB3  TYR  77           HB3      TYR  77  18.358   0.300  -1.427
  641    HD1  TYR  77           HD2      TYR  77  19.960   0.863  -3.198
  642    HD2  TYR  77           HD1      TYR  77  21.113   0.934   0.898
  643    HE1  TYR  77           HE2      TYR  77  22.325   0.888  -3.869
  644    HE2  TYR  77           HE1      TYR  77  23.481   0.957   0.237
  645    HH   TYR  77           HH       TYR  77  24.871   0.349  -1.627
  646    H    SER  78           H        SER  78  20.236   3.791  -1.002
  647    HA   SER  78           HA       SER  78  21.021   4.554   1.563
  648    HB2  SER  78           HB2      SER  78  21.748   6.715   0.242
  649    HB3  SER  78           HB3      SER  78  22.529   5.170  -0.097
  650    HG   SER  78           HG       SER  78  20.624   6.599  -1.622
  651    H    GLU  79           H        GLU  79  18.409   5.568  -0.428
  652    HA   GLU  79           HA       GLU  79  17.704   7.886   1.143
  653    HB2  GLU  79           HB2      GLU  79  16.702   6.641  -1.389
  654    HB3  GLU  79           HB3      GLU  79  15.652   7.737  -0.504
  655    HG2  GLU  79           HG2      GLU  79  17.014   8.742  -2.366
  656    HG3  GLU  79           HG3      GLU  79  17.110   9.551  -0.804
  657    H    LEU  80           H        LEU  80  17.084   4.558   1.023
  658    HA   LEU  80           HA       LEU  80  14.496   4.348   2.042
  659    HB2  LEU  80           HB2      LEU  80  15.470   2.359   1.290
  660    HB3  LEU  80           HB3      LEU  80  16.952   2.633   2.189
  661    HG   LEU  80           HG       LEU  80  15.020   2.374   4.172
  662   HD11  LEU  80          HD11      LEU  80  13.429   1.574   2.497
  663   HD12  LEU  80          HD12      LEU  80  14.562   0.308   2.030
  664   HD13  LEU  80          HD13      LEU  80  13.860   0.309   3.648
  665   HD21  LEU  80          HD21      LEU  80  16.879   0.291   3.034
  666   HD22  LEU  80          HD22      LEU  80  17.312   1.526   4.215
  667   HD23  LEU  80          HD23      LEU  80  16.151   0.269   4.639
  668    H    GLY  81           H        GLY  81  17.604   4.712   3.638
  669    HA2  GLY  81           HA3      GLY  81  16.941   4.395   6.260
  670    HA3  GLY  81           HA2      GLY  81  18.146   5.535   5.679
  671    H    GLY  82           H        GLY  82  16.579   7.450   4.443
  672    HA2  GLY  82           HA3      GLY  82  15.804   8.920   6.741
  673    HA3  GLY  82           HA2      GLY  82  15.628   9.440   5.078
  674    H    LYS  83           H        LYS  83  13.806   7.295   4.247
  675    HA   LYS  83           HA       LYS  83  11.566   8.862   5.252
  676    HB2  LYS  83           HB2      LYS  83  10.377   7.991   3.169
  677    HB3  LYS  83           HB3      LYS  83  11.618   9.215   2.983
  678    HG2  LYS  83           HG2      LYS  83  11.864   7.638   1.235
  679    HG3  LYS  83           HG3      LYS  83  13.207   7.409   2.357
  680    HD2  LYS  83           HD2      LYS  83  12.208   5.471   3.281
  681    HD3  LYS  83           HD3      LYS  83  10.684   5.778   2.443
  682    HE2  LYS  83           HE2      LYS  83  12.325   4.008   1.505
  683    HE3  LYS  83           HE3      LYS  83  11.524   5.127   0.399
  684    HZ1  LYS  83           HZ1      LYS  83  13.464   6.427   0.238
  685    HZ2  LYS  83           HZ2      LYS  83  13.977   4.823   0.059
  686    HZ3  LYS  83           HZ3      LYS  83  14.215   5.632   1.526
  687    H    THR  84           H        THR  84   9.520   7.934   5.644
  688    HA   THR  84           HA       THR  84   9.627   5.056   6.254
  689    HB   THR  84           HB       THR  84   8.045   5.389   8.033
  690    HG1  THR  84           HG1      THR  84   7.094   7.238   6.701
  691   HG21  THR  84          HG21      THR  84   9.241   6.868   9.564
  692   HG22  THR  84          HG22      THR  84  10.095   7.607   8.211
  693   HG23  THR  84          HG23      THR  84  10.385   5.916   8.619
  694    H    LEU  85           H        LEU  85   8.061   3.839   5.243
  695    HA   LEU  85           HA       LEU  85   6.507   5.376   3.277
  696    HB2  LEU  85           HB2      LEU  85   6.566   3.639   1.853
  697    HB3  LEU  85           HB3      LEU  85   7.967   3.196   2.808
  698    HG   LEU  85           HG       LEU  85   5.320   2.118   3.628
  699   HD11  LEU  85          HD11      LEU  85   6.931   1.068   1.305
  700   HD12  LEU  85          HD12      LEU  85   5.572   0.240   2.066
  701   HD13  LEU  85          HD13      LEU  85   5.314   1.766   1.222
  702   HD21  LEU  85          HD21      LEU  85   7.289   1.677   4.971
  703   HD22  LEU  85          HD22      LEU  85   6.702   0.189   4.226
  704   HD23  LEU  85          HD23      LEU  85   8.118   1.008   3.567
  705    H    VAL  86           H        VAL  86   4.462   5.699   3.401
  706    HA   VAL  86           HA       VAL  86   2.843   3.921   5.070
  707    HB   VAL  86           HB       VAL  86   1.314   5.842   5.523
  708   HG11  VAL  86          HG11      VAL  86   2.697   6.830   7.290
  709   HG12  VAL  86          HG12      VAL  86   2.893   5.079   7.209
  710   HG13  VAL  86          HG13      VAL  86   4.138   6.139   6.544
  711   HG21  VAL  86          HG21      VAL  86   1.993   7.324   3.714
  712   HG22  VAL  86          HG22      VAL  86   2.187   8.128   5.273
  713   HG23  VAL  86          HG23      VAL  86   3.597   7.488   4.428
  714    H    MET  87           H        MET  87   1.193   3.072   4.088
  715    HA   MET  87           HA       MET  87   0.452   4.162   1.450
  716    HB2  MET  87           HB2      MET  87   0.617   1.207   2.220
  717    HB3  MET  87           HB3      MET  87   0.124   1.839   0.654
  718    HG2  MET  87           HG2      MET  87   2.396   2.827   0.418
  719    HG3  MET  87           HG3      MET  87   2.855   1.992   1.902
  720    HE1  MET  87           HE1      MET  87   1.080  -0.699   1.527
  721    HE2  MET  87           HE2      MET  87   2.282  -1.773   0.814
  722    HE3  MET  87           HE3      MET  87   2.730  -0.709   2.147
  723    H    ALA  88           H        ALA  88  -1.939   3.729   0.984
  724    HA   ALA  88           HA       ALA  88  -3.456   3.212   3.428
  725    HB1  ALA  88           HB1      ALA  88  -3.415   5.898   2.066
  726    HB2  ALA  88           HB2      ALA  88  -4.743   5.378   3.134
  727    HB3  ALA  88           HB3      ALA  88  -3.087   5.533   3.759
  728    H    VAL  89           H        VAL  89  -4.851   1.723   2.639
  729    HA   VAL  89           HA       VAL  89  -5.870   2.010  -0.027
  730    HB   VAL  89           HB       VAL  89  -7.194   0.261   2.021
  731   HG11  VAL  89          HG11      VAL  89  -7.476  -1.214   0.089
  732   HG12  VAL  89          HG12      VAL  89  -8.127   0.393  -0.233
  733   HG13  VAL  89          HG13      VAL  89  -6.570  -0.079  -0.912
  734   HG21  VAL  89          HG21      VAL  89  -4.829  -0.109   2.390
  735   HG22  VAL  89          HG22      VAL  89  -5.541  -1.496   1.566
  736   HG23  VAL  89          HG23      VAL  89  -4.575  -0.332   0.660
  737    H    TYR  90           H        TYR  90  -7.368   3.418  -0.523
  738    HA   TYR  90           HA       TYR  90  -9.062   4.491   1.615
  739    HB2  TYR  90           HB2      TYR  90  -7.286   5.966   0.238
  740    HB3  TYR  90           HB3      TYR  90  -8.622   6.026  -0.907
  741    HD1  TYR  90           HD1      TYR  90 -10.678   5.844   1.535
  742    HD2  TYR  90           HD2      TYR  90  -7.455   8.418   0.512
  743    HE1  TYR  90           HE1      TYR  90 -11.738   7.663   2.803
  744    HE2  TYR  90           HE2      TYR  90  -8.503  10.240   1.779
  745    HH   TYR  90           HH       TYR  90 -10.977  10.819   2.453
  746    H    ASP  91           H        ASP  91 -11.141   4.394   1.291
  747    HA   ASP  91           HA       ASP  91 -11.985   2.833  -0.998
  748    HB2  ASP  91           HB2      ASP  91 -12.418   2.355   1.515
  749    HB3  ASP  91           HB3      ASP  91 -13.790   3.449   1.265
  750    H    PHE  92           H        PHE  92 -13.270   3.533  -2.553
  751    HA   PHE  92           HA       PHE  92 -14.062   6.307  -2.576
  752    HB2  PHE  92           HB2      PHE  92 -13.269   5.078  -4.619
  753    HB3  PHE  92           HB3      PHE  92 -14.754   4.135  -4.566
  754    HD1  PHE  92           HD2      PHE  92 -13.495   7.620  -4.791
  755    HD2  PHE  92           HD1      PHE  92 -16.667   4.912  -5.638
  756    HE1  PHE  92           HE2      PHE  92 -14.631   9.367  -6.097
  757    HE2  PHE  92           HE1      PHE  92 -17.807   6.653  -6.947
  758    HZ   PHE  92           HZ       PHE  92 -16.792   8.883  -7.178
  759    H    ASP  93           H        ASP  93 -15.903   7.038  -1.712
  760    HA   ASP  93           HA       ASP  93 -17.739   5.069  -0.599
  761    HB2  ASP  93           HB2      ASP  93 -16.579   7.045   0.625
  762    HB3  ASP  93           HB3      ASP  93 -17.808   8.033  -0.144
  763    H    ARG  94           H        ARG  94 -17.560   6.472  -3.432
  764    HA   ARG  94           HA       ARG  94 -18.940   6.866  -5.166
  765    HB2  ARG  94           HB2      ARG  94 -20.980   5.579  -3.361
  766    HB3  ARG  94           HB3      ARG  94 -21.254   5.958  -5.054
  767    HG2  ARG  94           HG2      ARG  94 -19.457   4.457  -5.704
  768    HG3  ARG  94           HG3      ARG  94 -19.127   4.100  -4.008
  769    HD2  ARG  94           HD2      ARG  94 -20.433   2.319  -4.951
  770    HD3  ARG  94           HD3      ARG  94 -21.417   3.205  -3.791
  771    HE   ARG  94           HE       ARG  94 -21.909   4.309  -6.298
  772   HH11  ARG  94          HH12      ARG  94 -22.381   1.243  -4.643
  773   HH12  ARG  94          HH11      ARG  94 -23.756   0.805  -5.626
  774   HH21  ARG  94          HH22      ARG  94 -23.710   3.736  -7.545
  775   HH22  ARG  94          HH21      ARG  94 -24.518   2.225  -7.256
  776    H    PHE  95           H        PHE  95 -20.037   8.206  -2.090
  777    HA   PHE  95           HA       PHE  95 -20.939  10.546  -3.544
  778    HB2  PHE  95           HB2      PHE  95 -22.961   9.185  -3.545
  779    HB3  PHE  95           HB3      PHE  95 -22.852   8.985  -1.800
  780    HD1  PHE  95           HD1      PHE  95 -23.037  11.677  -4.369
  781    HD2  PHE  95           HD2      PHE  95 -24.084  10.382  -0.454
  782    HE1  PHE  95           HE1      PHE  95 -24.384  13.712  -4.060
  783    HE2  PHE  95           HE2      PHE  95 -25.439  12.410  -0.140
  784    HZ   PHE  95           HZ       PHE  95 -25.589  14.080  -1.945
  785    H    SER  96           H        SER  96 -21.355   9.187  -0.257
  786    HA   SER  96           HA       SER  96 -20.960  11.786   0.880
  787    HB2  SER  96           HB2      SER  96 -21.119  10.552   3.070
  788    HB3  SER  96           HB3      SER  96 -22.494  10.317   1.996
  789    HG   SER  96           HG       SER  96 -20.328   8.496   1.951
  790    H    LYS  97           H        LYS  97 -19.384  11.500   3.076
  791    HA   LYS  97           HA       LYS  97 -16.833  11.781   1.930
  792    HB2  LYS  97           HB2      LYS  97 -16.012  12.071   4.207
  793    HB3  LYS  97           HB3      LYS  97 -17.505  12.967   3.977
  794    HG2  LYS  97           HG2      LYS  97 -18.714  11.086   5.080
  795    HG3  LYS  97           HG3      LYS  97 -17.144  10.369   5.445
  796    HD2  LYS  97           HD2      LYS  97 -17.799  11.568   7.382
  797    HD3  LYS  97           HD3      LYS  97 -16.555  12.539   6.591
  798    HE2  LYS  97           HE2      LYS  97 -18.256  13.967   5.610
  799    HE3  LYS  97           HE3      LYS  97 -19.527  12.967   6.311
  800    HZ1  LYS  97           HZ1      LYS  97 -18.355  13.556   8.526
  801    HZ2  LYS  97           HZ2      LYS  97 -19.382  14.686   7.797
  802    HZ3  LYS  97           HZ3      LYS  97 -17.707  14.858   7.647
  803    H    HIS  98           H        HIS  98 -15.509  10.334   1.297
  804    HA   HIS  98           HA       HIS  98 -15.783   7.583   1.707
  805    HB2  HIS  98           HB2      HIS  98 -13.404   7.571   0.668
  806    HB3  HIS  98           HB3      HIS  98 -14.766   8.108  -0.302
  807    HD1  HIS  98           HD1      HIS  98 -12.584  10.058   2.149
  808    HD2  HIS  98           HD2      HIS  98 -13.769  10.084  -1.835
  809    HE1  HIS  98           HE1      HIS  98 -11.610  12.152   1.165
  810    HE2  HIS  98           HE2      HIS  98 -12.184  12.053  -1.280
  811    H    ASP  99           H        ASP  99 -15.319   6.455   3.350
  812    HA   ASP  99           HA       ASP  99 -13.407   7.272   5.381
  813    HB2  ASP  99           HB2      ASP  99 -15.549   6.314   6.055
  814    HB3  ASP  99           HB3      ASP  99 -15.216   4.853   5.131
  815    H    ILE 100           H        ILE 100 -11.261   6.552   5.462
  816    HA   ILE 100           HA       ILE 100 -10.203   4.744   3.605
  817    HB   ILE 100           HB       ILE 100  -9.208   5.614   6.325
  818   HG12  ILE 100          HG12      ILE 100  -8.368   6.297   3.504
  819   HG13  ILE 100          HG13      ILE 100  -9.167   7.365   4.656
  820   HG21  ILE 100          HG21      ILE 100  -8.347   3.383   5.888
  821   HG22  ILE 100          HG22      ILE 100  -7.762   3.906   4.309
  822   HG23  ILE 100          HG23      ILE 100  -7.060   4.586   5.778
  823   HD11  ILE 100          HD11      ILE 100  -6.393   6.226   4.924
  824   HD12  ILE 100          HD12      ILE 100  -6.807   7.878   4.467
  825   HD13  ILE 100          HD13      ILE 100  -7.188   7.290   6.084
  826    H    ILE 101           H        ILE 101 -10.350   2.655   3.481
  827    HA   ILE 101           HA       ILE 101 -11.672   1.017   5.354
  828    HB   ILE 101           HB       ILE 101 -10.512  -0.766   3.740
  829   HG12  ILE 101          HG12      ILE 101 -10.405   1.850   2.234
  830   HG13  ILE 101          HG13      ILE 101  -9.028   0.843   2.662
  831   HG21  ILE 101          HG21      ILE 101 -12.725   1.100   2.912
  832   HG22  ILE 101          HG22      ILE 101 -12.411  -0.495   2.230
  833   HG23  ILE 101          HG23      ILE 101 -12.898  -0.339   3.916
  834   HD11  ILE 101          HD11      ILE 101  -9.649   0.602   0.320
  835   HD12  ILE 101          HD12      ILE 101  -9.868  -0.913   1.194
  836   HD13  ILE 101          HD13      ILE 101 -11.266   0.083   0.798
  837    H    GLY 102           H        GLY 102  -8.272   1.267   4.307
  838    HA2  GLY 102           HA3      GLY 102  -7.383   1.040   6.997
  839    HA3  GLY 102           HA2      GLY 102  -7.111  -0.469   6.119
  840    H    GLU 103           H        GLU 103  -4.924   0.460   6.938
  841    HA   GLU 103           HA       GLU 103  -3.558   1.923   4.849
  842    HB2  GLU 103           HB2      GLU 103  -4.694   3.690   6.102
  843    HB3  GLU 103           HB3      GLU 103  -4.027   3.079   7.607
  844    HG2  GLU 103           HG2      GLU 103  -1.828   3.696   6.940
  845    HG3  GLU 103           HG3      GLU 103  -2.393   4.185   5.341
  846    H    PHE 104           H        PHE 104  -1.189   2.215   5.544
  847    HA   PHE 104           HA       PHE 104  -0.322  -0.016   7.254
  848    HB2  PHE 104           HB2      PHE 104  -0.683  -0.862   4.951
  849    HB3  PHE 104           HB3      PHE 104   0.436   0.347   4.341
  850    HD1  PHE 104           HD1      PHE 104   0.228  -2.533   6.671
  851    HD2  PHE 104           HD2      PHE 104   2.679  -0.160   4.131
  852    HE1  PHE 104           HE1      PHE 104   2.095  -4.093   7.023
  853    HE2  PHE 104           HE2      PHE 104   4.551  -1.716   4.475
  854    HZ   PHE 104           HZ       PHE 104   4.236  -3.733   5.829
  855    H    LYS 105           H        LYS 105   1.704   0.273   8.106
  856    HA   LYS 105           HA       LYS 105   3.165   2.748   7.467
  857    HB2  LYS 105           HB2      LYS 105   1.824   2.027   9.976
  858    HB3  LYS 105           HB3      LYS 105   3.512   2.460  10.186
  859    HG2  LYS 105           HG2      LYS 105   2.629   4.510  10.425
  860    HG3  LYS 105           HG3      LYS 105   2.739   4.509   8.664
  861    HD2  LYS 105           HD2      LYS 105   0.455   4.027   8.417
  862    HD3  LYS 105           HD3      LYS 105   0.284   3.561  10.114
  863    HE2  LYS 105           HE2      LYS 105   0.946   5.972  10.657
  864    HE3  LYS 105           HE3      LYS 105   0.645   6.309   8.954
  865    HZ1  LYS 105           HZ1      LYS 105  -1.278   6.777  10.390
  866    HZ2  LYS 105           HZ2      LYS 105  -1.359   5.138  10.809
  867    HZ3  LYS 105           HZ3      LYS 105  -1.623   5.619   9.204
  868    H    VAL 106           H        VAL 106   5.202   2.189   6.969
  869    HA   VAL 106           HA       VAL 106   6.637   0.535   8.887
  870    HB   VAL 106           HB       VAL 106   6.627  -0.101   5.928
  871   HG11  VAL 106          HG11      VAL 106   8.550  -1.086   8.039
  872   HG12  VAL 106          HG12      VAL 106   8.464  -1.658   6.373
  873   HG13  VAL 106          HG13      VAL 106   8.946   0.004   6.711
  874   HG21  VAL 106          HG21      VAL 106   4.922  -1.238   7.268
  875   HG22  VAL 106          HG22      VAL 106   6.138  -2.370   6.679
  876   HG23  VAL 106          HG23      VAL 106   6.177  -1.831   8.357
  877    HA   PRO 107           HA       PRO 107   9.411   4.011   8.015
  878    HB2  PRO 107           HB2      PRO 107  11.076   3.325  10.057
  879    HB3  PRO 107           HB3      PRO 107   9.653   4.357  10.271
  880    HG2  PRO 107           HG2      PRO 107   9.908   1.394  10.710
  881    HG3  PRO 107           HG3      PRO 107   9.185   2.614  11.785
  882    HD2  PRO 107           HD2      PRO 107   7.611   1.141  10.255
  883    HD3  PRO 107           HD3      PRO 107   7.338   2.892  10.378
  884    H    MET 108           H        MET 108  10.772   3.713   6.506
  885    HA   MET 108           HA       MET 108  11.828   1.244   5.689
  886    HB2  MET 108           HB2      MET 108  12.517   4.074   4.928
  887    HB3  MET 108           HB3      MET 108  13.239   2.667   4.158
  888    HG2  MET 108           HG2      MET 108  10.425   3.662   4.068
  889    HG3  MET 108           HG3      MET 108  11.548   3.382   2.738
  890    HE1  MET 108           HE1      MET 108  10.587   1.796   1.116
  891    HE2  MET 108           HE2      MET 108   9.429   0.529   1.520
  892    HE3  MET 108           HE3      MET 108   9.036   2.217   1.841
  893    H    ASN 109           H        ASN 109  12.812   3.683   7.862
  894    HA   ASN 109           HA       ASN 109  15.609   3.125   7.825
  895    HB2  ASN 109           HB2      ASN 109  15.228   4.214  10.295
  896    HB3  ASN 109           HB3      ASN 109  15.470   5.144   8.822
  897   HD21  ASN 109          HD21      ASN 109  13.750   6.207   7.884
  898   HD22  ASN 109          HD22      ASN 109  12.253   6.453   8.725
  899    H    THR 110           H        THR 110  12.849   1.687   9.334
  900    HA   THR 110           HA       THR 110  14.510   0.356  11.338
  901    HB   THR 110           HB       THR 110  11.525   0.133  10.897
  902    HG1  THR 110           HG1      THR 110  13.006   2.163  11.857
  903   HG21  THR 110          HG21      THR 110  11.478  -0.688  13.197
  904   HG22  THR 110          HG22      THR 110  13.232  -0.534  13.302
  905   HG23  THR 110          HG23      THR 110  12.514  -1.710  12.200
  906    H    VAL 111           H        VAL 111  12.831  -0.254   8.335
  907    HA   VAL 111           HA       VAL 111  13.518  -3.070   8.493
  908    HB   VAL 111           HB       VAL 111  11.314  -2.604   7.612
  909   HG11  VAL 111          HG11      VAL 111  11.009  -1.478   5.441
  910   HG12  VAL 111          HG12      VAL 111  11.634  -0.401   6.689
  911   HG13  VAL 111          HG13      VAL 111  12.717  -1.041   5.453
  912   HG21  VAL 111          HG21      VAL 111  11.452  -3.845   5.493
  913   HG22  VAL 111          HG22      VAL 111  13.201  -3.619   5.495
  914   HG23  VAL 111          HG23      VAL 111  12.432  -4.568   6.767
  915    H    ASP 112           H        ASP 112  15.538  -3.645   7.931
  916    HA   ASP 112           HA       ASP 112  17.028  -2.030   6.067
  917    HB2  ASP 112           HB2      ASP 112  18.888  -3.428   6.427
  918    HB3  ASP 112           HB3      ASP 112  18.073  -3.386   7.981
  919    H    PHE 113           H        PHE 113  16.742  -2.076   3.957
  920    HA   PHE 113           HA       PHE 113  15.367  -4.365   2.806
  921    HB2  PHE 113           HB2      PHE 113  15.588  -1.540   2.131
  922    HB3  PHE 113           HB3      PHE 113  15.817  -2.588   0.733
  923    HD1  PHE 113           HD1      PHE 113  13.478  -1.695   3.446
  924    HD2  PHE 113           HD2      PHE 113  14.009  -3.764  -0.235
  925    HE1  PHE 113           HE1      PHE 113  11.042  -1.994   3.267
  926    HE2  PHE 113           HE2      PHE 113  11.575  -4.067  -0.420
  927    HZ   PHE 113           HZ       PHE 113  10.087  -3.180   1.332
  928    H    GLY 114           H        GLY 114  17.426  -5.458   3.431
  929    HA2  GLY 114           HA3      GLY 114  19.592  -5.347   1.552
  930    HA3  GLY 114           HA2      GLY 114  19.319  -6.587   2.771
  931    H    HIS 115           H        HIS 115  16.828  -7.457   2.120
  932    HA   HIS 115           HA       HIS 115  17.349  -8.768  -0.458
  933    HB2  HIS 115           HB2      HIS 115  16.047 -10.077   1.943
  934    HB3  HIS 115           HB3      HIS 115  16.593 -10.855   0.462
  935    HD1  HIS 115           HD1      HIS 115  17.967  -9.191   3.577
  936    HD2  HIS 115           HD2      HIS 115  19.206 -11.717   0.507
  937    HE1  HIS 115           HE1      HIS 115  20.257  -9.994   4.239
  938    HE2  HIS 115           HE2      HIS 115  20.929 -11.624   2.442
  939    H    VAL 116           H        VAL 116  14.641 -10.001   1.010
  940    HA   VAL 116           HA       VAL 116  12.856  -8.095  -0.350
  941    HB   VAL 116           HB       VAL 116  11.273 -10.074  -0.583
  942   HG11  VAL 116          HG11      VAL 116  12.503  -9.124  -2.466
  943   HG12  VAL 116          HG12      VAL 116  13.869 -10.178  -2.107
  944   HG13  VAL 116          HG13      VAL 116  12.333 -10.872  -2.624
  945   HG21  VAL 116          HG21      VAL 116  13.804 -11.626  -0.034
  946   HG22  VAL 116          HG22      VAL 116  12.379 -11.573   1.003
  947   HG23  VAL 116          HG23      VAL 116  12.277 -12.304  -0.599
  948    H    THR 117           H        THR 117  11.335  -7.152   0.887
  949    HA   THR 117           HA       THR 117  10.799  -8.249   3.546
  950    HB   THR 117           HB       THR 117   9.866  -5.685   2.236
  951    HG1  THR 117           HG1      THR 117  11.982  -6.478   3.834
  952   HG21  THR 117          HG21      THR 117   8.188  -6.499   3.842
  953   HG22  THR 117          HG22      THR 117   9.020  -5.073   4.460
  954   HG23  THR 117          HG23      THR 117   9.450  -6.670   5.068
  955    H    GLU 118           H        GLU 118   9.509  -9.929   3.426
  956    HA   GLU 118           HA       GLU 118   7.074  -9.750   1.771
  957    HB2  GLU 118           HB2      GLU 118   7.628 -12.395   1.658
  958    HB3  GLU 118           HB3      GLU 118   8.099 -11.243   0.421
  959    HG2  GLU 118           HG2      GLU 118   9.940 -12.712   0.972
  960    HG3  GLU 118           HG3      GLU 118  10.316 -11.053   1.426
  961    H    GLU 119           H        GLU 119   5.317  -9.768   3.134
  962    HA   GLU 119           HA       GLU 119   5.006 -12.270   4.458
  963    HB2  GLU 119           HB2      GLU 119   4.466 -11.254   6.713
  964    HB3  GLU 119           HB3      GLU 119   6.170 -11.424   6.313
  965    HG2  GLU 119           HG2      GLU 119   6.444  -9.144   5.990
  966    HG3  GLU 119           HG3      GLU 119   4.709  -8.863   5.846
  967    H    TRP 120           H        TRP 120   2.919 -12.401   5.494
  968    HA   TRP 120           HA       TRP 120   0.954 -10.992   3.965
  969    HB2  TRP 120           HB2      TRP 120   0.475 -12.538   6.526
  970    HB3  TRP 120           HB3      TRP 120  -0.668 -12.234   5.227
  971    HD1  TRP 120           HD1      TRP 120   0.207 -15.164   6.413
  972    HE1  TRP 120           HE1      TRP 120   1.015 -16.946   4.741
  973    HE3  TRP 120           HE3      TRP 120   1.526 -12.119   2.519
  974    HZ2  TRP 120           HZ2      TRP 120   2.070 -17.049   2.128
  975    HZ3  TRP 120           HZ3      TRP 120   2.414 -13.132   0.474
  976    HH2  TRP 120           HH2      TRP 120   2.690 -15.555   0.280
  977    H    ARG 121           H        ARG 121   0.771  -8.932   4.301
  978    HA   ARG 121           HA       ARG 121   1.692  -7.800   6.835
  979    HB2  ARG 121           HB2      ARG 121   1.850  -7.106   3.929
  980    HB3  ARG 121           HB3      ARG 121   1.894  -5.804   5.067
  981    HG2  ARG 121           HG2      ARG 121   3.750  -8.100   5.278
  982    HG3  ARG 121           HG3      ARG 121   4.096  -6.693   4.266
  983    HD2  ARG 121           HD2      ARG 121   3.642  -5.296   6.349
  984    HD3  ARG 121           HD3      ARG 121   3.736  -6.809   7.249
  985    HE   ARG 121           HE       ARG 121   5.998  -6.305   5.539
  986   HH11  ARG 121          HH12      ARG 121   4.612  -5.817   8.701
  987   HH12  ARG 121          HH11      ARG 121   6.139  -5.566   9.490
  988   HH21  ARG 121          HH22      ARG 121   8.027  -5.976   6.554
  989   HH22  ARG 121          HH21      ARG 121   8.096  -5.680   8.261
  990    H    ASP 122           H        ASP 122   0.372  -6.139   7.794
  991    HA   ASP 122           HA       ASP 122  -2.405  -6.896   7.259
  992    HB2  ASP 122           HB2      ASP 122  -1.186  -5.586   9.711
  993    HB3  ASP 122           HB3      ASP 122  -2.852  -6.132   9.552
  994    H    LEU 123           H        LEU 123  -3.952  -5.422   6.738
  995    HA   LEU 123           HA       LEU 123  -2.863  -2.748   6.036
  996    HB2  LEU 123           HB2      LEU 123  -4.678  -4.512   4.899
  997    HB3  LEU 123           HB3      LEU 123  -5.705  -3.295   5.651
  998    HG   LEU 123           HG       LEU 123  -5.307  -1.843   3.989
  999   HD11  LEU 123          HD11      LEU 123  -3.137  -1.234   4.957
 1000   HD12  LEU 123          HD12      LEU 123  -2.375  -2.578   4.105
 1001   HD13  LEU 123          HD13      LEU 123  -3.065  -1.234   3.195
 1002   HD21  LEU 123          HD21      LEU 123  -5.559  -3.924   2.718
 1003   HD22  LEU 123          HD22      LEU 123  -4.508  -2.779   1.886
 1004   HD23  LEU 123          HD23      LEU 123  -3.810  -4.151   2.744
 1005    H    GLN 124           H        GLN 124  -2.946  -1.482   8.016
 1006    HA   GLN 124           HA       GLN 124  -4.903  -2.429   9.868
 1007    HB2  GLN 124           HB2      GLN 124  -3.886  -0.960  11.500
 1008    HB3  GLN 124           HB3      GLN 124  -2.643  -1.864  10.644
 1009    HG2  GLN 124           HG2      GLN 124  -2.258   0.098   9.213
 1010    HG3  GLN 124           HG3      GLN 124  -3.423   0.997  10.185
 1011   HE21  GLN 124          HE21      GLN 124  -0.485  -0.792  10.268
 1012   HE22  GLN 124          HE22      GLN 124   0.255   0.025  11.608
 1013    H    SER 125           H        SER 125  -6.598  -1.599  10.472
 1014    HA   SER 125           HA       SER 125  -8.180   0.062   9.117
 1015    HB2  SER 125           HB2      SER 125  -9.399   0.150  11.334
 1016    HB3  SER 125           HB3      SER 125  -8.906  -1.464  10.830
 1017    HG   SER 125           HG       SER 125  -7.508   0.215  12.643
 1018    H    ALA 126           H        ALA 126  -7.545   2.075   8.486
 1019    HA   ALA 126           HA       ALA 126  -6.867   4.039  10.570
 1020    HB1  ALA 126           HB1      ALA 126  -6.486   4.225   7.588
 1021    HB2  ALA 126           HB2      ALA 126  -6.009   5.439   8.775
 1022    HB3  ALA 126           HB3      ALA 126  -5.230   3.856   8.769
 1023    H    GLU 127           H        GLU 127  -7.989   6.007  10.649
 1024    HA   GLU 127           HA       GLU 127 -10.448   6.138   9.041
 1025    HB2  GLU 127           HB2      GLU 127 -11.523   7.346  10.933
 1026    HB3  GLU 127           HB3      GLU 127 -11.119   5.677  11.297
 1027    HG2  GLU 127           HG2      GLU 127  -9.226   6.367  12.609
 1028    HG3  GLU 127           HG3      GLU 127  -9.468   8.051  12.139
 1029    H    LYS 128           H        LYS 128  -9.116   7.354   7.517
 1030    HA   LYS 128           HA       LYS 128  -9.179  10.194   8.209
 1031    HB2  LYS 128           HB2      LYS 128  -6.807   8.777   6.990
 1032    HB3  LYS 128           HB3      LYS 128  -7.013  10.521   6.953
 1033    HG2  LYS 128           HG2      LYS 128  -7.056  10.506   9.438
 1034    HG3  LYS 128           HG3      LYS 128  -6.682   8.783   9.388
 1035    HD2  LYS 128           HD2      LYS 128  -4.976  10.941   8.148
 1036    HD3  LYS 128           HD3      LYS 128  -4.692  10.232   9.739
 1037    HE2  LYS 128           HE2      LYS 128  -4.820   8.620   7.196
 1038    HE3  LYS 128           HE3      LYS 128  -3.322   9.269   7.862
 1039    HZ1  LYS 128           HZ1      LYS 128  -3.728   6.945   8.498
 1040    HZ2  LYS 128           HZ2      LYS 128  -5.144   7.418   9.311
 1041    HZ3  LYS 128           HZ3      LYS 128  -3.638   7.974   9.844
  Start of MODEL    9
    1    H1   GLU   1           H1       GLU   1  -7.110  -0.761  15.807
    2    H2   GLU   1           H2       GLU   1  -8.692  -1.278  16.145
    3    H3   GLU   1           H3       GLU   1  -8.372   0.367  15.881
    4    HA   GLU   1           HA       GLU   1  -9.410  -0.591  13.959
    5    HB2  GLU   1           HB2      GLU   1  -7.798   0.060  12.271
    6    HB3  GLU   1           HB3      GLU   1  -7.750   1.181  13.619
    7    HG2  GLU   1           HG2      GLU   1  -5.804  -1.081  13.312
    8    HG3  GLU   1           HG3      GLU   1  -5.538   0.519  12.613
    9    H    LYS   2           H        LYS   2  -8.719  -1.856  11.874
   10    HA   LYS   2           HA       LYS   2  -7.338  -4.216  11.990
   11    HB2  LYS   2           HB2      LYS   2  -9.448  -5.746  12.278
   12    HB3  LYS   2           HB3      LYS   2  -8.576  -5.194  13.698
   13    HG2  LYS   2           HG2      LYS   2 -10.728  -4.812  14.357
   14    HG3  LYS   2           HG3      LYS   2 -10.337  -3.255  13.660
   15    HD2  LYS   2           HD2      LYS   2 -12.570  -4.048  13.000
   16    HD3  LYS   2           HD3      LYS   2 -11.495  -3.829  11.618
   17    HE2  LYS   2           HE2      LYS   2 -12.615  -5.867  11.227
   18    HE3  LYS   2           HE3      LYS   2 -11.007  -6.316  11.789
   19    HZ1  LYS   2           HZ1      LYS   2 -12.728  -7.652  12.832
   20    HZ2  LYS   2           HZ2      LYS   2 -13.463  -6.261  13.457
   21    HZ3  LYS   2           HZ3      LYS   2 -11.915  -6.715  13.988
   22    H    LEU   3           H        LEU   3  -7.079  -3.455   9.939
   23    HA   LEU   3           HA       LEU   3  -9.336  -2.967   8.313
   24    HB2  LEU   3           HB2      LEU   3  -7.384  -1.512   8.243
   25    HB3  LEU   3           HB3      LEU   3  -6.391  -2.865   7.759
   26    HG   LEU   3           HG       LEU   3  -7.617  -2.993   5.666
   27   HD11  LEU   3          HD11      LEU   3  -8.956  -0.514   6.712
   28   HD12  LEU   3          HD12      LEU   3  -9.131  -1.161   5.079
   29   HD13  LEU   3          HD13      LEU   3  -9.728  -2.082   6.460
   30   HD21  LEU   3          HD21      LEU   3  -6.712  -0.968   4.651
   31   HD22  LEU   3          HD22      LEU   3  -6.482  -0.276   6.257
   32   HD23  LEU   3          HD23      LEU   3  -5.566  -1.703   5.773
   33    H    GLY   4           H        GLY   4  -7.564  -5.673   9.223
   34    HA2  GLY   4           HA3      GLY   4  -7.367  -7.748   8.071
   35    HA3  GLY   4           HA2      GLY   4  -7.808  -6.918   6.575
   36    H    LYS   5           H        LYS   5  -5.919  -7.573   5.425
   37    HA   LYS   5           HA       LYS   5  -3.478  -6.285   6.212
   38    HB2  LYS   5           HB2      LYS   5  -3.450  -9.308   6.109
   39    HB3  LYS   5           HB3      LYS   5  -2.063  -8.263   6.322
   40    HG2  LYS   5           HG2      LYS   5  -3.100  -7.466   8.460
   41    HG3  LYS   5           HG3      LYS   5  -4.298  -8.748   8.267
   42    HD2  LYS   5           HD2      LYS   5  -2.476  -9.456   9.737
   43    HD3  LYS   5           HD3      LYS   5  -2.517 -10.421   8.259
   44    HE2  LYS   5           HE2      LYS   5  -0.709  -9.108   7.319
   45    HE3  LYS   5           HE3      LYS   5  -0.703  -8.060   8.734
   46    HZ1  LYS   5           HZ1      LYS   5   1.063  -9.724   8.789
   47    HZ2  LYS   5           HZ2      LYS   5  -0.090 -10.969   8.776
   48    HZ3  LYS   5           HZ3      LYS   5  -0.006  -9.902  10.091
   49    H    LEU   6           H        LEU   6  -1.749  -6.643   4.631
   50    HA   LEU   6           HA       LEU   6  -2.801  -7.563   2.058
   51    HB2  LEU   6           HB2      LEU   6  -2.483  -5.505   1.178
   52    HB3  LEU   6           HB3      LEU   6  -2.271  -4.985   2.830
   53    HG   LEU   6           HG       LEU   6   0.214  -5.870   1.796
   54   HD11  LEU   6          HD11      LEU   6  -0.792  -5.191  -0.365
   55   HD12  LEU   6          HD12      LEU   6  -1.025  -3.570   0.308
   56   HD13  LEU   6          HD13      LEU   6   0.605  -4.227   0.108
   57   HD21  LEU   6          HD21      LEU   6   0.914  -3.653   2.604
   58   HD22  LEU   6          HD22      LEU   6  -0.770  -3.128   2.694
   59   HD23  LEU   6          HD23      LEU   6  -0.172  -4.392   3.779
   60    H    GLN   7           H        GLN   7  -1.698  -9.429   1.749
   61    HA   GLN   7           HA       GLN   7   0.995  -9.530   2.877
   62    HB2  GLN   7           HB2      GLN   7   0.821 -11.899   2.956
   63    HB3  GLN   7           HB3      GLN   7  -0.680 -11.245   3.574
   64    HG2  GLN   7           HG2      GLN   7  -0.385 -12.191   0.744
   65    HG3  GLN   7           HG3      GLN   7  -0.830 -13.266   2.068
   66   HE21  GLN   7          HE21      GLN   7  -1.789 -10.551   0.146
   67   HE22  GLN   7          HE22      GLN   7  -3.485 -10.628   0.519
   68    H    TYR   8           H        TYR   8   2.601  -9.004   1.470
   69    HA   TYR   8           HA       TYR   8   2.927 -11.003  -0.537
   70    HB2  TYR   8           HB2      TYR   8   1.795  -9.095  -1.748
   71    HB3  TYR   8           HB3      TYR   8   3.390  -8.344  -1.730
   72    HD1  TYR   8           HD2      TYR   8   2.517 -11.950  -2.048
   73    HD2  TYR   8           HD1      TYR   8   4.146  -8.533  -3.981
   74    HE1  TYR   8           HE2      TYR   8   3.197 -13.356  -3.943
   75    HE2  TYR   8           HE1      TYR   8   4.839  -9.931  -5.879
   76    HH   TYR   8           HH       TYR   8   5.355 -12.343  -6.307
   77    H    SER   9           H        SER   9   4.993  -9.540  -1.988
   78    HA   SER   9           HA       SER   9   7.166  -9.934  -0.049
   79    HB2  SER   9           HB2      SER   9   8.242 -11.598  -1.612
   80    HB3  SER   9           HB3      SER   9   6.788 -12.199  -0.815
   81    HG   SER   9           HG       SER   9   6.782 -11.033  -3.401
   82    H    LEU  10           H        LEU  10   8.480  -8.293  -0.404
   83    HA   LEU  10           HA       LEU  10   8.059  -6.578  -2.733
   84    HB2  LEU  10           HB2      LEU  10   9.347  -5.886  -0.089
   85    HB3  LEU  10           HB3      LEU  10   8.790  -4.772  -1.308
   86    HG   LEU  10           HG       LEU  10   7.451  -4.865   0.801
   87   HD11  LEU  10          HD11      LEU  10   6.000  -5.470  -1.755
   88   HD12  LEU  10          HD12      LEU  10   5.220  -4.899  -0.272
   89   HD13  LEU  10          HD13      LEU  10   6.408  -3.880  -1.102
   90   HD21  LEU  10          HD21      LEU  10   6.582  -7.523  -0.250
   91   HD22  LEU  10          HD22      LEU  10   7.407  -7.196   1.278
   92   HD23  LEU  10          HD23      LEU  10   5.755  -6.623   1.026
   93    H    ASP  11           H        ASP  11   9.895  -5.692  -3.973
   94    HA   ASP  11           HA       ASP  11  12.427  -7.117  -3.332
   95    HB2  ASP  11           HB2      ASP  11  11.336  -8.301  -5.134
   96    HB3  ASP  11           HB3      ASP  11  11.002  -6.801  -5.986
   97    H    TYR  12           H        TYR  12  14.288  -6.094  -4.722
   98    HA   TYR  12           HA       TYR  12  14.012  -3.129  -4.785
   99    HB2  TYR  12           HB2      TYR  12  15.047  -3.833  -2.708
  100    HB3  TYR  12           HB3      TYR  12  16.189  -4.852  -3.560
  101    HD1  TYR  12           HD1      TYR  12  15.313  -1.377  -4.550
  102    HD2  TYR  12           HD2      TYR  12  18.147  -3.938  -2.680
  103    HE1  TYR  12           HE1      TYR  12  16.939   0.472  -4.481
  104    HE2  TYR  12           HE2      TYR  12  19.777  -2.106  -2.614
  105    HH   TYR  12           HH       TYR  12  20.261  -0.035  -3.442
  106    H    ASP  13           H        ASP  13  14.292  -2.506  -6.686
  107    HA   ASP  13           HA       ASP  13  16.232  -3.824  -8.456
  108    HB2  ASP  13           HB2      ASP  13  13.879  -3.381  -9.296
  109    HB3  ASP  13           HB3      ASP  13  14.221  -1.660  -9.147
  110    H    PHE  14           H        PHE  14  18.237  -2.849  -8.510
  111    HA   PHE  14           HA       PHE  14  18.290  -0.628  -6.654
  112    HB2  PHE  14           HB2      PHE  14  20.732  -1.172  -6.474
  113    HB3  PHE  14           HB3      PHE  14  19.642  -2.463  -5.983
  114    HD1  PHE  14           HD2      PHE  14  22.054  -1.352  -8.505
  115    HD2  PHE  14           HD1      PHE  14  19.497  -4.518  -7.254
  116    HE1  PHE  14           HE2      PHE  14  23.199  -2.887 -10.053
  117    HE2  PHE  14           HE1      PHE  14  20.638  -6.054  -8.798
  118    HZ   PHE  14           HZ       PHE  14  22.478  -5.246 -10.206
  119    H    GLN  15           H        GLN  15  19.082  -1.180 -10.095
  120    HA   GLN  15           HA       GLN  15  20.414   1.391  -9.937
  121    HB2  GLN  15           HB2      GLN  15  21.344   0.981 -11.996
  122    HB3  GLN  15           HB3      GLN  15  21.321  -0.589 -11.253
  123    HG2  GLN  15           HG2      GLN  15  19.510   0.438 -13.414
  124    HG3  GLN  15           HG3      GLN  15  20.737  -0.817 -13.543
  125   HE21  GLN  15          HE21      GLN  15  17.532  -0.035 -12.728
  126   HE22  GLN  15          HE22      GLN  15  17.008  -1.626 -12.258
  127    H    ASN  16           H        ASN  16  17.103   0.592 -10.284
  128    HA   ASN  16           HA       ASN  16  16.990   3.390 -11.112
  129    HB2  ASN  16           HB2      ASN  16  14.526   3.012 -11.016
  130    HB3  ASN  16           HB3      ASN  16  15.351   2.089 -12.247
  131   HD21  ASN  16          HD21      ASN  16  14.060   0.394 -12.461
  132   HD22  ASN  16          HD22      ASN  16  13.671  -0.714 -11.189
  133    H    ASN  17           H        ASN  17  17.483   1.492  -8.577
  134    HA   ASN  17           HA       ASN  17  17.644   1.683  -6.398
  135    HB2  ASN  17           HB2      ASN  17  18.714   3.941  -7.410
  136    HB3  ASN  17           HB3      ASN  17  17.490   4.617  -6.335
  137   HD21  ASN  17          HD21      ASN  17  17.586   2.295  -4.600
  138   HD22  ASN  17          HD22      ASN  17  19.057   2.395  -3.691
  139    H    GLN  18           H        GLN  18  15.255   0.919  -6.779
  140    HA   GLN  18           HA       GLN  18  13.647   2.415  -4.894
  141    HB2  GLN  18           HB2      GLN  18  12.619   3.462  -6.657
  142    HB3  GLN  18           HB3      GLN  18  13.015   2.174  -7.744
  143    HG2  GLN  18           HG2      GLN  18  11.061   1.443  -5.743
  144    HG3  GLN  18           HG3      GLN  18  10.542   2.696  -6.870
  145   HE21  GLN  18          HE21      GLN  18   9.634  -0.046  -6.548
  146   HE22  GLN  18          HE22      GLN  18   9.882  -0.858  -8.052
  147    H    LEU  19           H        LEU  19  12.104   1.160  -3.900
  148    HA   LEU  19           HA       LEU  19  12.602  -1.695  -4.131
  149    HB2  LEU  19           HB2      LEU  19  10.637  -0.333  -2.296
  150    HB3  LEU  19           HB3      LEU  19  11.368  -1.917  -2.104
  151    HG   LEU  19           HG       LEU  19  12.877   0.688  -1.960
  152   HD11  LEU  19          HD11      LEU  19  11.922  -1.132   0.238
  153   HD12  LEU  19          HD12      LEU  19  12.972   0.271   0.442
  154   HD13  LEU  19          HD13      LEU  19  11.313   0.485  -0.118
  155   HD21  LEU  19          HD21      LEU  19  13.698  -2.134  -1.295
  156   HD22  LEU  19          HD22      LEU  19  14.231  -1.203  -2.694
  157   HD23  LEU  19          HD23      LEU  19  14.681  -0.688  -1.068
  158    H    LEU  20           H        LEU  20  11.056  -3.181  -4.804
  159    HA   LEU  20           HA       LEU  20   8.716  -2.062  -6.231
  160    HB2  LEU  20           HB2      LEU  20  10.848  -2.383  -7.510
  161    HB3  LEU  20           HB3      LEU  20  10.610  -4.077  -7.359
  162    HG   LEU  20           HG       LEU  20   8.541  -2.315  -8.653
  163   HD11  LEU  20          HD11      LEU  20   9.526  -2.926 -10.811
  164   HD12  LEU  20          HD12      LEU  20  10.635  -1.955  -9.841
  165   HD13  LEU  20          HD13      LEU  20  10.873  -3.697  -9.975
  166   HD21  LEU  20          HD21      LEU  20   9.185  -5.264  -8.837
  167   HD22  LEU  20          HD22      LEU  20   7.804  -4.545  -8.006
  168   HD23  LEU  20          HD23      LEU  20   7.933  -4.436  -9.763
  169    H    VAL  21           H        VAL  21   7.126  -3.145  -5.377
  170    HA   VAL  21           HA       VAL  21   6.962  -5.747  -6.312
  171    HB   VAL  21           HB       VAL  21   7.626  -5.718  -3.567
  172   HG11  VAL  21          HG11      VAL  21   5.157  -7.276  -4.385
  173   HG12  VAL  21          HG12      VAL  21   6.031  -7.442  -2.862
  174   HG13  VAL  21          HG13      VAL  21   5.174  -5.944  -3.230
  175   HG21  VAL  21          HG21      VAL  21   7.207  -7.772  -5.741
  176   HG22  VAL  21          HG22      VAL  21   8.698  -6.887  -5.420
  177   HG23  VAL  21          HG23      VAL  21   8.086  -8.041  -4.237
  178    H    GLY  22           H        GLY  22   5.239  -5.980  -7.332
  179    HA2  GLY  22           HA3      GLY  22   2.863  -4.746  -6.288
  180    HA3  GLY  22           HA2      GLY  22   2.928  -5.748  -7.715
  181    H    ILE  23           H        ILE  23   2.188  -5.466  -4.493
  182    HA   ILE  23           HA       ILE  23   2.743  -8.004  -3.523
  183    HB   ILE  23           HB       ILE  23   1.027  -7.266  -1.742
  184   HG12  ILE  23          HG12      ILE  23   0.631  -4.726  -1.879
  185   HG13  ILE  23          HG13      ILE  23   1.024  -4.867  -3.584
  186   HG21  ILE  23          HG21      ILE  23   3.354  -5.465  -2.413
  187   HG22  ILE  23          HG22      ILE  23   2.546  -5.551  -0.849
  188   HG23  ILE  23          HG23      ILE  23   3.421  -6.951  -1.466
  189   HD11  ILE  23          HD11      ILE  23  -1.379  -4.814  -3.208
  190   HD12  ILE  23          HD12      ILE  23  -0.876  -6.354  -3.906
  191   HD13  ILE  23          HD13      ILE  23  -1.258  -6.249  -2.187
  192    H    ILE  24           H        ILE  24  -0.025  -8.408  -2.196
  193    HA   ILE  24           HA       ILE  24  -1.131  -9.799  -4.548
  194    HB   ILE  24           HB       ILE  24  -1.158 -10.723  -1.677
  195   HG12  ILE  24          HG12      ILE  24   0.877 -11.228  -2.956
  196   HG13  ILE  24          HG13      ILE  24  -0.030 -12.692  -2.592
  197   HG21  ILE  24          HG21      ILE  24  -3.360 -11.115  -2.690
  198   HG22  ILE  24          HG22      ILE  24  -2.587 -11.947  -4.038
  199   HG23  ILE  24          HG23      ILE  24  -2.493 -12.626  -2.413
  200   HD11  ILE  24          HD11      ILE  24   0.820 -12.747  -4.859
  201   HD12  ILE  24          HD12      ILE  24  -0.943 -12.686  -4.863
  202   HD13  ILE  24          HD13      ILE  24  -0.007 -11.233  -5.226
  203    H    GLN  25           H        GLN  25  -2.240  -8.922  -1.343
  204    HA   GLN  25           HA       GLN  25  -4.711  -7.902  -2.375
  205    HB2  GLN  25           HB2      GLN  25  -5.339 -10.117  -2.632
  206    HB3  GLN  25           HB3      GLN  25  -4.262 -10.679  -1.372
  207    HG2  GLN  25           HG2      GLN  25  -6.557  -9.048  -0.503
  208    HG3  GLN  25           HG3      GLN  25  -6.920 -10.648  -1.156
  209   HE21  GLN  25          HE21      GLN  25  -5.003  -8.919   1.133
  210   HE22  GLN  25          HE22      GLN  25  -4.844 -10.193   2.302
  211    H    ALA  26           H        ALA  26  -5.591  -6.613  -0.905
  212    HA   ALA  26           HA       ALA  26  -4.877  -6.931   1.900
  213    HB1  ALA  26           HB1      ALA  26  -4.776  -4.645   1.050
  214    HB2  ALA  26           HB2      ALA  26  -6.435  -4.773   0.462
  215    HB3  ALA  26           HB3      ALA  26  -6.109  -4.805   2.196
  216    H    ALA  27           H        ALA  27  -6.626  -7.374   3.360
  217    HA   ALA  27           HA       ALA  27  -8.856  -8.682   1.974
  218    HB1  ALA  27           HB1      ALA  27  -7.293  -9.807   4.280
  219    HB2  ALA  27           HB2      ALA  27  -8.632 -10.592   3.440
  220    HB3  ALA  27           HB3      ALA  27  -7.116 -10.283   2.589
  221    H    GLU  28           H        GLU  28 -10.825  -8.158   2.668
  222    HA   GLU  28           HA       GLU  28 -12.582  -7.789   4.070
  223    HB2  GLU  28           HB2      GLU  28 -10.612  -8.321   6.297
  224    HB3  GLU  28           HB3      GLU  28 -12.362  -8.279   6.456
  225    HG2  GLU  28           HG2      GLU  28 -12.608 -10.284   5.222
  226    HG3  GLU  28           HG3      GLU  28 -10.922 -10.248   4.699
  227    H    LEU  29           H        LEU  29 -11.364  -5.489   3.114
  228    HA   LEU  29           HA       LEU  29 -11.004  -3.821   5.513
  229    HB2  LEU  29           HB2      LEU  29 -10.650  -2.610   2.838
  230    HB3  LEU  29           HB3      LEU  29  -9.745  -2.369   4.318
  231    HG   LEU  29           HG       LEU  29  -9.344  -4.498   2.216
  232   HD11  LEU  29          HD11      LEU  29  -7.672  -2.338   3.484
  233   HD12  LEU  29          HD12      LEU  29  -6.988  -3.645   2.504
  234   HD13  LEU  29          HD13      LEU  29  -8.137  -2.506   1.784
  235   HD21  LEU  29          HD21      LEU  29  -9.183  -5.657   4.331
  236   HD22  LEU  29          HD22      LEU  29  -7.580  -5.431   3.618
  237   HD23  LEU  29          HD23      LEU  29  -8.108  -4.404   4.969
  238    HA   PRO  30           HA       PRO  30 -15.045  -2.330   5.896
  239    HB2  PRO  30           HB2      PRO  30 -13.756   0.371   5.750
  240    HB3  PRO  30           HB3      PRO  30 -14.987  -0.226   6.872
  241    HG2  PRO  30           HG2      PRO  30 -12.453  -0.137   7.623
  242    HG3  PRO  30           HG3      PRO  30 -13.466  -1.527   8.053
  243    HD2  PRO  30           HD2      PRO  30 -11.288  -1.324   6.048
  244    HD3  PRO  30           HD3      PRO  30 -11.833  -2.727   6.986
  245    H    ALA  31           H        ALA  31 -16.764  -1.733   4.864
  246    HA   ALA  31           HA       ALA  31 -16.689  -1.312   2.026
  247    HB1  ALA  31           HB1      ALA  31 -19.110  -1.647   2.201
  248    HB2  ALA  31           HB2      ALA  31 -18.208  -2.888   3.072
  249    HB3  ALA  31           HB3      ALA  31 -18.983  -1.579   3.960
  250    H    LEU  32           H        LEU  32 -16.814   0.606   0.962
  251    HA   LEU  32           HA       LEU  32 -18.429   2.764   2.180
  252    HB2  LEU  32           HB2      LEU  32 -16.099   2.920   0.316
  253    HB3  LEU  32           HB3      LEU  32 -17.276   4.221   0.472
  254    HG   LEU  32           HG       LEU  32 -16.755   4.271   2.896
  255   HD11  LEU  32          HD11      LEU  32 -15.949   1.992   3.091
  256   HD12  LEU  32          HD12      LEU  32 -14.527   2.427   2.140
  257   HD13  LEU  32          HD13      LEU  32 -14.778   3.157   3.726
  258   HD21  LEU  32          HD21      LEU  32 -14.445   4.766   1.044
  259   HD22  LEU  32          HD22      LEU  32 -15.741   5.899   1.422
  260   HD23  LEU  32          HD23      LEU  32 -14.594   5.421   2.673
  261    H    ASP  33           H        ASP  33 -19.710   0.802   0.833
  262    HA   ASP  33           HA       ASP  33 -20.693   2.275  -1.464
  263    HB2  ASP  33           HB2      ASP  33 -19.045   0.712  -2.410
  264    HB3  ASP  33           HB3      ASP  33 -19.852  -0.633  -1.608
  265    H    MET  34           H        MET  34 -22.718   1.745  -2.051
  266    HA   MET  34           HA       MET  34 -24.409   0.875   0.101
  267    HB2  MET  34           HB2      MET  34 -25.095   1.711  -2.726
  268    HB3  MET  34           HB3      MET  34 -26.273   1.419  -1.456
  269    HG2  MET  34           HG2      MET  34 -25.975   3.757  -1.599
  270    HG3  MET  34           HG3      MET  34 -25.158   3.226  -0.131
  271    HE1  MET  34           HE1      MET  34 -24.625   6.090  -1.328
  272    HE2  MET  34           HE2      MET  34 -23.787   5.453   0.088
  273    HE3  MET  34           HE3      MET  34 -22.866   6.177  -1.231
  274    H    GLY  35           H        GLY  35 -23.095  -1.203  -0.166
  275    HA2  GLY  35           HA3      GLY  35 -24.987  -3.226  -0.836
  276    HA3  GLY  35           HA2      GLY  35 -23.625  -3.223  -1.954
  277    H    GLY  36           H        GLY  36 -23.029  -2.081   1.185
  278    HA2  GLY  36           HA3      GLY  36 -21.597  -2.747   2.827
  279    HA3  GLY  36           HA2      GLY  36 -22.366  -4.323   2.669
  280    H    THR  37           H        THR  37 -20.480  -2.570   0.312
  281    HA   THR  37           HA       THR  37 -18.165  -4.267   0.746
  282    HB   THR  37           HB       THR  37 -17.849  -4.462  -1.749
  283    HG1  THR  37           HG1      THR  37 -19.629  -2.804  -2.023
  284   HG21  THR  37          HG21      THR  37 -20.296  -5.837  -0.636
  285   HG22  THR  37          HG22      THR  37 -18.629  -6.377  -0.438
  286   HG23  THR  37          HG23      THR  37 -19.367  -6.361  -2.041
  287    H    SER  38           H        SER  38 -16.338  -3.226  -0.647
  288    HA   SER  38           HA       SER  38 -16.746  -0.333  -0.771
  289    HB2  SER  38           HB2      SER  38 -14.416  -0.116   0.097
  290    HB3  SER  38           HB3      SER  38 -15.524  -0.845   1.258
  291    HG   SER  38           HG       SER  38 -13.262  -1.817   0.435
  292    H    ASP  39           H        ASP  39 -15.093   0.760  -2.116
  293    HA   ASP  39           HA       ASP  39 -14.093  -1.044  -4.249
  294    HB2  ASP  39           HB2      ASP  39 -14.719   1.921  -4.322
  295    HB3  ASP  39           HB3      ASP  39 -13.840   1.098  -5.601
  296    HA   PRO  40           HA       PRO  40 -10.596   0.073  -1.309
  297    HB2  PRO  40           HB2      PRO  40  -9.513  -2.329  -2.681
  298    HB3  PRO  40           HB3      PRO  40  -9.516  -1.914  -0.964
  299    HG2  PRO  40           HG2      PRO  40 -11.200  -3.743  -2.039
  300    HG3  PRO  40           HG3      PRO  40 -11.619  -2.754  -0.631
  301    HD2  PRO  40           HD2      PRO  40 -12.598  -2.614  -3.394
  302    HD3  PRO  40           HD3      PRO  40 -13.332  -2.038  -1.885
  303    H    TYR  41           H        TYR  41  -8.606   0.953  -1.676
  304    HA   TYR  41           HA       TYR  41  -7.406   0.981  -4.290
  305    HB2  TYR  41           HB2      TYR  41  -9.058   2.760  -4.553
  306    HB3  TYR  41           HB3      TYR  41  -8.724   3.357  -2.950
  307    HD1  TYR  41           HD2      TYR  41  -6.480   4.459  -2.496
  308    HD2  TYR  41           HD1      TYR  41  -7.902   3.579  -6.397
  309    HE1  TYR  41           HE2      TYR  41  -4.868   6.053  -3.443
  310    HE2  TYR  41           HE1      TYR  41  -6.319   5.154  -7.357
  311    HH   TYR  41           HH       TYR  41  -3.735   6.504  -5.534
  312    H    VAL  42           H        VAL  42  -5.235   0.960  -3.809
  313    HA   VAL  42           HA       VAL  42  -4.518   1.779  -1.084
  314    HB   VAL  42           HB       VAL  42  -2.845   0.057  -2.910
  315   HG11  VAL  42          HG11      VAL  42  -1.590  -0.439  -0.869
  316   HG12  VAL  42          HG12      VAL  42  -1.583   1.289  -1.220
  317   HG13  VAL  42          HG13      VAL  42  -2.637   0.650   0.041
  318   HG21  VAL  42          HG21      VAL  42  -4.899  -1.117  -2.359
  319   HG22  VAL  42          HG22      VAL  42  -3.540  -1.826  -1.484
  320   HG23  VAL  42          HG23      VAL  42  -4.668  -0.759  -0.647
  321    H    LYS  43           H        LYS  43  -3.761   3.733  -0.955
  322    HA   LYS  43           HA       LYS  43  -2.123   4.704  -3.209
  323    HB2  LYS  43           HB2      LYS  43  -2.256   6.939  -1.955
  324    HB3  LYS  43           HB3      LYS  43  -3.695   6.373  -2.783
  325    HG2  LYS  43           HG2      LYS  43  -4.616   5.601  -0.667
  326    HG3  LYS  43           HG3      LYS  43  -3.163   6.149   0.169
  327    HD2  LYS  43           HD2      LYS  43  -4.970   7.769   0.403
  328    HD3  LYS  43           HD3      LYS  43  -3.629   8.449  -0.519
  329    HE2  LYS  43           HE2      LYS  43  -4.810   8.159  -2.581
  330    HE3  LYS  43           HE3      LYS  43  -6.080   7.232  -1.785
  331    HZ1  LYS  43           HZ1      LYS  43  -6.922   9.132  -0.755
  332    HZ2  LYS  43           HZ2      LYS  43  -6.548   9.669  -2.319
  333    HZ3  LYS  43           HZ3      LYS  43  -5.513  10.036  -1.024
  334    H    VAL  44           H        VAL  44   0.008   4.539  -3.053
  335    HA   VAL  44           HA       VAL  44   1.027   4.004  -0.336
  336    HB   VAL  44           HB       VAL  44   1.179   2.010  -1.716
  337   HG11  VAL  44          HG11      VAL  44   2.582   1.913  -3.707
  338   HG12  VAL  44          HG12      VAL  44   1.241   3.039  -3.916
  339   HG13  VAL  44          HG13      VAL  44   2.864   3.653  -3.597
  340   HG21  VAL  44          HG21      VAL  44   3.876   3.277  -1.256
  341   HG22  VAL  44          HG22      VAL  44   2.930   2.368  -0.077
  342   HG23  VAL  44          HG23      VAL  44   3.578   1.556  -1.502
  343    H    PHE  45           H        PHE  45   2.505   5.302   0.460
  344    HA   PHE  45           HA       PHE  45   3.927   7.131  -1.329
  345    HB2  PHE  45           HB2      PHE  45   2.224   8.021   1.012
  346    HB3  PHE  45           HB3      PHE  45   3.209   9.062  -0.003
  347    HD1  PHE  45           HD1      PHE  45   2.602   8.508  -2.667
  348    HD2  PHE  45           HD2      PHE  45  -0.022   8.336   0.677
  349    HE1  PHE  45           HE1      PHE  45   0.679   8.869  -4.156
  350    HE2  PHE  45           HE2      PHE  45  -1.947   8.692  -0.808
  351    HZ   PHE  45           HZ       PHE  45  -1.621   8.999  -3.187
  352    H    LEU  46           H        LEU  46   5.179   8.683   0.216
  353    HA   LEU  46           HA       LEU  46   6.313   7.193   2.491
  354    HB2  LEU  46           HB2      LEU  46   7.603   9.211   0.664
  355    HB3  LEU  46           HB3      LEU  46   8.275   8.751   2.214
  356    HG   LEU  46           HG       LEU  46   7.761   6.782   0.010
  357   HD11  LEU  46          HD11      LEU  46   9.354   8.435  -0.775
  358   HD12  LEU  46          HD12      LEU  46  10.305   8.241   0.698
  359   HD13  LEU  46          HD13      LEU  46  10.162   6.903  -0.443
  360   HD21  LEU  46          HD21      LEU  46   9.346   5.414   1.308
  361   HD22  LEU  46          HD22      LEU  46   9.392   6.671   2.543
  362   HD23  LEU  46          HD23      LEU  46   7.889   5.805   2.220
  363    H    LEU  47           H        LEU  47   6.971   8.523   4.313
  364    HA   LEU  47           HA       LEU  47   5.063  10.624   4.866
  365    HB2  LEU  47           HB2      LEU  47   5.527   9.268   6.719
  366    HB3  LEU  47           HB3      LEU  47   7.240   9.202   6.361
  367    HG   LEU  47           HG       LEU  47   6.772  11.876   6.877
  368   HD11  LEU  47          HD11      LEU  47   5.656  11.882   9.067
  369   HD12  LEU  47          HD12      LEU  47   4.570  11.373   7.773
  370   HD13  LEU  47          HD13      LEU  47   5.264  10.174   8.864
  371   HD21  LEU  47          HD21      LEU  47   8.742  10.629   7.503
  372   HD22  LEU  47          HD22      LEU  47   8.065  11.442   8.916
  373   HD23  LEU  47          HD23      LEU  47   7.817   9.710   8.692
  374    HA   PRO  48           HA       PRO  48   6.024  14.449   3.570
  375    HB2  PRO  48           HB2      PRO  48   8.042  14.623   5.778
  376    HB3  PRO  48           HB3      PRO  48   7.028  15.907   5.099
  377    HG2  PRO  48           HG2      PRO  48   6.295  14.262   7.229
  378    HG3  PRO  48           HG3      PRO  48   5.171  15.192   6.223
  379    HD2  PRO  48           HD2      PRO  48   5.254  12.386   6.407
  380    HD3  PRO  48           HD3      PRO  48   4.464  13.307   5.106
  381    H    ASP  49           H        ASP  49   8.414  12.133   3.178
  382    HA   ASP  49           HA       ASP  49   9.920  13.842   1.382
  383    HB2  ASP  49           HB2      ASP  49  11.028  11.894   2.432
  384    HB3  ASP  49           HB3      ASP  49   9.855  10.823   1.676
  385    H    LYS  50           H        LYS  50   8.072  10.837   0.915
  386    HA   LYS  50           HA       LYS  50   6.348  10.277  -0.382
  387    HB2  LYS  50           HB2      LYS  50   5.836  12.852   0.534
  388    HB3  LYS  50           HB3      LYS  50   5.569  12.970  -1.203
  389    HG2  LYS  50           HG2      LYS  50   4.212  11.127   0.748
  390    HG3  LYS  50           HG3      LYS  50   3.488  12.413  -0.235
  391    HD2  LYS  50           HD2      LYS  50   4.949  10.093  -1.420
  392    HD3  LYS  50           HD3      LYS  50   3.213  10.012  -1.053
  393    HE2  LYS  50           HE2      LYS  50   4.578  11.959  -2.916
  394    HE3  LYS  50           HE3      LYS  50   3.543  10.611  -3.377
  395    HZ1  LYS  50           HZ1      LYS  50   2.510  12.913  -3.349
  396    HZ2  LYS  50           HZ2      LYS  50   2.558  12.817  -1.657
  397    HZ3  LYS  50           HZ3      LYS  50   1.650  11.693  -2.545
  398    H    LYS  51           H        LYS  51   8.752  10.095  -1.656
  399    HA   LYS  51           HA       LYS  51   8.486  11.387  -4.200
  400    HB2  LYS  51           HB2      LYS  51  10.588  11.189  -2.953
  401    HB3  LYS  51           HB3      LYS  51  10.469   9.440  -3.036
  402    HG2  LYS  51           HG2      LYS  51  10.676   9.492  -5.380
  403    HG3  LYS  51           HG3      LYS  51  10.681  11.250  -5.408
  404    HD2  LYS  51           HD2      LYS  51  12.765   9.512  -4.070
  405    HD3  LYS  51           HD3      LYS  51  12.958  10.296  -5.637
  406    HE2  LYS  51           HE2      LYS  51  14.030  11.772  -4.222
  407    HE3  LYS  51           HE3      LYS  51  12.418  12.472  -4.333
  408    HZ1  LYS  51           HZ1      LYS  51  13.105  12.484  -2.063
  409    HZ2  LYS  51           HZ2      LYS  51  13.503  10.841  -2.101
  410    HZ3  LYS  51           HZ3      LYS  51  11.884  11.319  -2.212
  411    H    LYS  52           H        LYS  52   6.482   9.266  -3.279
  412    HA   LYS  52           HA       LYS  52   6.636   7.704  -5.736
  413    HB2  LYS  52           HB2      LYS  52   5.849   5.643  -4.456
  414    HB3  LYS  52           HB3      LYS  52   7.554   6.070  -4.345
  415    HG2  LYS  52           HG2      LYS  52   7.284   6.906  -2.146
  416    HG3  LYS  52           HG3      LYS  52   5.524   6.846  -2.272
  417    HD2  LYS  52           HD2      LYS  52   5.447   4.662  -1.760
  418    HD3  LYS  52           HD3      LYS  52   6.843   4.281  -2.777
  419    HE2  LYS  52           HE2      LYS  52   8.357   5.017  -1.076
  420    HE3  LYS  52           HE3      LYS  52   7.024   5.630  -0.096
  421    HZ1  LYS  52           HZ1      LYS  52   7.444   2.775  -0.769
  422    HZ2  LYS  52           HZ2      LYS  52   6.251   3.403   0.254
  423    HZ3  LYS  52           HZ3      LYS  52   7.882   3.499   0.696
  424    H    LYS  53           H        LYS  53   4.812   8.989  -6.500
  425    HA   LYS  53           HA       LYS  53   2.306   8.461  -5.178
  426    HB2  LYS  53           HB2      LYS  53   3.128  10.438  -6.786
  427    HB3  LYS  53           HB3      LYS  53   2.409   9.380  -7.993
  428    HG2  LYS  53           HG2      LYS  53   0.312   9.392  -6.758
  429    HG3  LYS  53           HG3      LYS  53   1.051  10.450  -5.551
  430    HD2  LYS  53           HD2      LYS  53   1.552  12.049  -7.451
  431    HD3  LYS  53           HD3      LYS  53   0.457  11.067  -8.432
  432    HE2  LYS  53           HE2      LYS  53  -0.306  12.217  -5.777
  433    HE3  LYS  53           HE3      LYS  53  -0.551  13.090  -7.292
  434    HZ1  LYS  53           HZ1      LYS  53  -2.438  11.633  -6.308
  435    HZ2  LYS  53           HZ2      LYS  53  -1.594  10.348  -7.026
  436    HZ3  LYS  53           HZ3      LYS  53  -2.159  11.633  -7.979
  437    H    PHE  54           H        PHE  54   1.982   6.154  -5.189
  438    HA   PHE  54           HA       PHE  54   1.462   5.177  -7.908
  439    HB2  PHE  54           HB2      PHE  54   3.037   3.771  -6.540
  440    HB3  PHE  54           HB3      PHE  54   1.671   3.394  -5.489
  441    HD1  PHE  54           HD1      PHE  54   2.725   3.286  -9.054
  442    HD2  PHE  54           HD2      PHE  54   0.273   1.605  -6.009
  443    HE1  PHE  54           HE1      PHE  54   2.014   1.518 -10.611
  444    HE2  PHE  54           HE2      PHE  54  -0.441  -0.167  -7.557
  445    HZ   PHE  54           HZ       PHE  54   0.428  -0.211  -9.862
  446    H    GLU  55           H        GLU  55  -0.435   3.431  -7.859
  447    HA   GLU  55           HA       GLU  55  -2.722   4.487  -6.479
  448    HB2  GLU  55           HB2      GLU  55  -2.449   6.197  -8.206
  449    HB3  GLU  55           HB3      GLU  55  -2.332   4.957  -9.447
  450    HG2  GLU  55           HG2      GLU  55  -4.755   4.518  -8.074
  451    HG3  GLU  55           HG3      GLU  55  -4.647   6.247  -8.400
  452    H    THR  56           H        THR  56  -3.636   2.590  -5.992
  453    HA   THR  56           HA       THR  56  -3.444   0.246  -7.589
  454    HB   THR  56           HB       THR  56  -5.550   0.888  -5.533
  455    HG1  THR  56           HG1      THR  56  -4.148   0.274  -3.980
  456   HG21  THR  56          HG21      THR  56  -6.041  -1.109  -6.791
  457   HG22  THR  56          HG22      THR  56  -5.578  -1.530  -5.141
  458   HG23  THR  56          HG23      THR  56  -4.428  -1.738  -6.462
  459    H    LYS  57           H        LYS  57  -4.956  -0.671  -8.953
  460    HA   LYS  57           HA       LYS  57  -6.995   0.941 -10.139
  461    HB2  LYS  57           HB2      LYS  57  -6.408  -2.005 -10.170
  462    HB3  LYS  57           HB3      LYS  57  -7.900  -1.392 -10.866
  463    HG2  LYS  57           HG2      LYS  57  -6.511   0.116 -12.299
  464    HG3  LYS  57           HG3      LYS  57  -5.088  -0.742 -11.705
  465    HD2  LYS  57           HD2      LYS  57  -5.895  -1.588 -13.891
  466    HD3  LYS  57           HD3      LYS  57  -5.899  -2.819 -12.628
  467    HE2  LYS  57           HE2      LYS  57  -7.930  -2.917 -13.995
  468    HE3  LYS  57           HE3      LYS  57  -8.294  -2.519 -12.317
  469    HZ1  LYS  57           HZ1      LYS  57  -9.548  -1.149 -13.880
  470    HZ2  LYS  57           HZ2      LYS  57  -8.108  -0.554 -14.539
  471    HZ3  LYS  57           HZ3      LYS  57  -8.509  -0.205 -12.938
  472    H    VAL  58           H        VAL  58  -9.257   0.882  -9.795
  473    HA   VAL  58           HA       VAL  58  -9.894   0.567  -7.019
  474    HB   VAL  58           HB       VAL  58 -12.178   1.362  -7.692
  475   HG11  VAL  58          HG11      VAL  58 -11.460   3.645  -8.165
  476   HG12  VAL  58          HG12      VAL  58 -10.432   2.901  -6.941
  477   HG13  VAL  58          HG13      VAL  58  -9.856   3.057  -8.601
  478   HG21  VAL  58          HG21      VAL  58 -10.897   1.628 -10.412
  479   HG22  VAL  58          HG22      VAL  58 -12.203   0.521  -9.989
  480   HG23  VAL  58          HG23      VAL  58 -12.474   2.263  -9.948
  481    H    HIS  59           H        HIS  59 -10.920  -1.000  -6.039
  482    HA   HIS  59           HA       HIS  59 -11.531  -3.396  -7.625
  483    HB2  HIS  59           HB2      HIS  59 -11.185  -3.136  -4.628
  484    HB3  HIS  59           HB3      HIS  59 -11.260  -4.633  -5.557
  485    HD1  HIS  59           HD1      HIS  59  -8.875  -3.114  -3.753
  486    HD2  HIS  59           HD2      HIS  59  -9.004  -4.045  -7.794
  487    HE1  HIS  59           HE1      HIS  59  -6.478  -3.233  -4.488
  488    HE2  HIS  59           HE2      HIS  59  -6.598  -3.567  -6.984
  489    H    ARG  60           H        ARG  60 -13.609  -2.897  -8.287
  490    HA   ARG  60           HA       ARG  60 -15.426  -1.631  -6.535
  491    HB2  ARG  60           HB2      ARG  60 -17.101  -2.360  -8.434
  492    HB3  ARG  60           HB3      ARG  60 -15.942  -1.064  -8.678
  493    HG2  ARG  60           HG2      ARG  60 -15.891  -2.381 -10.627
  494    HG3  ARG  60           HG3      ARG  60 -14.426  -2.763  -9.728
  495    HD2  ARG  60           HD2      ARG  60 -15.677  -4.743  -8.781
  496    HD3  ARG  60           HD3      ARG  60 -16.927  -4.410  -9.978
  497    HE   ARG  60           HE       ARG  60 -14.858  -4.595 -11.577
  498   HH11  ARG  60          HH12      ARG  60 -15.604  -6.560  -8.782
  499   HH12  ARG  60          HH11      ARG  60 -14.804  -7.978  -9.395
  500   HH21  ARG  60          HH22      ARG  60 -13.793  -6.435 -12.394
  501   HH22  ARG  60          HH21      ARG  60 -13.776  -7.911 -11.471
  502    H    LYS  61           H        LYS  61 -16.452  -2.427  -4.997
  503    HA   LYS  61           HA       LYS  61 -18.045  -3.527  -3.861
  504    HB2  LYS  61           HB2      LYS  61 -18.506  -5.355  -6.202
  505    HB3  LYS  61           HB3      LYS  61 -19.646  -4.860  -4.961
  506    HG2  LYS  61           HG2      LYS  61 -18.631  -3.291  -7.303
  507    HG3  LYS  61           HG3      LYS  61 -20.292  -3.695  -6.879
  508    HD2  LYS  61           HD2      LYS  61 -20.349  -2.118  -5.144
  509    HD3  LYS  61           HD3      LYS  61 -18.591  -1.965  -5.115
  510    HE2  LYS  61           HE2      LYS  61 -18.792  -1.063  -7.485
  511    HE3  LYS  61           HE3      LYS  61 -20.522  -0.929  -7.171
  512    HZ1  LYS  61           HZ1      LYS  61 -18.376   0.378  -5.592
  513    HZ2  LYS  61           HZ2      LYS  61 -20.043   0.523  -5.307
  514    HZ3  LYS  61           HZ3      LYS  61 -19.367   1.139  -6.732
  515    H    THR  62           H        THR  62 -15.557  -4.200  -3.231
  516    HA   THR  62           HA       THR  62 -15.913  -6.935  -2.390
  517    HB   THR  62           HB       THR  62 -14.177  -7.919  -3.446
  518    HG1  THR  62           HG1      THR  62 -12.848  -5.505  -2.924
  519   HG21  THR  62          HG21      THR  62 -15.267  -6.952  -5.386
  520   HG22  THR  62          HG22      THR  62 -13.523  -7.054  -5.638
  521   HG23  THR  62          HG23      THR  62 -14.270  -5.508  -5.235
  522    H    LEU  63           H        LEU  63 -15.466  -6.906  -0.285
  523    HA   LEU  63           HA       LEU  63 -13.881  -4.817   0.917
  524    HB2  LEU  63           HB2      LEU  63 -15.672  -6.883   1.778
  525    HB3  LEU  63           HB3      LEU  63 -14.182  -6.965   2.688
  526    HG   LEU  63           HG       LEU  63 -14.505  -4.784   3.564
  527   HD11  LEU  63          HD11      LEU  63 -16.735  -4.526   1.552
  528   HD12  LEU  63          HD12      LEU  63 -16.381  -3.357   2.827
  529   HD13  LEU  63          HD13      LEU  63 -15.197  -3.659   1.556
  530   HD21  LEU  63          HD21      LEU  63 -17.197  -6.149   3.483
  531   HD22  LEU  63          HD22      LEU  63 -15.884  -6.539   4.595
  532   HD23  LEU  63          HD23      LEU  63 -16.664  -4.958   4.670
  533    H    ASN  64           H        ASN  64 -13.180  -7.707  -0.618
  534    HA   ASN  64           HA       ASN  64 -10.617  -7.948   0.750
  535    HB2  ASN  64           HB2      ASN  64 -12.404  -9.562   1.665
  536    HB3  ASN  64           HB3      ASN  64 -12.272 -10.387   0.118
  537   HD21  ASN  64          HD21      ASN  64  -9.464 -10.115  -0.254
  538   HD22  ASN  64          HD22      ASN  64  -8.700 -11.114   0.927
  539    HA   PRO  65           HA       PRO  65 -10.227  -8.324  -3.772
  540    HB2  PRO  65           HB2      PRO  65  -8.836  -6.100  -4.233
  541    HB3  PRO  65           HB3      PRO  65 -10.576  -6.025  -3.928
  542    HG2  PRO  65           HG2      PRO  65  -8.312  -5.326  -2.112
  543    HG3  PRO  65           HG3      PRO  65  -9.910  -4.618  -2.241
  544    HD2  PRO  65           HD2      PRO  65  -9.087  -6.521  -0.362
  545    HD3  PRO  65           HD3      PRO  65 -10.749  -5.985  -0.673
  546    H    VAL  66           H        VAL  66  -8.526  -9.234  -4.830
  547    HA   VAL  66           HA       VAL  66  -5.860  -8.792  -3.681
  548    HB   VAL  66           HB       VAL  66  -5.518 -10.970  -3.381
  549   HG11  VAL  66          HG11      VAL  66  -7.896 -11.253  -3.019
  550   HG12  VAL  66          HG12      VAL  66  -8.168 -11.470  -4.748
  551   HG13  VAL  66          HG13      VAL  66  -7.249 -12.672  -3.843
  552   HG21  VAL  66          HG21      VAL  66  -6.083 -11.333  -6.323
  553   HG22  VAL  66          HG22      VAL  66  -4.520 -10.993  -5.583
  554   HG23  VAL  66          HG23      VAL  66  -5.328 -12.530  -5.272
  555    H    PHE  67           H        PHE  67  -4.994  -7.408  -4.913
  556    HA   PHE  67           HA       PHE  67  -5.740  -7.525  -7.711
  557    HB2  PHE  67           HB2      PHE  67  -5.783  -5.305  -6.481
  558    HB3  PHE  67           HB3      PHE  67  -4.025  -5.303  -6.712
  559    HD1  PHE  67           HD1      PHE  67  -3.069  -5.324  -8.990
  560    HD2  PHE  67           HD2      PHE  67  -7.263  -5.032  -8.346
  561    HE1  PHE  67           HE1      PHE  67  -3.383  -4.689 -11.343
  562    HE2  PHE  67           HE2      PHE  67  -7.581  -4.377 -10.693
  563    HZ   PHE  67           HZ       PHE  67  -5.640  -4.213 -12.196
  564    H    ASN  68           H        ASN  68  -2.763  -8.018  -5.851
  565    HA   ASN  68           HA       ASN  68  -0.590  -7.975  -6.478
  566    HB2  ASN  68           HB2      ASN  68  -1.420  -9.884  -7.976
  567    HB3  ASN  68           HB3      ASN  68  -1.469  -8.695  -9.275
  568   HD21  ASN  68          HD21      ASN  68   0.435  -7.933 -10.149
  569   HD22  ASN  68          HD22      ASN  68   1.966  -8.676  -9.832
  570    H    GLU  69           H        GLU  69  -0.600  -5.784  -6.118
  571    HA   GLU  69           HA       GLU  69  -0.655  -3.970  -8.490
  572    HB2  GLU  69           HB2      GLU  69  -1.574  -3.566  -5.668
  573    HB3  GLU  69           HB3      GLU  69  -0.817  -2.213  -6.476
  574    HG2  GLU  69           HG2      GLU  69  -3.373  -3.599  -7.230
  575    HG3  GLU  69           HG3      GLU  69  -3.155  -1.973  -6.573
  576    H    GLN  70           H        GLN  70   1.371  -3.299  -8.964
  577    HA   GLN  70           HA       GLN  70   3.546  -3.733  -7.212
  578    HB2  GLN  70           HB2      GLN  70   3.381  -3.568  -9.842
  579    HB3  GLN  70           HB3      GLN  70   3.708  -1.882  -9.555
  580    HG2  GLN  70           HG2      GLN  70   5.480  -3.999  -8.418
  581    HG3  GLN  70           HG3      GLN  70   5.653  -3.469 -10.088
  582   HE21  GLN  70          HE21      GLN  70   5.925  -2.561  -6.761
  583   HE22  GLN  70          HE22      GLN  70   6.861  -1.136  -7.008
  584    H    PHE  71           H        PHE  71   3.660  -2.521  -5.408
  585    HA   PHE  71           HA       PHE  71   3.235   0.333  -5.675
  586    HB2  PHE  71           HB2      PHE  71   4.047  -1.286  -3.249
  587    HB3  PHE  71           HB3      PHE  71   3.595   0.415  -3.251
  588    HD1  PHE  71           HD1      PHE  71   1.263   0.278  -5.117
  589    HD2  PHE  71           HD2      PHE  71   2.404  -2.204  -1.857
  590    HE1  PHE  71           HE1      PHE  71  -1.092  -0.342  -4.776
  591    HE2  PHE  71           HE2      PHE  71   0.051  -2.836  -1.513
  592    HZ   PHE  71           HZ       PHE  71  -1.700  -1.905  -2.972
  593    H    THR  72           H        THR  72   4.820   0.908  -6.957
  594    HA   THR  72           HA       THR  72   7.578   0.608  -6.576
  595    HB   THR  72           HB       THR  72   6.201   3.089  -7.632
  596    HG1  THR  72           HG1      THR  72   6.437   0.498  -8.793
  597   HG21  THR  72          HG21      THR  72   8.732   1.668  -8.461
  598   HG22  THR  72          HG22      THR  72   8.653   3.134  -7.484
  599   HG23  THR  72          HG23      THR  72   8.101   3.159  -9.159
  600    H    PHE  73           H        PHE  73   8.788   1.257  -4.979
  601    HA   PHE  73           HA       PHE  73   7.845   3.481  -3.313
  602    HB2  PHE  73           HB2      PHE  73   9.906   1.405  -2.516
  603    HB3  PHE  73           HB3      PHE  73   9.041   2.520  -1.470
  604    HD1  PHE  73           HD2      PHE  73   6.349   2.206  -1.725
  605    HD2  PHE  73           HD1      PHE  73   9.297  -0.801  -2.322
  606    HE1  PHE  73           HE2      PHE  73   4.663   0.474  -1.286
  607    HE2  PHE  73           HE1      PHE  73   7.613  -2.538  -1.885
  608    HZ   PHE  73           HZ       PHE  73   5.355  -1.934  -1.259
  609    H    LYS  74           H        LYS  74   8.774   5.084  -4.562
  610    HA   LYS  74           HA       LYS  74  11.314   4.668  -5.792
  611    HB2  LYS  74           HB2      LYS  74   9.654   7.181  -5.742
  612    HB3  LYS  74           HB3      LYS  74  10.945   6.791  -6.870
  613    HG2  LYS  74           HG2      LYS  74   9.116   4.684  -7.056
  614    HG3  LYS  74           HG3      LYS  74   8.153   6.163  -7.004
  615    HD2  LYS  74           HD2      LYS  74   8.730   5.558  -9.302
  616    HD3  LYS  74           HD3      LYS  74   9.475   7.090  -8.841
  617    HE2  LYS  74           HE2      LYS  74  11.588   5.972  -8.434
  618    HE3  LYS  74           HE3      LYS  74  10.855   4.409  -8.796
  619    HZ1  LYS  74           HZ1      LYS  74  10.458   5.164 -11.054
  620    HZ2  LYS  74           HZ2      LYS  74  12.105   5.253 -10.668
  621    HZ3  LYS  74           HZ3      LYS  74  11.168   6.666 -10.703
  622    H    VAL  75           H        VAL  75  12.162   4.374  -3.550
  623    HA   VAL  75           HA       VAL  75  13.671   6.800  -3.005
  624    HB   VAL  75           HB       VAL  75  12.053   6.846  -1.186
  625   HG11  VAL  75          HG11      VAL  75  12.842   3.992  -0.625
  626   HG12  VAL  75          HG12      VAL  75  11.777   4.983   0.373
  627   HG13  VAL  75          HG13      VAL  75  11.289   4.539  -1.262
  628   HG21  VAL  75          HG21      VAL  75  14.690   5.752  -0.248
  629   HG22  VAL  75          HG22      VAL  75  14.323   7.439  -0.612
  630   HG23  VAL  75          HG23      VAL  75  13.530   6.637   0.744
  631    HA   PRO  76           HA       PRO  76  16.903   3.670  -3.455
  632    HB2  PRO  76           HB2      PRO  76  18.243   6.102  -2.276
  633    HB3  PRO  76           HB3      PRO  76  18.853   4.976  -3.507
  634    HG2  PRO  76           HG2      PRO  76  17.877   7.182  -4.413
  635    HG3  PRO  76           HG3      PRO  76  17.191   5.658  -5.083
  636    HD2  PRO  76           HD2      PRO  76  16.073   7.393  -2.860
  637    HD3  PRO  76           HD3      PRO  76  15.257   6.830  -4.343
  638    H    TYR  77           H        TYR  77  18.093   2.462  -2.021
  639    HA   TYR  77           HA       TYR  77  16.738   2.086   0.432
  640    HB2  TYR  77           HB2      TYR  77  17.580   0.238  -0.866
  641    HB3  TYR  77           HB3      TYR  77  19.243   0.816  -0.683
  642    HD1  TYR  77           HD2      TYR  77  16.396  -0.741   1.071
  643    HD2  TYR  77           HD1      TYR  77  20.502   0.350   1.314
  644    HE1  TYR  77           HE2      TYR  77  16.629  -2.095   3.107
  645    HE2  TYR  77           HE1      TYR  77  20.743  -1.000   3.357
  646    HH   TYR  77           HH       TYR  77  19.252  -1.861   5.197
  647    H    SER  78           H        SER  78  19.884   3.455  -0.390
  648    HA   SER  78           HA       SER  78  20.796   4.074   2.179
  649    HB2  SER  78           HB2      SER  78  21.908   6.039   0.903
  650    HB3  SER  78           HB3      SER  78  22.316   4.391   0.418
  651    HG   SER  78           HG       SER  78  21.604   4.901  -1.485
  652    H    GLU  79           H        GLU  79  18.403   5.653   0.177
  653    HA   GLU  79           HA       GLU  79  18.146   7.975   1.901
  654    HB2  GLU  79           HB2      GLU  79  17.355   7.207  -0.798
  655    HB3  GLU  79           HB3      GLU  79  16.041   7.979   0.076
  656    HG2  GLU  79           HG2      GLU  79  18.631   9.341   0.273
  657    HG3  GLU  79           HG3      GLU  79  17.930   9.285  -1.344
  658    H    LEU  80           H        LEU  80  16.807   4.885   1.473
  659    HA   LEU  80           HA       LEU  80  14.172   5.252   2.333
  660    HB2  LEU  80           HB2      LEU  80  14.292   3.216   1.395
  661    HB3  LEU  80           HB3      LEU  80  15.993   3.041   1.774
  662    HG   LEU  80           HG       LEU  80  13.987   2.636   3.955
  663   HD11  LEU  80          HD11      LEU  80  13.806   0.274   3.310
  664   HD12  LEU  80          HD12      LEU  80  13.094   1.349   2.106
  665   HD13  LEU  80          HD13      LEU  80  14.678   0.628   1.817
  666   HD21  LEU  80          HD21      LEU  80  15.654   0.990   4.693
  667   HD22  LEU  80          HD22      LEU  80  16.638   1.358   3.277
  668   HD23  LEU  80          HD23      LEU  80  16.365   2.595   4.504
  669    H    GLY  81           H        GLY  81  17.156   4.760   4.062
  670    HA2  GLY  81           HA3      GLY  81  16.382   4.230   6.628
  671    HA3  GLY  81           HA2      GLY  81  17.696   5.321   6.206
  672    H    GLY  82           H        GLY  82  16.385   7.427   5.077
  673    HA2  GLY  82           HA3      GLY  82  15.397   8.827   7.336
  674    HA3  GLY  82           HA2      GLY  82  15.406   9.409   5.681
  675    H    LYS  83           H        LYS  83  13.744   7.112   4.741
  676    HA   LYS  83           HA       LYS  83  11.322   8.644   5.157
  677    HB2  LYS  83           HB2      LYS  83  11.468   6.283   3.339
  678    HB3  LYS  83           HB3      LYS  83  10.542   7.763   3.168
  679    HG2  LYS  83           HG2      LYS  83  13.494   7.409   2.736
  680    HG3  LYS  83           HG3      LYS  83  12.257   7.706   1.515
  681    HD2  LYS  83           HD2      LYS  83  11.874   9.923   2.371
  682    HD3  LYS  83           HD3      LYS  83  12.966   9.629   3.728
  683    HE2  LYS  83           HE2      LYS  83  14.819   9.319   2.148
  684    HE3  LYS  83           HE3      LYS  83  13.726   9.661   0.810
  685    HZ1  LYS  83           HZ1      LYS  83  15.138  11.558   1.557
  686    HZ2  LYS  83           HZ2      LYS  83  14.257  11.590   3.004
  687    HZ3  LYS  83           HZ3      LYS  83  13.475  11.887   1.522
  688    H    THR  84           H        THR  84   9.344   7.831   5.824
  689    HA   THR  84           HA       THR  84   9.359   5.037   6.767
  690    HB   THR  84           HB       THR  84   7.730   5.509   8.391
  691    HG1  THR  84           HG1      THR  84   6.759   7.119   6.644
  692   HG21  THR  84          HG21      THR  84   8.579   7.367   9.725
  693   HG22  THR  84          HG22      THR  84   9.442   7.998   8.322
  694   HG23  THR  84          HG23      THR  84   9.913   6.450   9.024
  695    H    LEU  85           H        LEU  85   7.968   3.701   5.766
  696    HA   LEU  85           HA       LEU  85   6.782   4.794   3.374
  697    HB2  LEU  85           HB2      LEU  85   7.667   2.954   2.537
  698    HB3  LEU  85           HB3      LEU  85   8.027   2.346   4.138
  699    HG   LEU  85           HG       LEU  85   5.517   1.647   4.122
  700   HD11  LEU  85          HD11      LEU  85   4.912   2.721   2.033
  701   HD12  LEU  85          HD12      LEU  85   6.153   1.803   1.178
  702   HD13  LEU  85          HD13      LEU  85   4.765   0.970   1.880
  703   HD21  LEU  85          HD21      LEU  85   7.505   0.204   4.263
  704   HD22  LEU  85          HD22      LEU  85   6.194  -0.518   3.319
  705   HD23  LEU  85          HD23      LEU  85   7.585   0.192   2.500
  706    H    VAL  86           H        VAL  86   4.787   5.026   3.052
  707    HA   VAL  86           HA       VAL  86   2.817   4.061   4.906
  708    HB   VAL  86           HB       VAL  86   1.668   5.975   4.792
  709   HG11  VAL  86          HG11      VAL  86   3.878   6.736   5.410
  710   HG12  VAL  86          HG12      VAL  86   4.300   6.986   3.715
  711   HG13  VAL  86          HG13      VAL  86   3.054   7.980   4.469
  712   HG21  VAL  86          HG21      VAL  86   2.492   6.382   1.921
  713   HG22  VAL  86          HG22      VAL  86   0.960   5.718   2.492
  714   HG23  VAL  86          HG23      VAL  86   1.371   7.401   2.825
  715    H    MET  87           H        MET  87   1.191   2.948   4.268
  716    HA   MET  87           HA       MET  87   0.458   2.873   1.431
  717    HB2  MET  87           HB2      MET  87   0.405   0.493   3.316
  718    HB3  MET  87           HB3      MET  87  -0.204   0.502   1.670
  719    HG2  MET  87           HG2      MET  87   2.060   0.897   0.839
  720    HG3  MET  87           HG3      MET  87   2.664   0.868   2.496
  721    HE1  MET  87           HE1      MET  87   4.429  -1.025   1.958
  722    HE2  MET  87           HE2      MET  87   4.026  -2.528   1.128
  723    HE3  MET  87           HE3      MET  87   3.923  -0.992   0.269
  724    H    ALA  88           H        ALA  88  -1.612   3.481   1.229
  725    HA   ALA  88           HA       ALA  88  -3.284   3.482   3.651
  726    HB1  ALA  88           HB1      ALA  88  -4.284   5.650   2.699
  727    HB2  ALA  88           HB2      ALA  88  -2.698   5.752   3.496
  728    HB3  ALA  88           HB3      ALA  88  -2.798   5.744   1.737
  729    H    VAL  89           H        VAL  89  -4.952   2.201   3.249
  730    HA   VAL  89           HA       VAL  89  -5.784   1.976   0.466
  731    HB   VAL  89           HB       VAL  89  -7.272   0.618   2.676
  732   HG11  VAL  89          HG11      VAL  89  -8.106   0.455   0.399
  733   HG12  VAL  89          HG12      VAL  89  -6.541  -0.148  -0.153
  734   HG13  VAL  89          HG13      VAL  89  -7.522  -1.118   0.947
  735   HG21  VAL  89          HG21      VAL  89  -4.931   0.211   3.211
  736   HG22  VAL  89          HG22      VAL  89  -5.702  -1.258   2.612
  737   HG23  VAL  89          HG23      VAL  89  -4.636  -0.326   1.559
  738    H    TYR  90           H        TYR  90  -7.190   3.346  -0.285
  739    HA   TYR  90           HA       TYR  90  -9.040   4.637   1.576
  740    HB2  TYR  90           HB2      TYR  90  -7.275   5.874  -0.516
  741    HB3  TYR  90           HB3      TYR  90  -8.819   6.624  -0.125
  742    HD1  TYR  90           HD1      TYR  90  -7.355   4.975   2.700
  743    HD2  TYR  90           HD2      TYR  90  -7.260   8.590   0.466
  744    HE1  TYR  90           HE1      TYR  90  -6.328   6.122   4.614
  745    HE2  TYR  90           HE2      TYR  90  -6.228   9.745   2.374
  746    HH   TYR  90           HH       TYR  90  -6.044   9.517   4.790
  747    H    ASP  91           H        ASP  91 -11.031   4.789   0.913
  748    HA   ASP  91           HA       ASP  91 -11.707   3.053  -1.348
  749    HB2  ASP  91           HB2      ASP  91 -12.500   2.730   1.099
  750    HB3  ASP  91           HB3      ASP  91 -13.774   3.852   0.603
  751    H    PHE  92           H        PHE  92 -12.798   3.644  -3.076
  752    HA   PHE  92           HA       PHE  92 -13.550   6.415  -3.415
  753    HB2  PHE  92           HB2      PHE  92 -12.539   5.145  -5.267
  754    HB3  PHE  92           HB3      PHE  92 -13.902   4.032  -5.251
  755    HD1  PHE  92           HD2      PHE  92 -13.301   7.708  -5.469
  756    HD2  PHE  92           HD1      PHE  92 -15.499   4.341  -6.853
  757    HE1  PHE  92           HE2      PHE  92 -14.487   9.146  -7.069
  758    HE2  PHE  92           HE1      PHE  92 -16.691   5.772  -8.461
  759    HZ   PHE  92           HZ       PHE  92 -16.186   8.180  -8.569
  760    H    ASP  93           H        ASP  93 -15.332   7.003  -2.256
  761    HA   ASP  93           HA       ASP  93 -17.583   5.179  -2.083
  762    HB2  ASP  93           HB2      ASP  93 -18.472   6.711  -0.362
  763    HB3  ASP  93           HB3      ASP  93 -16.878   6.082  -0.001
  764    H    ARG  94           H        ARG  94 -16.822   6.926  -4.451
  765    HA   ARG  94           HA       ARG  94 -17.979   7.222  -6.353
  766    HB2  ARG  94           HB2      ARG  94 -20.157   5.879  -4.792
  767    HB3  ARG  94           HB3      ARG  94 -20.209   6.178  -6.525
  768    HG2  ARG  94           HG2      ARG  94 -18.027   4.880  -6.650
  769    HG3  ARG  94           HG3      ARG  94 -18.381   4.362  -5.000
  770    HD2  ARG  94           HD2      ARG  94 -20.142   3.974  -7.415
  771    HD3  ARG  94           HD3      ARG  94 -19.177   2.730  -6.627
  772    HE   ARG  94           HE       ARG  94 -20.666   2.773  -4.781
  773   HH11  ARG  94          HH12      ARG  94 -21.711   4.796  -7.452
  774   HH12  ARG  94          HH11      ARG  94 -23.368   4.816  -6.934
  775   HH21  ARG  94          HH22      ARG  94 -22.837   2.819  -4.123
  776   HH22  ARG  94          HH21      ARG  94 -24.007   3.721  -5.039
  777    H    PHE  95           H        PHE  95 -18.793   9.125  -3.805
  778    HA   PHE  95           HA       PHE  95 -20.478  10.748  -5.576
  779    HB2  PHE  95           HB2      PHE  95 -21.126  10.076  -2.694
  780    HB3  PHE  95           HB3      PHE  95 -21.901  11.376  -3.596
  781    HD1  PHE  95           HD1      PHE  95 -23.282  10.819  -5.597
  782    HD2  PHE  95           HD2      PHE  95 -21.808   7.834  -2.946
  783    HE1  PHE  95           HE1      PHE  95 -24.938   9.226  -6.478
  784    HE2  PHE  95           HE2      PHE  95 -23.460   6.235  -3.825
  785    HZ   PHE  95           HZ       PHE  95 -25.026   6.930  -5.591
  786    H    SER  96           H        SER  96 -19.497  11.109  -2.166
  787    HA   SER  96           HA       SER  96 -17.654  13.231  -3.094
  788    HB2  SER  96           HB2      SER  96 -17.331  13.787  -0.734
  789    HB3  SER  96           HB3      SER  96 -19.066  13.736  -1.044
  790    HG   SER  96           HG       SER  96 -17.481  11.696   0.147
  791    H    LYS  97           H        LYS  97 -15.225  12.646  -2.666
  792    HA   LYS  97           HA       LYS  97 -15.079   9.993  -1.537
  793    HB2  LYS  97           HB2      LYS  97 -13.099  11.806  -2.718
  794    HB3  LYS  97           HB3      LYS  97 -12.520  10.902  -1.323
  795    HG2  LYS  97           HG2      LYS  97 -13.516   8.851  -2.532
  796    HG3  LYS  97           HG3      LYS  97 -13.476   9.883  -3.967
  797    HD2  LYS  97           HD2      LYS  97 -11.152   9.078  -2.220
  798    HD3  LYS  97           HD3      LYS  97 -11.456   8.573  -3.882
  799    HE2  LYS  97           HE2      LYS  97 -10.939  11.411  -3.010
  800    HE3  LYS  97           HE3      LYS  97  -9.717  10.329  -3.673
  801    HZ1  LYS  97           HZ1      LYS  97 -12.199  11.082  -5.126
  802    HZ2  LYS  97           HZ2      LYS  97 -10.840  10.274  -5.746
  803    HZ3  LYS  97           HZ3      LYS  97 -10.725  11.905  -5.290
  804    H    HIS  98           H        HIS  98 -16.026  10.271   0.732
  805    HA   HIS  98           HA       HIS  98 -13.616  11.146   2.171
  806    HB2  HIS  98           HB2      HIS  98 -14.790   9.964   4.165
  807    HB3  HIS  98           HB3      HIS  98 -15.400  11.528   3.657
  808    HD1  HIS  98           HD1      HIS  98 -16.236   7.911   2.729
  809    HD2  HIS  98           HD2      HIS  98 -18.077  11.520   3.642
  810    HE1  HIS  98           HE1      HIS  98 -18.707   7.434   2.721
  811    HE2  HIS  98           HE2      HIS  98 -19.798   9.682   3.068
  812    H    ASP  99           H        ASP  99 -11.965   9.723   1.520
  813    HA   ASP  99           HA       ASP  99 -12.859   6.989   1.084
  814    HB2  ASP  99           HB2      ASP  99 -10.437   6.750   0.220
  815    HB3  ASP  99           HB3      ASP  99 -11.555   7.722  -0.722
  816    H    ILE 100           H        ILE 100 -13.158   6.544   3.408
  817    HA   ILE 100           HA       ILE 100 -10.626   5.861   4.685
  818    HB   ILE 100           HB       ILE 100 -12.125   6.589   6.310
  819   HG12  ILE 100          HG12      ILE 100 -12.296   3.584   6.166
  820   HG13  ILE 100          HG13      ILE 100 -11.117   4.546   7.053
  821   HG21  ILE 100          HG21      ILE 100 -14.262   4.960   4.946
  822   HG22  ILE 100          HG22      ILE 100 -14.480   5.819   6.472
  823   HG23  ILE 100          HG23      ILE 100 -14.132   6.718   4.995
  824   HD11  ILE 100          HD11      ILE 100 -12.872   5.332   8.549
  825   HD12  ILE 100          HD12      ILE 100 -14.057   4.372   7.665
  826   HD13  ILE 100          HD13      ILE 100 -12.759   3.572   8.552
  827    H    ILE 101           H        ILE 101  -9.755   4.011   3.440
  828    HA   ILE 101           HA       ILE 101 -11.382   1.659   4.059
  829    HB   ILE 101           HB       ILE 101  -8.725   1.843   2.652
  830   HG12  ILE 101          HG12      ILE 101 -10.741   2.322   1.360
  831   HG13  ILE 101          HG13      ILE 101  -9.923   0.862   0.808
  832   HG21  ILE 101          HG21      ILE 101  -8.676  -0.070   4.122
  833   HG22  ILE 101          HG22      ILE 101 -10.248  -0.598   3.521
  834   HG23  ILE 101          HG23      ILE 101  -8.849  -0.594   2.447
  835   HD11  ILE 101          HD11      ILE 101 -12.354   0.954   2.583
  836   HD12  ILE 101          HD12      ILE 101 -12.326   0.519   0.875
  837   HD13  ILE 101          HD13      ILE 101 -11.518  -0.507   2.057
  838    H    GLY 102           H        GLY 102  -8.136   2.815   4.514
  839    HA2  GLY 102           HA3      GLY 102  -7.704   1.890   7.102
  840    HA3  GLY 102           HA2      GLY 102  -7.319   0.618   5.966
  841    H    GLU 103           H        GLU 103  -5.105   0.745   6.576
  842    HA   GLU 103           HA       GLU 103  -3.538   2.875   5.558
  843    HB2  GLU 103           HB2      GLU 103  -4.785   3.992   7.341
  844    HB3  GLU 103           HB3      GLU 103  -4.135   2.856   8.514
  845    HG2  GLU 103           HG2      GLU 103  -1.872   3.676   7.956
  846    HG3  GLU 103           HG3      GLU 103  -2.606   4.892   6.916
  847    H    PHE 104           H        PHE 104  -1.362   2.771   6.396
  848    HA   PHE 104           HA       PHE 104  -0.334   0.094   7.133
  849    HB2  PHE 104           HB2      PHE 104   1.639   0.921   5.968
  850    HB3  PHE 104           HB3      PHE 104   0.272   1.496   4.988
  851    HD1  PHE 104           HD1      PHE 104  -0.720   3.842   5.644
  852    HD2  PHE 104           HD2      PHE 104   3.154   2.531   6.840
  853    HE1  PHE 104           HE1      PHE 104  -0.145   6.141   6.292
  854    HE2  PHE 104           HE2      PHE 104   3.735   4.834   7.475
  855    HZ   PHE 104           HZ       PHE 104   2.082   6.639   7.217
  856    H    LYS 105           H        LYS 105   1.471   0.128   8.863
  857    HA   LYS 105           HA       LYS 105   2.834   2.739   8.678
  858    HB2  LYS 105           HB2      LYS 105   1.565   2.125  11.034
  859    HB3  LYS 105           HB3      LYS 105   3.109   1.340  11.317
  860    HG2  LYS 105           HG2      LYS 105   3.250   3.497  12.262
  861    HG3  LYS 105           HG3      LYS 105   4.206   3.540  10.780
  862    HD2  LYS 105           HD2      LYS 105   2.701   5.533  11.179
  863    HD3  LYS 105           HD3      LYS 105   2.515   4.735   9.616
  864    HE2  LYS 105           HE2      LYS 105   0.547   3.595  10.355
  865    HE3  LYS 105           HE3      LYS 105   0.765   4.177  12.011
  866    HZ1  LYS 105           HZ1      LYS 105   0.259   6.382  11.328
  867    HZ2  LYS 105           HZ2      LYS 105  -0.945   5.377  10.666
  868    HZ3  LYS 105           HZ3      LYS 105   0.308   5.960   9.688
  869    H    VAL 106           H        VAL 106   4.776   2.290   7.736
  870    HA   VAL 106           HA       VAL 106   6.220  -0.070   8.651
  871    HB   VAL 106           HB       VAL 106   5.866   0.393   5.685
  872   HG11  VAL 106          HG11      VAL 106   6.813  -1.840   5.488
  873   HG12  VAL 106          HG12      VAL 106   7.889  -0.774   6.390
  874   HG13  VAL 106          HG13      VAL 106   6.909  -1.969   7.245
  875   HG21  VAL 106          HG21      VAL 106   3.679  -0.220   6.543
  876   HG22  VAL 106          HG22      VAL 106   4.374  -1.560   5.632
  877   HG23  VAL 106          HG23      VAL 106   4.373  -1.599   7.395
  878    HA   PRO 107           HA       PRO 107   8.922   3.508   7.964
  879    HB2  PRO 107           HB2      PRO 107  10.764   2.901   9.842
  880    HB3  PRO 107           HB3      PRO 107   9.257   3.740  10.228
  881    HG2  PRO 107           HG2      PRO 107   9.996   0.894  10.619
  882    HG3  PRO 107           HG3      PRO 107   8.991   1.931  11.641
  883    HD2  PRO 107           HD2      PRO 107   8.070   0.040   9.851
  884    HD3  PRO 107           HD3      PRO 107   7.104   1.398  10.462
  885    H    MET 108           H        MET 108  10.321   3.441   6.425
  886    HA   MET 108           HA       MET 108  10.973   1.078   5.080
  887    HB2  MET 108           HB2      MET 108  12.225   3.824   4.829
  888    HB3  MET 108           HB3      MET 108  12.350   2.534   3.641
  889    HG2  MET 108           HG2      MET 108   9.606   3.190   4.317
  890    HG3  MET 108           HG3      MET 108  10.507   4.560   3.675
  891    HE1  MET 108           HE1      MET 108  10.093   0.550   1.422
  892    HE2  MET 108           HE2      MET 108  11.180   0.788   2.790
  893    HE3  MET 108           HE3      MET 108   9.434   0.830   3.034
  894    H    ASN 109           H        ASN 109  12.563   2.987   7.421
  895    HA   ASN 109           HA       ASN 109  15.218   2.058   6.972
  896    HB2  ASN 109           HB2      ASN 109  15.573   3.085   9.315
  897    HB3  ASN 109           HB3      ASN 109  15.157   4.148   7.977
  898   HD21  ASN 109          HD21      ASN 109  13.207   5.190   7.961
  899   HD22  ASN 109          HD22      ASN 109  12.143   5.208   9.331
  900    H    THR 110           H        THR 110  12.525   0.798   8.740
  901    HA   THR 110           HA       THR 110  14.279  -0.698  10.544
  902    HB   THR 110           HB       THR 110  11.252  -0.654  10.491
  903    HG1  THR 110           HG1      THR 110  12.895   1.314  11.139
  904   HG21  THR 110          HG21      THR 110  13.200  -1.451  12.661
  905   HG22  THR 110          HG22      THR 110  12.243  -2.563  11.684
  906   HG23  THR 110          HG23      THR 110  11.441  -1.451  12.793
  907    H    VAL 111           H        VAL 111  12.289  -1.035   7.749
  908    HA   VAL 111           HA       VAL 111  12.461  -3.934   7.834
  909    HB   VAL 111           HB       VAL 111  11.190  -2.234   5.690
  910   HG11  VAL 111          HG11      VAL 111  10.002  -4.311   5.134
  911   HG12  VAL 111          HG12      VAL 111  11.749  -4.482   4.968
  912   HG13  VAL 111          HG13      VAL 111  10.928  -5.161   6.373
  913   HG21  VAL 111          HG21      VAL 111  10.120  -1.822   7.854
  914   HG22  VAL 111          HG22      VAL 111   9.055  -2.717   6.769
  915   HG23  VAL 111          HG23      VAL 111   9.895  -3.558   8.072
  916    H    ASP 112           H        ASP 112  14.175  -4.896   7.033
  917    HA   ASP 112           HA       ASP 112  16.050  -3.500   5.371
  918    HB2  ASP 112           HB2      ASP 112  16.954  -5.085   6.929
  919    HB3  ASP 112           HB3      ASP 112  15.931  -6.373   6.298
  920    H    PHE 113           H        PHE 113  15.540  -3.097   3.327
  921    HA   PHE 113           HA       PHE 113  14.343  -5.233   1.710
  922    HB2  PHE 113           HB2      PHE 113  14.553  -2.257   1.279
  923    HB3  PHE 113           HB3      PHE 113  14.048  -3.365   0.011
  924    HD1  PHE 113           HD2      PHE 113  11.926  -4.578   0.193
  925    HD2  PHE 113           HD1      PHE 113  13.092  -1.666   3.067
  926    HE1  PHE 113           HE2      PHE 113   9.604  -4.442   0.993
  927    HE2  PHE 113           HE1      PHE 113  10.772  -1.521   3.869
  928    HZ   PHE 113           HZ       PHE 113   9.023  -2.908   2.830
  929    H    GLY 114           H        GLY 114  16.721  -6.003   2.148
  930    HA2  GLY 114           HA3      GLY 114  18.694  -4.943   0.340
  931    HA3  GLY 114           HA2      GLY 114  18.825  -6.423   1.283
  932    H    HIS 115           H        HIS 115  16.842  -7.952   0.520
  933    HA   HIS 115           HA       HIS 115  17.170  -8.245  -2.388
  934    HB2  HIS 115           HB2      HIS 115  16.736 -10.440  -0.347
  935    HB3  HIS 115           HB3      HIS 115  16.902 -10.667  -2.086
  936    HD1  HIS 115           HD1      HIS 115  18.816 -10.925   0.888
  937    HD2  HIS 115           HD2      HIS 115  19.591  -9.538  -2.956
  938    HE1  HIS 115           HE1      HIS 115  21.320 -10.913   0.663
  939    HE2  HIS 115           HE2      HIS 115  21.757 -10.249  -1.729
  940    H    VAL 116           H        VAL 116  15.020 -10.423  -0.908
  941    HA   VAL 116           HA       VAL 116  12.746  -8.729  -1.707
  942    HB   VAL 116           HB       VAL 116  12.835 -11.753  -1.581
  943   HG11  VAL 116          HG11      VAL 116  10.680 -11.642  -2.745
  944   HG12  VAL 116          HG12      VAL 116  10.615 -10.856  -1.167
  945   HG13  VAL 116          HG13      VAL 116  10.715  -9.880  -2.633
  946   HG21  VAL 116          HG21      VAL 116  12.937  -9.916  -3.975
  947   HG22  VAL 116          HG22      VAL 116  14.229 -10.971  -3.399
  948   HG23  VAL 116          HG23      VAL 116  12.744 -11.669  -4.045
  949    H    THR 117           H        THR 117  11.563  -8.005  -0.052
  950    HA   THR 117           HA       THR 117  11.645  -9.408   2.500
  951    HB   THR 117           HB       THR 117  10.361  -6.770   1.750
  952    HG1  THR 117           HG1      THR 117  12.833  -7.567   2.834
  953   HG21  THR 117          HG21      THR 117   9.248  -7.895   3.657
  954   HG22  THR 117          HG22      THR 117  10.095  -6.431   4.147
  955   HG23  THR 117          HG23      THR 117  10.812  -8.008   4.475
  956    H    GLU 118           H        GLU 118  10.301 -11.063   2.552
  957    HA   GLU 118           HA       GLU 118   7.675 -10.716   1.250
  958    HB2  GLU 118           HB2      GLU 118   7.732 -13.331   1.340
  959    HB3  GLU 118           HB3      GLU 118   8.598 -12.475   0.074
  960    HG2  GLU 118           HG2      GLU 118  10.680 -12.734   1.278
  961    HG3  GLU 118           HG3      GLU 118   9.831 -13.527   2.610
  962    H    GLU 119           H        GLU 119   6.112 -10.303   2.624
  963    HA   GLU 119           HA       GLU 119   5.865 -11.919   4.960
  964    HB2  GLU 119           HB2      GLU 119   5.915  -9.876   6.506
  965    HB3  GLU 119           HB3      GLU 119   7.443 -10.600   6.029
  966    HG2  GLU 119           HG2      GLU 119   7.821  -8.326   5.860
  967    HG3  GLU 119           HG3      GLU 119   7.515  -8.834   4.205
  968    H    TRP 120           H        TRP 120   4.119 -11.256   6.248
  969    HA   TRP 120           HA       TRP 120   1.945 -10.419   4.509
  970    HB2  TRP 120           HB2      TRP 120   1.652 -11.445   7.329
  971    HB3  TRP 120           HB3      TRP 120   0.513 -11.571   5.991
  972    HD1  TRP 120           HD1      TRP 120   2.198 -13.908   7.906
  973    HE1  TRP 120           HE1      TRP 120   3.097 -15.943   6.595
  974    HE3  TRP 120           HE3      TRP 120   2.044 -11.961   3.199
  975    HZ2  TRP 120           HZ2      TRP 120   3.655 -16.617   3.901
  976    HZ3  TRP 120           HZ3      TRP 120   2.762 -13.331   1.313
  977    HH2  TRP 120           HH2      TRP 120   3.562 -15.628   1.648
  978    H    ARG 121           H        ARG 121   1.716  -8.207   4.499
  979    HA   ARG 121           HA       ARG 121   2.404  -6.884   7.032
  980    HB2  ARG 121           HB2      ARG 121   3.770  -6.251   5.125
  981    HB3  ARG 121           HB3      ARG 121   2.338  -5.865   4.188
  982    HG2  ARG 121           HG2      ARG 121   3.587  -3.904   5.098
  983    HG3  ARG 121           HG3      ARG 121   1.874  -3.948   5.500
  984    HD2  ARG 121           HD2      ARG 121   3.438  -3.292   7.373
  985    HD3  ARG 121           HD3      ARG 121   2.316  -4.597   7.726
  986    HE   ARG 121           HE       ARG 121   4.837  -5.551   6.780
  987   HH11  ARG 121          HH12      ARG 121   3.109  -4.462   9.634
  988   HH12  ARG 121          HH11      ARG 121   4.172  -5.291  10.734
  989   HH21  ARG 121          HH22      ARG 121   6.184  -6.659   8.201
  990   HH22  ARG 121          HH21      ARG 121   5.912  -6.553   9.916
  991    H    ASP 122           H        ASP 122   1.007  -5.536   8.009
  992    HA   ASP 122           HA       ASP 122  -1.745  -6.202   7.407
  993    HB2  ASP 122           HB2      ASP 122  -2.144  -5.441   9.731
  994    HB3  ASP 122           HB3      ASP 122  -0.900  -6.685   9.660
  995    H    LEU 123           H        LEU 123  -3.023  -4.857   6.620
  996    HA   LEU 123           HA       LEU 123  -2.543  -2.015   6.744
  997    HB2  LEU 123           HB2      LEU 123  -4.527  -3.742   5.271
  998    HB3  LEU 123           HB3      LEU 123  -4.604  -1.987   5.274
  999    HG   LEU 123           HG       LEU 123  -2.167  -3.507   4.352
 1000   HD11  LEU 123          HD11      LEU 123  -2.878  -3.239   2.087
 1001   HD12  LEU 123          HD12      LEU 123  -4.158  -4.070   2.969
 1002   HD13  LEU 123          HD13      LEU 123  -4.324  -2.353   2.593
 1003   HD21  LEU 123          HD21      LEU 123  -1.580  -1.398   3.292
 1004   HD22  LEU 123          HD22      LEU 123  -3.066  -0.662   3.895
 1005   HD23  LEU 123          HD23      LEU 123  -1.813  -1.171   5.028
 1006    H    GLN 124           H        GLN 124  -3.510  -0.869   8.292
 1007    HA   GLN 124           HA       GLN 124  -5.492  -2.134   9.984
 1008    HB2  GLN 124           HB2      GLN 124  -4.769  -0.533  11.711
 1009    HB3  GLN 124           HB3      GLN 124  -3.453  -1.571  11.172
 1010    HG2  GLN 124           HG2      GLN 124  -2.813   0.310   9.605
 1011    HG3  GLN 124           HG3      GLN 124  -3.935   1.310  10.536
 1012   HE21  GLN 124          HE21      GLN 124  -1.167  -0.755  10.756
 1013   HE22  GLN 124          HE22      GLN 124  -0.434   0.002  12.132
 1014    H    SER 125           H        SER 125  -7.315  -0.990  10.452
 1015    HA   SER 125           HA       SER 125  -8.194   0.727   8.349
 1016    HB2  SER 125           HB2      SER 125  -9.669  -0.965   9.456
 1017    HB3  SER 125           HB3      SER 125  -9.675   0.044  10.901
 1018    HG   SER 125           HG       SER 125 -10.534   0.927   8.333
 1019    H    ALA 126           H        ALA 126  -7.946   2.872   8.247
 1020    HA   ALA 126           HA       ALA 126  -7.376   4.330  10.712
 1021    HB1  ALA 126           HB1      ALA 126  -6.672   6.155   9.236
 1022    HB2  ALA 126           HB2      ALA 126  -5.820   4.659   8.854
 1023    HB3  ALA 126           HB3      ALA 126  -7.148   5.206   7.829
 1024    H    GLU 127           H        GLU 127  -8.611   6.074  11.343
 1025    HA   GLU 127           HA       GLU 127 -11.363   5.960  10.365
 1026    HB2  GLU 127           HB2      GLU 127 -10.919   5.569  12.780
 1027    HB3  GLU 127           HB3      GLU 127 -10.278   7.201  12.899
 1028    HG2  GLU 127           HG2      GLU 127 -12.455   8.104  12.270
 1029    HG3  GLU 127           HG3      GLU 127 -13.099   6.467  12.150
 1030    H    LYS 128           H        LYS 128 -11.102   7.233   8.539
 1031    HA   LYS 128           HA       LYS 128 -10.500  10.065   9.031
 1032    HB2  LYS 128           HB2      LYS 128  -9.086   8.518   7.400
 1033    HB3  LYS 128           HB3      LYS 128 -10.406   8.858   6.296
 1034    HG2  LYS 128           HG2      LYS 128  -8.752  10.970   7.661
 1035    HG3  LYS 128           HG3      LYS 128  -8.444  10.354   6.039
 1036    HD2  LYS 128           HD2      LYS 128 -10.761  11.081   5.418
 1037    HD3  LYS 128           HD3      LYS 128 -10.881  11.849   7.001
 1038    HE2  LYS 128           HE2      LYS 128 -10.255  13.491   5.344
 1039    HE3  LYS 128           HE3      LYS 128  -8.911  13.223   6.453
 1040    HZ1  LYS 128           HZ1      LYS 128  -9.166  11.959   3.777
 1041    HZ2  LYS 128           HZ2      LYS 128  -7.838  11.848   4.823
 1042    HZ3  LYS 128           HZ3      LYS 128  -8.229  13.331   4.108
  Start of MODEL   10
    1    H1   GLU   1           H1       GLU   1  -7.735  -0.933  16.546
    2    H2   GLU   1           H2       GLU   1  -6.558  -2.092  16.167
    3    H3   GLU   1           H3       GLU   1  -8.153  -2.576  16.467
    4    HA   GLU   1           HA       GLU   1  -8.893  -1.317  14.526
    5    HB2  GLU   1           HB2      GLU   1  -7.196  -0.599  12.885
    6    HB3  GLU   1           HB3      GLU   1  -7.116   0.309  14.382
    7    HG2  GLU   1           HG2      GLU   1  -5.315  -2.009  13.752
    8    HG3  GLU   1           HG3      GLU   1  -4.918  -0.335  13.367
    9    H    LYS   2           H        LYS   2  -8.716  -2.268  12.268
   10    HA   LYS   2           HA       LYS   2  -7.601  -4.736  11.762
   11    HB2  LYS   2           HB2      LYS   2  -9.497  -6.267  12.298
   12    HB3  LYS   2           HB3      LYS   2  -8.653  -5.636  13.703
   13    HG2  LYS   2           HG2      LYS   2 -10.889  -3.956  12.991
   14    HG3  LYS   2           HG3      LYS   2 -11.385  -5.625  13.261
   15    HD2  LYS   2           HD2      LYS   2  -9.811  -3.881  15.143
   16    HD3  LYS   2           HD3      LYS   2 -11.484  -4.421  15.350
   17    HE2  LYS   2           HE2      LYS   2  -9.097  -6.246  15.154
   18    HE3  LYS   2           HE3      LYS   2  -9.838  -5.737  16.676
   19    HZ1  LYS   2           HZ1      LYS   2 -10.700  -7.868  16.104
   20    HZ2  LYS   2           HZ2      LYS   2 -11.084  -7.373  14.530
   21    HZ3  LYS   2           HZ3      LYS   2 -11.946  -6.745  15.847
   22    H    LEU   3           H        LEU   3  -7.662  -3.874   9.757
   23    HA   LEU   3           HA       LEU   3 -10.117  -3.480   8.394
   24    HB2  LEU   3           HB2      LEU   3  -7.248  -3.467   7.525
   25    HB3  LEU   3           HB3      LEU   3  -8.580  -3.334   6.383
   26    HG   LEU   3           HG       LEU   3  -7.851  -1.405   8.570
   27   HD11  LEU   3          HD11      LEU   3  -6.427  -1.398   6.600
   28   HD12  LEU   3          HD12      LEU   3  -7.847  -1.217   5.567
   29   HD13  LEU   3          HD13      LEU   3  -7.405   0.066   6.692
   30   HD21  LEU   3          HD21      LEU   3  -9.668  -0.023   7.765
   31   HD22  LEU   3          HD22      LEU   3 -10.124  -1.263   6.594
   32   HD23  LEU   3          HD23      LEU   3 -10.291  -1.577   8.322
   33    H    GLY   4           H        GLY   4  -8.499  -6.185   9.393
   34    HA2  GLY   4           HA3      GLY   4  -8.347  -8.330   8.393
   35    HA3  GLY   4           HA2      GLY   4  -8.818  -7.605   6.850
   36    H    LYS   5           H        LYS   5  -6.862  -8.384   5.727
   37    HA   LYS   5           HA       LYS   5  -4.422  -7.174   6.738
   38    HB2  LYS   5           HB2      LYS   5  -4.172 -10.038   5.949
   39    HB3  LYS   5           HB3      LYS   5  -3.198  -9.087   7.053
   40    HG2  LYS   5           HG2      LYS   5  -5.016  -9.170   8.712
   41    HG3  LYS   5           HG3      LYS   5  -5.931 -10.210   7.619
   42    HD2  LYS   5           HD2      LYS   5  -4.867 -11.652   9.165
   43    HD3  LYS   5           HD3      LYS   5  -3.955 -11.785   7.663
   44    HE2  LYS   5           HE2      LYS   5  -2.404 -11.647   9.478
   45    HE3  LYS   5           HE3      LYS   5  -2.332 -10.136   8.571
   46    HZ1  LYS   5           HZ1      LYS   5  -3.805 -10.560  11.124
   47    HZ2  LYS   5           HZ2      LYS   5  -3.747  -9.102  10.253
   48    HZ3  LYS   5           HZ3      LYS   5  -2.336  -9.731  10.954
   49    H    LEU   6           H        LEU   6  -2.619  -7.678   5.264
   50    HA   LEU   6           HA       LEU   6  -3.377  -7.627   2.461
   51    HB2  LEU   6           HB2      LEU   6  -3.425  -5.343   2.967
   52    HB3  LEU   6           HB3      LEU   6  -2.199  -5.512   4.198
   53    HG   LEU   6           HG       LEU   6  -0.808  -6.019   1.880
   54   HD11  LEU   6          HD11      LEU   6  -2.483  -3.581   1.357
   55   HD12  LEU   6          HD12      LEU   6  -1.324  -4.376   0.285
   56   HD13  LEU   6          HD13      LEU   6  -2.864  -5.160   0.655
   57   HD21  LEU   6          HD21      LEU   6   0.275  -3.922   2.402
   58   HD22  LEU   6          HD22      LEU   6  -1.154  -3.345   3.265
   59   HD23  LEU   6          HD23      LEU   6  -0.200  -4.681   3.930
   60    H    GLN   7           H        GLN   7  -2.192  -9.353   1.887
   61    HA   GLN   7           HA       GLN   7   0.402  -9.815   3.091
   62    HB2  GLN   7           HB2      GLN   7   0.189 -11.794   1.291
   63    HB3  GLN   7           HB3      GLN   7  -0.547 -11.891   2.882
   64    HG2  GLN   7           HG2      GLN   7  -2.136 -10.743   0.648
   65    HG3  GLN   7           HG3      GLN   7  -1.884 -12.485   0.702
   66   HE21  GLN   7          HE21      GLN   7  -3.468  -9.762   2.201
   67   HE22  GLN   7          HE22      GLN   7  -4.503 -10.692   3.232
   68    H    TYR   8           H        TYR   8   2.287  -9.275   2.003
   69    HA   TYR   8           HA       TYR   8   1.932  -8.645  -0.825
   70    HB2  TYR   8           HB2      TYR   8   3.311  -6.590  -0.539
   71    HB3  TYR   8           HB3      TYR   8   1.665  -6.545   0.080
   72    HD1  TYR   8           HD2      TYR   8   4.167  -8.322   2.024
   73    HD2  TYR   8           HD1      TYR   8   2.368  -4.519   1.412
   74    HE1  TYR   8           HE2      TYR   8   5.002  -7.584   4.211
   75    HE2  TYR   8           HE1      TYR   8   3.189  -3.773   3.606
   76    HH   TYR   8           HH       TYR   8   3.919  -4.731   5.727
   77    H    SER   9           H        SER   9   3.925  -8.006  -1.950
   78    HA   SER   9           HA       SER   9   6.373  -9.220  -0.928
   79    HB2  SER   9           HB2      SER   9   6.750 -10.086  -3.352
   80    HB3  SER   9           HB3      SER   9   5.773 -11.025  -2.231
   81    HG   SER   9           HG       SER   9   4.443  -9.113  -3.766
   82    H    LEU  10           H        LEU  10   8.010  -7.987  -1.246
   83    HA   LEU  10           HA       LEU  10   7.637  -5.507  -2.749
   84    HB2  LEU  10           HB2      LEU  10   9.109  -5.588  -0.134
   85    HB3  LEU  10           HB3      LEU  10   8.327  -4.234  -0.907
   86    HG   LEU  10           HG       LEU  10   7.239  -4.842   1.205
   87   HD11  LEU  10          HD11      LEU  10   4.889  -5.200   0.486
   88   HD12  LEU  10          HD12      LEU  10   5.710  -3.875  -0.369
   89   HD13  LEU  10          HD13      LEU  10   5.484  -5.433  -1.165
   90   HD21  LEU  10          HD21      LEU  10   6.074  -6.861   1.556
   91   HD22  LEU  10          HD22      LEU  10   6.471  -7.409  -0.078
   92   HD23  LEU  10          HD23      LEU  10   7.750  -7.237   1.130
   93    H    ASP  11           H        ASP  11   9.399  -4.971  -3.960
   94    HA   ASP  11           HA       ASP  11  11.877  -6.532  -3.620
   95    HB2  ASP  11           HB2      ASP  11  10.324  -7.477  -5.377
   96    HB3  ASP  11           HB3      ASP  11  10.506  -5.972  -6.265
   97    H    TYR  12           H        TYR  12  13.732  -5.497  -4.964
   98    HA   TYR  12           HA       TYR  12  13.230  -2.674  -5.713
   99    HB2  TYR  12           HB2      TYR  12  15.043  -1.829  -4.520
  100    HB3  TYR  12           HB3      TYR  12  14.294  -2.932  -3.375
  101    HD1  TYR  12           HD1      TYR  12  15.299  -5.474  -3.767
  102    HD2  TYR  12           HD2      TYR  12  17.345  -1.807  -4.427
  103    HE1  TYR  12           HE1      TYR  12  17.446  -6.623  -3.442
  104    HE2  TYR  12           HE2      TYR  12  19.495  -2.948  -4.097
  105    HH   TYR  12           HH       TYR  12  20.367  -4.966  -2.982
  106    H    ASP  13           H        ASP  13  13.947  -2.203  -7.651
  107    HA   ASP  13           HA       ASP  13  16.078  -3.863  -8.810
  108    HB2  ASP  13           HB2      ASP  13  14.123  -3.177 -10.256
  109    HB3  ASP  13           HB3      ASP  13  14.644  -1.505 -10.070
  110    H    PHE  14           H        PHE  14  18.166  -3.175  -8.558
  111    HA   PHE  14           HA       PHE  14  18.311  -0.770  -6.944
  112    HB2  PHE  14           HB2      PHE  14  20.554  -1.524  -6.306
  113    HB3  PHE  14           HB3      PHE  14  19.342  -2.762  -6.010
  114    HD1  PHE  14           HD2      PHE  14  22.232  -1.798  -8.026
  115    HD2  PHE  14           HD1      PHE  14  19.331  -4.819  -7.274
  116    HE1  PHE  14           HE2      PHE  14  23.570  -3.403  -9.321
  117    HE2  PHE  14           HE1      PHE  14  20.659  -6.427  -8.577
  118    HZ   PHE  14           HZ       PHE  14  22.814  -5.738  -9.545
  119    H    GLN  15           H        GLN  15  19.161  -1.747 -10.205
  120    HA   GLN  15           HA       GLN  15  21.073   0.435 -10.218
  121    HB2  GLN  15           HB2      GLN  15  21.489  -0.247 -12.547
  122    HB3  GLN  15           HB3      GLN  15  21.728  -1.548 -11.402
  123    HG2  GLN  15           HG2      GLN  15  20.646  -2.534 -13.222
  124    HG3  GLN  15           HG3      GLN  15  19.381  -2.314 -12.014
  125   HE21  GLN  15          HE21      GLN  15  17.684  -0.980 -12.449
  126   HE22  GLN  15          HE22      GLN  15  17.476  -0.133 -13.947
  127    H    ASN  16           H        ASN  16  17.643   0.334 -10.616
  128    HA   ASN  16           HA       ASN  16  18.128   3.055 -11.535
  129    HB2  ASN  16           HB2      ASN  16  15.559   3.073 -11.559
  130    HB3  ASN  16           HB3      ASN  16  16.404   2.227 -12.842
  131   HD21  ASN  16          HD21      ASN  16  14.672   0.877 -13.279
  132   HD22  ASN  16          HD22      ASN  16  14.176  -0.372 -12.194
  133    H    ASN  17           H        ASN  17  17.931   1.200  -8.895
  134    HA   ASN  17           HA       ASN  17  17.726   1.361  -6.731
  135    HB2  ASN  17           HB2      ASN  17  18.996   3.820  -7.443
  136    HB3  ASN  17           HB3      ASN  17  17.865   4.076  -6.098
  137   HD21  ASN  17          HD21      ASN  17  19.228   4.198  -4.417
  138   HD22  ASN  17          HD22      ASN  17  20.373   2.982  -3.947
  139    H    GLN  18           H        GLN  18  15.418   0.946  -7.594
  140    HA   GLN  18           HA       GLN  18  13.828   2.892  -6.138
  141    HB2  GLN  18           HB2      GLN  18  11.974   2.422  -7.711
  142    HB3  GLN  18           HB3      GLN  18  13.273   3.329  -8.426
  143    HG2  GLN  18           HG2      GLN  18  12.661   1.845 -10.078
  144    HG3  GLN  18           HG3      GLN  18  14.040   1.050  -9.330
  145   HE21  GLN  18          HE21      GLN  18  10.957   1.130  -7.747
  146   HE22  GLN  18          HE22      GLN  18  10.580  -0.539  -7.964
  147    H    LEU  19           H        LEU  19  12.518   2.022  -4.715
  148    HA   LEU  19           HA       LEU  19  12.658  -0.810  -4.378
  149    HB2  LEU  19           HB2      LEU  19  11.370   1.397  -2.772
  150    HB3  LEU  19           HB3      LEU  19  11.353  -0.298  -2.310
  151    HG   LEU  19           HG       LEU  19  13.932   1.233  -2.758
  152   HD11  LEU  19          HD11      LEU  19  12.666   2.319  -0.975
  153   HD12  LEU  19          HD12      LEU  19  12.432   0.763  -0.176
  154   HD13  LEU  19          HD13      LEU  19  14.052   1.441  -0.327
  155   HD21  LEU  19          HD21      LEU  19  14.118  -1.183  -2.883
  156   HD22  LEU  19          HD22      LEU  19  14.825  -0.620  -1.370
  157   HD23  LEU  19          HD23      LEU  19  13.227  -1.374  -1.371
  158    H    LEU  20           H        LEU  20  10.670  -1.979  -4.123
  159    HA   LEU  20           HA       LEU  20   8.348  -0.962  -5.564
  160    HB2  LEU  20           HB2      LEU  20  10.236  -2.585  -6.767
  161    HB3  LEU  20           HB3      LEU  20   9.176  -3.772  -6.041
  162    HG   LEU  20           HG       LEU  20   8.542  -3.477  -8.315
  163   HD11  LEU  20          HD11      LEU  20   6.221  -2.824  -8.107
  164   HD12  LEU  20          HD12      LEU  20   6.725  -3.783  -6.715
  165   HD13  LEU  20          HD13      LEU  20   6.564  -2.034  -6.568
  166   HD21  LEU  20          HD21      LEU  20   8.216  -0.539  -7.741
  167   HD22  LEU  20          HD22      LEU  20   9.570  -1.259  -8.618
  168   HD23  LEU  20          HD23      LEU  20   7.936  -1.354  -9.279
  169    H    VAL  21           H        VAL  21   6.594  -1.540  -4.144
  170    HA   VAL  21           HA       VAL  21   7.239  -3.898  -2.536
  171    HB   VAL  21           HB       VAL  21   5.833  -2.870  -0.738
  172   HG11  VAL  21          HG11      VAL  21   8.334  -1.385  -1.498
  173   HG12  VAL  21          HG12      VAL  21   7.595  -1.387   0.103
  174   HG13  VAL  21          HG13      VAL  21   8.250  -2.880  -0.566
  175   HG21  VAL  21          HG21      VAL  21   6.144  -0.371  -2.371
  176   HG22  VAL  21          HG22      VAL  21   4.634  -1.221  -2.041
  177   HG23  VAL  21          HG23      VAL  21   5.518  -0.452  -0.723
  178    H    GLY  22           H        GLY  22   6.202  -5.036  -4.209
  179    HA2  GLY  22           HA3      GLY  22   3.622  -4.119  -5.188
  180    HA3  GLY  22           HA2      GLY  22   4.612  -5.483  -5.774
  181    H    ILE  23           H        ILE  23   1.879  -4.654  -3.818
  182    HA   ILE  23           HA       ILE  23   2.459  -6.657  -1.863
  183    HB   ILE  23           HB       ILE  23   0.098  -6.090  -1.091
  184   HG12  ILE  23          HG12      ILE  23   0.293  -4.438  -3.605
  185   HG13  ILE  23          HG13      ILE  23  -1.004  -5.515  -3.101
  186   HG21  ILE  23          HG21      ILE  23   0.677  -3.790  -0.429
  187   HG22  ILE  23          HG22      ILE  23   2.052  -4.876  -0.238
  188   HG23  ILE  23          HG23      ILE  23   1.982  -3.775  -1.615
  189   HD11  ILE  23          HD11      ILE  23  -0.331  -2.863  -1.853
  190   HD12  ILE  23          HD12      ILE  23  -1.674  -3.190  -2.948
  191   HD13  ILE  23          HD13      ILE  23  -1.634  -3.941  -1.354
  192    H    ILE  24           H        ILE  24  -0.270  -7.742  -1.503
  193    HA   ILE  24           HA       ILE  24  -0.326  -9.573  -3.829
  194    HB   ILE  24           HB       ILE  24  -0.746 -10.421  -1.000
  195   HG12  ILE  24          HG12      ILE  24   1.490 -10.984  -2.968
  196   HG13  ILE  24          HG13      ILE  24   1.616 -10.042  -1.486
  197   HG21  ILE  24          HG21      ILE  24  -0.784 -12.039  -3.544
  198   HG22  ILE  24          HG22      ILE  24  -0.920 -12.692  -1.912
  199   HG23  ILE  24          HG23      ILE  24  -2.184 -11.640  -2.548
  200   HD11  ILE  24          HD11      ILE  24   2.583 -12.268  -1.254
  201   HD12  ILE  24          HD12      ILE  24   1.215 -12.030  -0.165
  202   HD13  ILE  24          HD13      ILE  24   1.016 -12.986  -1.634
  203    H    GLN  25           H        GLN  25  -2.272  -9.270  -0.932
  204    HA   GLN  25           HA       GLN  25  -4.503  -8.176  -2.245
  205    HB2  GLN  25           HB2      GLN  25  -6.029 -10.123  -1.700
  206    HB3  GLN  25           HB3      GLN  25  -5.015 -10.280  -3.119
  207    HG2  GLN  25           HG2      GLN  25  -4.740 -12.342  -2.237
  208    HG3  GLN  25           HG3      GLN  25  -3.430 -11.510  -1.400
  209   HE21  GLN  25          HE21      GLN  25  -5.297 -10.002   0.211
  210   HE22  GLN  25          HE22      GLN  25  -5.793 -11.123   1.462
  211    H    ALA  26           H        ALA  26  -6.165  -7.609  -0.872
  212    HA   ALA  26           HA       ALA  26  -5.416  -7.695   1.962
  213    HB1  ALA  26           HB1      ALA  26  -6.886  -5.502   0.486
  214    HB2  ALA  26           HB2      ALA  26  -6.604  -5.554   2.227
  215    HB3  ALA  26           HB3      ALA  26  -5.241  -5.411   1.117
  216    H    ALA  27           H        ALA  27  -7.227  -7.772   3.358
  217    HA   ALA  27           HA       ALA  27  -9.473  -9.139   2.075
  218    HB1  ALA  27           HB1      ALA  27  -8.135  -9.906   4.652
  219    HB2  ALA  27           HB2      ALA  27  -9.506 -10.730   3.909
  220    HB3  ALA  27           HB3      ALA  27  -7.940 -10.723   3.101
  221    H    GLU  28           H        GLU  28 -11.355  -8.104   2.385
  222    HA   GLU  28           HA       GLU  28 -13.234  -7.646   3.608
  223    HB2  GLU  28           HB2      GLU  28 -11.528  -8.625   5.894
  224    HB3  GLU  28           HB3      GLU  28 -13.243  -8.267   6.030
  225    HG2  GLU  28           HG2      GLU  28 -13.802 -10.038   4.537
  226    HG3  GLU  28           HG3      GLU  28 -12.105 -10.309   4.140
  227    H    LEU  29           H        LEU  29 -11.698  -5.459   3.001
  228    HA   LEU  29           HA       LEU  29 -11.441  -3.855   5.419
  229    HB2  LEU  29           HB2      LEU  29 -11.202  -2.746   2.647
  230    HB3  LEU  29           HB3      LEU  29 -10.344  -2.290   4.111
  231    HG   LEU  29           HG       LEU  29  -9.846  -4.889   2.651
  232   HD11  LEU  29          HD11      LEU  29  -7.858  -3.854   1.747
  233   HD12  LEU  29          HD12      LEU  29  -9.301  -2.988   1.218
  234   HD13  LEU  29          HD13      LEU  29  -8.297  -2.320   2.506
  235   HD21  LEU  29          HD21      LEU  29  -7.781  -4.895   3.948
  236   HD22  LEU  29          HD22      LEU  29  -8.289  -3.415   4.761
  237   HD23  LEU  29          HD23      LEU  29  -9.204  -4.905   4.992
  238    HA   PRO  30           HA       PRO  30 -15.565  -2.460   5.813
  239    HB2  PRO  30           HB2      PRO  30 -14.310   0.251   5.925
  240    HB3  PRO  30           HB3      PRO  30 -15.529  -0.469   6.984
  241    HG2  PRO  30           HG2      PRO  30 -12.991  -0.361   7.748
  242    HG3  PRO  30           HG3      PRO  30 -13.976  -1.796   8.088
  243    HD2  PRO  30           HD2      PRO  30 -11.809  -1.416   6.093
  244    HD3  PRO  30           HD3      PRO  30 -12.309  -2.884   6.954
  245    H    ALA  31           H        ALA  31 -17.247  -1.657   4.719
  246    HA   ALA  31           HA       ALA  31 -16.786  -1.018   1.919
  247    HB1  ALA  31           HB1      ALA  31 -18.334  -2.813   2.556
  248    HB2  ALA  31           HB2      ALA  31 -19.334  -1.637   3.410
  249    HB3  ALA  31           HB3      ALA  31 -19.151  -1.532   1.659
  250    H    LEU  32           H        LEU  32 -16.923   1.021   1.108
  251    HA   LEU  32           HA       LEU  32 -19.001   2.682   2.359
  252    HB2  LEU  32           HB2      LEU  32 -17.728   4.781   1.756
  253    HB3  LEU  32           HB3      LEU  32 -17.317   3.933   3.227
  254    HG   LEU  32           HG       LEU  32 -15.366   4.848   2.151
  255   HD11  LEU  32          HD11      LEU  32 -13.945   2.967   2.217
  256   HD12  LEU  32          HD12      LEU  32 -15.213   2.743   3.421
  257   HD13  LEU  32          HD13      LEU  32 -15.281   1.870   1.891
  258   HD21  LEU  32          HD21      LEU  32 -15.984   4.962  -0.119
  259   HD22  LEU  32          HD22      LEU  32 -14.568   3.919  -0.008
  260   HD23  LEU  32          HD23      LEU  32 -16.169   3.210  -0.225
  261    H    ASP  33           H        ASP  33 -19.529   1.152   0.390
  262    HA   ASP  33           HA       ASP  33 -20.161   3.006  -1.766
  263    HB2  ASP  33           HB2      ASP  33 -18.532   1.992  -2.990
  264    HB3  ASP  33           HB3      ASP  33 -18.468   0.594  -1.928
  265    H    MET  34           H        MET  34 -21.989   2.301  -3.026
  266    HA   MET  34           HA       MET  34 -23.999   1.361  -1.189
  267    HB2  MET  34           HB2      MET  34 -24.071   2.670  -3.879
  268    HB3  MET  34           HB3      MET  34 -25.522   1.914  -3.237
  269    HG2  MET  34           HG2      MET  34 -25.575   4.243  -2.731
  270    HG3  MET  34           HG3      MET  34 -25.332   3.348  -1.234
  271    HE1  MET  34           HE1      MET  34 -23.318   6.585  -0.483
  272    HE2  MET  34           HE2      MET  34 -24.848   6.459  -1.351
  273    HE3  MET  34           HE3      MET  34 -24.562   5.466   0.078
  274    H    GLY  35           H        GLY  35 -22.810  -0.780  -1.361
  275    HA2  GLY  35           HA3      GLY  35 -24.733  -2.588  -2.461
  276    HA3  GLY  35           HA2      GLY  35 -23.191  -2.677  -3.311
  277    H    GLY  36           H        GLY  36 -23.211  -1.703  -0.052
  278    HA2  GLY  36           HA3      GLY  36 -22.029  -2.457   1.747
  279    HA3  GLY  36           HA2      GLY  36 -22.863  -3.986   1.436
  280    H    THR  37           H        THR  37 -20.666  -2.406  -0.707
  281    HA   THR  37           HA       THR  37 -18.453  -4.090   0.167
  282    HB   THR  37           HB       THR  37 -17.712  -4.156  -2.248
  283    HG1  THR  37           HG1      THR  37 -19.438  -2.594  -2.822
  284   HG21  THR  37          HG21      THR  37 -20.201  -5.714  -1.521
  285   HG22  THR  37          HG22      THR  37 -18.545  -6.156  -1.103
  286   HG23  THR  37          HG23      THR  37 -19.056  -6.142  -2.791
  287    H    SER  38           H        SER  38 -16.442  -3.178  -1.008
  288    HA   SER  38           HA       SER  38 -16.608  -0.267  -1.096
  289    HB2  SER  38           HB2      SER  38 -14.482  -0.193   0.112
  290    HB3  SER  38           HB3      SER  38 -15.681  -1.079   1.053
  291    HG   SER  38           HG       SER  38 -13.302  -1.888   0.238
  292    H    ASP  39           H        ASP  39 -14.739   0.663  -2.294
  293    HA   ASP  39           HA       ASP  39 -13.690  -1.194  -4.322
  294    HB2  ASP  39           HB2      ASP  39 -14.571   1.677  -4.534
  295    HB3  ASP  39           HB3      ASP  39 -13.361   1.045  -5.642
  296    HA   PRO  40           HA       PRO  40 -10.298   0.262  -1.473
  297    HB2  PRO  40           HB2      PRO  40  -9.303  -2.457  -2.035
  298    HB3  PRO  40           HB3      PRO  40  -9.553  -1.646  -0.486
  299    HG2  PRO  40           HG2      PRO  40 -11.189  -3.612  -1.327
  300    HG3  PRO  40           HG3      PRO  40 -11.794  -2.230  -0.395
  301    HD2  PRO  40           HD2      PRO  40 -11.929  -2.775  -3.324
  302    HD3  PRO  40           HD3      PRO  40 -13.155  -2.108  -2.223
  303    H    TYR  41           H        TYR  41  -8.096   0.648  -1.843
  304    HA   TYR  41           HA       TYR  41  -6.719  -0.125  -4.155
  305    HB2  TYR  41           HB2      TYR  41  -7.079   1.565  -5.621
  306    HB3  TYR  41           HB3      TYR  41  -8.498   1.922  -4.656
  307    HD1  TYR  41           HD2      TYR  41  -4.865   2.670  -4.343
  308    HD2  TYR  41           HD1      TYR  41  -8.823   4.216  -4.408
  309    HE1  TYR  41           HE2      TYR  41  -3.987   4.921  -3.922
  310    HE2  TYR  41           HE1      TYR  41  -7.955   6.474  -3.990
  311    HH   TYR  41           HH       TYR  41  -5.851   7.469  -2.916
  312    H    VAL  42           H        VAL  42  -4.603   0.030  -3.657
  313    HA   VAL  42           HA       VAL  42  -3.988   1.228  -1.089
  314    HB   VAL  42           HB       VAL  42  -2.539  -0.681  -2.899
  315   HG11  VAL  42          HG11      VAL  42  -0.684  -0.708  -1.306
  316   HG12  VAL  42          HG12      VAL  42  -0.859   0.874  -2.066
  317   HG13  VAL  42          HG13      VAL  42  -1.430   0.621  -0.417
  318   HG21  VAL  42          HG21      VAL  42  -4.271  -1.574  -1.429
  319   HG22  VAL  42          HG22      VAL  42  -2.674  -2.143  -0.945
  320   HG23  VAL  42          HG23      VAL  42  -3.466  -0.858  -0.033
  321    H    LYS  43           H        LYS  43  -3.508   3.327  -1.122
  322    HA   LYS  43           HA       LYS  43  -1.679   4.296  -3.194
  323    HB2  LYS  43           HB2      LYS  43  -2.056   6.539  -2.215
  324    HB3  LYS  43           HB3      LYS  43  -3.531   5.798  -2.816
  325    HG2  LYS  43           HG2      LYS  43  -4.072   5.175  -0.465
  326    HG3  LYS  43           HG3      LYS  43  -2.656   6.100   0.049
  327    HD2  LYS  43           HD2      LYS  43  -3.637   8.071  -1.161
  328    HD3  LYS  43           HD3      LYS  43  -5.109   7.122  -1.362
  329    HE2  LYS  43           HE2      LYS  43  -5.492   8.418   0.547
  330    HE3  LYS  43           HE3      LYS  43  -5.060   6.825   1.166
  331    HZ1  LYS  43           HZ1      LYS  43  -3.287   9.204   1.002
  332    HZ2  LYS  43           HZ2      LYS  43  -2.775   7.663   1.472
  333    HZ3  LYS  43           HZ3      LYS  43  -3.906   8.496   2.416
  334    H    VAL  44           H        VAL  44   0.399   4.279  -2.817
  335    HA   VAL  44           HA       VAL  44   1.263   3.952  -0.029
  336    HB   VAL  44           HB       VAL  44   1.810   2.118  -1.703
  337   HG11  VAL  44          HG11      VAL  44   3.784   2.471  -3.125
  338   HG12  VAL  44          HG12      VAL  44   2.412   3.464  -3.617
  339   HG13  VAL  44          HG13      VAL  44   3.747   4.187  -2.719
  340   HG21  VAL  44          HG21      VAL  44   2.923   2.325   0.446
  341   HG22  VAL  44          HG22      VAL  44   4.046   1.769  -0.794
  342   HG23  VAL  44          HG23      VAL  44   4.090   3.445  -0.255
  343    H    PHE  45           H        PHE  45   2.433   5.533   0.913
  344    HA   PHE  45           HA       PHE  45   3.930   7.281  -0.842
  345    HB2  PHE  45           HB2      PHE  45   2.949   9.330   0.165
  346    HB3  PHE  45           HB3      PHE  45   1.842   8.425  -0.847
  347    HD1  PHE  45           HD2      PHE  45   0.443   6.611   0.592
  348    HD2  PHE  45           HD1      PHE  45   2.064  10.265   2.051
  349    HE1  PHE  45           HE2      PHE  45  -1.186   6.594   2.433
  350    HE2  PHE  45           HE1      PHE  45   0.445  10.250   3.902
  351    HZ   PHE  45           HZ       PHE  45  -1.308   8.578   3.980
  352    H    LEU  46           H        LEU  46   4.952   9.035   0.593
  353    HA   LEU  46           HA       LEU  46   6.133   7.641   2.875
  354    HB2  LEU  46           HB2      LEU  46   7.503   9.271   0.762
  355    HB3  LEU  46           HB3      LEU  46   8.223   8.954   2.337
  356    HG   LEU  46           HG       LEU  46   7.466   6.896   0.277
  357   HD11  LEU  46          HD11      LEU  46  10.152   7.634   1.419
  358   HD12  LEU  46          HD12      LEU  46   9.821   6.436   0.163
  359   HD13  LEU  46          HD13      LEU  46   9.547   8.150  -0.157
  360   HD21  LEU  46          HD21      LEU  46   8.638   6.513   3.021
  361   HD22  LEU  46          HD22      LEU  46   6.992   6.101   2.535
  362   HD23  LEU  46          HD23      LEU  46   8.362   5.255   1.815
  363    H    LEU  47           H        LEU  47   7.012   8.980   4.600
  364    HA   LEU  47           HA       LEU  47   5.375  11.317   5.034
  365    HB2  LEU  47           HB2      LEU  47   5.905  11.053   7.210
  366    HB3  LEU  47           HB3      LEU  47   6.630   9.534   6.721
  367    HG   LEU  47           HG       LEU  47   8.244  12.067   6.726
  368   HD11  LEU  47          HD11      LEU  47   8.976  11.514   9.000
  369   HD12  LEU  47          HD12      LEU  47   7.250  11.876   8.948
  370   HD13  LEU  47          HD13      LEU  47   7.796  10.203   9.059
  371   HD21  LEU  47          HD21      LEU  47  10.102  10.535   7.028
  372   HD22  LEU  47          HD22      LEU  47   8.987   9.171   7.105
  373   HD23  LEU  47          HD23      LEU  47   9.160  10.086   5.605
  374    HA   PRO  48           HA       PRO  48   6.566  14.946   3.512
  375    HB2  PRO  48           HB2      PRO  48   8.835  15.119   5.455
  376    HB3  PRO  48           HB3      PRO  48   7.798  16.411   4.833
  377    HG2  PRO  48           HG2      PRO  48   7.305  14.940   7.152
  378    HG3  PRO  48           HG3      PRO  48   6.100  15.884   6.261
  379    HD2  PRO  48           HD2      PRO  48   6.064  13.096   6.622
  380    HD3  PRO  48           HD3      PRO  48   5.116  13.997   5.416
  381    H    ASP  49           H        ASP  49   8.634  12.408   3.005
  382    HA   ASP  49           HA       ASP  49  10.258  13.804   1.054
  383    HB2  ASP  49           HB2      ASP  49  11.254  11.790   1.927
  384    HB3  ASP  49           HB3      ASP  49   9.743  10.905   1.772
  385    H    LYS  50           H        LYS  50   8.119  11.033   0.687
  386    HA   LYS  50           HA       LYS  50   6.255  10.609  -0.420
  387    HB2  LYS  50           HB2      LYS  50   5.859  13.101   0.733
  388    HB3  LYS  50           HB3      LYS  50   5.416  13.353  -0.953
  389    HG2  LYS  50           HG2      LYS  50   4.229  11.425   1.026
  390    HG3  LYS  50           HG3      LYS  50   3.425  12.701   0.093
  391    HD2  LYS  50           HD2      LYS  50   4.814  10.395  -1.208
  392    HD3  LYS  50           HD3      LYS  50   3.130  10.272  -0.668
  393    HE2  LYS  50           HE2      LYS  50   4.242  12.226  -2.683
  394    HE3  LYS  50           HE3      LYS  50   3.210  10.839  -3.017
  395    HZ1  LYS  50           HZ1      LYS  50   2.473  13.299  -1.526
  396    HZ2  LYS  50           HZ2      LYS  50   1.479  11.927  -1.631
  397    HZ3  LYS  50           HZ3      LYS  50   1.873  12.798  -3.032
  398    H    LYS  51           H        LYS  51   8.422  10.375  -1.840
  399    HA   LYS  51           HA       LYS  51   8.096  11.967  -4.291
  400    HB2  LYS  51           HB2      LYS  51  10.017   9.992  -3.194
  401    HB3  LYS  51           HB3      LYS  51   9.960  10.175  -4.954
  402    HG2  LYS  51           HG2      LYS  51  10.554  12.303  -2.904
  403    HG3  LYS  51           HG3      LYS  51  11.686  11.580  -4.047
  404    HD2  LYS  51           HD2      LYS  51  10.390  12.514  -5.910
  405    HD3  LYS  51           HD3      LYS  51   9.285  13.264  -4.754
  406    HE2  LYS  51           HE2      LYS  51  10.868  14.915  -5.488
  407    HE3  LYS  51           HE3      LYS  51  11.216  14.510  -3.808
  408    HZ1  LYS  51           HZ1      LYS  51  12.950  12.965  -4.660
  409    HZ2  LYS  51           HZ2      LYS  51  13.262  14.598  -4.991
  410    HZ3  LYS  51           HZ3      LYS  51  12.680  13.581  -6.217
  411    H    LYS  52           H        LYS  52   5.951  10.229  -3.412
  412    HA   LYS  52           HA       LYS  52   5.712   8.438  -5.665
  413    HB2  LYS  52           HB2      LYS  52   5.078   6.598  -3.958
  414    HB3  LYS  52           HB3      LYS  52   6.770   6.924  -4.315
  415    HG2  LYS  52           HG2      LYS  52   6.553   8.569  -2.280
  416    HG3  LYS  52           HG3      LYS  52   5.206   7.508  -1.854
  417    HD2  LYS  52           HD2      LYS  52   7.280   6.785  -0.800
  418    HD3  LYS  52           HD3      LYS  52   6.684   5.582  -1.946
  419    HE2  LYS  52           HE2      LYS  52   9.092   5.862  -2.150
  420    HE3  LYS  52           HE3      LYS  52   8.270   6.380  -3.619
  421    HZ1  LYS  52           HZ1      LYS  52   8.509   8.677  -2.881
  422    HZ2  LYS  52           HZ2      LYS  52  10.014   7.921  -3.019
  423    HZ3  LYS  52           HZ3      LYS  52   9.329   8.169  -1.490
  424    H    LYS  53           H        LYS  53   3.754   9.848  -6.203
  425    HA   LYS  53           HA       LYS  53   1.526   8.978  -4.539
  426    HB2  LYS  53           HB2      LYS  53   1.157  11.115  -5.505
  427    HB3  LYS  53           HB3      LYS  53   1.703  10.576  -7.090
  428    HG2  LYS  53           HG2      LYS  53  -0.225   9.234  -7.378
  429    HG3  LYS  53           HG3      LYS  53  -0.765   9.536  -5.726
  430    HD2  LYS  53           HD2      LYS  53  -0.363  12.041  -7.021
  431    HD3  LYS  53           HD3      LYS  53  -1.333  11.019  -8.086
  432    HE2  LYS  53           HE2      LYS  53  -1.909  11.596  -5.184
  433    HE3  LYS  53           HE3      LYS  53  -2.728  12.337  -6.561
  434    HZ1  LYS  53           HZ1      LYS  53  -2.729   9.434  -5.913
  435    HZ2  LYS  53           HZ2      LYS  53  -3.543  10.164  -7.209
  436    HZ3  LYS  53           HZ3      LYS  53  -4.005  10.508  -5.614
  437    H    PHE  54           H        PHE  54   1.622   6.698  -4.661
  438    HA   PHE  54           HA       PHE  54   1.062   5.735  -7.362
  439    HB2  PHE  54           HB2      PHE  54   2.700   4.491  -5.235
  440    HB3  PHE  54           HB3      PHE  54   1.835   3.447  -6.370
  441    HD1  PHE  54           HD2      PHE  54   2.253   3.631  -8.792
  442    HD2  PHE  54           HD1      PHE  54   4.577   5.790  -5.955
  443    HE1  PHE  54           HE2      PHE  54   3.943   4.074 -10.522
  444    HE2  PHE  54           HE1      PHE  54   6.265   6.248  -7.688
  445    HZ   PHE  54           HZ       PHE  54   5.951   5.387  -9.974
  446    H    GLU  55           H        GLU  55  -0.128   3.525  -7.348
  447    HA   GLU  55           HA       GLU  55  -2.370   3.564  -5.531
  448    HB2  GLU  55           HB2      GLU  55  -3.025   5.486  -6.812
  449    HB3  GLU  55           HB3      GLU  55  -2.658   4.670  -8.326
  450    HG2  GLU  55           HG2      GLU  55  -4.472   2.974  -7.529
  451    HG3  GLU  55           HG3      GLU  55  -4.983   4.313  -6.498
  452    H    THR  56           H        THR  56  -2.521   1.319  -5.359
  453    HA   THR  56           HA       THR  56  -2.401  -0.297  -7.767
  454    HB   THR  56           HB       THR  56  -2.773  -2.126  -6.265
  455    HG1  THR  56           HG1      THR  56  -4.425  -0.408  -5.057
  456   HG21  THR  56          HG21      THR  56  -1.231  -1.700  -4.400
  457   HG22  THR  56          HG22      THR  56  -1.370   0.034  -4.685
  458   HG23  THR  56          HG23      THR  56  -0.613  -0.999  -5.897
  459    H    LYS  57           H        LYS  57  -4.282  -0.480  -9.118
  460    HA   LYS  57           HA       LYS  57  -6.792  -0.260  -7.640
  461    HB2  LYS  57           HB2      LYS  57  -7.994  -0.226  -9.725
  462    HB3  LYS  57           HB3      LYS  57  -6.728   0.982  -9.757
  463    HG2  LYS  57           HG2      LYS  57  -6.196  -1.671 -11.003
  464    HG3  LYS  57           HG3      LYS  57  -7.254  -0.536 -11.834
  465    HD2  LYS  57           HD2      LYS  57  -5.252   0.075 -12.742
  466    HD3  LYS  57           HD3      LYS  57  -5.259   1.131 -11.329
  467    HE2  LYS  57           HE2      LYS  57  -3.933  -0.557 -10.112
  468    HE3  LYS  57           HE3      LYS  57  -3.875  -1.534 -11.576
  469    HZ1  LYS  57           HZ1      LYS  57  -2.886   1.251 -11.507
  470    HZ2  LYS  57           HZ2      LYS  57  -2.552   0.041 -12.650
  471    HZ3  LYS  57           HZ3      LYS  57  -1.902  -0.063 -11.090
  472    H    VAL  58           H        VAL  58  -6.718  -2.576  -6.461
  473    HA   VAL  58           HA       VAL  58  -8.416  -3.727  -8.576
  474    HB   VAL  58           HB       VAL  58  -7.121  -5.519  -7.657
  475   HG11  VAL  58          HG11      VAL  58  -6.388  -4.497  -5.596
  476   HG12  VAL  58          HG12      VAL  58  -8.020  -4.601  -4.935
  477   HG13  VAL  58          HG13      VAL  58  -7.109  -6.073  -5.268
  478   HG21  VAL  58          HG21      VAL  58  -9.482  -6.002  -8.097
  479   HG22  VAL  58          HG22      VAL  58  -8.840  -6.992  -6.786
  480   HG23  VAL  58          HG23      VAL  58  -9.870  -5.609  -6.421
  481    H    HIS  59           H        HIS  59 -10.149  -2.142  -8.389
  482    HA   HIS  59           HA       HIS  59 -11.597  -2.675  -5.937
  483    HB2  HIS  59           HB2      HIS  59 -12.612  -0.313  -6.266
  484    HB3  HIS  59           HB3      HIS  59 -11.050  -0.499  -5.487
  485    HD1  HIS  59           HD1      HIS  59 -12.717   1.087  -8.376
  486    HD2  HIS  59           HD2      HIS  59  -8.831   0.335  -7.088
  487    HE1  HIS  59           HE1      HIS  59 -11.240   2.564  -9.776
  488    HE2  HIS  59           HE2      HIS  59  -8.890   2.125  -8.965
  489    H    ARG  60           H        ARG  60 -12.425  -4.389  -7.932
  490    HA   ARG  60           HA       ARG  60 -14.969  -3.031  -8.377
  491    HB2  ARG  60           HB2      ARG  60 -15.738  -5.107  -9.450
  492    HB3  ARG  60           HB3      ARG  60 -14.280  -4.486 -10.202
  493    HG2  ARG  60           HG2      ARG  60 -13.544  -6.582 -10.075
  494    HG3  ARG  60           HG3      ARG  60 -13.278  -6.245  -8.363
  495    HD2  ARG  60           HD2      ARG  60 -15.549  -7.072  -7.876
  496    HD3  ARG  60           HD3      ARG  60 -15.755  -7.466  -9.581
  497    HE   ARG  60           HE       ARG  60 -13.471  -8.789  -8.808
  498   HH11  ARG  60          HH12      ARG  60 -16.806  -8.717  -7.756
  499   HH12  ARG  60          HH11      ARG  60 -16.821 -10.368  -7.215
  500   HH21  ARG  60          HH22      ARG  60 -13.473 -10.986  -8.118
  501   HH22  ARG  60          HH21      ARG  60 -14.932 -11.665  -7.458
  502    H    LYS  61           H        LYS  61 -15.730  -2.739  -6.116
  503    HA   LYS  61           HA       LYS  61 -17.502  -3.391  -4.869
  504    HB2  LYS  61           HB2      LYS  61 -17.731  -5.625  -6.885
  505    HB3  LYS  61           HB3      LYS  61 -19.014  -4.988  -5.866
  506    HG2  LYS  61           HG2      LYS  61 -17.635  -3.076  -7.662
  507    HG3  LYS  61           HG3      LYS  61 -18.699  -4.271  -8.406
  508    HD2  LYS  61           HD2      LYS  61 -19.906  -2.205  -7.929
  509    HD3  LYS  61           HD3      LYS  61 -20.539  -3.550  -6.986
  510    HE2  LYS  61           HE2      LYS  61 -20.432  -1.635  -5.571
  511    HE3  LYS  61           HE3      LYS  61 -19.177  -2.762  -5.062
  512    HZ1  LYS  61           HZ1      LYS  61 -18.460  -0.651  -6.971
  513    HZ2  LYS  61           HZ2      LYS  61 -17.519  -1.362  -5.749
  514    HZ3  LYS  61           HZ3      LYS  61 -18.706  -0.219  -5.354
  515    H    THR  62           H        THR  62 -15.282  -4.154  -3.502
  516    HA   THR  62           HA       THR  62 -15.844  -6.764  -2.508
  517    HB   THR  62           HB       THR  62 -13.440  -7.489  -2.922
  518    HG1  THR  62           HG1      THR  62 -12.481  -5.711  -3.758
  519   HG21  THR  62          HG21      THR  62 -15.318  -7.435  -5.271
  520   HG22  THR  62          HG22      THR  62 -15.275  -8.649  -3.991
  521   HG23  THR  62          HG23      THR  62 -13.923  -8.502  -5.112
  522    H    LEU  63           H        LEU  63 -15.432  -6.588  -0.474
  523    HA   LEU  63           HA       LEU  63 -13.760  -4.550   0.595
  524    HB2  LEU  63           HB2      LEU  63 -14.779  -6.981   1.990
  525    HB3  LEU  63           HB3      LEU  63 -14.363  -5.431   2.649
  526    HG   LEU  63           HG       LEU  63 -16.744  -5.885   0.893
  527   HD11  LEU  63          HD11      LEU  63 -18.065  -5.590   2.913
  528   HD12  LEU  63          HD12      LEU  63 -16.991  -6.981   3.078
  529   HD13  LEU  63          HD13      LEU  63 -16.593  -5.458   3.875
  530   HD21  LEU  63          HD21      LEU  63 -17.339  -3.625   1.614
  531   HD22  LEU  63          HD22      LEU  63 -15.814  -3.514   2.497
  532   HD23  LEU  63          HD23      LEU  63 -15.805  -3.655   0.741
  533    H    ASN  64           H        ASN  64 -13.311  -7.617  -0.745
  534    HA   ASN  64           HA       ASN  64 -10.834  -7.965   0.827
  535    HB2  ASN  64           HB2      ASN  64 -12.859  -9.581   1.169
  536    HB3  ASN  64           HB3      ASN  64 -12.359 -10.258  -0.372
  537   HD21  ASN  64          HD21      ASN  64  -9.570 -10.169  -0.112
  538   HD22  ASN  64          HD22      ASN  64  -9.124 -11.232   1.173
  539    HA   PRO  65           HA       PRO  65  -9.105  -8.298  -3.257
  540    HB2  PRO  65           HB2      PRO  65  -9.274  -6.022  -4.418
  541    HB3  PRO  65           HB3      PRO  65 -10.822  -6.804  -4.026
  542    HG2  PRO  65           HG2      PRO  65  -9.369  -4.659  -2.510
  543    HG3  PRO  65           HG3      PRO  65 -11.081  -4.731  -2.929
  544    HD2  PRO  65           HD2      PRO  65  -9.800  -5.613  -0.554
  545    HD3  PRO  65           HD3      PRO  65 -11.501  -5.889  -1.012
  546    H    VAL  66           H        VAL  66  -6.992  -8.283  -3.161
  547    HA   VAL  66           HA       VAL  66  -5.881  -5.825  -3.759
  548    HB   VAL  66           HB       VAL  66  -4.512  -6.993  -1.378
  549   HG11  VAL  66          HG11      VAL  66  -2.821  -7.063  -3.141
  550   HG12  VAL  66          HG12      VAL  66  -3.132  -5.359  -3.474
  551   HG13  VAL  66          HG13      VAL  66  -2.477  -5.847  -1.911
  552   HG21  VAL  66          HG21      VAL  66  -4.991  -4.197  -2.383
  553   HG22  VAL  66          HG22      VAL  66  -5.958  -5.026  -1.163
  554   HG23  VAL  66          HG23      VAL  66  -4.271  -4.631  -0.832
  555    H    PHE  67           H        PHE  67  -3.757  -6.153  -4.723
  556    HA   PHE  67           HA       PHE  67  -4.908  -7.588  -6.950
  557    HB2  PHE  67           HB2      PHE  67  -4.491  -5.092  -7.065
  558    HB3  PHE  67           HB3      PHE  67  -2.781  -5.488  -7.229
  559    HD1  PHE  67           HD2      PHE  67  -6.089  -5.761  -8.802
  560    HD2  PHE  67           HD1      PHE  67  -1.908  -6.382  -9.276
  561    HE1  PHE  67           HE2      PHE  67  -6.419  -6.119 -11.213
  562    HE2  PHE  67           HE1      PHE  67  -2.231  -6.744 -11.687
  563    HZ   PHE  67           HZ       PHE  67  -4.488  -6.613 -12.659
  564    H    ASN  68           H        ASN  68  -2.016  -7.855  -5.012
  565    HA   ASN  68           HA       ASN  68   0.136  -8.366  -5.399
  566    HB2  ASN  68           HB2      ASN  68  -1.052 -10.435  -6.597
  567    HB3  ASN  68           HB3      ASN  68  -0.375  -9.637  -8.016
  568   HD21  ASN  68          HD21      ASN  68   1.813  -9.588  -8.334
  569   HD22  ASN  68          HD22      ASN  68   2.918 -10.526  -7.391
  570    H    GLU  69           H        GLU  69  -0.448  -6.142  -5.774
  571    HA   GLU  69           HA       GLU  69   1.313  -5.064  -7.733
  572    HB2  GLU  69           HB2      GLU  69  -0.807  -5.129  -9.060
  573    HB3  GLU  69           HB3      GLU  69  -1.610  -4.244  -7.766
  574    HG2  GLU  69           HG2      GLU  69   0.199  -2.447  -8.175
  575    HG3  GLU  69           HG3      GLU  69   0.428  -3.269  -9.721
  576    H    GLN  70           H        GLN  70   2.229  -4.415  -5.547
  577    HA   GLN  70           HA       GLN  70   1.013  -1.747  -5.367
  578    HB2  GLN  70           HB2      GLN  70   1.749  -2.958  -3.251
  579    HB3  GLN  70           HB3      GLN  70   3.363  -2.592  -3.745
  580    HG2  GLN  70           HG2      GLN  70   1.185  -0.675  -2.990
  581    HG3  GLN  70           HG3      GLN  70   2.719  -0.968  -2.166
  582   HE21  GLN  70          HE21      GLN  70   4.701  -0.491  -3.470
  583   HE22  GLN  70          HE22      GLN  70   4.614   0.875  -4.514
  584    H    PHE  71           H        PHE  71   1.919  -0.271  -6.478
  585    HA   PHE  71           HA       PHE  71   4.212  -1.023  -8.058
  586    HB2  PHE  71           HB2      PHE  71   1.944  -0.024  -8.982
  587    HB3  PHE  71           HB3      PHE  71   2.766   1.495  -8.633
  588    HD1  PHE  71           HD2      PHE  71   3.102  -1.684 -10.507
  589    HD2  PHE  71           HD1      PHE  71   4.395   2.344 -10.068
  590    HE1  PHE  71           HE2      PHE  71   4.328  -1.850 -12.635
  591    HE2  PHE  71           HE1      PHE  71   5.620   2.189 -12.195
  592    HZ   PHE  71           HZ       PHE  71   5.628   0.037 -13.453
  593    H    THR  72           H        THR  72   5.802  -0.639  -6.389
  594    HA   THR  72           HA       THR  72   7.830   0.468  -6.565
  595    HB   THR  72           HB       THR  72   6.203   2.718  -7.735
  596    HG1  THR  72           HG1      THR  72   6.687   0.427  -8.780
  597   HG21  THR  72          HG21      THR  72   8.362   3.546  -8.588
  598   HG22  THR  72          HG22      THR  72   9.189   2.262  -7.705
  599   HG23  THR  72          HG23      THR  72   8.324   3.522  -6.824
  600    H    PHE  73           H        PHE  73   8.843   1.259  -4.922
  601    HA   PHE  73           HA       PHE  73   7.787   3.614  -3.603
  602    HB2  PHE  73           HB2      PHE  73   9.472   1.375  -2.693
  603    HB3  PHE  73           HB3      PHE  73  10.103   2.960  -2.259
  604    HD1  PHE  73           HD1      PHE  73   8.244   4.588  -1.297
  605    HD2  PHE  73           HD2      PHE  73   8.103   0.353  -1.198
  606    HE1  PHE  73           HE1      PHE  73   6.703   4.692   0.609
  607    HE2  PHE  73           HE2      PHE  73   6.554   0.443   0.711
  608    HZ   PHE  73           HZ       PHE  73   5.856   2.618   1.612
  609    H    LYS  74           H        LYS  74   8.462   5.300  -4.801
  610    HA   LYS  74           HA       LYS  74  10.869   5.248  -6.342
  611    HB2  LYS  74           HB2      LYS  74   9.040   6.450  -7.256
  612    HB3  LYS  74           HB3      LYS  74   8.741   7.304  -5.755
  613    HG2  LYS  74           HG2      LYS  74   9.613   8.924  -7.147
  614    HG3  LYS  74           HG3      LYS  74  10.994   8.438  -6.167
  615    HD2  LYS  74           HD2      LYS  74  10.474   7.256  -8.887
  616    HD3  LYS  74           HD3      LYS  74  11.404   8.736  -8.669
  617    HE2  LYS  74           HE2      LYS  74  12.899   7.451  -7.115
  618    HE3  LYS  74           HE3      LYS  74  12.039   5.992  -7.598
  619    HZ1  LYS  74           HZ1      LYS  74  12.751   6.322  -9.862
  620    HZ2  LYS  74           HZ2      LYS  74  14.106   6.342  -8.839
  621    HZ3  LYS  74           HZ3      LYS  74  13.496   7.795  -9.459
  622    H    VAL  75           H        VAL  75  12.006   4.646  -4.261
  623    HA   VAL  75           HA       VAL  75  13.496   6.976  -3.485
  624    HB   VAL  75           HB       VAL  75  13.594   5.754  -1.117
  625   HG11  VAL  75          HG11      VAL  75  13.138   8.124  -1.500
  626   HG12  VAL  75          HG12      VAL  75  11.463   7.738  -1.894
  627   HG13  VAL  75          HG13      VAL  75  12.070   7.463  -0.262
  628   HG21  VAL  75          HG21      VAL  75  11.314   5.132  -0.385
  629   HG22  VAL  75          HG22      VAL  75  10.778   5.248  -2.060
  630   HG23  VAL  75          HG23      VAL  75  11.973   4.036  -1.598
  631    HA   PRO  76           HA       PRO  76  16.626   3.675  -4.212
  632    HB2  PRO  76           HB2      PRO  76  18.060   6.008  -2.950
  633    HB3  PRO  76           HB3      PRO  76  18.631   4.896  -4.210
  634    HG2  PRO  76           HG2      PRO  76  17.776   7.191  -5.032
  635    HG3  PRO  76           HG3      PRO  76  17.062   5.733  -5.795
  636    HD2  PRO  76           HD2      PRO  76  15.921   7.438  -3.566
  637    HD3  PRO  76           HD3      PRO  76  15.137   6.903  -5.073
  638    H    TYR  77           H        TYR  77  17.714   2.321  -2.699
  639    HA   TYR  77           HA       TYR  77  16.430   2.159  -0.202
  640    HB2  TYR  77           HB2      TYR  77  18.004   0.337   0.321
  641    HB3  TYR  77           HB3      TYR  77  17.251   0.166  -1.262
  642    HD1  TYR  77           HD1      TYR  77  20.396   0.907   0.511
  643    HD2  TYR  77           HD2      TYR  77  18.573   0.212  -3.268
  644    HE1  TYR  77           HE1      TYR  77  22.621   0.677  -0.515
  645    HE2  TYR  77           HE2      TYR  77  20.789  -0.030  -4.301
  646    HH   TYR  77           HH       TYR  77  23.608  -0.442  -2.548
  647    H    SER  78           H        SER  78  19.553   3.498  -1.119
  648    HA   SER  78           HA       SER  78  20.501   4.238   1.402
  649    HB2  SER  78           HB2      SER  78  21.604   6.124   0.063
  650    HB3  SER  78           HB3      SER  78  21.946   4.475  -0.465
  651    HG   SER  78           HG       SER  78  20.913   6.450  -1.887
  652    H    GLU  79           H        GLU  79  17.974   5.559  -0.553
  653    HA   GLU  79           HA       GLU  79  17.742   8.076   0.880
  654    HB2  GLU  79           HB2      GLU  79  17.364   7.816  -1.607
  655    HB3  GLU  79           HB3      GLU  79  15.948   6.851  -1.223
  656    HG2  GLU  79           HG2      GLU  79  15.145   8.973  -1.747
  657    HG3  GLU  79           HG3      GLU  79  15.062   8.858   0.009
  658    H    LEU  80           H        LEU  80  16.493   4.915   0.852
  659    HA   LEU  80           HA       LEU  80  13.940   5.278   1.945
  660    HB2  LEU  80           HB2      LEU  80  14.038   3.196   1.087
  661    HB3  LEU  80           HB3      LEU  80  15.768   3.076   1.339
  662    HG   LEU  80           HG       LEU  80  13.993   2.792   3.721
  663   HD11  LEU  80          HD11      LEU  80  12.897   1.399   2.063
  664   HD12  LEU  80          HD12      LEU  80  14.438   0.634   1.665
  665   HD13  LEU  80          HD13      LEU  80  13.723   0.405   3.262
  666   HD21  LEU  80          HD21      LEU  80  15.717   1.244   4.428
  667   HD22  LEU  80          HD22      LEU  80  16.510   1.365   2.857
  668   HD23  LEU  80          HD23      LEU  80  16.455   2.766   3.929
  669    H    GLY  81           H        GLY  81  17.097   5.024   3.399
  670    HA2  GLY  81           HA3      GLY  81  16.601   4.187   5.946
  671    HA3  GLY  81           HA2      GLY  81  17.817   5.381   5.529
  672    H    GLY  82           H        GLY  82  16.442   7.616   4.933
  673    HA2  GLY  82           HA3      GLY  82  15.462   8.541   7.444
  674    HA3  GLY  82           HA2      GLY  82  15.412   9.423   5.928
  675    H    LYS  83           H        LYS  83  13.878   7.086   4.731
  676    HA   LYS  83           HA       LYS  83  11.426   8.508   5.192
  677    HB2  LYS  83           HB2      LYS  83  11.911   6.217   3.293
  678    HB3  LYS  83           HB3      LYS  83  10.599   7.388   3.239
  679    HG2  LYS  83           HG2      LYS  83  13.511   7.844   2.659
  680    HG3  LYS  83           HG3      LYS  83  12.135   8.018   1.566
  681    HD2  LYS  83           HD2      LYS  83  11.482  10.024   2.487
  682    HD3  LYS  83           HD3      LYS  83  12.231   9.674   4.045
  683    HE2  LYS  83           HE2      LYS  83  13.446  11.429   2.887
  684    HE3  LYS  83           HE3      LYS  83  14.444   9.986   3.048
  685    HZ1  LYS  83           HZ1      LYS  83  13.030  10.916   0.602
  686    HZ2  LYS  83           HZ2      LYS  83  13.822   9.426   0.741
  687    HZ3  LYS  83           HZ3      LYS  83  14.708  10.859   0.865
  688    H    THR  84           H        THR  84   9.560   7.674   5.903
  689    HA   THR  84           HA       THR  84   9.568   4.996   7.000
  690    HB   THR  84           HB       THR  84   8.094   5.941   8.887
  691    HG1  THR  84           HG1      THR  84   8.965   8.201   7.599
  692   HG21  THR  84          HG21      THR  84  11.013   6.727   8.894
  693   HG22  THR  84          HG22      THR  84  10.386   5.126   9.286
  694   HG23  THR  84          HG23      THR  84   9.992   6.505  10.313
  695    H    LEU  85           H        LEU  85   8.056   4.021   5.947
  696    HA   LEU  85           HA       LEU  85   6.476   5.676   4.202
  697    HB2  LEU  85           HB2      LEU  85   6.265   3.895   2.829
  698    HB3  LEU  85           HB3      LEU  85   7.714   3.400   3.692
  699    HG   LEU  85           HG       LEU  85   5.742   2.472   5.278
  700   HD11  LEU  85          HD11      LEU  85   3.994   2.958   3.682
  701   HD12  LEU  85          HD12      LEU  85   4.856   2.065   2.429
  702   HD13  LEU  85          HD13      LEU  85   4.196   1.211   3.826
  703   HD21  LEU  85          HD21      LEU  85   6.374   0.273   4.427
  704   HD22  LEU  85          HD22      LEU  85   7.142   1.050   3.044
  705   HD23  LEU  85          HD23      LEU  85   7.770   1.323   4.667
  706    H    VAL  86           H        VAL  86   4.444   5.955   4.203
  707    HA   VAL  86           HA       VAL  86   2.788   4.271   5.931
  708    HB   VAL  86           HB       VAL  86   1.118   6.057   6.083
  709   HG11  VAL  86          HG11      VAL  86   3.846   6.925   7.041
  710   HG12  VAL  86          HG12      VAL  86   2.296   7.473   7.678
  711   HG13  VAL  86          HG13      VAL  86   2.778   5.786   7.863
  712   HG21  VAL  86          HG21      VAL  86   1.725   8.366   5.478
  713   HG22  VAL  86          HG22      VAL  86   3.217   7.774   4.746
  714   HG23  VAL  86          HG23      VAL  86   1.658   7.308   4.066
  715    H    MET  87           H        MET  87   1.295   3.183   4.949
  716    HA   MET  87           HA       MET  87   0.702   3.845   2.143
  717    HB2  MET  87           HB2      MET  87   2.024   1.758   2.373
  718    HB3  MET  87           HB3      MET  87   0.788   1.094   3.433
  719    HG2  MET  87           HG2      MET  87  -0.722   1.711   1.311
  720    HG3  MET  87           HG3      MET  87   0.814   1.407   0.505
  721    HE1  MET  87           HE1      MET  87  -2.230  -0.027   2.343
  722    HE2  MET  87           HE2      MET  87  -1.717  -1.636   2.849
  723    HE3  MET  87           HE3      MET  87  -1.045  -0.209   3.638
  724    H    ALA  88           H        ALA  88  -1.528   3.526   1.522
  725    HA   ALA  88           HA       ALA  88  -3.345   3.348   3.807
  726    HB1  ALA  88           HB1      ALA  88  -3.104   5.752   2.004
  727    HB2  ALA  88           HB2      ALA  88  -4.540   5.431   3.003
  728    HB3  ALA  88           HB3      ALA  88  -2.956   5.700   3.759
  729    H    VAL  89           H        VAL  89  -4.652   1.791   3.178
  730    HA   VAL  89           HA       VAL  89  -5.375   1.564   0.409
  731    HB   VAL  89           HB       VAL  89  -5.327  -0.461   1.716
  732   HG11  VAL  89          HG11      VAL  89  -5.842   0.332   3.902
  733   HG12  VAL  89          HG12      VAL  89  -7.470   0.791   3.401
  734   HG13  VAL  89          HG13      VAL  89  -7.011  -0.910   3.460
  735   HG21  VAL  89          HG21      VAL  89  -7.557  -1.357   1.157
  736   HG22  VAL  89          HG22      VAL  89  -8.106   0.289   0.848
  737   HG23  VAL  89          HG23      VAL  89  -6.836  -0.418  -0.151
  738    H    TYR  90           H        TYR  90  -6.712   2.826  -0.545
  739    HA   TYR  90           HA       TYR  90  -8.555   4.457   1.058
  740    HB2  TYR  90           HB2      TYR  90  -6.659   5.674   0.003
  741    HB3  TYR  90           HB3      TYR  90  -7.165   5.072  -1.564
  742    HD1  TYR  90           HD2      TYR  90  -9.228   5.939  -2.606
  743    HD2  TYR  90           HD1      TYR  90  -7.731   7.564   1.019
  744    HE1  TYR  90           HE2      TYR  90 -10.697   7.889  -2.883
  745    HE2  TYR  90           HE1      TYR  90  -9.204   9.515   0.763
  746    HH   TYR  90           HH       TYR  90 -11.722   9.614  -1.583
  747    H    ASP  91           H        ASP  91 -10.576   4.355   0.544
  748    HA   ASP  91           HA       ASP  91 -11.385   2.385  -1.434
  749    HB2  ASP  91           HB2      ASP  91 -11.959   2.562   1.136
  750    HB3  ASP  91           HB3      ASP  91 -13.315   3.483   0.472
  751    H    PHE  92           H        PHE  92 -12.444   2.882  -3.211
  752    HA   PHE  92           HA       PHE  92 -13.032   5.648  -3.773
  753    HB2  PHE  92           HB2      PHE  92 -12.134   3.948  -5.446
  754    HB3  PHE  92           HB3      PHE  92 -13.749   3.251  -5.465
  755    HD1  PHE  92           HD2      PHE  92 -12.339   6.709  -5.613
  756    HD2  PHE  92           HD1      PHE  92 -14.945   3.815  -7.325
  757    HE1  PHE  92           HE2      PHE  92 -13.029   8.344  -7.317
  758    HE2  PHE  92           HE1      PHE  92 -15.641   5.445  -9.032
  759    HZ   PHE  92           HZ       PHE  92 -14.626   7.702  -9.059
  760    H    ASP  93           H        ASP  93 -14.836   6.561  -3.044
  761    HA   ASP  93           HA       ASP  93 -16.931   4.868  -1.950
  762    HB2  ASP  93           HB2      ASP  93 -15.781   6.837  -0.804
  763    HB3  ASP  93           HB3      ASP  93 -16.658   7.870  -1.909
  764    H    ARG  94           H        ARG  94 -16.294   6.291  -4.824
  765    HA   ARG  94           HA       ARG  94 -17.412   6.613  -6.744
  766    HB2  ARG  94           HB2      ARG  94 -19.462   4.895  -5.362
  767    HB3  ARG  94           HB3      ARG  94 -19.446   5.260  -7.084
  768    HG2  ARG  94           HG2      ARG  94 -17.239   4.190  -7.272
  769    HG3  ARG  94           HG3      ARG  94 -17.309   3.788  -5.554
  770    HD2  ARG  94           HD2      ARG  94 -17.970   1.904  -6.997
  771    HD3  ARG  94           HD3      ARG  94 -19.264   2.419  -5.915
  772    HE   ARG  94           HE       ARG  94 -19.226   3.456  -8.652
  773   HH11  ARG  94          HH12      ARG  94 -20.689   1.412  -6.214
  774   HH12  ARG  94          HH11      ARG  94 -22.159   1.172  -7.130
  775   HH21  ARG  94          HH22      ARG  94 -21.165   3.191  -9.836
  776   HH22  ARG  94          HH21      ARG  94 -22.430   2.184  -9.186
  777    H    PHE  95           H        PHE  95 -18.964   7.822  -3.896
  778    HA   PHE  95           HA       PHE  95 -20.615   9.574  -5.557
  779    HB2  PHE  95           HB2      PHE  95 -21.899   7.476  -4.878
  780    HB3  PHE  95           HB3      PHE  95 -21.813   8.082  -3.227
  781    HD1  PHE  95           HD1      PHE  95 -23.115   8.784  -6.608
  782    HD2  PHE  95           HD2      PHE  95 -23.252   9.797  -2.476
  783    HE1  PHE  95           HE1      PHE  95 -25.120  10.150  -7.009
  784    HE2  PHE  95           HE2      PHE  95 -25.260  11.158  -2.872
  785    HZ   PHE  95           HZ       PHE  95 -26.196  11.334  -5.145
  786    H    SER  96           H        SER  96 -20.310   8.797  -2.051
  787    HA   SER  96           HA       SER  96 -20.255  11.652  -1.541
  788    HB2  SER  96           HB2      SER  96 -20.465  11.088   0.814
  789    HB3  SER  96           HB3      SER  96 -21.652  10.178  -0.112
  790    HG   SER  96           HG       SER  96 -19.540   8.629  -0.015
  791    H    LYS  97           H        LYS  97 -18.599  11.730   0.722
  792    HA   LYS  97           HA       LYS  97 -16.070  11.950  -0.506
  793    HB2  LYS  97           HB2      LYS  97 -16.638  11.856   2.460
  794    HB3  LYS  97           HB3      LYS  97 -15.242  12.578   1.669
  795    HG2  LYS  97           HG2      LYS  97 -18.092  13.516   1.459
  796    HG3  LYS  97           HG3      LYS  97 -16.795  14.286   2.378
  797    HD2  LYS  97           HD2      LYS  97 -15.597  14.797   0.358
  798    HD3  LYS  97           HD3      LYS  97 -16.747  13.868  -0.608
  799    HE2  LYS  97           HE2      LYS  97 -17.389  16.343   0.988
  800    HE3  LYS  97           HE3      LYS  97 -17.144  16.290  -0.756
  801    HZ1  LYS  97           HZ1      LYS  97 -19.267  14.785   0.690
  802    HZ2  LYS  97           HZ2      LYS  97 -19.070  14.899  -0.989
  803    HZ3  LYS  97           HZ3      LYS  97 -19.502  16.271  -0.093
  804    H    HIS  98           H        HIS  98 -14.549  10.522  -0.800
  805    HA   HIS  98           HA       HIS  98 -15.039   7.780  -0.316
  806    HB2  HIS  98           HB2      HIS  98 -12.312   8.829  -0.994
  807    HB3  HIS  98           HB3      HIS  98 -13.110   7.367  -1.559
  808    HD1  HIS  98           HD1      HIS  98 -12.045  10.472  -2.779
  809    HD2  HIS  98           HD2      HIS  98 -15.535   8.268  -3.250
  810    HE1  HIS  98           HE1      HIS  98 -13.120  11.348  -4.878
  811    HE2  HIS  98           HE2      HIS  98 -15.353  10.182  -4.980
  812    H    ASP  99           H        ASP  99 -14.769   6.746   1.504
  813    HA   ASP  99           HA       ASP  99 -13.231   7.938   3.646
  814    HB2  ASP  99           HB2      ASP  99 -15.467   6.872   3.986
  815    HB3  ASP  99           HB3      ASP  99 -14.746   5.313   3.593
  816    H    ILE 100           H        ILE 100 -11.031   7.562   3.848
  817    HA   ILE 100           HA       ILE 100  -9.721   5.276   2.861
  818    HB   ILE 100           HB       ILE 100  -8.902   6.871   5.301
  819   HG12  ILE 100          HG12      ILE 100  -8.245   7.507   2.418
  820   HG13  ILE 100          HG13      ILE 100  -9.426   8.383   3.387
  821   HG21  ILE 100          HG21      ILE 100  -6.622   6.266   4.564
  822   HG22  ILE 100          HG22      ILE 100  -7.617   4.859   4.946
  823   HG23  ILE 100          HG23      ILE 100  -7.326   5.303   3.264
  824   HD11  ILE 100          HD11      ILE 100  -6.488   8.171   3.997
  825   HD12  ILE 100          HD12      ILE 100  -7.287   9.553   3.245
  826   HD13  ILE 100          HD13      ILE 100  -7.680   9.103   4.903
  827    H    ILE 101           H        ILE 101  -9.760   3.259   3.640
  828    HA   ILE 101           HA       ILE 101 -11.436   2.749   5.926
  829    HB   ILE 101           HB       ILE 101 -11.032   0.334   5.396
  830   HG12  ILE 101          HG12      ILE 101  -9.165   1.575   3.509
  831   HG13  ILE 101          HG13      ILE 101  -9.192  -0.056   4.162
  832   HG21  ILE 101          HG21      ILE 101 -12.483   0.368   3.418
  833   HG22  ILE 101          HG22      ILE 101 -13.008   1.516   4.648
  834   HG23  ILE 101          HG23      ILE 101 -12.153   2.089   3.217
  835   HD11  ILE 101          HD11      ILE 101 -10.861  -0.713   2.523
  836   HD12  ILE 101          HD12      ILE 101 -10.880   0.926   1.870
  837   HD13  ILE 101          HD13      ILE 101  -9.422  -0.058   1.740
  838    H    GLY 102           H        GLY 102  -8.066   2.269   4.964
  839    HA2  GLY 102           HA3      GLY 102  -7.193   2.750   7.602
  840    HA3  GLY 102           HA2      GLY 102  -7.138   1.034   7.255
  841    H    GLU 103           H        GLU 103  -4.902   0.978   7.470
  842    HA   GLU 103           HA       GLU 103  -3.190   2.196   5.547
  843    HB2  GLU 103           HB2      GLU 103  -3.663   4.241   6.604
  844    HB3  GLU 103           HB3      GLU 103  -3.718   3.516   8.203
  845    HG2  GLU 103           HG2      GLU 103  -1.264   3.153   8.032
  846    HG3  GLU 103           HG3      GLU 103  -1.280   4.093   6.539
  847    H    PHE 104           H        PHE 104  -0.910   1.804   6.125
  848    HA   PHE 104           HA       PHE 104  -0.451   0.081   8.454
  849    HB2  PHE 104           HB2      PHE 104   0.049  -1.806   7.358
  850    HB3  PHE 104           HB3      PHE 104  -0.729  -1.087   5.960
  851    HD1  PHE 104           HD1      PHE 104   2.534  -1.721   7.579
  852    HD2  PHE 104           HD2      PHE 104   0.511  -0.519   4.040
  853    HE1  PHE 104           HE1      PHE 104   4.623  -1.956   6.304
  854    HE2  PHE 104           HE2      PHE 104   2.599  -0.746   2.764
  855    HZ   PHE 104           HZ       PHE 104   4.658  -1.467   3.894
  856    H    LYS 105           H        LYS 105   1.665   0.241   9.265
  857    HA   LYS 105           HA       LYS 105   3.109   2.605   8.238
  858    HB2  LYS 105           HB2      LYS 105   1.670   3.115  10.191
  859    HB3  LYS 105           HB3      LYS 105   2.497   1.871  11.111
  860    HG2  LYS 105           HG2      LYS 105   3.488   3.816  11.856
  861    HG3  LYS 105           HG3      LYS 105   4.626   3.249  10.632
  862    HD2  LYS 105           HD2      LYS 105   4.240   5.640  10.411
  863    HD3  LYS 105           HD3      LYS 105   3.619   4.775   9.002
  864    HE2  LYS 105           HE2      LYS 105   2.011   6.444   9.656
  865    HE3  LYS 105           HE3      LYS 105   1.355   4.849  10.013
  866    HZ1  LYS 105           HZ1      LYS 105   2.546   6.752  11.958
  867    HZ2  LYS 105           HZ2      LYS 105   2.053   5.171  12.339
  868    HZ3  LYS 105           HZ3      LYS 105   0.911   6.314  11.826
  869    H    VAL 106           H        VAL 106   5.175   2.082   7.732
  870    HA   VAL 106           HA       VAL 106   6.692   0.406   9.539
  871    HB   VAL 106           HB       VAL 106   6.172  -0.420   6.682
  872   HG11  VAL 106          HG11      VAL 106   8.475  -1.314   8.419
  873   HG12  VAL 106          HG12      VAL 106   8.037  -1.994   6.853
  874   HG13  VAL 106          HG13      VAL 106   8.604  -0.327   6.963
  875   HG21  VAL 106          HG21      VAL 106   6.218  -1.974   9.269
  876   HG22  VAL 106          HG22      VAL 106   4.768  -1.404   8.440
  877   HG23  VAL 106          HG23      VAL 106   5.804  -2.610   7.677
  878    HA   PRO 107           HA       PRO 107   9.542   3.667   8.288
  879    HB2  PRO 107           HB2      PRO 107  11.519   2.659   9.889
  880    HB3  PRO 107           HB3      PRO 107  10.279   3.795  10.441
  881    HG2  PRO 107           HG2      PRO 107  10.303   0.802  10.645
  882    HG3  PRO 107           HG3      PRO 107   9.932   1.993  11.912
  883    HD2  PRO 107           HD2      PRO 107   7.939   0.810  10.669
  884    HD3  PRO 107           HD3      PRO 107   7.900   2.571  10.905
  885    H    MET 108           H        MET 108  10.653   3.477   6.569
  886    HA   MET 108           HA       MET 108  11.113   1.066   5.232
  887    HB2  MET 108           HB2      MET 108  12.304   3.799   4.715
  888    HB3  MET 108           HB3      MET 108  12.273   2.460   3.569
  889    HG2  MET 108           HG2      MET 108   9.695   2.603   3.934
  890    HG3  MET 108           HG3      MET 108  10.071   4.225   4.518
  891    HE1  MET 108           HE1      MET 108  11.622   2.008   1.649
  892    HE2  MET 108           HE2      MET 108   9.873   1.814   1.518
  893    HE3  MET 108           HE3      MET 108  10.765   2.664   0.255
  894    H    ASN 109           H        ASN 109  12.888   2.930   7.473
  895    HA   ASN 109           HA       ASN 109  15.510   2.014   6.821
  896    HB2  ASN 109           HB2      ASN 109  15.918   2.783   9.301
  897    HB3  ASN 109           HB3      ASN 109  15.627   3.967   8.029
  898   HD21  ASN 109          HD21      ASN 109  13.754   5.139   8.015
  899   HD22  ASN 109          HD22      ASN 109  12.656   5.156   9.363
  900    H    THR 110           H        THR 110  12.884   0.660   8.589
  901    HA   THR 110           HA       THR 110  14.604  -1.162  10.062
  902    HB   THR 110           HB       THR 110  11.581  -0.995  10.080
  903    HG1  THR 110           HG1      THR 110  13.411   0.715  11.041
  904   HG21  THR 110          HG21      THR 110  12.428  -3.103  10.957
  905   HG22  THR 110          HG22      THR 110  11.818  -2.107  12.279
  906   HG23  THR 110          HG23      THR 110  13.556  -2.244  12.000
  907    H    VAL 111           H        VAL 111  12.591  -1.046   7.226
  908    HA   VAL 111           HA       VAL 111  12.632  -3.935   7.009
  909    HB   VAL 111           HB       VAL 111  10.546  -2.941   6.366
  910   HG11  VAL 111          HG11      VAL 111  10.325  -1.403   4.479
  911   HG12  VAL 111          HG12      VAL 111  11.306  -0.713   5.773
  912   HG13  VAL 111          HG13      VAL 111  12.081  -1.348   4.322
  913   HG21  VAL 111          HG21      VAL 111  12.021  -3.883   3.910
  914   HG22  VAL 111          HG22      VAL 111  11.244  -4.915   5.113
  915   HG23  VAL 111          HG23      VAL 111  10.269  -3.838   4.113
  916    H    ASP 112           H        ASP 112  14.358  -4.868   6.275
  917    HA   ASP 112           HA       ASP 112  16.265  -3.439   4.644
  918    HB2  ASP 112           HB2      ASP 112  17.059  -4.916   6.447
  919    HB3  ASP 112           HB3      ASP 112  16.360  -6.303   5.614
  920    H    PHE 113           H        PHE 113  16.024  -3.277   2.550
  921    HA   PHE 113           HA       PHE 113  14.654  -5.364   1.049
  922    HB2  PHE 113           HB2      PHE 113  15.467  -2.544   0.402
  923    HB3  PHE 113           HB3      PHE 113  15.004  -3.672  -0.867
  924    HD1  PHE 113           HD2      PHE 113  12.729  -4.512  -1.016
  925    HD2  PHE 113           HD1      PHE 113  13.844  -1.650   1.927
  926    HE1  PHE 113           HE2      PHE 113  10.357  -4.002  -0.617
  927    HE2  PHE 113           HE1      PHE 113  11.473  -1.133   2.324
  928    HZ   PHE 113           HZ       PHE 113   9.729  -2.307   1.052
  929    H    GLY 114           H        GLY 114  16.550  -6.741   1.635
  930    HA2  GLY 114           HA3      GLY 114  18.992  -6.379   0.186
  931    HA3  GLY 114           HA2      GLY 114  18.471  -7.844   1.010
  932    H    HIS 115           H        HIS 115  16.254  -8.620  -0.191
  933    HA   HIS 115           HA       HIS 115  16.696  -8.452  -3.061
  934    HB2  HIS 115           HB2      HIS 115  15.684 -10.866  -3.136
  935    HB3  HIS 115           HB3      HIS 115  17.402 -10.624  -2.874
  936    HD1  HIS 115           HD1      HIS 115  18.342 -11.216  -0.535
  937    HD2  HIS 115           HD2      HIS 115  14.283 -11.994  -1.000
  938    HE1  HIS 115           HE1      HIS 115  17.723 -12.743   1.363
  939    HE2  HIS 115           HE2      HIS 115  15.333 -13.398   0.900
  940    H    VAL 116           H        VAL 116  14.166 -10.493  -2.094
  941    HA   VAL 116           HA       VAL 116  12.222  -8.312  -2.378
  942    HB   VAL 116           HB       VAL 116  12.069  -9.821  -4.274
  943   HG11  VAL 116          HG11      VAL 116  11.480 -12.190  -3.997
  944   HG12  VAL 116          HG12      VAL 116  13.063 -11.809  -3.322
  945   HG13  VAL 116          HG13      VAL 116  11.678 -12.022  -2.253
  946   HG21  VAL 116          HG21      VAL 116   9.720 -10.464  -4.116
  947   HG22  VAL 116          HG22      VAL 116   9.777 -10.268  -2.364
  948   HG23  VAL 116          HG23      VAL 116   9.994  -8.869  -3.414
  949    H    THR 117           H        THR 117  10.860  -7.984  -0.726
  950    HA   THR 117           HA       THR 117  11.014  -9.794   1.555
  951    HB   THR 117           HB       THR 117   9.764  -7.051   1.281
  952    HG1  THR 117           HG1      THR 117  12.272  -8.008   1.854
  953   HG21  THR 117          HG21      THR 117  10.163  -8.793   3.724
  954   HG22  THR 117          HG22      THR 117   8.618  -8.338   3.008
  955   HG23  THR 117          HG23      THR 117   9.642  -7.110   3.753
  956    H    GLU 118           H        GLU 118   9.513 -11.248   1.893
  957    HA   GLU 118           HA       GLU 118   6.767 -10.691   1.001
  958    HB2  GLU 118           HB2      GLU 118   8.175 -13.367   1.082
  959    HB3  GLU 118           HB3      GLU 118   6.459 -13.151   0.769
  960    HG2  GLU 118           HG2      GLU 118   6.976 -11.885  -1.246
  961    HG3  GLU 118           HG3      GLU 118   8.699 -12.081  -0.929
  962    H    GLU 119           H        GLU 119   5.575 -10.229   2.737
  963    HA   GLU 119           HA       GLU 119   5.457 -12.227   4.803
  964    HB2  GLU 119           HB2      GLU 119   5.623 -10.553   6.628
  965    HB3  GLU 119           HB3      GLU 119   7.151 -10.836   5.797
  966    HG2  GLU 119           HG2      GLU 119   7.101  -8.767   4.742
  967    HG3  GLU 119           HG3      GLU 119   5.370  -8.568   5.001
  968    H    TRP 120           H        TRP 120   3.682 -11.817   6.213
  969    HA   TRP 120           HA       TRP 120   1.464 -10.742   4.655
  970    HB2  TRP 120           HB2      TRP 120   1.316 -12.278   7.261
  971    HB3  TRP 120           HB3      TRP 120   0.023 -12.020   6.094
  972    HD1  TRP 120           HD1      TRP 120   1.219 -14.904   7.140
  973    HE1  TRP 120           HE1      TRP 120   1.933 -16.623   5.359
  974    HE3  TRP 120           HE3      TRP 120   1.819 -11.750   3.164
  975    HZ2  TRP 120           HZ2      TRP 120   2.663 -16.629   2.628
  976    HZ3  TRP 120           HZ3      TRP 120   2.530 -12.675   1.007
  977    HH2  TRP 120           HH2      TRP 120   2.946 -15.075   0.741
  978    H    ARG 121           H        ARG 121   1.095  -8.635   4.949
  979    HA   ARG 121           HA       ARG 121   1.608  -7.540   7.625
  980    HB2  ARG 121           HB2      ARG 121   2.938  -6.629   5.804
  981    HB3  ARG 121           HB3      ARG 121   1.484  -6.273   4.886
  982    HG2  ARG 121           HG2      ARG 121   2.463  -4.272   5.925
  983    HG3  ARG 121           HG3      ARG 121   0.819  -4.584   6.483
  984    HD2  ARG 121           HD2      ARG 121   2.334  -3.914   8.307
  985    HD3  ARG 121           HD3      ARG 121   1.651  -5.520   8.543
  986    HE   ARG 121           HE       ARG 121   3.974  -6.146   7.419
  987   HH11  ARG 121          HH12      ARG 121   3.302  -3.749   9.892
  988   HH12  ARG 121          HH11      ARG 121   4.824  -3.987  10.705
  989   HH21  ARG 121          HH22      ARG 121   5.949  -6.471   8.479
  990   HH22  ARG 121          HH21      ARG 121   6.334  -5.540   9.907
  991    H    ASP 122           H        ASP 122   0.041  -6.094   8.550
  992    HA   ASP 122           HA       ASP 122  -2.656  -7.095   7.889
  993    HB2  ASP 122           HB2      ASP 122  -1.701  -7.493  10.189
  994    HB3  ASP 122           HB3      ASP 122  -1.665  -5.750  10.431
  995    H    LEU 123           H        LEU 123  -4.231  -5.725   7.342
  996    HA   LEU 123           HA       LEU 123  -3.509  -2.945   6.964
  997    HB2  LEU 123           HB2      LEU 123  -5.145  -4.733   5.576
  998    HB3  LEU 123           HB3      LEU 123  -6.269  -3.647   6.369
  999    HG   LEU 123           HG       LEU 123  -6.005  -2.322   4.592
 1000   HD11  LEU 123          HD11      LEU 123  -4.698  -1.096   6.262
 1001   HD12  LEU 123          HD12      LEU 123  -3.228  -1.888   5.688
 1002   HD13  LEU 123          HD13      LEU 123  -4.114  -0.796   4.621
 1003   HD21  LEU 123          HD21      LEU 123  -5.025  -4.149   3.299
 1004   HD22  LEU 123          HD22      LEU 123  -4.265  -2.611   2.896
 1005   HD23  LEU 123          HD23      LEU 123  -3.430  -3.760   3.939
 1006    H    GLN 124           H        GLN 124  -3.832  -1.589   8.602
 1007    HA   GLN 124           HA       GLN 124  -5.789  -2.331  10.637
 1008    HB2  GLN 124           HB2      GLN 124  -4.575  -0.858  12.152
 1009    HB3  GLN 124           HB3      GLN 124  -3.491  -2.050  11.456
 1010    HG2  GLN 124           HG2      GLN 124  -2.582  -0.417   9.951
 1011    HG3  GLN 124           HG3      GLN 124  -3.745   0.788  10.500
 1012   HE21  GLN 124          HE21      GLN 124  -2.244   2.225  11.223
 1013   HE22  GLN 124          HE22      GLN 124  -1.234   1.947  12.601
 1014    H    SER 125           H        SER 125  -7.381  -0.913  11.218
 1015    HA   SER 125           HA       SER 125  -8.116   0.973   9.178
 1016    HB2  SER 125           HB2      SER 125  -9.778  -0.528  10.324
 1017    HB3  SER 125           HB3      SER 125  -9.555   0.434  11.786
 1018    HG   SER 125           HG       SER 125 -10.222   1.682   9.341
 1019    H    ALA 126           H        ALA 126  -7.216   2.966   9.165
 1020    HA   ALA 126           HA       ALA 126  -6.830   4.294  11.748
 1021    HB1  ALA 126           HB1      ALA 126  -5.983   5.147   8.978
 1022    HB2  ALA 126           HB2      ALA 126  -5.614   6.001  10.476
 1023    HB3  ALA 126           HB3      ALA 126  -4.948   4.392  10.189
 1024    H    GLU 127           H        GLU 127  -8.029   6.021  12.340
 1025    HA   GLU 127           HA       GLU 127 -10.350   6.630  10.671
 1026    HB2  GLU 127           HB2      GLU 127  -9.848   7.257  13.589
 1027    HB3  GLU 127           HB3      GLU 127 -11.334   7.596  12.713
 1028    HG2  GLU 127           HG2      GLU 127 -11.964   5.656  13.669
 1029    HG3  GLU 127           HG3      GLU 127 -11.183   4.985  12.240
 1030    H    LYS 128           H        LYS 128  -9.243   7.981   9.220
 1031    HA   LYS 128           HA       LYS 128  -8.319  10.535  10.350
 1032    HB2  LYS 128           HB2      LYS 128  -6.651   9.090   9.085
 1033    HB3  LYS 128           HB3      LYS 128  -7.602   9.400   7.640
 1034    HG2  LYS 128           HG2      LYS 128  -6.566  11.684   9.266
 1035    HG3  LYS 128           HG3      LYS 128  -5.502  10.833   8.147
 1036    HD2  LYS 128           HD2      LYS 128  -6.877  11.392   6.286
 1037    HD3  LYS 128           HD3      LYS 128  -8.164  11.990   7.334
 1038    HE2  LYS 128           HE2      LYS 128  -5.410  13.205   7.155
 1039    HE3  LYS 128           HE3      LYS 128  -6.812  13.784   6.258
 1040    HZ1  LYS 128           HZ1      LYS 128  -6.525  13.696   9.214
 1041    HZ2  LYS 128           HZ2      LYS 128  -7.935  14.157   8.394
 1042    HZ3  LYS 128           HZ3      LYS 128  -6.525  15.086   8.245
  Start of MODEL   11
    1    H1   GLU   1           H1       GLU   1 -10.285  -0.507  15.074
    2    H2   GLU   1           H2       GLU   1  -9.323  -1.895  14.977
    3    H3   GLU   1           H3       GLU   1 -11.009  -2.034  14.918
    4    HB2  GLU   1           HB2      GLU   1  -8.919  -0.500  11.614
    5    HB3  GLU   1           HB3      GLU   1  -9.228   0.609  12.939
    6    HG2  GLU   1           HG2      GLU   1  -7.519  -1.826  13.303
    7    HG3  GLU   1           HG3      GLU   1  -6.869  -0.337  12.615
    8    H    LYS   2           H        LYS   2 -10.393  -1.936  10.662
    9    HA   LYS   2           HA       LYS   2 -10.439  -4.826  11.229
   10    HB2  LYS   2           HB2      LYS   2 -12.077  -3.319   9.183
   11    HB3  LYS   2           HB3      LYS   2 -12.142  -5.052   9.497
   12    HG2  LYS   2           HG2      LYS   2 -13.743  -4.665  10.963
   13    HG3  LYS   2           HG3      LYS   2 -12.560  -3.819  11.958
   14    HD2  LYS   2           HD2      LYS   2 -13.326  -2.020   9.948
   15    HD3  LYS   2           HD3      LYS   2 -14.814  -2.767  10.536
   16    HE2  LYS   2           HE2      LYS   2 -14.005  -2.278  12.868
   17    HE3  LYS   2           HE3      LYS   2 -12.717  -1.319  12.136
   18    HZ1  LYS   2           HZ1      LYS   2 -14.520   0.122  12.731
   19    HZ2  LYS   2           HZ2      LYS   2 -15.646  -0.854  11.927
   20    HZ3  LYS   2           HZ3      LYS   2 -14.495   0.012  11.037
   21    H    LEU   3           H        LEU   3  -8.478  -5.325  10.510
   22    HA   LEU   3           HA       LEU   3  -7.242  -3.678   8.658
   23    HB2  LEU   3           HB2      LEU   3  -5.952  -6.098   9.843
   24    HB3  LEU   3           HB3      LEU   3  -5.188  -4.644   9.248
   25    HG   LEU   3           HG       LEU   3  -4.885  -4.267  11.434
   26   HD11  LEU   3          HD11      LEU   3  -6.369  -2.461  10.754
   27   HD12  LEU   3          HD12      LEU   3  -7.756  -3.397  11.305
   28   HD13  LEU   3          HD13      LEU   3  -6.546  -2.856  12.465
   29   HD21  LEU   3          HD21      LEU   3  -6.208  -5.192  13.245
   30   HD22  LEU   3          HD22      LEU   3  -7.367  -5.834  12.083
   31   HD23  LEU   3          HD23      LEU   3  -5.712  -6.441  12.101
   32    H    GLY   4           H        GLY   4  -8.407  -6.987   8.774
   33    HA2  GLY   4           HA3      GLY   4  -8.260  -8.625   7.131
   34    HA3  GLY   4           HA2      GLY   4  -8.013  -7.301   5.976
   35    H    LYS   5           H        LYS   5  -6.344  -8.892   5.100
   36    HA   LYS   5           HA       LYS   5  -3.967  -7.510   5.999
   37    HB2  LYS   5           HB2      LYS   5  -4.210 -10.424   6.227
   38    HB3  LYS   5           HB3      LYS   5  -2.715  -9.845   5.536
   39    HG2  LYS   5           HG2      LYS   5  -2.365  -8.460   7.523
   40    HG3  LYS   5           HG3      LYS   5  -3.865  -9.086   8.210
   41    HD2  LYS   5           HD2      LYS   5  -2.912 -11.362   8.134
   42    HD3  LYS   5           HD3      LYS   5  -1.400 -10.684   7.523
   43    HE2  LYS   5           HE2      LYS   5  -1.138  -9.373   9.543
   44    HE3  LYS   5           HE3      LYS   5  -2.685  -9.962  10.153
   45    HZ1  LYS   5           HZ1      LYS   5  -1.408 -11.466  11.174
   46    HZ2  LYS   5           HZ2      LYS   5  -0.096 -11.249  10.125
   47    HZ3  LYS   5           HZ3      LYS   5  -1.385 -12.256   9.672
   48    H    LEU   6           H        LEU   6  -2.274  -7.563   4.489
   49    HA   LEU   6           HA       LEU   6  -3.093  -8.343   1.808
   50    HB2  LEU   6           HB2      LEU   6  -2.948  -6.226   1.068
   51    HB3  LEU   6           HB3      LEU   6  -2.825  -5.747   2.749
   52    HG   LEU   6           HG       LEU   6  -0.248  -6.444   1.630
   53   HD11  LEU   6          HD11      LEU   6  -1.721  -4.060   0.495
   54   HD12  LEU   6          HD12      LEU   6  -0.038  -4.502   0.199
   55   HD13  LEU   6          HD13      LEU   6  -1.336  -5.536  -0.402
   56   HD21  LEU   6          HD21      LEU   6  -0.608  -5.289   3.786
   57   HD22  LEU   6          HD22      LEU   6   0.321  -4.284   2.673
   58   HD23  LEU   6          HD23      LEU   6  -1.393  -3.951   2.938
   59    H    GLN   7           H        GLN   7  -1.834  -9.928   1.337
   60    HA   GLN   7           HA       GLN   7   0.676 -10.210   2.689
   61    HB2  GLN   7           HB2      GLN   7  -0.477 -12.032   0.555
   62    HB3  GLN   7           HB3      GLN   7   0.772 -12.419   1.726
   63    HG2  GLN   7           HG2      GLN   7  -0.916 -13.394   2.827
   64    HG3  GLN   7           HG3      GLN   7  -1.226 -11.756   3.397
   65   HE21  GLN   7          HE21      GLN   7  -2.091 -11.088   0.566
   66   HE22  GLN   7          HE22      GLN   7  -3.712 -11.672   0.483
   67    H    TYR   8           H        TYR   8   2.395  -9.270   1.920
   68    HA   TYR   8           HA       TYR   8   2.756  -9.324  -0.978
   69    HB2  TYR   8           HB2      TYR   8   3.724  -7.053  -0.909
   70    HB3  TYR   8           HB3      TYR   8   2.015  -7.116  -0.514
   71    HD1  TYR   8           HD2      TYR   8   4.595  -8.018   1.970
   72    HD2  TYR   8           HD1      TYR   8   2.027  -4.954   0.529
   73    HE1  TYR   8           HE2      TYR   8   5.072  -6.686   3.977
   74    HE2  TYR   8           HE1      TYR   8   2.500  -3.613   2.530
   75    HH   TYR   8           HH       TYR   8   5.041  -4.343   4.666
   76    H    SER   9           H        SER   9   4.988  -8.748  -1.635
   77    HA   SER   9           HA       SER   9   7.032  -9.337   0.315
   78    HB2  SER   9           HB2      SER   9   7.048 -10.954  -2.220
   79    HB3  SER   9           HB3      SER   9   8.059 -11.141  -0.806
   80    HG   SER   9           HG       SER   9   5.732 -11.422   0.174
   81    H    LEU  10           H        LEU  10   8.722  -8.255  -0.028
   82    HA   LEU  10           HA       LEU  10   8.465  -6.192  -2.060
   83    HB2  LEU  10           HB2      LEU  10   9.810  -5.752   0.570
   84    HB3  LEU  10           HB3      LEU  10   9.014  -4.593  -0.467
   85    HG   LEU  10           HG       LEU  10   7.683  -4.756   1.472
   86   HD11  LEU  10          HD11      LEU  10   6.403  -6.530  -0.593
   87   HD12  LEU  10          HD12      LEU  10   5.554  -5.779   0.763
   88   HD13  LEU  10          HD13      LEU  10   6.286  -4.771  -0.501
   89   HD21  LEU  10          HD21      LEU  10   7.081  -6.632   2.621
   90   HD22  LEU  10          HD22      LEU  10   7.327  -7.674   1.214
   91   HD23  LEU  10          HD23      LEU  10   8.719  -7.017   2.080
   92    H    ASP  11           H        ASP  11  10.139  -5.739  -3.223
   93    HA   ASP  11           HA       ASP  11  12.758  -6.948  -2.647
   94    HB2  ASP  11           HB2      ASP  11  11.549  -8.317  -4.297
   95    HB3  ASP  11           HB3      ASP  11  11.251  -6.897  -5.284
   96    H    TYR  12           H        TYR  12  14.405  -5.901  -4.253
   97    HA   TYR  12           HA       TYR  12  13.878  -2.989  -4.526
   98    HB2  TYR  12           HB2      TYR  12  15.388  -3.665  -2.608
   99    HB3  TYR  12           HB3      TYR  12  16.483  -4.336  -3.805
  100    HD1  TYR  12           HD1      TYR  12  14.599  -1.123  -3.706
  101    HD2  TYR  12           HD2      TYR  12  18.391  -3.032  -3.850
  102    HE1  TYR  12           HE1      TYR  12  15.683   1.065  -3.979
  103    HE2  TYR  12           HE2      TYR  12  19.487  -0.849  -4.110
  104    HH   TYR  12           HH       TYR  12  18.018   2.055  -3.513
  105    H    ASP  13           H        ASP  13  13.804  -2.531  -6.569
  106    HA   ASP  13           HA       ASP  13  15.676  -3.810  -8.434
  107    HB2  ASP  13           HB2      ASP  13  13.249  -3.369  -9.107
  108    HB3  ASP  13           HB3      ASP  13  13.641  -1.651  -9.061
  109    H    PHE  14           H        PHE  14  17.676  -2.801  -8.637
  110    HA   PHE  14           HA       PHE  14  17.760  -0.589  -6.761
  111    HB2  PHE  14           HB2      PHE  14  20.233  -1.074  -6.721
  112    HB3  PHE  14           HB3      PHE  14  19.181  -2.349  -6.121
  113    HD1  PHE  14           HD2      PHE  14  21.284  -1.283  -8.951
  114    HD2  PHE  14           HD1      PHE  14  19.135  -4.484  -7.152
  115    HE1  PHE  14           HE2      PHE  14  22.344  -2.863 -10.509
  116    HE2  PHE  14           HE1      PHE  14  20.192  -6.073  -8.705
  117    HZ   PHE  14           HZ       PHE  14  21.814  -5.291 -10.347
  118    H    GLN  15           H        GLN  15  18.296  -0.973 -10.259
  119    HA   GLN  15           HA       GLN  15  19.794   1.511 -10.023
  120    HB2  GLN  15           HB2      GLN  15  20.672   1.135 -12.104
  121    HB3  GLN  15           HB3      GLN  15  20.566  -0.473 -11.455
  122    HG2  GLN  15           HG2      GLN  15  18.679   0.773 -13.435
  123    HG3  GLN  15           HG3      GLN  15  19.923  -0.421 -13.789
  124   HE21  GLN  15          HE21      GLN  15  16.766   0.150 -12.617
  125   HE22  GLN  15          HE22      GLN  15  16.314  -1.500 -12.339
  126    H    ASN  16           H        ASN  16  16.531   0.653 -10.347
  127    HA   ASN  16           HA       ASN  16  16.243   3.458 -11.201
  128    HB2  ASN  16           HB2      ASN  16  13.766   2.907 -11.158
  129    HB3  ASN  16           HB3      ASN  16  14.703   2.146 -12.433
  130   HD21  ASN  16          HD21      ASN  16  13.290   0.457 -12.700
  131   HD22  ASN  16          HD22      ASN  16  13.084  -0.788 -11.518
  132    H    ASN  17           H        ASN  17  16.709   1.523  -8.674
  133    HA   ASN  17           HA       ASN  17  16.888   1.796  -6.498
  134    HB2  ASN  17           HB2      ASN  17  16.826   4.609  -7.427
  135    HB3  ASN  17           HB3      ASN  17  16.894   4.243  -5.708
  136   HD21  ASN  17          HD21      ASN  17  18.588   4.474  -8.601
  137   HD22  ASN  17          HD22      ASN  17  20.149   3.964  -8.032
  138    H    GLN  18           H        GLN  18  14.615   0.839  -6.952
  139    HA   GLN  18           HA       GLN  18  12.767   2.500  -5.402
  140    HB2  GLN  18           HB2      GLN  18  10.923   1.571  -6.705
  141    HB3  GLN  18           HB3      GLN  18  12.018   2.456  -7.740
  142    HG2  GLN  18           HG2      GLN  18  12.241   0.687  -9.034
  143    HG3  GLN  18           HG3      GLN  18  12.820  -0.269  -7.673
  144   HE21  GLN  18          HE21      GLN  18  10.256   0.052  -6.237
  145   HE22  GLN  18          HE22      GLN  18   9.175  -1.047  -7.022
  146    H    LEU  19           H        LEU  19  11.954   1.505  -3.675
  147    HA   LEU  19           HA       LEU  19  12.483  -1.290  -3.332
  148    HB2  LEU  19           HB2      LEU  19  10.940   0.703  -1.662
  149    HB3  LEU  19           HB3      LEU  19  11.270  -0.958  -1.186
  150    HG   LEU  19           HG       LEU  19  13.436   1.048  -1.812
  151   HD11  LEU  19          HD11      LEU  19  12.364   0.221   0.884
  152   HD12  LEU  19          HD12      LEU  19  13.760   1.257   0.589
  153   HD13  LEU  19          HD13      LEU  19  12.147   1.799   0.126
  154   HD21  LEU  19          HD21      LEU  19  14.829  -0.591  -0.588
  155   HD22  LEU  19          HD22      LEU  19  13.438  -1.676  -0.512
  156   HD23  LEU  19          HD23      LEU  19  14.132  -1.235  -2.074
  157    H    LEU  20           H        LEU  20  10.841  -2.837  -3.264
  158    HA   LEU  20           HA       LEU  20   8.641  -2.071  -5.071
  159    HB2  LEU  20           HB2      LEU  20  10.393  -2.931  -6.379
  160    HB3  LEU  20           HB3      LEU  20  10.773  -4.179  -5.218
  161    HG   LEU  20           HG       LEU  20   8.556  -5.248  -5.879
  162   HD11  LEU  20          HD11      LEU  20   8.879  -3.275  -8.131
  163   HD12  LEU  20          HD12      LEU  20   7.764  -4.646  -8.126
  164   HD13  LEU  20          HD13      LEU  20   7.554  -3.335  -6.966
  165   HD21  LEU  20          HD21      LEU  20   9.573  -6.242  -7.888
  166   HD22  LEU  20          HD22      LEU  20  10.790  -4.961  -7.885
  167   HD23  LEU  20          HD23      LEU  20  10.719  -6.116  -6.552
  168    H    VAL  21           H        VAL  21   6.718  -2.796  -4.414
  169    HA   VAL  21           HA       VAL  21   6.669  -4.939  -2.364
  170    HB   VAL  21           HB       VAL  21   5.032  -2.384  -2.588
  171   HG11  VAL  21          HG11      VAL  21   3.583  -4.194  -1.823
  172   HG12  VAL  21          HG12      VAL  21   4.712  -4.545  -0.518
  173   HG13  VAL  21          HG13      VAL  21   3.863  -3.001  -0.555
  174   HG21  VAL  21          HG21      VAL  21   6.001  -1.825  -0.405
  175   HG22  VAL  21          HG22      VAL  21   6.974  -3.294  -0.476
  176   HG23  VAL  21          HG23      VAL  21   7.227  -2.011  -1.660
  177    H    GLY  22           H        GLY  22   6.394  -6.269  -4.364
  178    HA2  GLY  22           HA3      GLY  22   3.742  -5.845  -5.610
  179    HA3  GLY  22           HA2      GLY  22   5.127  -6.549  -6.405
  180    H    ILE  23           H        ILE  23   3.081  -7.299  -3.510
  181    HA   ILE  23           HA       ILE  23   3.015  -9.857  -4.936
  182    HB   ILE  23           HB       ILE  23   2.868  -9.631  -1.974
  183   HG12  ILE  23          HG12      ILE  23   5.036  -9.678  -3.182
  184   HG13  ILE  23          HG13      ILE  23   4.802 -11.077  -2.138
  185   HG21  ILE  23          HG21      ILE  23   2.532 -12.047  -1.874
  186   HG22  ILE  23          HG22      ILE  23   1.151 -11.281  -2.659
  187   HG23  ILE  23          HG23      ILE  23   2.366 -12.115  -3.629
  188   HD11  ILE  23          HD11      ILE  23   4.196 -12.419  -4.086
  189   HD12  ILE  23          HD12      ILE  23   4.434 -11.014  -5.126
  190   HD13  ILE  23          HD13      ILE  23   5.801 -11.708  -4.256
  191    H    ILE  24           H        ILE  24   0.438  -9.698  -2.541
  192    HA   ILE  24           HA       ILE  24  -1.023 -10.280  -5.026
  193    HB   ILE  24           HB       ILE  24  -2.457 -11.850  -3.664
  194   HG12  ILE  24          HG12      ILE  24  -0.031 -11.737  -1.859
  195   HG13  ILE  24          HG13      ILE  24  -1.669 -11.259  -1.430
  196   HG21  ILE  24          HG21      ILE  24   0.411 -12.505  -4.309
  197   HG22  ILE  24          HG22      ILE  24  -0.871 -13.693  -4.065
  198   HG23  ILE  24          HG23      ILE  24  -0.962 -12.561  -5.415
  199   HD11  ILE  24          HD11      ILE  24  -0.754 -14.044  -2.120
  200   HD12  ILE  24          HD12      ILE  24  -1.151 -13.435  -0.513
  201   HD13  ILE  24          HD13      ILE  24  -2.411 -13.577  -1.738
  202    H    GLN  25           H        GLN  25  -2.208  -9.755  -1.653
  203    HA   GLN  25           HA       GLN  25  -4.247  -8.047  -2.663
  204    HB2  GLN  25           HB2      GLN  25  -6.068  -9.775  -2.039
  205    HB3  GLN  25           HB3      GLN  25  -5.321  -9.833  -3.626
  206    HG2  GLN  25           HG2      GLN  25  -5.210 -12.026  -3.129
  207    HG3  GLN  25           HG3      GLN  25  -3.702 -11.523  -2.377
  208   HE21  GLN  25          HE21      GLN  25  -5.138 -10.204  -0.149
  209   HE22  GLN  25          HE22      GLN  25  -5.637 -11.511   0.876
  210    H    ALA  26           H        ALA  26  -5.611  -7.208  -1.202
  211    HA   ALA  26           HA       ALA  26  -5.071  -7.884   1.599
  212    HB1  ALA  26           HB1      ALA  26  -6.275  -5.805   2.129
  213    HB2  ALA  26           HB2      ALA  26  -4.906  -5.497   1.061
  214    HB3  ALA  26           HB3      ALA  26  -6.545  -5.525   0.408
  215    H    ALA  27           H        ALA  27  -6.896  -8.261   2.916
  216    HA   ALA  27           HA       ALA  27  -9.135  -9.373   1.400
  217    HB1  ALA  27           HB1      ALA  27  -7.557 -11.123   2.010
  218    HB2  ALA  27           HB2      ALA  27  -7.720 -10.678   3.709
  219    HB3  ALA  27           HB3      ALA  27  -9.101 -11.336   2.834
  220    H    GLU  28           H        GLU  28 -11.098  -8.582   2.034
  221    HA   GLU  28           HA       GLU  28 -12.856  -8.238   3.415
  222    HB2  GLU  28           HB2      GLU  28 -11.091  -9.521   5.500
  223    HB3  GLU  28           HB3      GLU  28 -12.833  -9.303   5.619
  224    HG2  GLU  28           HG2      GLU  28 -13.229 -10.891   3.904
  225    HG3  GLU  28           HG3      GLU  28 -11.519 -10.946   3.474
  226    H    LEU  29           H        LEU  29 -11.334  -5.980   3.027
  227    HA   LEU  29           HA       LEU  29 -10.859  -4.875   5.702
  228    HB2  LEU  29           HB2      LEU  29 -10.877  -3.136   3.281
  229    HB3  LEU  29           HB3      LEU  29  -9.852  -3.084   4.712
  230    HG   LEU  29           HG       LEU  29  -9.601  -5.102   2.475
  231   HD11  LEU  29          HD11      LEU  29  -8.951  -2.866   1.777
  232   HD12  LEU  29          HD12      LEU  29  -7.889  -2.730   3.182
  233   HD13  LEU  29          HD13      LEU  29  -7.544  -3.925   1.922
  234   HD21  LEU  29          HD21      LEU  29  -7.892  -4.604   4.904
  235   HD22  LEU  29          HD22      LEU  29  -8.887  -6.027   4.592
  236   HD23  LEU  29          HD23      LEU  29  -7.489  -5.691   3.570
  237    HA   PRO  30           HA       PRO  30 -14.862  -3.350   6.482
  238    HB2  PRO  30           HB2      PRO  30 -14.574  -0.642   6.928
  239    HB3  PRO  30           HB3      PRO  30 -14.238  -1.900   8.121
  240    HG2  PRO  30           HG2      PRO  30 -12.350  -0.418   6.343
  241    HG3  PRO  30           HG3      PRO  30 -12.155  -0.891   8.040
  242    HD2  PRO  30           HD2      PRO  30 -10.958  -2.248   6.061
  243    HD3  PRO  30           HD3      PRO  30 -11.596  -3.077   7.497
  244    H    ALA  31           H        ALA  31 -16.632  -2.721   5.369
  245    HA   ALA  31           HA       ALA  31 -16.371  -1.746   2.698
  246    HB1  ALA  31           HB1      ALA  31 -18.784  -2.123   2.614
  247    HB2  ALA  31           HB2      ALA  31 -17.951  -3.512   3.311
  248    HB3  ALA  31           HB3      ALA  31 -18.807  -2.383   4.359
  249    H    LEU  32           H        LEU  32 -16.347   0.360   2.154
  250    HA   LEU  32           HA       LEU  32 -17.908   2.215   3.827
  251    HB2  LEU  32           HB2      LEU  32 -15.303   2.869   2.481
  252    HB3  LEU  32           HB3      LEU  32 -16.217   3.892   3.571
  253    HG   LEU  32           HG       LEU  32 -14.620   1.440   4.238
  254   HD11  LEU  32          HD11      LEU  32 -13.519   2.951   5.813
  255   HD12  LEU  32          HD12      LEU  32 -13.384   3.506   4.144
  256   HD13  LEU  32          HD13      LEU  32 -14.535   4.274   5.237
  257   HD21  LEU  32          HD21      LEU  32 -16.717   1.220   5.400
  258   HD22  LEU  32          HD22      LEU  32 -15.435   1.650   6.540
  259   HD23  LEU  32          HD23      LEU  32 -16.588   2.876   6.005
  260    H    ASP  33           H        ASP  33 -18.858   0.941   1.695
  261    HA   ASP  33           HA       ASP  33 -19.368   3.029  -0.232
  262    HB2  ASP  33           HB2      ASP  33 -17.839   1.989  -1.593
  263    HB3  ASP  33           HB3      ASP  33 -17.960   0.460  -0.733
  264    H    MET  34           H        MET  34 -21.318   2.474  -1.521
  265    HA   MET  34           HA       MET  34 -23.277   1.512   0.383
  266    HB2  MET  34           HB2      MET  34 -23.492   3.652  -0.982
  267    HB3  MET  34           HB3      MET  34 -23.836   2.621  -2.366
  268    HG2  MET  34           HG2      MET  34 -25.886   3.442  -1.387
  269    HG3  MET  34           HG3      MET  34 -25.769   1.693  -1.199
  270    HE1  MET  34           HE1      MET  34 -27.822   3.545   0.448
  271    HE2  MET  34           HE2      MET  34 -27.723   1.790   0.591
  272    HE3  MET  34           HE3      MET  34 -27.684   2.796   2.039
  273    H    GLY  35           H        GLY  35 -22.255  -0.688   0.043
  274    HA2  GLY  35           HA3      GLY  35 -24.238  -2.299  -1.197
  275    HA3  GLY  35           HA2      GLY  35 -22.751  -2.327  -2.137
  276    H    GLY  36           H        GLY  36 -22.614  -1.870   1.278
  277    HA2  GLY  36           HA3      GLY  36 -21.391  -2.975   2.869
  278    HA3  GLY  36           HA2      GLY  36 -22.187  -4.426   2.259
  279    H    THR  37           H        THR  37 -20.070  -2.292   0.555
  280    HA   THR  37           HA       THR  37 -17.821  -4.107   0.723
  281    HB   THR  37           HB       THR  37 -17.448  -3.656  -1.801
  282    HG1  THR  37           HG1      THR  37 -19.241  -2.235  -2.014
  283   HG21  THR  37          HG21      THR  37 -17.839  -5.883  -0.874
  284   HG22  THR  37          HG22      THR  37 -18.670  -5.687  -2.417
  285   HG23  THR  37          HG23      THR  37 -19.581  -5.598  -0.909
  286    H    SER  38           H        SER  38 -15.951  -2.893  -0.499
  287    HA   SER  38           HA       SER  38 -16.263  -0.009  -0.151
  288    HB2  SER  38           HB2      SER  38 -13.856   0.075   0.416
  289    HB3  SER  38           HB3      SER  38 -14.739  -0.941   1.553
  290    HG   SER  38           HG       SER  38 -13.673  -2.222  -0.666
  291    H    ASP  39           H        ASP  39 -14.714   1.177  -1.727
  292    HA   ASP  39           HA       ASP  39 -14.132  -0.444  -4.094
  293    HB2  ASP  39           HB2      ASP  39 -14.550   2.556  -3.842
  294    HB3  ASP  39           HB3      ASP  39 -14.012   1.755  -5.310
  295    HA   PRO  40           HA       PRO  40 -10.303   0.583  -1.605
  296    HB2  PRO  40           HB2      PRO  40  -9.112  -1.835  -2.181
  297    HB3  PRO  40           HB3      PRO  40 -10.083  -1.496  -0.746
  298    HG2  PRO  40           HG2      PRO  40 -10.879  -2.844  -3.290
  299    HG3  PRO  40           HG3      PRO  40 -11.322  -3.225  -1.620
  300    HD2  PRO  40           HD2      PRO  40 -12.983  -1.970  -3.263
  301    HD3  PRO  40           HD3      PRO  40 -12.895  -1.601  -1.520
  302    H    TYR  41           H        TYR  41  -8.453   1.281  -2.281
  303    HA   TYR  41           HA       TYR  41  -7.199   0.397  -4.683
  304    HB2  TYR  41           HB2      TYR  41  -7.655   2.160  -6.036
  305    HB3  TYR  41           HB3      TYR  41  -8.972   2.489  -4.922
  306    HD1  TYR  41           HD2      TYR  41  -5.330   3.269  -4.409
  307    HD2  TYR  41           HD1      TYR  41  -9.250   4.744  -5.126
  308    HE1  TYR  41           HE2      TYR  41  -4.518   5.551  -4.067
  309    HE2  TYR  41           HE1      TYR  41  -8.445   7.042  -4.809
  310    HH   TYR  41           HH       TYR  41  -6.726   8.286  -3.956
  311    H    VAL  42           H        VAL  42  -4.969   0.738  -4.524
  312    HA   VAL  42           HA       VAL  42  -4.194   1.319  -1.796
  313    HB   VAL  42           HB       VAL  42  -2.099   0.288  -2.277
  314   HG11  VAL  42          HG11      VAL  42  -4.371  -1.308  -3.427
  315   HG12  VAL  42          HG12      VAL  42  -2.837  -1.980  -2.874
  316   HG13  VAL  42          HG13      VAL  42  -3.923  -1.196  -1.725
  317   HG21  VAL  42          HG21      VAL  42  -1.648   1.076  -4.502
  318   HG22  VAL  42          HG22      VAL  42  -1.530  -0.684  -4.446
  319   HG23  VAL  42          HG23      VAL  42  -2.957   0.083  -5.142
  320    H    LYS  43           H        LYS  43  -3.651   3.213  -1.272
  321    HA   LYS  43           HA       LYS  43  -2.330   5.058  -3.087
  322    HB2  LYS  43           HB2      LYS  43  -2.956   5.192  -0.133
  323    HB3  LYS  43           HB3      LYS  43  -2.107   6.457  -0.999
  324    HG2  LYS  43           HG2      LYS  43  -4.124   6.734  -2.432
  325    HG3  LYS  43           HG3      LYS  43  -4.962   5.573  -1.377
  326    HD2  LYS  43           HD2      LYS  43  -4.783   6.990   0.494
  327    HD3  LYS  43           HD3      LYS  43  -3.561   7.999  -0.274
  328    HE2  LYS  43           HE2      LYS  43  -6.421   7.792  -1.188
  329    HE3  LYS  43           HE3      LYS  43  -5.812   9.047  -0.113
  330    HZ1  LYS  43           HZ1      LYS  43  -5.883   9.846  -2.361
  331    HZ2  LYS  43           HZ2      LYS  43  -4.944   8.552  -2.912
  332    HZ3  LYS  43           HZ3      LYS  43  -4.263   9.716  -1.882
  333    H    VAL  44           H        VAL  44  -0.272   4.374  -3.590
  334    HA   VAL  44           HA       VAL  44   1.413   3.806  -1.241
  335    HB   VAL  44           HB       VAL  44   2.779   2.496  -2.467
  336   HG11  VAL  44          HG11      VAL  44   0.426   2.552  -4.339
  337   HG12  VAL  44          HG12      VAL  44   1.647   1.281  -4.255
  338   HG13  VAL  44          HG13      VAL  44   0.584   1.575  -2.878
  339   HG21  VAL  44          HG21      VAL  44   2.346   4.178  -4.932
  340   HG22  VAL  44          HG22      VAL  44   3.729   4.264  -3.841
  341   HG23  VAL  44          HG23      VAL  44   3.449   2.809  -4.797
  342    H    PHE  45           H        PHE  45   2.273   5.510  -0.362
  343    HA   PHE  45           HA       PHE  45   3.707   7.395  -2.001
  344    HB2  PHE  45           HB2      PHE  45   2.559   9.375  -1.120
  345    HB3  PHE  45           HB3      PHE  45   1.452   8.363  -2.033
  346    HD1  PHE  45           HD2      PHE  45  -0.056   6.775  -0.666
  347    HD2  PHE  45           HD1      PHE  45   2.011  10.103   0.995
  348    HE1  PHE  45           HE2      PHE  45  -1.637   6.811   1.218
  349    HE2  PHE  45           HE1      PHE  45   0.429  10.151   2.877
  350    HZ   PHE  45           HZ       PHE  45  -1.399   8.504   2.990
  351    H    LEU  46           H        LEU  46   4.657   9.106  -0.409
  352    HA   LEU  46           HA       LEU  46   5.526   7.637   1.931
  353    HB2  LEU  46           HB2      LEU  46   6.963   8.163  -0.381
  354    HB3  LEU  46           HB3      LEU  46   7.667   9.217   0.823
  355    HG   LEU  46           HG       LEU  46   7.488   7.038   2.257
  356   HD11  LEU  46          HD11      LEU  46   7.621   5.922  -0.495
  357   HD12  LEU  46          HD12      LEU  46   7.899   5.015   0.991
  358   HD13  LEU  46          HD13      LEU  46   6.314   5.719   0.670
  359   HD21  LEU  46          HD21      LEU  46   9.554   8.211   1.817
  360   HD22  LEU  46          HD22      LEU  46   9.780   6.467   1.682
  361   HD23  LEU  46          HD23      LEU  46   9.643   7.454   0.226
  362    H    LEU  47           H        LEU  47   6.603   8.902   3.549
  363    HA   LEU  47           HA       LEU  47   5.051  11.353   3.940
  364    HB2  LEU  47           HB2      LEU  47   6.631   9.723   5.928
  365    HB3  LEU  47           HB3      LEU  47   5.629  11.114   6.310
  366    HG   LEU  47           HG       LEU  47   4.649   8.510   5.151
  367   HD11  LEU  47          HD11      LEU  47   4.285   9.690   7.912
  368   HD12  LEU  47          HD12      LEU  47   3.605   8.169   7.331
  369   HD13  LEU  47          HD13      LEU  47   5.352   8.345   7.511
  370   HD21  LEU  47          HD21      LEU  47   3.336  10.432   4.405
  371   HD22  LEU  47          HD22      LEU  47   2.418   9.427   5.525
  372   HD23  LEU  47          HD23      LEU  47   3.124  10.944   6.079
  373    HA   PRO  48           HA       PRO  48   6.783  14.902   3.499
  374    HB2  PRO  48           HB2      PRO  48   9.054  14.256   5.349
  375    HB3  PRO  48           HB3      PRO  48   8.352  15.839   4.970
  376    HG2  PRO  48           HG2      PRO  48   7.484  14.180   7.040
  377    HG3  PRO  48           HG3      PRO  48   6.531  15.485   6.312
  378    HD2  PRO  48           HD2      PRO  48   5.877  12.744   6.234
  379    HD3  PRO  48           HD3      PRO  48   5.193  14.000   5.172
  380    H    ASP  49           H        ASP  49   8.475  12.073   2.710
  381    HA   ASP  49           HA       ASP  49  10.178  13.433   0.801
  382    HB2  ASP  49           HB2      ASP  49  11.083  11.418   1.616
  383    HB3  ASP  49           HB3      ASP  49   9.543  10.580   1.512
  384    H    LYS  50           H        LYS  50   7.823  10.832   0.364
  385    HA   LYS  50           HA       LYS  50   6.136  10.440  -0.996
  386    HB2  LYS  50           HB2      LYS  50   5.663  12.960  -0.007
  387    HB3  LYS  50           HB3      LYS  50   5.576  13.223  -1.747
  388    HG2  LYS  50           HG2      LYS  50   3.910  11.386  -0.048
  389    HG3  LYS  50           HG3      LYS  50   3.379  12.694  -1.117
  390    HD2  LYS  50           HD2      LYS  50   4.955  10.533  -2.346
  391    HD3  LYS  50           HD3      LYS  50   3.336  10.090  -1.787
  392    HE2  LYS  50           HE2      LYS  50   3.439  10.829  -4.181
  393    HE3  LYS  50           HE3      LYS  50   2.298  11.721  -3.182
  394    HZ1  LYS  50           HZ1      LYS  50   3.660  13.104  -4.708
  395    HZ2  LYS  50           HZ2      LYS  50   5.035  12.694  -3.803
  396    HZ3  LYS  50           HZ3      LYS  50   3.768  13.560  -3.079
  397    H    LYS  51           H        LYS  51   8.584  10.150  -2.047
  398    HA   LYS  51           HA       LYS  51   8.471  11.345  -4.720
  399    HB2  LYS  51           HB2      LYS  51  10.347   9.748  -3.094
  400    HB3  LYS  51           HB3      LYS  51  10.450   9.515  -4.844
  401    HG2  LYS  51           HG2      LYS  51  10.869  11.871  -5.167
  402    HG3  LYS  51           HG3      LYS  51  10.607  12.185  -3.452
  403    HD2  LYS  51           HD2      LYS  51  12.988  12.142  -3.987
  404    HD3  LYS  51           HD3      LYS  51  12.557  10.826  -2.897
  405    HE2  LYS  51           HE2      LYS  51  12.554   9.255  -4.738
  406    HE3  LYS  51           HE3      LYS  51  12.872  10.559  -5.885
  407    HZ1  LYS  51           HZ1      LYS  51  14.689   9.669  -3.701
  408    HZ2  LYS  51           HZ2      LYS  51  14.994  10.952  -4.764
  409    HZ3  LYS  51           HZ3      LYS  51  14.899   9.369  -5.358
  410    H    LYS  52           H        LYS  52   6.177   9.837  -4.060
  411    HA   LYS  52           HA       LYS  52   6.616   7.217  -5.322
  412    HB2  LYS  52           HB2      LYS  52   5.494   7.794  -2.590
  413    HB3  LYS  52           HB3      LYS  52   5.013   6.349  -3.459
  414    HG2  LYS  52           HG2      LYS  52   6.819   5.981  -1.802
  415    HG3  LYS  52           HG3      LYS  52   7.259   5.508  -3.441
  416    HD2  LYS  52           HD2      LYS  52   8.638   7.367  -3.723
  417    HD3  LYS  52           HD3      LYS  52   7.958   8.209  -2.330
  418    HE2  LYS  52           HE2      LYS  52   9.003   6.546  -0.859
  419    HE3  LYS  52           HE3      LYS  52   9.683   5.738  -2.270
  420    HZ1  LYS  52           HZ1      LYS  52  10.953   7.720  -2.772
  421    HZ2  LYS  52           HZ2      LYS  52  11.281   7.214  -1.192
  422    HZ3  LYS  52           HZ3      LYS  52  10.263   8.542  -1.455
  423    H    LYS  53           H        LYS  53   5.450   7.807  -7.148
  424    HA   LYS  53           HA       LYS  53   2.687   8.591  -6.853
  425    HB2  LYS  53           HB2      LYS  53   2.588   8.428  -9.306
  426    HB3  LYS  53           HB3      LYS  53   3.938   9.422  -8.777
  427    HG2  LYS  53           HG2      LYS  53   5.509   7.753  -9.306
  428    HG3  LYS  53           HG3      LYS  53   4.252   6.522  -9.467
  429    HD2  LYS  53           HD2      LYS  53   3.361   7.740 -11.422
  430    HD3  LYS  53           HD3      LYS  53   4.683   8.901 -11.277
  431    HE2  LYS  53           HE2      LYS  53   6.305   7.147 -11.674
  432    HE3  LYS  53           HE3      LYS  53   5.022   5.936 -11.717
  433    HZ1  LYS  53           HZ1      LYS  53   4.115   6.989 -13.674
  434    HZ2  LYS  53           HZ2      LYS  53   5.740   6.590 -13.938
  435    HZ3  LYS  53           HZ3      LYS  53   5.304   8.199 -13.620
  436    H    PHE  54           H        PHE  54   1.353   7.092  -6.053
  437    HA   PHE  54           HA       PHE  54   1.478   4.320  -6.916
  438    HB2  PHE  54           HB2      PHE  54  -0.440   4.082  -5.401
  439    HB3  PHE  54           HB3      PHE  54   0.900   4.908  -4.610
  440    HD1  PHE  54           HD1      PHE  54   0.790   7.364  -4.238
  441    HD2  PHE  54           HD2      PHE  54  -2.536   5.175  -5.738
  442    HE1  PHE  54           HE1      PHE  54  -0.707   9.223  -3.642
  443    HE2  PHE  54           HE2      PHE  54  -4.031   7.033  -5.152
  444    HZ   PHE  54           HZ       PHE  54  -3.097   9.092  -4.154
  445    H    GLU  55           H        GLU  55  -0.094   3.281  -8.248
  446    HA   GLU  55           HA       GLU  55  -2.687   4.457  -8.077
  447    HB2  GLU  55           HB2      GLU  55  -1.728   5.619 -10.074
  448    HB3  GLU  55           HB3      GLU  55  -1.561   4.053 -10.857
  449    HG2  GLU  55           HG2      GLU  55  -3.987   3.740 -10.732
  450    HG3  GLU  55           HG3      GLU  55  -4.142   5.326  -9.974
  451    H    THR  56           H        THR  56  -3.422   2.508  -7.087
  452    HA   THR  56           HA       THR  56  -3.456   0.022  -8.389
  453    HB   THR  56           HB       THR  56  -5.967   0.453  -7.215
  454    HG1  THR  56           HG1      THR  56  -5.519   2.174  -6.084
  455   HG21  THR  56          HG21      THR  56  -4.696  -1.609  -7.033
  456   HG22  THR  56          HG22      THR  56  -5.080  -0.990  -5.427
  457   HG23  THR  56          HG23      THR  56  -3.457  -0.786  -6.086
  458    H    LYS  57           H        LYS  57  -4.986  -0.986  -9.685
  459    HA   LYS  57           HA       LYS  57  -7.015   0.453 -11.088
  460    HB2  LYS  57           HB2      LYS  57  -6.191  -1.844 -11.700
  461    HB3  LYS  57           HB3      LYS  57  -6.992  -2.467 -10.267
  462    HG2  LYS  57           HG2      LYS  57  -8.364  -2.897 -12.185
  463    HG3  LYS  57           HG3      LYS  57  -9.150  -1.672 -11.185
  464    HD2  LYS  57           HD2      LYS  57  -8.341   0.079 -12.655
  465    HD3  LYS  57           HD3      LYS  57  -7.477  -1.110 -13.628
  466    HE2  LYS  57           HE2      LYS  57  -9.593  -2.164 -14.235
  467    HE3  LYS  57           HE3      LYS  57 -10.465  -0.999 -13.238
  468    HZ1  LYS  57           HZ1      LYS  57  -9.664   0.774 -14.662
  469    HZ2  LYS  57           HZ2      LYS  57 -10.507  -0.381 -15.576
  470    HZ3  LYS  57           HZ3      LYS  57  -8.811  -0.339 -15.617
  471    H    VAL  58           H        VAL  58  -9.096   0.987 -10.362
  472    HA   VAL  58           HA       VAL  58  -9.457   0.982  -7.501
  473    HB   VAL  58           HB       VAL  58 -11.414   1.897  -9.622
  474   HG11  VAL  58          HG11      VAL  58 -11.202   2.555  -6.684
  475   HG12  VAL  58          HG12      VAL  58 -12.344   3.280  -7.816
  476   HG13  VAL  58          HG13      VAL  58 -12.442   1.558  -7.444
  477   HG21  VAL  58          HG21      VAL  58 -10.523   4.153  -9.223
  478   HG22  VAL  58          HG22      VAL  58  -9.293   3.469  -8.160
  479   HG23  VAL  58          HG23      VAL  58  -9.296   3.068  -9.876
  480    H    HIS  59           H        HIS  59 -10.834  -0.348  -6.287
  481    HA   HIS  59           HA       HIS  59 -11.709  -2.686  -7.859
  482    HB2  HIS  59           HB2      HIS  59 -10.982  -2.499  -4.926
  483    HB3  HIS  59           HB3      HIS  59 -11.428  -3.973  -5.788
  484    HD1  HIS  59           HD1      HIS  59  -8.546  -2.224  -4.673
  485    HD2  HIS  59           HD2      HIS  59  -9.471  -4.379  -8.101
  486    HE1  HIS  59           HE1      HIS  59  -6.335  -2.856  -5.688
  487    HE2  HIS  59           HE2      HIS  59  -6.923  -3.997  -7.852
  488    H    ARG  60           H        ARG  60 -13.761  -2.014  -8.355
  489    HA   ARG  60           HA       ARG  60 -15.365  -0.665  -6.402
  490    HB2  ARG  60           HB2      ARG  60 -16.051  -1.749  -9.139
  491    HB3  ARG  60           HB3      ARG  60 -17.137  -0.787  -8.147
  492    HG2  ARG  60           HG2      ARG  60 -14.463   0.132  -9.167
  493    HG3  ARG  60           HG3      ARG  60 -16.021   0.523  -9.896
  494    HD2  ARG  60           HD2      ARG  60 -16.709   1.593  -7.786
  495    HD3  ARG  60           HD3      ARG  60 -15.115   1.249  -7.109
  496    HE   ARG  60           HE       ARG  60 -14.633   2.632  -9.435
  497   HH11  ARG  60          HH12      ARG  60 -16.332   3.285  -6.410
  498   HH12  ARG  60          HH11      ARG  60 -16.173   5.012  -6.568
  499   HH21  ARG  60          HH22      ARG  60 -14.409   4.899  -9.594
  500   HH22  ARG  60          HH21      ARG  60 -15.103   5.918  -8.366
  501    H    LYS  61           H        LYS  61 -16.478  -1.572  -4.895
  502    HA   LYS  61           HA       LYS  61 -17.969  -2.884  -3.822
  503    HB2  LYS  61           HB2      LYS  61 -18.452  -4.256  -6.471
  504    HB3  LYS  61           HB3      LYS  61 -19.543  -4.178  -5.093
  505    HG2  LYS  61           HG2      LYS  61 -18.657  -1.744  -6.617
  506    HG3  LYS  61           HG3      LYS  61 -20.095  -2.676  -7.038
  507    HD2  LYS  61           HD2      LYS  61 -21.194  -2.094  -5.062
  508    HD3  LYS  61           HD3      LYS  61 -19.693  -1.629  -4.256
  509    HE2  LYS  61           HE2      LYS  61 -20.730  -0.161  -6.665
  510    HE3  LYS  61           HE3      LYS  61 -21.252   0.244  -5.029
  511    HZ1  LYS  61           HZ1      LYS  61 -18.404   0.170  -5.856
  512    HZ2  LYS  61           HZ2      LYS  61 -19.042   0.775  -4.412
  513    HZ3  LYS  61           HZ3      LYS  61 -19.342   1.577  -5.868
  514    H    THR  62           H        THR  62 -15.391  -3.616  -3.440
  515    HA   THR  62           HA       THR  62 -15.749  -6.432  -2.977
  516    HB   THR  62           HB       THR  62 -14.441  -7.141  -4.677
  517    HG1  THR  62           HG1      THR  62 -12.170  -5.748  -3.885
  518   HG21  THR  62          HG21      THR  62 -13.461  -4.312  -5.066
  519   HG22  THR  62          HG22      THR  62 -14.788  -5.083  -5.936
  520   HG23  THR  62          HG23      THR  62 -13.136  -5.669  -6.144
  521    H    LEU  63           H        LEU  63 -15.175  -6.714  -0.957
  522    HA   LEU  63           HA       LEU  63 -13.504  -4.715   0.330
  523    HB2  LEU  63           HB2      LEU  63 -15.097  -7.022   1.355
  524    HB3  LEU  63           HB3      LEU  63 -13.953  -6.155   2.337
  525    HG   LEU  63           HG       LEU  63 -16.378  -4.984   0.991
  526   HD11  LEU  63          HD11      LEU  63 -17.239  -4.702   3.244
  527   HD12  LEU  63          HD12      LEU  63 -16.921  -6.404   2.904
  528   HD13  LEU  63          HD13      LEU  63 -15.800  -5.482   3.905
  529   HD21  LEU  63          HD21      LEU  63 -14.350  -3.698   2.813
  530   HD22  LEU  63          HD22      LEU  63 -14.514  -3.411   1.083
  531   HD23  LEU  63          HD23      LEU  63 -15.808  -2.937   2.180
  532    H    ASN  64           H        ASN  64 -12.902  -7.524  -1.293
  533    HA   ASN  64           HA       ASN  64 -10.597  -8.076   0.448
  534    HB2  ASN  64           HB2      ASN  64 -12.540  -9.738   0.573
  535    HB3  ASN  64           HB3      ASN  64 -12.117 -10.193  -1.071
  536   HD21  ASN  64          HD21      ASN  64  -9.362 -10.138  -0.933
  537   HD22  ASN  64          HD22      ASN  64  -8.837 -11.391   0.136
  538    HA   PRO  65           HA       PRO  65  -8.614  -7.945  -3.543
  539    HB2  PRO  65           HB2      PRO  65  -8.714  -5.427  -4.315
  540    HB3  PRO  65           HB3      PRO  65 -10.171  -6.453  -4.398
  541    HG2  PRO  65           HG2      PRO  65  -9.636  -4.200  -2.578
  542    HG3  PRO  65           HG3      PRO  65 -11.154  -5.036  -2.902
  543    HD2  PRO  65           HD2      PRO  65  -9.157  -5.513  -0.771
  544    HD3  PRO  65           HD3      PRO  65 -10.901  -5.897  -0.805
  545    H    VAL  66           H        VAL  66  -6.502  -7.936  -3.430
  546    HA   VAL  66           HA       VAL  66  -5.584  -5.287  -3.865
  547    HB   VAL  66           HB       VAL  66  -3.872  -7.096  -2.174
  548   HG11  VAL  66          HG11      VAL  66  -2.868  -4.890  -3.980
  549   HG12  VAL  66          HG12      VAL  66  -1.915  -5.752  -2.772
  550   HG13  VAL  66          HG13      VAL  66  -2.538  -6.611  -4.181
  551   HG21  VAL  66          HG21      VAL  66  -5.145  -5.304  -1.098
  552   HG22  VAL  66          HG22      VAL  66  -3.409  -5.005  -1.007
  553   HG23  VAL  66          HG23      VAL  66  -4.394  -4.126  -2.176
  554    H    PHE  67           H        PHE  67  -4.284  -5.243  -5.550
  555    HA   PHE  67           HA       PHE  67  -5.598  -6.741  -7.476
  556    HB2  PHE  67           HB2      PHE  67  -5.054  -4.317  -7.670
  557    HB3  PHE  67           HB3      PHE  67  -3.380  -4.764  -7.975
  558    HD1  PHE  67           HD2      PHE  67  -6.833  -5.123  -9.291
  559    HD2  PHE  67           HD1      PHE  67  -2.664  -5.346 -10.113
  560    HE1  PHE  67           HE2      PHE  67  -7.321  -5.349 -11.693
  561    HE2  PHE  67           HE1      PHE  67  -3.145  -5.573 -12.514
  562    HZ   PHE  67           HZ       PHE  67  -5.524  -5.560 -13.297
  563    H    ASN  68           H        ASN  68  -2.657  -7.571  -5.953
  564    HA   ASN  68           HA       ASN  68  -0.631  -8.374  -6.562
  565    HB2  ASN  68           HB2      ASN  68  -1.957  -9.061  -9.197
  566    HB3  ASN  68           HB3      ASN  68  -0.292  -9.457  -8.787
  567   HD21  ASN  68          HD21      ASN  68  -3.001  -9.636  -6.544
  568   HD22  ASN  68          HD22      ASN  68  -3.012 -11.364  -6.402
  569    H    GLU  69           H        GLU  69  -0.084  -6.367  -6.289
  570    HA   GLU  69           HA       GLU  69   0.633  -4.752  -8.570
  571    HB2  GLU  69           HB2      GLU  69  -1.777  -4.256  -7.090
  572    HB3  GLU  69           HB3      GLU  69  -0.638  -2.942  -6.807
  573    HG2  GLU  69           HG2      GLU  69  -0.373  -2.690  -9.252
  574    HG3  GLU  69           HG3      GLU  69  -1.606  -3.930  -9.491
  575    H    GLN  70           H        GLN  70   2.522  -3.993  -8.174
  576    HA   GLN  70           HA       GLN  70   3.709  -4.138  -5.613
  577    HB2  GLN  70           HB2      GLN  70   5.692  -3.612  -6.637
  578    HB3  GLN  70           HB3      GLN  70   4.805  -4.347  -7.950
  579    HG2  GLN  70           HG2      GLN  70   5.387  -2.574  -9.140
  580    HG3  GLN  70           HG3      GLN  70   4.217  -1.667  -8.169
  581   HE21  GLN  70          HE21      GLN  70   5.880  -2.334  -5.778
  582   HE22  GLN  70          HE22      GLN  70   7.159  -1.157  -5.805
  583    H    PHE  71           H        PHE  71   3.735  -2.690  -4.057
  584    HA   PHE  71           HA       PHE  71   2.896   0.037  -4.604
  585    HB2  PHE  71           HB2      PHE  71   3.955  -1.218  -2.042
  586    HB3  PHE  71           HB3      PHE  71   3.242   0.381  -2.178
  587    HD1  PHE  71           HD2      PHE  71   2.200  -3.040  -3.293
  588    HD2  PHE  71           HD1      PHE  71   1.229   0.492  -1.135
  589    HE1  PHE  71           HE2      PHE  71  -0.002  -3.983  -2.754
  590    HE2  PHE  71           HE1      PHE  71  -0.973  -0.448  -0.581
  591    HZ   PHE  71           HZ       PHE  71  -1.593  -2.686  -1.393
  592    H    THR  72           H        THR  72   4.440   0.782  -5.896
  593    HA   THR  72           HA       THR  72   7.178   0.676  -5.672
  594    HB   THR  72           HB       THR  72   5.880   3.193  -6.637
  595    HG1  THR  72           HG1      THR  72   5.719   0.679  -7.995
  596   HG21  THR  72          HG21      THR  72   7.472   2.870  -8.480
  597   HG22  THR  72          HG22      THR  72   7.979   1.336  -7.771
  598   HG23  THR  72          HG23      THR  72   8.290   2.848  -6.918
  599    H    PHE  73           H        PHE  73   8.376   1.212  -4.147
  600    HA   PHE  73           HA       PHE  73   7.721   3.478  -2.448
  601    HB2  PHE  73           HB2      PHE  73   7.804   1.268  -1.316
  602    HB3  PHE  73           HB3      PHE  73   9.412   0.992  -1.951
  603    HD1  PHE  73           HD1      PHE  73   9.474   4.284  -1.136
  604    HD2  PHE  73           HD2      PHE  73   9.288   0.494   0.779
  605    HE1  PHE  73           HE1      PHE  73  10.418   5.278   0.905
  606    HE2  PHE  73           HE2      PHE  73  10.230   1.484   2.824
  607    HZ   PHE  73           HZ       PHE  73  10.831   3.679   2.963
  608    H    LYS  74           H        LYS  74   8.700   5.043  -3.685
  609    HA   LYS  74           HA       LYS  74  10.910   4.246  -5.378
  610    HB2  LYS  74           HB2      LYS  74   9.350   6.823  -5.352
  611    HB3  LYS  74           HB3      LYS  74  10.531   6.349  -6.566
  612    HG2  LYS  74           HG2      LYS  74   8.844   4.230  -6.617
  613    HG3  LYS  74           HG3      LYS  74   7.738   5.551  -6.233
  614    HD2  LYS  74           HD2      LYS  74   7.899   5.248  -8.642
  615    HD3  LYS  74           HD3      LYS  74   8.583   6.806  -8.167
  616    HE2  LYS  74           HE2      LYS  74  10.830   5.876  -8.276
  617    HE3  LYS  74           HE3      LYS  74  10.173   4.294  -8.696
  618    HZ1  LYS  74           HZ1      LYS  74  10.978   5.474 -10.641
  619    HZ2  LYS  74           HZ2      LYS  74   9.922   6.766 -10.329
  620    HZ3  LYS  74           HZ3      LYS  74   9.297   5.244 -10.739
  621    H    VAL  75           H        VAL  75  12.246   4.122  -3.435
  622    HA   VAL  75           HA       VAL  75  13.758   6.583  -3.203
  623    HB   VAL  75           HB       VAL  75  12.178   6.413  -1.211
  624   HG11  VAL  75          HG11      VAL  75  12.234   4.022  -0.849
  625   HG12  VAL  75          HG12      VAL  75  13.957   4.099  -0.476
  626   HG13  VAL  75          HG13      VAL  75  12.788   4.878   0.589
  627   HG21  VAL  75          HG21      VAL  75  14.165   7.788  -1.152
  628   HG22  VAL  75          HG22      VAL  75  13.893   7.027   0.416
  629   HG23  VAL  75          HG23      VAL  75  15.135   6.397  -0.666
  630    HA   PRO  76           HA       PRO  76  16.891   3.288  -3.777
  631    HB2  PRO  76           HB2      PRO  76  18.521   5.587  -2.724
  632    HB3  PRO  76           HB3      PRO  76  18.892   4.465  -4.046
  633    HG2  PRO  76           HG2      PRO  76  18.055   6.849  -4.708
  634    HG3  PRO  76           HG3      PRO  76  17.275   5.427  -5.486
  635    HD2  PRO  76           HD2      PRO  76  16.287   7.089  -3.155
  636    HD3  PRO  76           HD3      PRO  76  15.410   6.583  -4.621
  637    H    TYR  77           H        TYR  77  18.011   2.007  -2.200
  638    HA   TYR  77           HA       TYR  77  16.645   2.218   0.288
  639    HB2  TYR  77           HB2      TYR  77  17.736   0.192   0.993
  640    HB3  TYR  77           HB3      TYR  77  17.127   0.034  -0.649
  641    HD1  TYR  77           HD1      TYR  77  19.540   1.600  -1.843
  642    HD2  TYR  77           HD2      TYR  77  19.259  -1.718   0.805
  643    HE1  TYR  77           HE1      TYR  77  21.760   0.847  -2.563
  644    HE2  TYR  77           HE2      TYR  77  21.482  -2.483   0.081
  645    HH   TYR  77           HH       TYR  77  23.610  -0.516  -1.630
  646    H    SER  78           H        SER  78  19.935   2.974  -0.689
  647    HA   SER  78           HA       SER  78  20.915   3.769   1.817
  648    HB2  SER  78           HB2      SER  78  21.518   4.992  -0.887
  649    HB3  SER  78           HB3      SER  78  22.530   5.093   0.558
  650    HG   SER  78           HG       SER  78  22.387   2.643   0.417
  651    H    GLU  79           H        GLU  79  18.683   5.248  -0.375
  652    HA   GLU  79           HA       GLU  79  18.754   7.837   0.914
  653    HB2  GLU  79           HB2      GLU  79  18.438   7.477  -1.603
  654    HB3  GLU  79           HB3      GLU  79  16.828   6.890  -1.210
  655    HG2  GLU  79           HG2      GLU  79  16.418   9.094  -0.066
  656    HG3  GLU  79           HG3      GLU  79  17.930   9.648  -0.781
  657    H    LEU  80           H        LEU  80  17.098   4.856   1.110
  658    HA   LEU  80           HA       LEU  80  14.550   5.592   1.971
  659    HB2  LEU  80           HB2      LEU  80  14.429   3.382   1.615
  660    HB3  LEU  80           HB3      LEU  80  16.162   3.197   1.763
  661    HG   LEU  80           HG       LEU  80  14.419   3.294   4.237
  662   HD11  LEU  80          HD11      LEU  80  14.301   0.869   4.153
  663   HD12  LEU  80          HD12      LEU  80  13.503   1.576   2.750
  664   HD13  LEU  80          HD13      LEU  80  15.107   0.862   2.585
  665   HD21  LEU  80          HD21      LEU  80  17.093   2.028   3.608
  666   HD22  LEU  80          HD22      LEU  80  16.831   3.485   4.567
  667   HD23  LEU  80          HD23      LEU  80  16.245   1.927   5.152
  668    H    GLY  81           H        GLY  81  17.604   5.381   3.614
  669    HA2  GLY  81           HA3      GLY  81  17.069   5.142   6.228
  670    HA3  GLY  81           HA2      GLY  81  18.234   6.304   5.618
  671    H    GLY  82           H        GLY  82  16.654   8.309   4.571
  672    HA2  GLY  82           HA3      GLY  82  15.552   9.575   6.872
  673    HA3  GLY  82           HA2      GLY  82  15.473  10.171   5.230
  674    H    LYS  83           H        LYS  83  13.917   7.536   4.458
  675    HA   LYS  83           HA       LYS  83  11.597   9.374   4.620
  676    HB2  LYS  83           HB2      LYS  83  12.522   7.530   2.438
  677    HB3  LYS  83           HB3      LYS  83  10.945   8.308   2.426
  678    HG2  LYS  83           HG2      LYS  83  12.091   9.823   1.211
  679    HG3  LYS  83           HG3      LYS  83  12.418  10.461   2.821
  680    HD2  LYS  83           HD2      LYS  83  14.559   9.294   2.856
  681    HD3  LYS  83           HD3      LYS  83  14.239   8.649   1.245
  682    HE2  LYS  83           HE2      LYS  83  14.392  11.587   1.905
  683    HE3  LYS  83           HE3      LYS  83  15.742  10.643   1.283
  684    HZ1  LYS  83           HZ1      LYS  83  14.581  10.256  -0.745
  685    HZ2  LYS  83           HZ2      LYS  83  14.494  11.920  -0.423
  686    HZ3  LYS  83           HZ3      LYS  83  13.147  10.936  -0.139
  687    H    THR  84           H        THR  84   9.525   8.635   5.201
  688    HA   THR  84           HA       THR  84   9.532   5.825   6.120
  689    HB   THR  84           HB       THR  84   7.934   6.445   7.812
  690    HG1  THR  84           HG1      THR  84   7.042   8.087   6.203
  691   HG21  THR  84          HG21      THR  84   9.116   8.166   9.099
  692   HG22  THR  84          HG22      THR  84  10.027   8.619   7.658
  693   HG23  THR  84          HG23      THR  84  10.252   7.026   8.378
  694    H    LEU  85           H        LEU  85   8.107   4.508   5.295
  695    HA   LEU  85           HA       LEU  85   6.523   5.450   3.047
  696    HB2  LEU  85           HB2      LEU  85   7.592   3.718   2.165
  697    HB3  LEU  85           HB3      LEU  85   8.034   3.089   3.738
  698    HG   LEU  85           HG       LEU  85   5.459   2.360   3.672
  699   HD11  LEU  85          HD11      LEU  85   6.381   2.282   0.803
  700   HD12  LEU  85          HD12      LEU  85   4.948   1.475   1.441
  701   HD13  LEU  85          HD13      LEU  85   5.047   3.236   1.449
  702   HD21  LEU  85          HD21      LEU  85   7.485   1.013   4.141
  703   HD22  LEU  85          HD22      LEU  85   6.276   0.154   3.173
  704   HD23  LEU  85          HD23      LEU  85   7.712   0.822   2.400
  705    H    VAL  86           H        VAL  86   4.382   5.358   2.896
  706    HA   VAL  86           HA       VAL  86   2.901   3.756   4.832
  707    HB   VAL  86           HB       VAL  86   1.036   5.361   4.763
  708   HG11  VAL  86          HG11      VAL  86   2.069   7.043   6.229
  709   HG12  VAL  86          HG12      VAL  86   2.608   5.407   6.613
  710   HG13  VAL  86          HG13      VAL  86   3.666   6.497   5.718
  711   HG21  VAL  86          HG21      VAL  86   3.012   7.133   3.316
  712   HG22  VAL  86          HG22      VAL  86   1.517   6.472   2.655
  713   HG23  VAL  86          HG23      VAL  86   1.457   7.656   3.961
  714    H    MET  87           H        MET  87   1.270   2.603   4.079
  715    HA   MET  87           HA       MET  87   0.581   2.813   1.215
  716    HB2  MET  87           HB2      MET  87   0.620   0.302   2.915
  717    HB3  MET  87           HB3      MET  87   0.176   0.390   1.218
  718    HG2  MET  87           HG2      MET  87   2.391   0.879   0.565
  719    HG3  MET  87           HG3      MET  87   2.889   1.172   2.231
  720    HE1  MET  87           HE1      MET  87   2.690  -2.415   3.773
  721    HE2  MET  87           HE2      MET  87   3.022  -0.711   4.077
  722    HE3  MET  87           HE3      MET  87   1.378  -1.239   3.713
  723    H    ALA  88           H        ALA  88  -1.671   2.856   0.784
  724    HA   ALA  88           HA       ALA  88  -3.383   2.870   3.177
  725    HB1  ALA  88           HB1      ALA  88  -4.360   5.074   2.392
  726    HB2  ALA  88           HB2      ALA  88  -2.731   5.145   3.092
  727    HB3  ALA  88           HB3      ALA  88  -2.938   5.211   1.343
  728    H    VAL  89           H        VAL  89  -5.027   1.525   2.659
  729    HA   VAL  89           HA       VAL  89  -5.870   1.329  -0.103
  730    HB   VAL  89           HB       VAL  89  -7.268   0.095   2.268
  731   HG11  VAL  89          HG11      VAL  89  -7.970  -1.566   0.606
  732   HG12  VAL  89          HG12      VAL  89  -8.491   0.062   0.171
  733   HG13  VAL  89          HG13      VAL  89  -7.109  -0.669  -0.645
  734   HG21  VAL  89          HG21      VAL  89  -4.942  -0.556   2.413
  735   HG22  VAL  89          HG22      VAL  89  -5.910  -1.923   1.861
  736   HG23  VAL  89          HG23      VAL  89  -4.933  -1.010   0.709
  737    H    TYR  90           H        TYR  90  -7.225   2.715  -0.950
  738    HA   TYR  90           HA       TYR  90  -8.787   4.451   0.806
  739    HB2  TYR  90           HB2      TYR  90  -7.038   5.642  -0.406
  740    HB3  TYR  90           HB3      TYR  90  -7.535   4.909  -1.922
  741    HD1  TYR  90           HD2      TYR  90  -9.883   5.532  -2.805
  742    HD2  TYR  90           HD1      TYR  90  -7.896   7.746   0.228
  743    HE1  TYR  90           HE2      TYR  90 -11.337   7.453  -3.265
  744    HE2  TYR  90           HE1      TYR  90  -9.358   9.671  -0.218
  745    HH   TYR  90           HH       TYR  90 -10.702  10.480  -2.392
  746    H    ASP  91           H        ASP  91 -10.809   4.420   0.595
  747    HA   ASP  91           HA       ASP  91 -12.173   2.927  -1.500
  748    HB2  ASP  91           HB2      ASP  91 -12.660   2.640   0.924
  749    HB3  ASP  91           HB3      ASP  91 -13.280   4.293   0.954
  750    H    PHE  92           H        PHE  92 -12.854   4.074  -3.274
  751    HA   PHE  92           HA       PHE  92 -12.775   6.978  -3.101
  752    HB2  PHE  92           HB2      PHE  92 -11.864   5.576  -5.045
  753    HB3  PHE  92           HB3      PHE  92 -13.539   5.304  -5.502
  754    HD1  PHE  92           HD2      PHE  92 -10.933   7.877  -5.081
  755    HD2  PHE  92           HD1      PHE  92 -14.759   6.945  -6.687
  756    HE1  PHE  92           HE2      PHE  92 -10.887   9.964  -6.383
  757    HE2  PHE  92           HE1      PHE  92 -14.721   9.028  -7.997
  758    HZ   PHE  92           HZ       PHE  92 -12.782  10.543  -7.843
  759    H    ASP  93           H        ASP  93 -14.572   7.415  -1.748
  760    HA   ASP  93           HA       ASP  93 -17.186   6.645  -2.852
  761    HB2  ASP  93           HB2      ASP  93 -17.943   6.641  -0.628
  762    HB3  ASP  93           HB3      ASP  93 -16.260   6.157  -0.450
  763    H    ARG  94           H        ARG  94 -15.066   9.155  -2.724
  764    HA   ARG  94           HA       ARG  94 -15.061  11.386  -3.007
  765    HB2  ARG  94           HB2      ARG  94 -17.757  10.842  -4.222
  766    HB3  ARG  94           HB3      ARG  94 -16.873  12.355  -4.377
  767    HG2  ARG  94           HG2      ARG  94 -15.030  11.134  -5.459
  768    HG3  ARG  94           HG3      ARG  94 -15.987   9.655  -5.368
  769    HD2  ARG  94           HD2      ARG  94 -16.200  10.618  -7.567
  770    HD3  ARG  94           HD3      ARG  94 -17.740  10.744  -6.717
  771    HE   ARG  94           HE       ARG  94 -16.768  13.125  -6.178
  772   HH11  ARG  94          HH12      ARG  94 -16.612  11.341  -9.181
  773   HH12  ARG  94          HH11      ARG  94 -16.546  12.757 -10.180
  774   HH21  ARG  94          HH22      ARG  94 -16.749  15.001  -7.479
  775   HH22  ARG  94          HH21      ARG  94 -16.656  14.844  -9.210
  776    H    PHE  95           H        PHE  95 -18.026  10.340  -1.237
  777    HA   PHE  95           HA       PHE  95 -18.014  12.744   0.333
  778    HB2  PHE  95           HB2      PHE  95 -18.919  13.573  -1.864
  779    HB3  PHE  95           HB3      PHE  95 -20.286  12.489  -1.649
  780    HD1  PHE  95           HD1      PHE  95 -18.573  15.446  -0.245
  781    HD2  PHE  95           HD2      PHE  95 -22.108  13.077  -0.284
  782    HE1  PHE  95           HE1      PHE  95 -19.746  17.178   1.050
  783    HE2  PHE  95           HE2      PHE  95 -23.285  14.808   1.003
  784    HZ   PHE  95           HZ       PHE  95 -22.103  16.891   1.629
  785    H    SER  96           H        SER  96 -19.798  10.088  -0.896
  786    HA   SER  96           HA       SER  96 -21.699   9.725   1.124
  787    HB2  SER  96           HB2      SER  96 -22.182   7.637  -0.062
  788    HB3  SER  96           HB3      SER  96 -21.945   8.955  -1.201
  789    HG   SER  96           HG       SER  96 -19.583   7.760  -0.694
  790    H    LYS  97           H        LYS  97 -21.087   6.733   1.120
  791    HA   LYS  97           HA       LYS  97 -20.262   6.474   3.727
  792    HB2  LYS  97           HB2      LYS  97 -20.109   4.463   1.481
  793    HB3  LYS  97           HB3      LYS  97 -19.912   4.069   3.181
  794    HG2  LYS  97           HG2      LYS  97 -22.395   5.179   1.889
  795    HG3  LYS  97           HG3      LYS  97 -22.145   3.520   2.439
  796    HD2  LYS  97           HD2      LYS  97 -21.852   4.366   4.743
  797    HD3  LYS  97           HD3      LYS  97 -22.197   5.998   4.166
  798    HE2  LYS  97           HE2      LYS  97 -24.205   5.120   5.108
  799    HE3  LYS  97           HE3      LYS  97 -24.406   5.157   3.357
  800    HZ1  LYS  97           HZ1      LYS  97 -23.693   2.759   4.962
  801    HZ2  LYS  97           HZ2      LYS  97 -23.906   2.792   3.281
  802    HZ3  LYS  97           HZ3      LYS  97 -25.223   3.088   4.309
  803    H    HIS  98           H        HIS  98 -18.310   5.484   4.564
  804    HA   HIS  98           HA       HIS  98 -16.814   7.759   4.520
  805    HB2  HIS  98           HB2      HIS  98 -17.305   6.318   6.441
  806    HB3  HIS  98           HB3      HIS  98 -16.177   5.122   5.824
  807    HD1  HIS  98           HD1      HIS  98 -14.255   5.160   7.369
  808    HD2  HIS  98           HD2      HIS  98 -15.545   8.990   6.426
  809    HE1  HIS  98           HE1      HIS  98 -12.661   6.708   8.537
  810    HE2  HIS  98           HE2      HIS  98 -13.316   9.005   7.740
  811    H    ASP  99           H        ASP  99 -15.065   8.460   3.821
  812    HA   ASP  99           HA       ASP  99 -13.178   7.426   2.091
  813    HB2  ASP  99           HB2      ASP  99 -11.748   9.311   2.840
  814    HB3  ASP  99           HB3      ASP  99 -13.393   9.813   2.467
  815    H    ILE 100           H        ILE 100 -10.508   7.317   3.165
  816    HA   ILE 100           HA       ILE 100 -11.109   4.792   2.381
  817    HB   ILE 100           HB       ILE 100  -8.916   4.696   1.940
  818   HG12  ILE 100          HG12      ILE 100  -8.416   5.475   4.823
  819   HG13  ILE 100          HG13      ILE 100  -8.206   3.897   4.081
  820   HG21  ILE 100          HG21      ILE 100  -7.745   6.840   2.049
  821   HG22  ILE 100          HG22      ILE 100  -9.417   7.038   1.521
  822   HG23  ILE 100          HG23      ILE 100  -8.960   7.445   3.176
  823   HD11  ILE 100          HD11      ILE 100  -6.074   4.982   4.497
  824   HD12  ILE 100          HD12      ILE 100  -6.346   4.731   2.772
  825   HD13  ILE 100          HD13      ILE 100  -6.563   6.334   3.474
  826    H    ILE 101           H        ILE 101 -10.532   2.787   3.014
  827    HA   ILE 101           HA       ILE 101 -11.876   2.089   5.404
  828    HB   ILE 101           HB       ILE 101 -11.719  -0.189   4.577
  829   HG12  ILE 101          HG12      ILE 101  -9.743   0.985   2.615
  830   HG13  ILE 101          HG13      ILE 101  -9.498  -0.353   3.732
  831   HG21  ILE 101          HG21      ILE 101 -12.265   1.790   2.364
  832   HG22  ILE 101          HG22      ILE 101 -12.831   0.120   2.418
  833   HG23  ILE 101          HG23      ILE 101 -13.402   1.283   3.613
  834   HD11  ILE 101          HD11      ILE 101 -11.037  -1.730   2.454
  835   HD12  ILE 101          HD12      ILE 101 -11.327  -0.393   1.342
  836   HD13  ILE 101          HD13      ILE 101  -9.726  -1.130   1.436
  837    H    GLY 102           H        GLY 102  -8.513   1.681   4.270
  838    HA2  GLY 102           HA3      GLY 102  -7.552   1.619   6.955
  839    HA3  GLY 102           HA2      GLY 102  -7.579   0.005   6.249
  840    H    GLU 103           H        GLU 103  -5.207   0.525   6.872
  841    HA   GLU 103           HA       GLU 103  -3.604   1.413   4.702
  842    HB2  GLU 103           HB2      GLU 103  -4.455   3.600   5.299
  843    HB3  GLU 103           HB3      GLU 103  -4.173   3.299   7.005
  844    HG2  GLU 103           HG2      GLU 103  -1.732   3.212   6.488
  845    HG3  GLU 103           HG3      GLU 103  -2.122   3.762   4.858
  846    H    PHE 104           H        PHE 104  -1.295   1.349   5.375
  847    HA   PHE 104           HA       PHE 104  -0.788   0.494   8.099
  848    HB2  PHE 104           HB2      PHE 104  -1.070  -1.630   6.723
  849    HB3  PHE 104           HB3      PHE 104   0.425  -1.158   5.899
  850    HD1  PHE 104           HD1      PHE 104  -1.005  -1.865   9.255
  851    HD2  PHE 104           HD2      PHE 104   2.505  -1.529   6.879
  852    HE1  PHE 104           HE1      PHE 104   0.317  -2.869  11.069
  853    HE2  PHE 104           HE2      PHE 104   3.836  -2.522   8.692
  854    HZ   PHE 104           HZ       PHE 104   2.724  -2.952  10.925
  855    H    LYS 105           H        LYS 105   1.271   1.087   8.749
  856    HA   LYS 105           HA       LYS 105   2.705   2.736   6.779
  857    HB2  LYS 105           HB2      LYS 105   2.497   3.159   9.766
  858    HB3  LYS 105           HB3      LYS 105   3.466   4.132   8.671
  859    HG2  LYS 105           HG2      LYS 105   1.251   4.611   7.459
  860    HG3  LYS 105           HG3      LYS 105   0.486   4.000   8.930
  861    HD2  LYS 105           HD2      LYS 105   1.748   5.647  10.250
  862    HD3  LYS 105           HD3      LYS 105   2.475   6.251   8.761
  863    HE2  LYS 105           HE2      LYS 105   0.649   7.689   9.485
  864    HE3  LYS 105           HE3      LYS 105   0.276   6.917   7.946
  865    HZ1  LYS 105           HZ1      LYS 105  -1.306   5.572   8.895
  866    HZ2  LYS 105           HZ2      LYS 105  -1.502   6.998   9.790
  867    HZ3  LYS 105           HZ3      LYS 105  -0.648   5.690  10.459
  868    H    VAL 106           H        VAL 106   4.841   2.416   6.518
  869    HA   VAL 106           HA       VAL 106   6.156   0.471   8.264
  870    HB   VAL 106           HB       VAL 106   6.170   0.255   5.238
  871   HG11  VAL 106          HG11      VAL 106   8.256  -0.438   6.314
  872   HG12  VAL 106          HG12      VAL 106   7.356  -1.555   7.339
  873   HG13  VAL 106          HG13      VAL 106   7.410  -1.807   5.594
  874   HG21  VAL 106          HG21      VAL 106   4.929  -1.822   5.497
  875   HG22  VAL 106          HG22      VAL 106   4.828  -1.561   7.238
  876   HG23  VAL 106          HG23      VAL 106   4.009  -0.458   6.132
  877    HA   PRO 107           HA       PRO 107   8.779   4.048   7.421
  878    HB2  PRO 107           HB2      PRO 107  10.389   3.601   9.602
  879    HB3  PRO 107           HB3      PRO 107   8.924   4.589   9.630
  880    HG2  PRO 107           HG2      PRO 107   9.355   1.806  10.545
  881    HG3  PRO 107           HG3      PRO 107   8.295   3.054  11.218
  882    HD2  PRO 107           HD2      PRO 107   7.446   0.968   9.678
  883    HD3  PRO 107           HD3      PRO 107   6.584   2.513   9.794
  884    H    MET 108           H        MET 108  10.636   4.088   6.428
  885    HA   MET 108           HA       MET 108  11.659   1.948   5.054
  886    HB2  MET 108           HB2      MET 108  13.550   3.530   4.699
  887    HB3  MET 108           HB3      MET 108  12.002   4.292   4.419
  888    HG2  MET 108           HG2      MET 108  13.975   4.753   6.601
  889    HG3  MET 108           HG3      MET 108  13.106   5.879   5.586
  890    HE1  MET 108           HE1      MET 108  12.797   7.540   7.600
  891    HE2  MET 108           HE2      MET 108  12.079   7.084   9.145
  892    HE3  MET 108           HE3      MET 108  13.650   6.434   8.675
  893    H    ASN 109           H        ASN 109  12.381   3.336   8.107
  894    HA   ASN 109           HA       ASN 109  15.066   2.313   8.266
  895    HB2  ASN 109           HB2      ASN 109  13.295   3.692  10.253
  896    HB3  ASN 109           HB3      ASN 109  14.852   3.021  10.737
  897   HD21  ASN 109          HD21      ASN 109  14.705   4.027   7.524
  898   HD22  ASN 109          HD22      ASN 109  15.422   5.608   7.662
  899    H    THR 110           H        THR 110  12.019   0.907   8.967
  900    HA   THR 110           HA       THR 110  13.190  -0.804  11.039
  901    HB   THR 110           HB       THR 110  10.364  -0.968   9.999
  902    HG1  THR 110           HG1      THR 110  11.576   0.997  11.560
  903   HG21  THR 110          HG21      THR 110  11.085  -2.798  11.434
  904   HG22  THR 110          HG22      THR 110   9.905  -1.791  12.275
  905   HG23  THR 110          HG23      THR 110  11.621  -1.650  12.661
  906    H    VAL 111           H        VAL 111  11.978  -0.970   7.738
  907    HA   VAL 111           HA       VAL 111  12.745  -3.791   7.653
  908    HB   VAL 111           HB       VAL 111  11.330  -2.248   5.483
  909   HG11  VAL 111          HG11      VAL 111  10.803  -4.480   4.620
  910   HG12  VAL 111          HG12      VAL 111  12.545  -4.227   4.721
  911   HG13  VAL 111          HG13      VAL 111  11.727  -5.208   5.935
  912   HG21  VAL 111          HG21      VAL 111   9.284  -3.338   6.237
  913   HG22  VAL 111          HG22      VAL 111  10.159  -4.090   7.571
  914   HG23  VAL 111          HG23      VAL 111   9.962  -2.339   7.522
  915    H    ASP 112           H        ASP 112  14.838  -4.131   7.132
  916    HA   ASP 112           HA       ASP 112  16.102  -2.311   5.258
  917    HB2  ASP 112           HB2      ASP 112  18.151  -3.444   5.622
  918    HB3  ASP 112           HB3      ASP 112  17.378  -3.308   7.193
  919    H    PHE 113           H        PHE 113  15.713  -2.476   3.191
  920    HA   PHE 113           HA       PHE 113  14.652  -4.982   2.135
  921    HB2  PHE 113           HB2      PHE 113  14.780  -2.213   0.940
  922    HB3  PHE 113           HB3      PHE 113  14.102  -3.614   0.125
  923    HD1  PHE 113           HD2      PHE 113  11.973  -4.558   0.845
  924    HD2  PHE 113           HD1      PHE 113  13.607  -1.093   2.695
  925    HE1  PHE 113           HE2      PHE 113   9.771  -4.040   1.810
  926    HE2  PHE 113           HE1      PHE 113  11.407  -0.564   3.661
  927    HZ   PHE 113           HZ       PHE 113   9.483  -2.039   3.217
  928    H    GLY 114           H        GLY 114  16.972  -5.763   2.445
  929    HA2  GLY 114           HA3      GLY 114  18.878  -4.971   0.457
  930    HA3  GLY 114           HA2      GLY 114  18.995  -6.375   1.511
  931    H    HIS 115           H        HIS 115  16.929  -7.905   0.925
  932    HA   HIS 115           HA       HIS 115  17.151  -8.389  -1.965
  933    HB2  HIS 115           HB2      HIS 115  18.241 -10.055  -0.276
  934    HB3  HIS 115           HB3      HIS 115  16.590 -10.582   0.017
  935    HD1  HIS 115           HD1      HIS 115  19.427 -11.125  -2.177
  936    HD2  HIS 115           HD2      HIS 115  15.305 -11.603  -2.429
  937    HE1  HIS 115           HE1      HIS 115  19.041 -12.658  -4.131
  938    HE2  HIS 115           HE2      HIS 115  16.553 -13.077  -4.149
  939    H    VAL 116           H        VAL 116  15.025 -10.484  -0.284
  940    HA   VAL 116           HA       VAL 116  12.740  -8.778  -1.046
  941    HB   VAL 116           HB       VAL 116  12.892 -11.794  -1.227
  942   HG11  VAL 116          HG11      VAL 116  10.657 -11.655  -2.222
  943   HG12  VAL 116          HG12      VAL 116  10.669 -11.054  -0.564
  944   HG13  VAL 116          HG13      VAL 116  10.632  -9.918  -1.912
  945   HG21  VAL 116          HG21      VAL 116  14.115 -10.671  -3.019
  946   HG22  VAL 116          HG22      VAL 116  12.664 -11.465  -3.632
  947   HG23  VAL 116          HG23      VAL 116  12.680  -9.717  -3.401
  948    H    THR 117           H        THR 117  11.555  -8.155   0.693
  949    HA   THR 117           HA       THR 117  11.463  -9.923   3.026
  950    HB   THR 117           HB       THR 117  10.231  -7.196   2.572
  951    HG1  THR 117           HG1      THR 117  12.591  -8.172   3.752
  952   HG21  THR 117          HG21      THR 117  10.377  -8.864   5.093
  953   HG22  THR 117          HG22      THR 117   8.912  -8.496   4.182
  954   HG23  THR 117          HG23      THR 117   9.796  -7.201   4.991
  955    H    GLU 118           H        GLU 118   9.894 -11.399   3.233
  956    HA   GLU 118           HA       GLU 118   7.370 -11.026   1.761
  957    HB2  GLU 118           HB2      GLU 118   8.554 -13.624   2.765
  958    HB3  GLU 118           HB3      GLU 118   7.155 -13.434   1.716
  959    HG2  GLU 118           HG2      GLU 118   8.522 -12.680  -0.087
  960    HG3  GLU 118           HG3      GLU 118   9.943 -12.604   0.954
  961    H    GLU 119           H        GLU 119   5.770 -10.275   3.155
  962    HA   GLU 119           HA       GLU 119   5.211 -12.074   5.338
  963    HB2  GLU 119           HB2      GLU 119   5.036 -10.347   7.042
  964    HB3  GLU 119           HB3      GLU 119   6.694 -10.531   6.473
  965    HG2  GLU 119           HG2      GLU 119   6.593  -8.521   5.238
  966    HG3  GLU 119           HG3      GLU 119   4.842  -8.412   5.426
  967    H    TRP 120           H        TRP 120   3.240 -11.734   6.303
  968    HA   TRP 120           HA       TRP 120   1.253 -10.671   4.445
  969    HB2  TRP 120           HB2      TRP 120   0.582 -12.091   7.010
  970    HB3  TRP 120           HB3      TRP 120  -0.306 -12.077   5.491
  971    HD1  TRP 120           HD1      TRP 120   0.962 -14.616   7.350
  972    HE1  TRP 120           HE1      TRP 120   2.179 -16.472   6.044
  973    HE3  TRP 120           HE3      TRP 120   1.895 -12.077   3.019
  974    HZ2  TRP 120           HZ2      TRP 120   3.373 -16.805   3.509
  975    HZ3  TRP 120           HZ3      TRP 120   3.070 -13.222   1.202
  976    HH2  TRP 120           HH2      TRP 120   3.804 -15.546   1.440
  977    H    ARG 121           H        ARG 121   0.807  -8.554   4.742
  978    HA   ARG 121           HA       ARG 121   1.182  -7.529   7.474
  979    HB2  ARG 121           HB2      ARG 121   2.811  -6.866   5.772
  980    HB3  ARG 121           HB3      ARG 121   1.529  -6.151   4.812
  981    HG2  ARG 121           HG2      ARG 121   2.574  -4.376   5.949
  982    HG3  ARG 121           HG3      ARG 121   1.082  -4.672   6.845
  983    HD2  ARG 121           HD2      ARG 121   3.582  -6.078   7.662
  984    HD3  ARG 121           HD3      ARG 121   3.372  -4.387   8.099
  985    HE   ARG 121           HE       ARG 121   1.124  -5.339   9.041
  986   HH11  ARG 121          HH12      ARG 121   4.255  -6.900   9.153
  987   HH12  ARG 121          HH11      ARG 121   3.959  -7.641  10.707
  988   HH21  ARG 121          HH22      ARG 121   0.724  -6.313  11.041
  989   HH22  ARG 121          HH21      ARG 121   1.950  -7.312  11.775
  990    H    ASP 122           H        ASP 122  -0.284  -5.908   8.280
  991    HA   ASP 122           HA       ASP 122  -2.953  -6.667   7.381
  992    HB2  ASP 122           HB2      ASP 122  -3.661  -6.165   9.686
  993    HB3  ASP 122           HB3      ASP 122  -2.377  -7.369   9.653
  994    H    LEU 123           H        LEU 123  -4.529  -5.155   7.002
  995    HA   LEU 123           HA       LEU 123  -3.475  -2.409   6.665
  996    HB2  LEU 123           HB2      LEU 123  -6.073  -3.719   5.890
  997    HB3  LEU 123           HB3      LEU 123  -5.727  -2.020   5.609
  998    HG   LEU 123           HG       LEU 123  -5.298  -3.035   3.543
  999   HD11  LEU 123          HD11      LEU 123  -2.859  -2.865   3.233
 1000   HD12  LEU 123          HD12      LEU 123  -3.525  -1.517   4.158
 1001   HD13  LEU 123          HD13      LEU 123  -2.659  -2.811   4.987
 1002   HD21  LEU 123          HD21      LEU 123  -3.963  -5.060   3.243
 1003   HD22  LEU 123          HD22      LEU 123  -3.748  -5.176   4.992
 1004   HD23  LEU 123          HD23      LEU 123  -5.356  -5.354   4.290
 1005    H    GLN 124           H        GLN 124  -3.629  -1.180   8.604
 1006    HA   GLN 124           HA       GLN 124  -5.871  -1.739  10.331
 1007    HB2  GLN 124           HB2      GLN 124  -4.935  -0.002  11.805
 1008    HB3  GLN 124           HB3      GLN 124  -3.689  -1.152  11.333
 1009    HG2  GLN 124           HG2      GLN 124  -2.698   0.359   9.853
 1010    HG3  GLN 124           HG3      GLN 124  -4.106   1.416   9.858
 1011   HE21  GLN 124          HE21      GLN 124  -2.948   3.210  10.405
 1012   HE22  GLN 124          HE22      GLN 124  -2.248   3.453  11.968
 1013    H    SER 125           H        SER 125  -7.675  -0.506  10.552
 1014    HA   SER 125           HA       SER 125  -8.391   1.029   8.307
 1015    HB2  SER 125           HB2      SER 125  -9.839   0.859  10.961
 1016    HB3  SER 125           HB3      SER 125 -10.524   1.404   9.428
 1017    HG   SER 125           HG       SER 125  -9.980  -0.740   8.619
 1018    H    ALA 126           H        ALA 126  -7.614   2.987   7.930
 1019    HA   ALA 126           HA       ALA 126  -7.034   4.723  10.197
 1020    HB1  ALA 126           HB1      ALA 126  -6.403   5.112   7.272
 1021    HB2  ALA 126           HB2      ALA 126  -5.836   6.115   8.607
 1022    HB3  ALA 126           HB3      ALA 126  -5.304   4.439   8.477
 1023    H    GLU 127           H        GLU 127  -8.074   6.522  10.604
 1024    HA   GLU 127           HA       GLU 127 -10.416   7.188   8.956
 1025    HB2  GLU 127           HB2      GLU 127 -10.903   6.464  11.255
 1026    HB3  GLU 127           HB3      GLU 127  -9.870   7.738  11.881
 1027    HG2  GLU 127           HG2      GLU 127 -11.370   9.424  11.014
 1028    HG3  GLU 127           HG3      GLU 127 -12.387   8.177  10.288
 1029    H    LYS 128           H        LYS 128  -9.325   8.519   7.510
 1030    HA   LYS 128           HA       LYS 128  -7.861  10.791   8.663
 1031    HB2  LYS 128           HB2      LYS 128  -7.514   9.301   6.068
 1032    HB3  LYS 128           HB3      LYS 128  -6.706  10.818   6.403
 1033    HG2  LYS 128           HG2      LYS 128  -5.794   9.676   8.497
 1034    HG3  LYS 128           HG3      LYS 128  -6.356   8.171   7.774
 1035    HD2  LYS 128           HD2      LYS 128  -4.379  10.102   6.567
 1036    HD3  LYS 128           HD3      LYS 128  -3.997   8.546   7.302
 1037    HE2  LYS 128           HE2      LYS 128  -5.364   7.431   5.580
 1038    HE3  LYS 128           HE3      LYS 128  -5.659   9.000   4.828
 1039    HZ1  LYS 128           HZ1      LYS 128  -3.135   7.473   5.001
 1040    HZ2  LYS 128           HZ2      LYS 128  -3.114   9.155   4.758
 1041    HZ3  LYS 128           HZ3      LYS 128  -3.887   8.149   3.633
  Start of MODEL   12
    1    H1   GLU   1           H1       GLU   1 -12.228  -1.896  14.286
    2    H2   GLU   1           H2       GLU   1 -11.234  -0.591  14.728
    3    H3   GLU   1           H3       GLU   1 -10.567  -2.142  14.539
    4    HA   GLU   1           HA       GLU   1 -11.808  -0.566  12.360
    5    HB2  GLU   1           HB2      GLU   1  -9.661   0.070  11.646
    6    HB3  GLU   1           HB3      GLU   1  -9.582   0.244  13.384
    7    HG2  GLU   1           HG2      GLU   1  -8.651  -2.236  12.016
    8    HG3  GLU   1           HG3      GLU   1  -7.601  -0.833  12.240
    9    H    LYS   2           H        LYS   2 -10.976  -1.565  10.175
   10    HA   LYS   2           HA       LYS   2 -11.110  -4.496  10.482
   11    HB2  LYS   2           HB2      LYS   2 -12.112  -2.930   8.110
   12    HB3  LYS   2           HB3      LYS   2 -12.422  -4.622   8.489
   13    HG2  LYS   2           HG2      LYS   2 -13.518  -2.204   9.909
   14    HG3  LYS   2           HG3      LYS   2 -14.412  -3.353   8.910
   15    HD2  LYS   2           HD2      LYS   2 -12.949  -4.140  11.416
   16    HD3  LYS   2           HD3      LYS   2 -14.638  -3.627  11.417
   17    HE2  LYS   2           HE2      LYS   2 -15.251  -5.457   9.988
   18    HE3  LYS   2           HE3      LYS   2 -13.560  -5.917   9.779
   19    HZ1  LYS   2           HZ1      LYS   2 -14.901  -7.242  11.445
   20    HZ2  LYS   2           HZ2      LYS   2 -14.846  -5.865  12.442
   21    HZ3  LYS   2           HZ3      LYS   2 -13.411  -6.634  11.980
   22    H    LEU   3           H        LEU   3  -8.879  -4.660  10.387
   23    HA   LEU   3           HA       LEU   3  -7.403  -3.272   8.519
   24    HB2  LEU   3           HB2      LEU   3  -6.241  -5.439  10.185
   25    HB3  LEU   3           HB3      LEU   3  -5.514  -3.930   9.668
   26    HG   LEU   3           HG       LEU   3  -7.536  -3.061  11.277
   27   HD11  LEU   3          HD11      LEU   3  -8.064  -5.333  11.975
   28   HD12  LEU   3          HD12      LEU   3  -6.396  -5.567  12.496
   29   HD13  LEU   3          HD13      LEU   3  -7.420  -4.390  13.319
   30   HD21  LEU   3          HD21      LEU   3  -5.412  -2.094  11.382
   31   HD22  LEU   3          HD22      LEU   3  -5.695  -2.785  12.982
   32   HD23  LEU   3          HD23      LEU   3  -4.644  -3.625  11.838
   33    H    GLY   4           H        GLY   4  -8.341  -6.663   9.021
   34    HA2  GLY   4           HA3      GLY   4  -8.118  -8.401   7.509
   35    HA3  GLY   4           HA2      GLY   4  -7.934  -7.158   6.263
   36    H    LYS   5           H        LYS   5  -6.262  -8.626   5.398
   37    HA   LYS   5           HA       LYS   5  -3.875  -7.220   6.278
   38    HB2  LYS   5           HB2      LYS   5  -3.995 -10.191   6.215
   39    HB3  LYS   5           HB3      LYS   5  -2.503  -9.399   5.761
   40    HG2  LYS   5           HG2      LYS   5  -2.757  -8.167   8.013
   41    HG3  LYS   5           HG3      LYS   5  -3.894  -9.458   8.407
   42    HD2  LYS   5           HD2      LYS   5  -2.197 -11.127   8.105
   43    HD3  LYS   5           HD3      LYS   5  -1.062  -9.926   7.481
   44    HE2  LYS   5           HE2      LYS   5  -1.187  -8.765   9.678
   45    HE3  LYS   5           HE3      LYS   5  -2.168 -10.101  10.281
   46    HZ1  LYS   5           HZ1      LYS   5   0.050 -10.511  10.934
   47    HZ2  LYS   5           HZ2      LYS   5   0.657 -10.191   9.387
   48    HZ3  LYS   5           HZ3      LYS   5  -0.265 -11.587   9.662
   49    H    LEU   6           H        LEU   6  -2.255  -7.091   4.665
   50    HA   LEU   6           HA       LEU   6  -3.088  -8.101   2.064
   51    HB2  LEU   6           HB2      LEU   6  -2.861  -6.089   1.100
   52    HB3  LEU   6           HB3      LEU   6  -2.821  -5.426   2.746
   53    HG   LEU   6           HG       LEU   6  -0.223  -6.288   1.791
   54   HD11  LEU   6          HD11      LEU   6  -1.579  -4.020   0.345
   55   HD12  LEU   6          HD12      LEU   6   0.123  -4.474   0.220
   56   HD13  LEU   6          HD13      LEU   6  -1.122  -5.579  -0.363
   57   HD21  LEU   6          HD21      LEU   6  -1.293  -3.645   2.817
   58   HD22  LEU   6          HD22      LEU   6  -0.602  -4.930   3.818
   59   HD23  LEU   6          HD23      LEU   6   0.412  -4.077   2.651
   60    H    GLN   7           H        GLN   7  -1.873  -9.792   1.818
   61    HA   GLN   7           HA       GLN   7   0.779  -9.765   3.026
   62    HB2  GLN   7           HB2      GLN   7  -0.232 -12.188   1.632
   63    HB3  GLN   7           HB3      GLN   7   0.647 -12.055   3.145
   64    HG2  GLN   7           HG2      GLN   7  -1.324 -12.679   4.010
   65    HG3  GLN   7           HG3      GLN   7  -1.655 -10.950   3.906
   66   HE21  GLN   7          HE21      GLN   7  -1.724 -11.348   0.838
   67   HE22  GLN   7          HE22      GLN   7  -3.350 -11.927   0.577
   68    H    TYR   8           H        TYR   8   2.200  -8.732   1.526
   69    HA   TYR   8           HA       TYR   8   3.063 -10.837   0.049
   70    HB2  TYR   8           HB2      TYR   8   1.491  -9.412  -1.657
   71    HB3  TYR   8           HB3      TYR   8   3.167  -9.170  -2.203
   72    HD1  TYR   8           HD1      TYR   8   4.702 -11.164  -2.375
   73    HD2  TYR   8           HD2      TYR   8   0.523 -11.623  -1.763
   74    HE1  TYR   8           HE1      TYR   8   4.892 -13.548  -2.920
   75    HE2  TYR   8           HE2      TYR   8   0.698 -14.008  -2.330
   76    HH   TYR   8           HH       TYR   8   3.641 -15.643  -2.445
   77    H    SER   9           H        SER   9   4.817  -9.418  -1.843
   78    HA   SER   9           HA       SER   9   6.939  -8.957   0.087
   79    HB2  SER   9           HB2      SER   9   8.327 -10.678  -1.076
   80    HB3  SER   9           HB3      SER   9   6.929 -11.381  -0.265
   81    HG   SER   9           HG       SER   9   6.857 -10.634  -2.994
   82    H    LEU  10           H        LEU  10   8.022  -7.316  -0.602
   83    HA   LEU  10           HA       LEU  10   8.105  -6.557  -3.419
   84    HB2  LEU  10           HB2      LEU  10   8.463  -4.249  -1.953
   85    HB3  LEU  10           HB3      LEU  10   6.986  -4.755  -2.752
   86    HG   LEU  10           HG       LEU  10   7.598  -5.532   0.106
   87   HD11  LEU  10          HD11      LEU  10   7.638  -3.086  -0.223
   88   HD12  LEU  10          HD12      LEU  10   5.992  -3.201  -0.847
   89   HD13  LEU  10          HD13      LEU  10   6.332  -3.656   0.822
   90   HD21  LEU  10          HD21      LEU  10   5.802  -6.801  -1.002
   91   HD22  LEU  10          HD22      LEU  10   5.168  -5.765   0.280
   92   HD23  LEU  10          HD23      LEU  10   4.996  -5.287  -1.413
   93    H    ASP  11           H        ASP  11  10.133  -5.580  -4.227
   94    HA   ASP  11           HA       ASP  11  12.433  -6.446  -2.528
   95    HB2  ASP  11           HB2      ASP  11  12.182  -8.303  -3.945
   96    HB3  ASP  11           HB3      ASP  11  11.627  -7.327  -5.292
   97    H    TYR  12           H        TYR  12  14.602  -5.604  -3.817
   98    HA   TYR  12           HA       TYR  12  13.872  -2.889  -4.770
   99    HB2  TYR  12           HB2      TYR  12  15.620  -1.904  -3.579
  100    HB3  TYR  12           HB3      TYR  12  14.955  -3.068  -2.445
  101    HD1  TYR  12           HD1      TYR  12  16.202  -5.497  -2.654
  102    HD2  TYR  12           HD2      TYR  12  17.894  -1.716  -3.631
  103    HE1  TYR  12           HE1      TYR  12  18.454  -6.422  -2.331
  104    HE2  TYR  12           HE2      TYR  12  20.150  -2.637  -3.308
  105    HH   TYR  12           HH       TYR  12  21.178  -4.562  -1.970
  106    H    ASP  13           H        ASP  13  14.277  -2.573  -6.757
  107    HA   ASP  13           HA       ASP  13  16.494  -3.962  -8.058
  108    HB2  ASP  13           HB2      ASP  13  14.362  -3.626  -9.334
  109    HB3  ASP  13           HB3      ASP  13  14.610  -1.884  -9.221
  110    H    PHE  14           H        PHE  14  18.447  -3.079  -7.771
  111    HA   PHE  14           HA       PHE  14  18.423  -0.570  -6.380
  112    HB2  PHE  14           HB2      PHE  14  20.856  -1.037  -6.012
  113    HB3  PHE  14           HB3      PHE  14  19.776  -2.282  -5.397
  114    HD1  PHE  14           HD1      PHE  14  19.689  -4.478  -6.442
  115    HD2  PHE  14           HD2      PHE  14  22.332  -1.461  -7.867
  116    HE1  PHE  14           HE1      PHE  14  20.940  -6.176  -7.710
  117    HE2  PHE  14           HE2      PHE  14  23.584  -3.153  -9.138
  118    HZ   PHE  14           HZ       PHE  14  22.887  -5.535  -9.037
  119    H    GLN  15           H        GLN  15  19.198  -1.676  -9.626
  120    HA   GLN  15           HA       GLN  15  20.575   0.839 -10.011
  121    HB2  GLN  15           HB2      GLN  15  20.956   0.050 -12.276
  122    HB3  GLN  15           HB3      GLN  15  21.468  -1.130 -11.095
  123    HG2  GLN  15           HG2      GLN  15  20.444  -2.426 -12.704
  124    HG3  GLN  15           HG3      GLN  15  19.157  -2.209 -11.517
  125   HE21  GLN  15          HE21      GLN  15  17.335  -1.086 -12.074
  126   HE22  GLN  15          HE22      GLN  15  17.049  -0.418 -13.653
  127    H    ASN  16           H        ASN  16  17.164   0.104 -10.032
  128    HA   ASN  16           HA       ASN  16  17.115   2.757 -11.233
  129    HB2  ASN  16           HB2      ASN  16  14.695   2.532 -11.182
  130    HB3  ASN  16           HB3      ASN  16  15.419   1.248 -12.105
  131   HD21  ASN  16          HD21      ASN  16  13.805  -0.194 -11.927
  132   HD22  ASN  16          HD22      ASN  16  13.292  -0.894 -10.432
  133    H    ASN  17           H        ASN  17  17.634   1.196  -8.524
  134    HA   ASN  17           HA       ASN  17  17.640   1.486  -6.343
  135    HB2  ASN  17           HB2      ASN  17  18.803   3.705  -7.478
  136    HB3  ASN  17           HB3      ASN  17  17.679   4.385  -6.299
  137   HD21  ASN  17          HD21      ASN  17  17.749   2.087  -4.603
  138   HD22  ASN  17          HD22      ASN  17  19.282   2.079  -3.788
  139    H    GLN  18           H        GLN  18  15.204   0.858  -6.881
  140    HA   GLN  18           HA       GLN  18  13.647   2.458  -5.009
  141    HB2  GLN  18           HB2      GLN  18  12.733   3.482  -6.862
  142    HB3  GLN  18           HB3      GLN  18  13.018   2.093  -7.856
  143    HG2  GLN  18           HG2      GLN  18  11.046   1.613  -5.818
  144    HG3  GLN  18           HG3      GLN  18  10.605   2.873  -6.970
  145   HE21  GLN  18          HE21      GLN  18   9.511   0.218  -6.552
  146   HE22  GLN  18          HE22      GLN  18   9.649  -0.626  -8.052
  147    H    LEU  19           H        LEU  19  12.000   1.286  -4.010
  148    HA   LEU  19           HA       LEU  19  12.430  -1.592  -4.096
  149    HB2  LEU  19           HB2      LEU  19  10.406  -0.145  -2.410
  150    HB3  LEU  19           HB3      LEU  19  11.164  -1.696  -2.102
  151    HG   LEU  19           HG       LEU  19  12.634   0.936  -2.075
  152   HD11  LEU  19          HD11      LEU  19  12.613   0.702   0.364
  153   HD12  LEU  19          HD12      LEU  19  10.984   0.869  -0.291
  154   HD13  LEU  19          HD13      LEU  19  11.574  -0.714   0.213
  155   HD21  LEU  19          HD21      LEU  19  13.433  -1.811  -1.133
  156   HD22  LEU  19          HD22      LEU  19  14.024  -1.006  -2.586
  157   HD23  LEU  19          HD23      LEU  19  14.400  -0.342  -0.995
  158    H    LEU  20           H        LEU  20  11.098  -3.042  -4.922
  159    HA   LEU  20           HA       LEU  20   8.405  -2.424  -5.926
  160    HB2  LEU  20           HB2      LEU  20  10.332  -1.908  -7.452
  161    HB3  LEU  20           HB3      LEU  20  10.515  -3.611  -7.622
  162    HG   LEU  20           HG       LEU  20   7.996  -2.118  -8.363
  163   HD11  LEU  20          HD11      LEU  20  10.269  -3.002 -10.136
  164   HD12  LEU  20          HD12      LEU  20   8.746  -2.298 -10.676
  165   HD13  LEU  20          HD13      LEU  20   9.875  -1.334  -9.720
  166   HD21  LEU  20          HD21      LEU  20   7.499  -4.152  -9.643
  167   HD22  LEU  20          HD22      LEU  20   8.978  -4.895  -9.037
  168   HD23  LEU  20          HD23      LEU  20   7.667  -4.500  -7.921
  169    H    VAL  21           H        VAL  21   7.477  -4.167  -4.970
  170    HA   VAL  21           HA       VAL  21   7.398  -6.164  -6.936
  171    HB   VAL  21           HB       VAL  21   8.064  -7.503  -4.290
  172   HG11  VAL  21          HG11      VAL  21   7.121  -8.640  -6.927
  173   HG12  VAL  21          HG12      VAL  21   7.618  -9.584  -5.523
  174   HG13  VAL  21          HG13      VAL  21   6.184  -8.564  -5.435
  175   HG21  VAL  21          HG21      VAL  21   9.822  -8.646  -5.504
  176   HG22  VAL  21          HG22      VAL  21   9.392  -7.795  -6.987
  177   HG23  VAL  21          HG23      VAL  21  10.068  -6.904  -5.625
  178    H    GLY  22           H        GLY  22   5.254  -5.761  -7.269
  179    HA2  GLY  22           HA3      GLY  22   3.731  -5.523  -4.775
  180    HA3  GLY  22           HA2      GLY  22   3.254  -4.766  -6.291
  181    H    ILE  23           H        ILE  23   2.754  -7.194  -4.249
  182    HA   ILE  23           HA       ILE  23   1.710  -8.925  -6.339
  183    HB   ILE  23           HB       ILE  23   2.284 -10.094  -3.654
  184   HG12  ILE  23          HG12      ILE  23   4.337  -8.999  -4.678
  185   HG13  ILE  23          HG13      ILE  23   4.457 -10.744  -4.478
  186   HG21  ILE  23          HG21      ILE  23   0.845 -11.369  -5.143
  187   HG22  ILE  23          HG22      ILE  23   2.001 -11.181  -6.464
  188   HG23  ILE  23          HG23      ILE  23   2.430 -12.139  -5.045
  189   HD11  ILE  23          HD11      ILE  23   3.809  -9.309  -7.044
  190   HD12  ILE  23          HD12      ILE  23   5.362 -10.026  -6.619
  191   HD13  ILE  23          HD13      ILE  23   3.947 -11.055  -6.844
  192    H    ILE  24           H        ILE  24   0.206  -9.577  -2.970
  193    HA   ILE  24           HA       ILE  24  -1.694 -10.084  -5.158
  194    HB   ILE  24           HB       ILE  24  -1.349 -11.626  -2.594
  195   HG12  ILE  24          HG12      ILE  24  -1.058 -12.292  -5.527
  196   HG13  ILE  24          HG13      ILE  24   0.213 -12.255  -4.311
  197   HG21  ILE  24          HG21      ILE  24  -3.459 -12.017  -4.715
  198   HG22  ILE  24          HG22      ILE  24  -3.184 -13.049  -3.312
  199   HG23  ILE  24          HG23      ILE  24  -3.747 -11.393  -3.092
  200   HD11  ILE  24          HD11      ILE  24  -2.079 -14.206  -4.397
  201   HD12  ILE  24          HD12      ILE  24  -0.415 -14.533  -4.883
  202   HD13  ILE  24          HD13      ILE  24  -0.787 -14.175  -3.196
  203    H    GLN  25           H        GLN  25  -2.221  -9.435  -1.583
  204    HA   GLN  25           HA       GLN  25  -4.821  -8.448  -2.429
  205    HB2  GLN  25           HB2      GLN  25  -5.129 -10.787  -2.668
  206    HB3  GLN  25           HB3      GLN  25  -4.259 -11.132  -1.191
  207    HG2  GLN  25           HG2      GLN  25  -6.739  -9.577  -0.900
  208    HG3  GLN  25           HG3      GLN  25  -6.919 -11.249  -1.433
  209   HE21  GLN  25          HE21      GLN  25  -4.401 -10.023   0.574
  210   HE22  GLN  25          HE22      GLN  25  -4.831 -10.877   2.012
  211    H    ALA  26           H        ALA  26  -5.755  -7.230  -1.058
  212    HA   ALA  26           HA       ALA  26  -4.972  -7.224   1.762
  213    HB1  ALA  26           HB1      ALA  26  -6.688  -5.346   0.132
  214    HB2  ALA  26           HB2      ALA  26  -6.381  -5.185   1.861
  215    HB3  ALA  26           HB3      ALA  26  -5.053  -5.032   0.712
  216    H    ALA  27           H        ALA  27  -6.794  -7.372   3.285
  217    HA   ALA  27           HA       ALA  27  -8.947  -9.001   2.169
  218    HB1  ALA  27           HB1      ALA  27  -7.195 -10.424   3.092
  219    HB2  ALA  27           HB2      ALA  27  -7.416  -9.656   4.662
  220    HB3  ALA  27           HB3      ALA  27  -8.725 -10.601   3.950
  221    H    GLU  28           H        GLU  28 -10.992  -8.314   2.745
  222    HA   GLU  28           HA       GLU  28 -12.720  -7.874   4.154
  223    HB2  GLU  28           HB2      GLU  28 -10.710  -8.743   6.231
  224    HB3  GLU  28           HB3      GLU  28 -12.444  -8.594   6.507
  225    HG2  GLU  28           HG2      GLU  28 -11.249 -10.414   4.434
  226    HG3  GLU  28           HG3      GLU  28 -11.586 -10.916   6.089
  227    H    LEU  29           H        LEU  29 -11.359  -5.615   3.416
  228    HA   LEU  29           HA       LEU  29 -11.080  -3.974   5.794
  229    HB2  LEU  29           HB2      LEU  29 -11.137  -2.964   2.965
  230    HB3  LEU  29           HB3      LEU  29 -10.332  -2.282   4.377
  231    HG   LEU  29           HG       LEU  29  -9.522  -4.881   3.074
  232   HD11  LEU  29          HD11      LEU  29  -9.181  -2.882   1.632
  233   HD12  LEU  29          HD12      LEU  29  -8.166  -2.205   2.907
  234   HD13  LEU  29          HD13      LEU  29  -7.687  -3.706   2.096
  235   HD21  LEU  29          HD21      LEU  29  -8.964  -4.742   5.428
  236   HD22  LEU  29          HD22      LEU  29  -7.513  -4.609   4.436
  237   HD23  LEU  29          HD23      LEU  29  -8.212  -3.169   5.173
  238    HA   PRO  30           HA       PRO  30 -15.089  -2.566   6.485
  239    HB2  PRO  30           HB2      PRO  30 -14.375   0.274   6.074
  240    HB3  PRO  30           HB3      PRO  30 -15.003  -0.532   7.513
  241    HG2  PRO  30           HG2      PRO  30 -12.451   0.264   7.348
  242    HG3  PRO  30           HG3      PRO  30 -12.916  -1.218   8.205
  243    HD2  PRO  30           HD2      PRO  30 -11.657  -0.889   5.522
  244    HD3  PRO  30           HD3      PRO  30 -11.389  -2.142   6.749
  245    H    ALA  31           H        ALA  31 -17.005  -2.151   5.472
  246    HA   ALA  31           HA       ALA  31 -16.924  -1.552   2.635
  247    HB1  ALA  31           HB1      ALA  31 -19.300  -2.141   2.685
  248    HB2  ALA  31           HB2      ALA  31 -18.316  -3.384   3.455
  249    HB3  ALA  31           HB3      ALA  31 -19.237  -2.253   4.443
  250    H    LEU  32           H        LEU  32 -17.087   0.498   1.899
  251    HA   LEU  32           HA       LEU  32 -18.731   2.393   3.471
  252    HB2  LEU  32           HB2      LEU  32 -16.482   3.250   1.722
  253    HB3  LEU  32           HB3      LEU  32 -17.230   4.115   3.053
  254    HG   LEU  32           HG       LEU  32 -15.334   1.785   3.264
  255   HD11  LEU  32          HD11      LEU  32 -14.274   3.907   2.746
  256   HD12  LEU  32          HD12      LEU  32 -15.105   4.671   4.099
  257   HD13  LEU  32          HD13      LEU  32 -13.904   3.414   4.400
  258   HD21  LEU  32          HD21      LEU  32 -16.753   3.274   5.468
  259   HD22  LEU  32          HD22      LEU  32 -17.084   1.614   4.953
  260   HD23  LEU  32          HD23      LEU  32 -15.526   2.025   5.676
  261    H    ASP  33           H        ASP  33 -19.643   0.760   1.374
  262    HA   ASP  33           HA       ASP  33 -20.137   2.694  -0.747
  263    HB2  ASP  33           HB2      ASP  33 -18.248   1.621  -1.647
  264    HB3  ASP  33           HB3      ASP  33 -18.727   0.049  -1.021
  265    H    MET  34           H        MET  34 -21.767   1.977  -2.226
  266    HA   MET  34           HA       MET  34 -23.998   0.979  -0.690
  267    HB2  MET  34           HB2      MET  34 -24.170   2.987  -2.158
  268    HB3  MET  34           HB3      MET  34 -23.933   1.947  -3.555
  269    HG2  MET  34           HG2      MET  34 -26.266   2.438  -3.303
  270    HG3  MET  34           HG3      MET  34 -25.986   0.731  -2.973
  271    HE1  MET  34           HE1      MET  34 -26.778   3.907   0.279
  272    HE2  MET  34           HE2      MET  34 -25.223   3.769  -0.546
  273    HE3  MET  34           HE3      MET  34 -26.663   4.251  -1.445
  274    H    GLY  35           H        GLY  35 -22.781  -1.109  -0.629
  275    HA2  GLY  35           HA3      GLY  35 -24.337  -3.022  -2.000
  276    HA3  GLY  35           HA2      GLY  35 -22.727  -2.956  -2.712
  277    H    GLY  36           H        GLY  36 -23.046  -2.126   0.587
  278    HA2  GLY  36           HA3      GLY  36 -21.973  -2.945   2.444
  279    HA3  GLY  36           HA2      GLY  36 -22.602  -4.508   1.934
  280    H    THR  37           H        THR  37 -20.350  -2.424   0.261
  281    HA   THR  37           HA       THR  37 -18.160  -4.257   0.751
  282    HB   THR  37           HB       THR  37 -17.569  -4.063  -1.739
  283    HG1  THR  37           HG1      THR  37 -19.243  -2.523  -2.192
  284   HG21  THR  37          HG21      THR  37 -18.199  -6.178  -0.749
  285   HG22  THR  37          HG22      THR  37 -18.961  -6.020  -2.331
  286   HG23  THR  37          HG23      THR  37 -19.908  -5.759  -0.867
  287    H    SER  38           H        SER  38 -16.174  -3.213  -0.417
  288    HA   SER  38           HA       SER  38 -16.340  -0.295  -0.205
  289    HB2  SER  38           HB2      SER  38 -13.951  -0.388   0.501
  290    HB3  SER  38           HB3      SER  38 -15.003  -1.239   1.631
  291    HG   SER  38           HG       SER  38 -13.597  -2.509  -0.480
  292    H    ASP  39           H        ASP  39 -14.654   0.748  -1.561
  293    HA   ASP  39           HA       ASP  39 -14.061  -0.768  -3.977
  294    HB2  ASP  39           HB2      ASP  39 -15.065   2.057  -3.650
  295    HB3  ASP  39           HB3      ASP  39 -14.107   1.608  -5.055
  296    HA   PRO  40           HA       PRO  40 -10.083   0.215  -1.658
  297    HB2  PRO  40           HB2      PRO  40  -9.495  -1.746  -3.821
  298    HB3  PRO  40           HB3      PRO  40  -8.925  -1.706  -2.152
  299    HG2  PRO  40           HG2      PRO  40 -11.024  -3.273  -3.143
  300    HG3  PRO  40           HG3      PRO  40 -10.682  -2.968  -1.434
  301    HD2  PRO  40           HD2      PRO  40 -12.922  -2.106  -2.917
  302    HD3  PRO  40           HD3      PRO  40 -12.483  -1.643  -1.262
  303    H    TYR  41           H        TYR  41  -8.332   1.312  -2.475
  304    HA   TYR  41           HA       TYR  41  -8.336   2.383  -5.137
  305    HB2  TYR  41           HB2      TYR  41  -9.947   3.766  -3.613
  306    HB3  TYR  41           HB3      TYR  41  -8.416   4.234  -2.841
  307    HD1  TYR  41           HD1      TYR  41 -10.154   4.194  -6.081
  308    HD2  TYR  41           HD2      TYR  41  -7.069   5.886  -3.716
  309    HE1  TYR  41           HE1      TYR  41  -9.830   5.906  -7.758
  310    HE2  TYR  41           HE2      TYR  41  -6.724   7.614  -5.396
  311    HH   TYR  41           HH       TYR  41  -7.102   8.012  -7.761
  312    H    VAL  42           H        VAL  42  -6.403   3.577  -5.475
  313    HA   VAL  42           HA       VAL  42  -4.403   2.086  -4.016
  314    HB   VAL  42           HB       VAL  42  -3.187   2.356  -6.122
  315   HG11  VAL  42          HG11      VAL  42  -6.123   2.407  -6.794
  316   HG12  VAL  42          HG12      VAL  42  -4.832   1.873  -7.869
  317   HG13  VAL  42          HG13      VAL  42  -5.171   0.981  -6.387
  318   HG21  VAL  42          HG21      VAL  42  -3.779   3.964  -7.875
  319   HG22  VAL  42          HG22      VAL  42  -5.023   4.650  -6.830
  320   HG23  VAL  42          HG23      VAL  42  -3.321   4.792  -6.386
  321    H    LYS  43           H        LYS  43  -4.118   3.385  -2.014
  322    HA   LYS  43           HA       LYS  43  -2.648   5.874  -2.603
  323    HB2  LYS  43           HB2      LYS  43  -3.737   5.009   0.080
  324    HB3  LYS  43           HB3      LYS  43  -3.022   6.565  -0.322
  325    HG2  LYS  43           HG2      LYS  43  -5.556   5.510  -1.563
  326    HG3  LYS  43           HG3      LYS  43  -5.506   6.572  -0.157
  327    HD2  LYS  43           HD2      LYS  43  -3.951   7.494  -2.472
  328    HD3  LYS  43           HD3      LYS  43  -5.698   7.429  -2.721
  329    HE2  LYS  43           HE2      LYS  43  -6.010   8.771  -0.677
  330    HE3  LYS  43           HE3      LYS  43  -4.260   8.867  -0.490
  331    HZ1  LYS  43           HZ1      LYS  43  -5.300  10.842  -1.545
  332    HZ2  LYS  43           HZ2      LYS  43  -5.718   9.874  -2.872
  333    HZ3  LYS  43           HZ3      LYS  43  -4.088  10.125  -2.486
  334    H    VAL  44           H        VAL  44  -0.464   5.780  -2.425
  335    HA   VAL  44           HA       VAL  44   0.596   4.173  -0.208
  336    HB   VAL  44           HB       VAL  44   1.982   4.237  -2.903
  337   HG11  VAL  44          HG11      VAL  44   3.493   4.073  -1.010
  338   HG12  VAL  44          HG12      VAL  44   2.583   2.697  -0.382
  339   HG13  VAL  44          HG13      VAL  44   3.457   2.555  -1.909
  340   HG21  VAL  44          HG21      VAL  44   0.009   2.843  -3.105
  341   HG22  VAL  44          HG22      VAL  44   1.457   1.838  -3.075
  342   HG23  VAL  44          HG23      VAL  44   0.446   1.971  -1.635
  343    H    PHE  45           H        PHE  45   2.144   5.372   0.978
  344    HA   PHE  45           HA       PHE  45   2.941   7.864  -0.289
  345    HB2  PHE  45           HB2      PHE  45   1.787   7.698   2.494
  346    HB3  PHE  45           HB3      PHE  45   2.326   9.150   1.666
  347    HD1  PHE  45           HD1      PHE  45   1.069   9.738  -0.516
  348    HD2  PHE  45           HD2      PHE  45  -0.437   7.121   2.479
  349    HE1  PHE  45           HE1      PHE  45  -1.206  10.084  -1.366
  350    HE2  PHE  45           HE2      PHE  45  -2.721   7.471   1.635
  351    HZ   PHE  45           HZ       PHE  45  -3.134   9.018  -0.179
  352    H    LEU  46           H        LEU  46   4.236   9.027   1.112
  353    HA   LEU  46           HA       LEU  46   6.156   7.532   2.694
  354    HB2  LEU  46           HB2      LEU  46   6.492   8.947   0.212
  355    HB3  LEU  46           HB3      LEU  46   7.619   9.547   1.398
  356    HG   LEU  46           HG       LEU  46   7.324   6.766   0.318
  357   HD11  LEU  46          HD11      LEU  46   9.620   7.065  -0.375
  358   HD12  LEU  46          HD12      LEU  46   8.598   8.344  -1.030
  359   HD13  LEU  46          HD13      LEU  46   9.644   8.675   0.353
  360   HD21  LEU  46          HD21      LEU  46   9.007   7.682   2.634
  361   HD22  LEU  46          HD22      LEU  46   7.655   6.549   2.692
  362   HD23  LEU  46          HD23      LEU  46   9.137   6.114   1.836
  363    H    LEU  47           H        LEU  47   7.437   9.089   4.052
  364    HA   LEU  47           HA       LEU  47   5.723  11.014   5.278
  365    HB2  LEU  47           HB2      LEU  47   7.829  11.695   6.514
  366    HB3  LEU  47           HB3      LEU  47   7.325  10.035   6.713
  367    HG   LEU  47           HG       LEU  47   9.090   9.323   5.137
  368   HD11  LEU  47          HD11      LEU  47  10.826  10.854   4.440
  369   HD12  LEU  47          HD12      LEU  47   9.263  11.400   3.830
  370   HD13  LEU  47          HD13      LEU  47   9.992  12.195   5.223
  371   HD21  LEU  47          HD21      LEU  47   9.495   9.340   7.534
  372   HD22  LEU  47          HD22      LEU  47  10.966   9.742   6.646
  373   HD23  LEU  47          HD23      LEU  47  10.038  11.016   7.440
  374    HA   PRO  48           HA       PRO  48   6.400  15.163   3.638
  375    HB2  PRO  48           HB2      PRO  48   9.130  15.180   4.873
  376    HB3  PRO  48           HB3      PRO  48   7.952  16.490   4.742
  377    HG2  PRO  48           HG2      PRO  48   8.236  14.931   6.970
  378    HG3  PRO  48           HG3      PRO  48   6.732  15.749   6.522
  379    HD2  PRO  48           HD2      PRO  48   7.255  12.923   6.629
  380    HD3  PRO  48           HD3      PRO  48   5.743  13.743   6.194
  381    H    ASP  49           H        ASP  49   9.324  13.074   3.254
  382    HA   ASP  49           HA       ASP  49  10.228  14.293   0.915
  383    HB2  ASP  49           HB2      ASP  49  11.613  12.778   2.141
  384    HB3  ASP  49           HB3      ASP  49  10.470  11.457   1.926
  385    H    LYS  50           H        LYS  50   8.612  11.006   0.746
  386    HA   LYS  50           HA       LYS  50   6.808  10.330  -0.336
  387    HB2  LYS  50           HB2      LYS  50   6.070  12.777   0.453
  388    HB3  LYS  50           HB3      LYS  50   6.027  13.030  -1.291
  389    HG2  LYS  50           HG2      LYS  50   4.411  11.108   0.369
  390    HG3  LYS  50           HG3      LYS  50   3.855  12.347  -0.772
  391    HD2  LYS  50           HD2      LYS  50   4.875  11.059  -2.602
  392    HD3  LYS  50           HD3      LYS  50   5.353   9.823  -1.423
  393    HE2  LYS  50           HE2      LYS  50   3.326   9.089  -2.501
  394    HE3  LYS  50           HE3      LYS  50   2.905   9.586  -0.862
  395    HZ1  LYS  50           HZ1      LYS  50   1.284  10.475  -2.356
  396    HZ2  LYS  50           HZ2      LYS  50   2.472  11.127  -3.368
  397    HZ3  LYS  50           HZ3      LYS  50   2.231  11.773  -1.818
  398    H    LYS  51           H        LYS  51   8.992   9.940  -1.454
  399    HA   LYS  51           HA       LYS  51   9.061  10.896  -4.205
  400    HB2  LYS  51           HB2      LYS  51  10.644   8.922  -2.588
  401    HB3  LYS  51           HB3      LYS  51  10.930   9.147  -4.314
  402    HG2  LYS  51           HG2      LYS  51  11.221  11.207  -2.141
  403    HG3  LYS  51           HG3      LYS  51  12.527  10.391  -2.994
  404    HD2  LYS  51           HD2      LYS  51  11.861  11.455  -5.075
  405    HD3  LYS  51           HD3      LYS  51  10.492  12.225  -4.260
  406    HE2  LYS  51           HE2      LYS  51  12.047  13.413  -2.784
  407    HE3  LYS  51           HE3      LYS  51  13.408  12.648  -3.601
  408    HZ1  LYS  51           HZ1      LYS  51  11.442  14.446  -4.906
  409    HZ2  LYS  51           HZ2      LYS  51  12.828  13.783  -5.621
  410    HZ3  LYS  51           HZ3      LYS  51  12.978  14.916  -4.368
  411    H    LYS  52           H        LYS  52   6.584   9.842  -3.994
  412    HA   LYS  52           HA       LYS  52   6.817   7.108  -4.964
  413    HB2  LYS  52           HB2      LYS  52   6.534   7.367  -2.386
  414    HB3  LYS  52           HB3      LYS  52   4.841   7.611  -2.803
  415    HG2  LYS  52           HG2      LYS  52   4.581   5.475  -3.587
  416    HG3  LYS  52           HG3      LYS  52   6.298   5.287  -3.954
  417    HD2  LYS  52           HD2      LYS  52   4.979   5.262  -1.249
  418    HD3  LYS  52           HD3      LYS  52   5.789   3.923  -2.067
  419    HE2  LYS  52           HE2      LYS  52   7.918   5.324  -1.992
  420    HE3  LYS  52           HE3      LYS  52   7.021   6.424  -0.942
  421    HZ1  LYS  52           HZ1      LYS  52   8.352   4.814   0.301
  422    HZ2  LYS  52           HZ2      LYS  52   7.448   3.548  -0.366
  423    HZ3  LYS  52           HZ3      LYS  52   6.701   4.680   0.645
  424    H    LYS  53           H        LYS  53   5.929   7.680  -7.029
  425    HA   LYS  53           HA       LYS  53   3.187   8.484  -7.125
  426    HB2  LYS  53           HB2      LYS  53   4.462   8.799  -9.148
  427    HB3  LYS  53           HB3      LYS  53   4.945   7.101  -9.166
  428    HG2  LYS  53           HG2      LYS  53   2.644   6.445  -9.441
  429    HG3  LYS  53           HG3      LYS  53   2.132   8.128  -9.463
  430    HD2  LYS  53           HD2      LYS  53   2.221   7.563 -11.724
  431    HD3  LYS  53           HD3      LYS  53   3.778   8.345 -11.452
  432    HE2  LYS  53           HE2      LYS  53   4.869   6.200 -11.271
  433    HE3  LYS  53           HE3      LYS  53   3.319   5.367 -11.385
  434    HZ1  LYS  53           HZ1      LYS  53   4.485   5.345 -13.498
  435    HZ2  LYS  53           HZ2      LYS  53   4.545   7.039 -13.511
  436    HZ3  LYS  53           HZ3      LYS  53   3.051   6.240 -13.620
  437    H    PHE  54           H        PHE  54   1.605   7.242  -6.387
  438    HA   PHE  54           HA       PHE  54   2.383   4.541  -5.588
  439    HB2  PHE  54           HB2      PHE  54   0.723   4.925  -3.792
  440    HB3  PHE  54           HB3      PHE  54   2.102   6.019  -3.776
  441    HD1  PHE  54           HD1      PHE  54   1.857   8.363  -4.337
  442    HD2  PHE  54           HD2      PHE  54  -1.504   5.759  -4.321
  443    HE1  PHE  54           HE1      PHE  54   0.357  10.306  -4.375
  444    HE2  PHE  54           HE2      PHE  54  -3.013   7.700  -4.356
  445    HZ   PHE  54           HZ       PHE  54  -2.081   9.977  -4.387
  446    H    GLU  55           H        GLU  55   0.950   2.820  -5.572
  447    HA   GLU  55           HA       GLU  55  -1.836   3.194  -6.232
  448    HB2  GLU  55           HB2      GLU  55   0.059   1.702  -8.015
  449    HB3  GLU  55           HB3      GLU  55  -1.615   1.187  -7.883
  450    HG2  GLU  55           HG2      GLU  55  -2.374   3.338  -8.674
  451    HG3  GLU  55           HG3      GLU  55  -0.712   3.933  -8.724
  452    H    THR  56           H        THR  56  -2.658   2.185  -4.341
  453    HA   THR  56           HA       THR  56  -1.759  -0.542  -3.839
  454    HB   THR  56           HB       THR  56  -3.840  -0.613  -2.314
  455    HG1  THR  56           HG1      THR  56  -3.511   2.193  -2.374
  456   HG21  THR  56          HG21      THR  56  -1.496   1.166  -1.683
  457   HG22  THR  56          HG22      THR  56  -1.587  -0.582  -1.457
  458   HG23  THR  56          HG23      THR  56  -2.607   0.489  -0.492
  459    H    LYS  57           H        LYS  57  -3.933  -2.068  -3.610
  460    HA   LYS  57           HA       LYS  57  -4.959  -2.391  -6.208
  461    HB2  LYS  57           HB2      LYS  57  -6.437  -4.052  -5.154
  462    HB3  LYS  57           HB3      LYS  57  -4.778  -4.214  -4.600
  463    HG2  LYS  57           HG2      LYS  57  -5.930  -2.512  -2.749
  464    HG3  LYS  57           HG3      LYS  57  -7.197  -3.687  -3.102
  465    HD2  LYS  57           HD2      LYS  57  -6.058  -4.724  -1.383
  466    HD3  LYS  57           HD3      LYS  57  -5.284  -5.432  -2.801
  467    HE2  LYS  57           HE2      LYS  57  -3.937  -3.012  -2.138
  468    HE3  LYS  57           HE3      LYS  57  -4.095  -3.982  -0.674
  469    HZ1  LYS  57           HZ1      LYS  57  -2.979  -4.956  -3.252
  470    HZ2  LYS  57           HZ2      LYS  57  -3.030  -5.815  -1.786
  471    HZ3  LYS  57           HZ3      LYS  57  -2.056  -4.439  -1.933
  472    H    VAL  58           H        VAL  58  -6.416  -0.941  -7.220
  473    HA   VAL  58           HA       VAL  58  -8.663   0.053  -5.654
  474    HB   VAL  58           HB       VAL  58  -7.974   1.604  -7.301
  475   HG11  VAL  58          HG11      VAL  58  -8.168  -0.594  -9.351
  476   HG12  VAL  58          HG12      VAL  58  -7.782   1.094  -9.687
  477   HG13  VAL  58          HG13      VAL  58  -6.679   0.111  -8.721
  478   HG21  VAL  58          HG21      VAL  58  -9.925   1.837  -8.771
  479   HG22  VAL  58          HG22      VAL  58 -10.416   0.195  -8.354
  480   HG23  VAL  58          HG23      VAL  58 -10.383   1.449  -7.112
  481    H    HIS  59           H        HIS  59 -10.267  -1.277  -5.184
  482    HA   HIS  59           HA       HIS  59 -11.143  -3.170  -7.239
  483    HB2  HIS  59           HB2      HIS  59 -10.847  -3.680  -4.309
  484    HB3  HIS  59           HB3      HIS  59 -11.821  -4.705  -5.382
  485    HD1  HIS  59           HD1      HIS  59 -10.610  -6.499  -6.657
  486    HD2  HIS  59           HD2      HIS  59  -8.057  -3.518  -5.290
  487    HE1  HIS  59           HE1      HIS  59  -8.283  -7.279  -7.234
  488    HE2  HIS  59           HE2      HIS  59  -6.738  -5.514  -6.265
  489    H    ARG  60           H        ARG  60 -12.907  -2.040  -7.975
  490    HA   ARG  60           HA       ARG  60 -14.767  -0.911  -6.170
  491    HB2  ARG  60           HB2      ARG  60 -16.353  -1.124  -8.255
  492    HB3  ARG  60           HB3      ARG  60 -15.043   0.041  -8.229
  493    HG2  ARG  60           HG2      ARG  60 -14.898  -0.886 -10.337
  494    HG3  ARG  60           HG3      ARG  60 -13.683  -1.769  -9.420
  495    HD2  ARG  60           HD2      ARG  60 -15.247  -3.623  -9.132
  496    HD3  ARG  60           HD3      ARG  60 -16.466  -2.732 -10.045
  497    HE   ARG  60           HE       ARG  60 -14.105  -2.967 -11.579
  498   HH11  ARG  60          HH12      ARG  60 -16.749  -4.923 -10.378
  499   HH12  ARG  60          HH11      ARG  60 -16.714  -6.022 -11.725
  500   HH21  ARG  60          HH22      ARG  60 -14.040  -4.398 -13.335
  501   HH22  ARG  60          HH21      ARG  60 -15.146  -5.740 -13.410
  502    H    LYS  61           H        LYS  61 -16.118  -1.796  -4.907
  503    HA   LYS  61           HA       LYS  61 -17.740  -3.056  -3.989
  504    HB2  LYS  61           HB2      LYS  61 -17.925  -4.583  -6.582
  505    HB3  LYS  61           HB3      LYS  61 -19.156  -4.413  -5.331
  506    HG2  LYS  61           HG2      LYS  61 -18.096  -2.055  -6.855
  507    HG3  LYS  61           HG3      LYS  61 -19.439  -3.032  -7.447
  508    HD2  LYS  61           HD2      LYS  61 -20.802  -2.446  -5.621
  509    HD3  LYS  61           HD3      LYS  61 -19.434  -1.816  -4.700
  510    HE2  LYS  61           HE2      LYS  61 -20.222  -0.603  -7.325
  511    HE3  LYS  61           HE3      LYS  61 -21.046  -0.148  -5.835
  512    HZ1  LYS  61           HZ1      LYS  61 -19.032   0.641  -4.910
  513    HZ2  LYS  61           HZ2      LYS  61 -19.133   1.301  -6.466
  514    HZ3  LYS  61           HZ3      LYS  61 -18.099  -0.001  -6.166
  515    H    THR  62           H        THR  62 -15.317  -3.796  -3.150
  516    HA   THR  62           HA       THR  62 -15.653  -6.514  -2.474
  517    HB   THR  62           HB       THR  62 -14.370  -7.530  -4.003
  518    HG1  THR  62           HG1      THR  62 -12.200  -5.851  -3.292
  519   HG21  THR  62          HG21      THR  62 -13.227  -6.422  -5.817
  520   HG22  THR  62          HG22      THR  62 -13.344  -4.873  -4.983
  521   HG23  THR  62          HG23      THR  62 -14.804  -5.670  -5.569
  522    H    LEU  63           H        LEU  63 -15.001  -6.604  -0.422
  523    HA   LEU  63           HA       LEU  63 -13.370  -4.536   0.744
  524    HB2  LEU  63           HB2      LEU  63 -14.337  -7.036   2.044
  525    HB3  LEU  63           HB3      LEU  63 -13.991  -5.489   2.748
  526    HG   LEU  63           HG       LEU  63 -16.261  -5.730   0.847
  527   HD11  LEU  63          HD11      LEU  63 -16.341  -6.236   3.823
  528   HD12  LEU  63          HD12      LEU  63 -17.741  -6.090   2.760
  529   HD13  LEU  63          HD13      LEU  63 -16.624  -7.441   2.564
  530   HD21  LEU  63          HD21      LEU  63 -15.597  -3.921   3.156
  531   HD22  LEU  63          HD22      LEU  63 -15.453  -3.524   1.444
  532   HD23  LEU  63          HD23      LEU  63 -17.044  -3.815   2.151
  533    H    ASN  64           H        ASN  64 -12.943  -7.653  -0.525
  534    HA   ASN  64           HA       ASN  64 -10.404  -7.980   0.922
  535    HB2  ASN  64           HB2      ASN  64 -12.387  -9.568   1.507
  536    HB3  ASN  64           HB3      ASN  64 -12.056 -10.298  -0.057
  537   HD21  ASN  64          HD21      ASN  64  -9.184 -10.090   0.012
  538   HD22  ASN  64          HD22      ASN  64  -8.644 -11.178   1.235
  539    HA   PRO  65           HA       PRO  65  -9.975  -7.857  -3.605
  540    HB2  PRO  65           HB2      PRO  65  -8.134  -5.860  -3.671
  541    HB3  PRO  65           HB3      PRO  65  -9.873  -5.579  -3.645
  542    HG2  PRO  65           HG2      PRO  65  -7.888  -5.121  -1.545
  543    HG3  PRO  65           HG3      PRO  65  -9.505  -4.488  -1.732
  544    HD2  PRO  65           HD2      PRO  65  -8.647  -6.595  -0.036
  545    HD3  PRO  65           HD3      PRO  65 -10.288  -5.949  -0.238
  546    H    VAL  66           H        VAL  66  -8.540  -8.974  -4.762
  547    HA   VAL  66           HA       VAL  66  -5.756  -8.919  -3.840
  548    HB   VAL  66           HB       VAL  66  -5.694 -11.144  -3.691
  549   HG11  VAL  66          HG11      VAL  66  -7.600 -12.609  -4.222
  550   HG12  VAL  66          HG12      VAL  66  -8.099 -11.192  -3.297
  551   HG13  VAL  66          HG13      VAL  66  -8.406 -11.265  -5.033
  552   HG21  VAL  66          HG21      VAL  66  -6.359 -11.170  -6.639
  553   HG22  VAL  66          HG22      VAL  66  -4.753 -11.052  -5.922
  554   HG23  VAL  66          HG23      VAL  66  -5.700 -12.527  -5.725
  555    H    PHE  67           H        PHE  67  -4.904  -7.517  -5.025
  556    HA   PHE  67           HA       PHE  67  -5.811  -7.192  -7.745
  557    HB2  PHE  67           HB2      PHE  67  -5.225  -5.278  -6.122
  558    HB3  PHE  67           HB3      PHE  67  -3.563  -5.592  -6.610
  559    HD1  PHE  67           HD1      PHE  67  -3.267  -5.796  -9.257
  560    HD2  PHE  67           HD2      PHE  67  -6.368  -3.647  -7.292
  561    HE1  PHE  67           HE1      PHE  67  -3.573  -4.411 -11.265
  562    HE2  PHE  67           HE2      PHE  67  -6.680  -2.257  -9.296
  563    HZ   PHE  67           HZ       PHE  67  -5.325  -2.625 -11.270
  564    H    ASN  68           H        ASN  68  -2.869  -8.391  -6.124
  565    HA   ASN  68           HA       ASN  68  -0.755  -8.687  -6.868
  566    HB2  ASN  68           HB2      ASN  68  -2.129  -9.315  -9.507
  567    HB3  ASN  68           HB3      ASN  68  -0.421  -9.589  -9.182
  568   HD21  ASN  68          HD21      ASN  68  -3.667 -10.657  -8.582
  569   HD22  ASN  68          HD22      ASN  68  -3.258 -12.160  -7.837
  570    H    GLU  69           H        GLU  69  -0.858  -6.390  -6.422
  571    HA   GLU  69           HA       GLU  69  -0.489  -4.653  -8.771
  572    HB2  GLU  69           HB2      GLU  69  -1.932  -3.099  -7.911
  573    HB3  GLU  69           HB3      GLU  69  -2.512  -4.459  -6.955
  574    HG2  GLU  69           HG2      GLU  69  -0.288  -3.085  -5.724
  575    HG3  GLU  69           HG3      GLU  69  -1.656  -2.025  -6.052
  576    H    GLN  70           H        GLN  70   1.515  -3.866  -8.887
  577    HA   GLN  70           HA       GLN  70   3.218  -4.193  -6.708
  578    HB2  GLN  70           HB2      GLN  70   4.979  -3.744  -8.060
  579    HB3  GLN  70           HB3      GLN  70   3.826  -4.539  -9.110
  580    HG2  GLN  70           HG2      GLN  70   4.110  -2.884 -10.531
  581    HG3  GLN  70           HG3      GLN  70   3.396  -1.780  -9.337
  582   HE21  GLN  70          HE21      GLN  70   5.452  -2.537  -7.382
  583   HE22  GLN  70          HE22      GLN  70   6.879  -1.654  -7.861
  584    H    PHE  71           H        PHE  71   3.640  -3.029  -5.150
  585    HA   PHE  71           HA       PHE  71   3.206  -0.188  -5.179
  586    HB2  PHE  71           HB2      PHE  71   4.607  -1.277  -2.868
  587    HB3  PHE  71           HB3      PHE  71   3.079  -0.407  -2.939
  588    HD1  PHE  71           HD1      PHE  71   0.971  -1.612  -3.127
  589    HD2  PHE  71           HD2      PHE  71   4.680  -3.678  -2.877
  590    HE1  PHE  71           HE1      PHE  71  -0.224  -3.698  -2.603
  591    HE2  PHE  71           HE2      PHE  71   3.491  -5.763  -2.354
  592    HZ   PHE  71           HZ       PHE  71   1.035  -5.774  -2.216
  593    H    THR  72           H        THR  72   4.599   0.736  -6.356
  594    HA   THR  72           HA       THR  72   7.469   0.388  -6.230
  595    HB   THR  72           HB       THR  72   5.781   2.517  -7.555
  596    HG1  THR  72           HG1      THR  72   6.102  -0.134  -8.051
  597   HG21  THR  72          HG21      THR  72   8.580   1.560  -8.148
  598   HG22  THR  72          HG22      THR  72   8.147   3.110  -7.427
  599   HG23  THR  72          HG23      THR  72   7.676   2.745  -9.086
  600    H    PHE  73           H        PHE  73   8.810   1.477  -4.907
  601    HA   PHE  73           HA       PHE  73   7.847   3.964  -3.659
  602    HB2  PHE  73           HB2      PHE  73   9.874   2.135  -2.373
  603    HB3  PHE  73           HB3      PHE  73   8.872   3.371  -1.619
  604    HD1  PHE  73           HD2      PHE  73   6.279   2.908  -1.754
  605    HD2  PHE  73           HD1      PHE  73   9.290  -0.063  -2.113
  606    HE1  PHE  73           HE2      PHE  73   4.645   1.186  -1.127
  607    HE2  PHE  73           HE1      PHE  73   7.665  -1.791  -1.489
  608    HZ   PHE  73           HZ       PHE  73   5.338  -1.171  -0.992
  609    H    LYS  74           H        LYS  74   8.967   5.500  -4.908
  610    HA   LYS  74           HA       LYS  74  11.452   4.755  -6.130
  611    HB2  LYS  74           HB2      LYS  74  10.145   7.477  -6.166
  612    HB3  LYS  74           HB3      LYS  74  11.370   6.877  -7.271
  613    HG2  LYS  74           HG2      LYS  74   8.527   5.924  -7.047
  614    HG3  LYS  74           HG3      LYS  74   9.222   6.901  -8.343
  615    HD2  LYS  74           HD2      LYS  74   9.999   4.072  -7.641
  616    HD3  LYS  74           HD3      LYS  74   9.046   4.575  -9.037
  617    HE2  LYS  74           HE2      LYS  74  11.910   5.344  -8.480
  618    HE3  LYS  74           HE3      LYS  74  11.378   4.123  -9.636
  619    HZ1  LYS  74           HZ1      LYS  74  10.607   6.988  -9.783
  620    HZ2  LYS  74           HZ2      LYS  74  10.294   5.786 -10.937
  621    HZ3  LYS  74           HZ3      LYS  74  11.886   6.299 -10.658
  622    H    VAL  75           H        VAL  75  12.214   4.489  -3.772
  623    HA   VAL  75           HA       VAL  75  13.939   6.822  -3.298
  624    HB   VAL  75           HB       VAL  75  12.726   5.168  -1.063
  625   HG11  VAL  75          HG11      VAL  75  14.964   5.952  -0.569
  626   HG12  VAL  75          HG12      VAL  75  14.508   7.596  -1.016
  627   HG13  VAL  75          HG13      VAL  75  13.777   6.832   0.396
  628   HG21  VAL  75          HG21      VAL  75  11.079   6.671  -2.101
  629   HG22  VAL  75          HG22      VAL  75  11.476   7.138  -0.448
  630   HG23  VAL  75          HG23      VAL  75  12.162   8.030  -1.805
  631    HA   PRO  76           HA       PRO  76  17.014   3.552  -3.694
  632    HB2  PRO  76           HB2      PRO  76  18.429   5.941  -2.522
  633    HB3  PRO  76           HB3      PRO  76  19.014   4.776  -3.727
  634    HG2  PRO  76           HG2      PRO  76  18.145   7.008  -4.676
  635    HG3  PRO  76           HG3      PRO  76  17.422   5.498  -5.336
  636    HD2  PRO  76           HD2      PRO  76  16.311   7.318  -3.185
  637    HD3  PRO  76           HD3      PRO  76  15.512   6.736  -4.670
  638    H    TYR  77           H        TYR  77  18.121   2.318  -2.254
  639    HA   TYR  77           HA       TYR  77  16.740   2.006   0.184
  640    HB2  TYR  77           HB2      TYR  77  17.442   0.079  -0.995
  641    HB3  TYR  77           HB3      TYR  77  19.128   0.617  -1.015
  642    HD1  TYR  77           HD2      TYR  77  16.432  -0.587   1.248
  643    HD2  TYR  77           HD1      TYR  77  20.606   0.025   0.714
  644    HE1  TYR  77           HE2      TYR  77  16.877  -1.867   3.301
  645    HE2  TYR  77           HE1      TYR  77  21.064  -1.250   2.764
  646    HH   TYR  77           HH       TYR  77  18.798  -3.212   4.265
  647    H    SER  78           H        SER  78  19.931   3.260  -0.621
  648    HA   SER  78           HA       SER  78  20.891   3.738   1.961
  649    HB2  SER  78           HB2      SER  78  22.041   5.726   0.675
  650    HB3  SER  78           HB3      SER  78  22.465   4.056   0.290
  651    HG   SER  78           HG       SER  78  20.841   5.876  -1.146
  652    H    GLU  79           H        GLU  79  18.637   5.551  -0.030
  653    HA   GLU  79           HA       GLU  79  18.509   7.794   1.795
  654    HB2  GLU  79           HB2      GLU  79  17.323   7.163  -0.886
  655    HB3  GLU  79           HB3      GLU  79  16.622   8.439   0.093
  656    HG2  GLU  79           HG2      GLU  79  18.206   9.293  -1.558
  657    HG3  GLU  79           HG3      GLU  79  18.713   9.644   0.091
  658    H    LEU  80           H        LEU  80  17.030   4.820   1.269
  659    HA   LEU  80           HA       LEU  80  14.383   5.261   2.044
  660    HB2  LEU  80           HB2      LEU  80  14.485   3.182   1.184
  661    HB3  LEU  80           HB3      LEU  80  16.173   2.997   1.610
  662    HG   LEU  80           HG       LEU  80  14.107   2.686   3.757
  663   HD11  LEU  80          HD11      LEU  80  13.951   0.291   3.188
  664   HD12  LEU  80          HD12      LEU  80  13.245   1.325   1.946
  665   HD13  LEU  80          HD13      LEU  80  14.837   0.607   1.696
  666   HD21  LEU  80          HD21      LEU  80  16.752   1.343   3.192
  667   HD22  LEU  80          HD22      LEU  80  16.488   2.653   4.342
  668   HD23  LEU  80          HD23      LEU  80  15.739   1.079   4.611
  669    H    GLY  81           H        GLY  81  17.296   4.728   3.864
  670    HA2  GLY  81           HA3      GLY  81  16.459   4.270   6.410
  671    HA3  GLY  81           HA2      GLY  81  17.797   5.335   6.002
  672    H    GLY  82           H        GLY  82  16.501   7.469   4.831
  673    HA2  GLY  82           HA3      GLY  82  15.580   8.871   7.115
  674    HA3  GLY  82           HA2      GLY  82  15.540   9.459   5.462
  675    H    LYS  83           H        LYS  83  13.851   7.182   4.576
  676    HA   LYS  83           HA       LYS  83  11.461   8.755   5.008
  677    HB2  LYS  83           HB2      LYS  83  11.626   6.448   3.110
  678    HB3  LYS  83           HB3      LYS  83  10.712   7.943   2.970
  679    HG2  LYS  83           HG2      LYS  83  13.687   7.621   2.647
  680    HG3  LYS  83           HG3      LYS  83  12.510   7.916   1.368
  681    HD2  LYS  83           HD2      LYS  83  12.013  10.099   2.273
  682    HD3  LYS  83           HD3      LYS  83  13.061   9.798   3.660
  683    HE2  LYS  83           HE2      LYS  83  14.166  11.213   2.003
  684    HE3  LYS  83           HE3      LYS  83  14.996   9.667   2.183
  685    HZ1  LYS  83           HZ1      LYS  83  14.644  10.491  -0.157
  686    HZ2  LYS  83           HZ2      LYS  83  12.992  10.156   0.053
  687    HZ3  LYS  83           HZ3      LYS  83  14.132   8.906   0.155
  688    H    THR  84           H        THR  84   9.464   7.916   5.644
  689    HA   THR  84           HA       THR  84   9.456   5.106   6.539
  690    HB   THR  84           HB       THR  84   7.750   5.608   8.122
  691    HG1  THR  84           HG1      THR  84   6.805   7.195   6.496
  692   HG21  THR  84          HG21      THR  84   9.973   6.319   8.879
  693   HG22  THR  84          HG22      THR  84   8.707   7.342   9.556
  694   HG23  THR  84          HG23      THR  84   9.687   7.927   8.210
  695    H    LEU  85           H        LEU  85   8.031   3.786   5.355
  696    HA   LEU  85           HA       LEU  85   6.505   5.344   3.410
  697    HB2  LEU  85           HB2      LEU  85   6.415   3.528   1.935
  698    HB3  LEU  85           HB3      LEU  85   8.064   3.597   2.506
  699    HG   LEU  85           HG       LEU  85   6.108   1.709   3.730
  700   HD11  LEU  85          HD11      LEU  85   6.830   0.015   2.132
  701   HD12  LEU  85          HD12      LEU  85   6.026   1.351   1.311
  702   HD13  LEU  85          HD13      LEU  85   7.784   1.223   1.272
  703   HD21  LEU  85          HD21      LEU  85   9.091   1.740   3.400
  704   HD22  LEU  85          HD22      LEU  85   8.177   1.959   4.892
  705   HD23  LEU  85          HD23      LEU  85   8.170   0.396   4.077
  706    H    VAL  86           H        VAL  86   4.368   5.156   3.287
  707    HA   VAL  86           HA       VAL  86   2.987   3.318   5.040
  708    HB   VAL  86           HB       VAL  86   1.128   4.822   5.398
  709   HG11  VAL  86          HG11      VAL  86   2.827   4.681   7.114
  710   HG12  VAL  86          HG12      VAL  86   3.792   5.923   6.317
  711   HG13  VAL  86          HG13      VAL  86   2.229   6.337   7.021
  712   HG21  VAL  86          HG21      VAL  86   1.347   6.277   3.473
  713   HG22  VAL  86          HG22      VAL  86   1.390   7.245   4.947
  714   HG23  VAL  86          HG23      VAL  86   2.884   6.900   4.074
  715    H    MET  87           H        MET  87   1.018   2.501   4.196
  716    HA   MET  87           HA       MET  87   0.559   3.106   1.361
  717    HB2  MET  87           HB2      MET  87   2.066   1.280   1.223
  718    HB3  MET  87           HB3      MET  87   1.272   0.418   2.528
  719    HG2  MET  87           HG2      MET  87  -0.720   0.201   1.001
  720    HG3  MET  87           HG3      MET  87   0.330   0.791  -0.290
  721    HE1  MET  87           HE1      MET  87   3.122  -0.453   0.784
  722    HE2  MET  87           HE2      MET  87   3.199  -1.923  -0.186
  723    HE3  MET  87           HE3      MET  87   2.660  -0.413  -0.917
  724    H    ALA  88           H        ALA  88  -1.661   2.957   0.809
  725    HA   ALA  88           HA       ALA  88  -3.453   2.259   3.004
  726    HB1  ALA  88           HB1      ALA  88  -4.600   4.467   2.748
  727    HB2  ALA  88           HB2      ALA  88  -2.979   4.559   3.457
  728    HB3  ALA  88           HB3      ALA  88  -3.228   4.996   1.767
  729    H    VAL  89           H        VAL  89  -4.701   0.849   1.953
  730    HA   VAL  89           HA       VAL  89  -5.887   1.402  -0.569
  731    HB   VAL  89           HB       VAL  89  -7.104  -0.375   1.539
  732   HG11  VAL  89          HG11      VAL  89  -7.835  -1.657  -0.422
  733   HG12  VAL  89          HG12      VAL  89  -8.418   0.006  -0.467
  734   HG13  VAL  89          HG13      VAL  89  -7.053  -0.478  -1.474
  735   HG21  VAL  89          HG21      VAL  89  -4.840  -1.067  -0.332
  736   HG22  VAL  89          HG22      VAL  89  -4.736  -0.935   1.425
  737   HG23  VAL  89          HG23      VAL  89  -5.714  -2.209   0.693
  738    H    TYR  90           H        TYR  90  -7.586   2.697  -0.981
  739    HA   TYR  90           HA       TYR  90  -8.851   4.094   1.269
  740    HB2  TYR  90           HB2      TYR  90  -7.501   5.714   0.236
  741    HB3  TYR  90           HB3      TYR  90  -7.734   5.031  -1.363
  742    HD1  TYR  90           HD1      TYR  90  -9.683   6.782   1.319
  743    HD2  TYR  90           HD2      TYR  90  -9.108   6.142  -2.842
  744    HE1  TYR  90           HE1      TYR  90 -11.339   8.527   0.824
  745    HE2  TYR  90           HE2      TYR  90 -10.766   7.883  -3.349
  746    HH   TYR  90           HH       TYR  90 -11.932  10.056  -0.988
  747    H    ASP  91           H        ASP  91 -11.120   4.478   1.053
  748    HA   ASP  91           HA       ASP  91 -12.281   2.755  -1.018
  749    HB2  ASP  91           HB2      ASP  91 -12.908   2.557   1.313
  750    HB3  ASP  91           HB3      ASP  91 -13.603   4.181   1.270
  751    H    PHE  92           H        PHE  92 -12.739   3.625  -2.908
  752    HA   PHE  92           HA       PHE  92 -13.244   6.480  -3.117
  753    HB2  PHE  92           HB2      PHE  92 -11.836   5.137  -4.778
  754    HB3  PHE  92           HB3      PHE  92 -13.356   4.467  -5.363
  755    HD1  PHE  92           HD2      PHE  92 -11.628   7.703  -4.760
  756    HD2  PHE  92           HD1      PHE  92 -14.566   5.581  -6.990
  757    HE1  PHE  92           HE2      PHE  92 -11.921   9.656  -6.230
  758    HE2  PHE  92           HE1      PHE  92 -14.864   7.527  -8.462
  759    HZ   PHE  92           HZ       PHE  92 -13.536   9.587  -8.058
  760    H    ASP  93           H        ASP  93 -15.203   6.994  -2.366
  761    HA   ASP  93           HA       ASP  93 -17.425   5.163  -2.838
  762    HB2  ASP  93           HB2      ASP  93 -18.494   6.217  -0.995
  763    HB3  ASP  93           HB3      ASP  93 -16.792   6.034  -0.550
  764    H    ARG  94           H        ARG  94 -16.125   7.716  -4.387
  765    HA   ARG  94           HA       ARG  94 -16.797   8.766  -6.274
  766    HB2  ARG  94           HB2      ARG  94 -19.181   6.929  -6.071
  767    HB3  ARG  94           HB3      ARG  94 -18.701   7.831  -7.501
  768    HG2  ARG  94           HG2      ARG  94 -16.636   6.577  -7.643
  769    HG3  ARG  94           HG3      ARG  94 -17.024   5.725  -6.150
  770    HD2  ARG  94           HD2      ARG  94 -17.520   4.320  -8.061
  771    HD3  ARG  94           HD3      ARG  94 -19.014   4.767  -7.238
  772    HE   ARG  94           HE       ARG  94 -18.068   6.023  -9.736
  773   HH11  ARG  94          HH12      ARG  94 -20.598   4.721  -7.723
  774   HH12  ARG  94          HH11      ARG  94 -21.887   5.235  -8.769
  775   HH21  ARG  94          HH22      ARG  94 -19.739   6.675 -11.157
  776   HH22  ARG  94          HH21      ARG  94 -21.399   6.333 -10.744
  777    H    PHE  95           H        PHE  95 -18.237   9.461  -3.448
  778    HA   PHE  95           HA       PHE  95 -20.044  11.434  -4.656
  779    HB2  PHE  95           HB2      PHE  95 -21.333   9.358  -4.119
  780    HB3  PHE  95           HB3      PHE  95 -20.887   9.558  -2.431
  781    HD1  PHE  95           HD1      PHE  95 -22.839  11.003  -5.205
  782    HD2  PHE  95           HD2      PHE  95 -22.021  11.087  -1.033
  783    HE1  PHE  95           HE1      PHE  95 -24.810  12.433  -4.850
  784    HE2  PHE  95           HE2      PHE  95 -23.988  12.514  -0.671
  785    HZ   PHE  95           HZ       PHE  95 -25.416  13.157  -2.610
  786    H    SER  96           H        SER  96 -19.516  10.292  -1.315
  787    HA   SER  96           HA       SER  96 -19.067  13.075  -0.502
  788    HB2  SER  96           HB2      SER  96 -19.178  12.162   1.817
  789    HB3  SER  96           HB3      SER  96 -20.621  11.787   0.877
  790    HG   SER  96           HG       SER  96 -18.534   9.923   0.850
  791    H    LYS  97           H        LYS  97 -17.166  13.277   1.276
  792    HA   LYS  97           HA       LYS  97 -14.836  11.912   0.308
  793    HB2  LYS  97           HB2      LYS  97 -15.222  13.331   2.950
  794    HB3  LYS  97           HB3      LYS  97 -13.686  12.870   2.238
  795    HG2  LYS  97           HG2      LYS  97 -14.026  14.456   0.432
  796    HG3  LYS  97           HG3      LYS  97 -15.598  14.900   1.107
  797    HD2  LYS  97           HD2      LYS  97 -14.448  15.581   3.197
  798    HD3  LYS  97           HD3      LYS  97 -12.903  15.251   2.418
  799    HE2  LYS  97           HE2      LYS  97 -13.336  16.960   0.762
  800    HE3  LYS  97           HE3      LYS  97 -14.943  17.238   1.434
  801    HZ1  LYS  97           HZ1      LYS  97 -13.850  17.894   3.534
  802    HZ2  LYS  97           HZ2      LYS  97 -13.475  18.918   2.239
  803    HZ3  LYS  97           HZ3      LYS  97 -12.341  17.769   2.766
  804    H    HIS  98           H        HIS  98 -14.909   9.672   0.564
  805    HA   HIS  98           HA       HIS  98 -15.509   8.708   3.194
  806    HB2  HIS  98           HB2      HIS  98 -15.467   7.429   0.653
  807    HB3  HIS  98           HB3      HIS  98 -14.431   6.553   1.791
  808    HD1  HIS  98           HD1      HIS  98 -15.724   6.509   4.349
  809    HD2  HIS  98           HD2      HIS  98 -18.032   6.528   0.901
  810    HE1  HIS  98           HE1      HIS  98 -18.001   5.748   5.064
  811    HE2  HIS  98           HE2      HIS  98 -19.298   5.533   2.922
  812    H    ASP  99           H        ASP  99 -14.246   8.128   4.697
  813    HA   ASP  99           HA       ASP  99 -11.452   8.704   4.673
  814    HB2  ASP  99           HB2      ASP  99 -12.786   6.828   6.595
  815    HB3  ASP  99           HB3      ASP  99 -11.465   7.954   6.905
  816    H    ILE 100           H        ILE 100  -9.766   7.242   4.370
  817    HA   ILE 100           HA       ILE 100 -10.340   5.190   2.555
  818    HB   ILE 100           HB       ILE 100  -8.083   4.820   2.330
  819   HG12  ILE 100          HG12      ILE 100  -7.832   4.089   4.765
  820   HG13  ILE 100          HG13      ILE 100  -6.435   4.830   3.996
  821   HG21  ILE 100          HG21      ILE 100  -6.893   6.946   2.580
  822   HG22  ILE 100          HG22      ILE 100  -8.515   7.168   1.922
  823   HG23  ILE 100          HG23      ILE 100  -8.191   7.542   3.614
  824   HD11  ILE 100          HD11      ILE 100  -8.350   6.212   5.868
  825   HD12  ILE 100          HD12      ILE 100  -6.744   5.614   6.286
  826   HD13  ILE 100          HD13      ILE 100  -6.920   6.932   5.128
  827    H    ILE 101           H        ILE 101  -9.948   2.862   2.796
  828    HA   ILE 101           HA       ILE 101 -11.530   2.024   5.010
  829    HB   ILE 101           HB       ILE 101 -11.214  -0.289   4.082
  830   HG12  ILE 101          HG12      ILE 101  -9.470   1.251   2.201
  831   HG13  ILE 101          HG13      ILE 101  -9.219  -0.332   2.923
  832   HG21  ILE 101          HG21      ILE 101 -13.140   1.068   3.548
  833   HG22  ILE 101          HG22      ILE 101 -12.258   1.840   2.231
  834   HG23  ILE 101          HG23      ILE 101 -12.648   0.123   2.143
  835   HD11  ILE 101          HD11      ILE 101  -9.605  -0.523   0.539
  836   HD12  ILE 101          HD12      ILE 101 -10.903  -1.295   1.449
  837   HD13  ILE 101          HD13      ILE 101 -11.163   0.285   0.711
  838    H    GLY 102           H        GLY 102  -8.179   1.384   3.999
  839    HA2  GLY 102           HA3      GLY 102  -7.383   1.631   6.718
  840    HA3  GLY 102           HA2      GLY 102  -7.348  -0.056   6.194
  841    H    GLU 103           H        GLU 103  -5.074   0.710   6.941
  842    HA   GLU 103           HA       GLU 103  -3.347   1.053   4.701
  843    HB2  GLU 103           HB2      GLU 103  -3.436   3.323   4.661
  844    HB3  GLU 103           HB3      GLU 103  -4.330   3.387   6.169
  845    HG2  GLU 103           HG2      GLU 103  -2.454   4.536   6.751
  846    HG3  GLU 103           HG3      GLU 103  -1.980   2.909   7.226
  847    H    PHE 104           H        PHE 104  -1.256   0.680   5.354
  848    HA   PHE 104           HA       PHE 104  -0.397   0.823   8.041
  849    HB2  PHE 104           HB2      PHE 104  -1.629  -1.501   7.783
  850    HB3  PHE 104           HB3      PHE 104  -0.077  -1.959   7.084
  851    HD1  PHE 104           HD2      PHE 104   2.032  -1.453   8.473
  852    HD2  PHE 104           HD1      PHE 104  -1.900  -1.461  10.099
  853    HE1  PHE 104           HE2      PHE 104   2.970  -1.711  10.732
  854    HE2  PHE 104           HE1      PHE 104  -0.967  -1.715  12.361
  855    HZ   PHE 104           HZ       PHE 104   1.471  -1.840  12.680
  856    H    LYS 105           H        LYS 105   1.715   1.410   7.870
  857    HA   LYS 105           HA       LYS 105   3.354  -0.273   6.227
  858    HB2  LYS 105           HB2      LYS 105   2.628   1.916   5.042
  859    HB3  LYS 105           HB3      LYS 105   4.075   2.477   5.872
  860    HG2  LYS 105           HG2      LYS 105   4.989   1.714   3.924
  861    HG3  LYS 105           HG3      LYS 105   5.114   0.269   4.921
  862    HD2  LYS 105           HD2      LYS 105   2.727   0.722   3.183
  863    HD3  LYS 105           HD3      LYS 105   4.221   0.074   2.510
  864    HE2  LYS 105           HE2      LYS 105   3.937  -1.935   3.494
  865    HE3  LYS 105           HE3      LYS 105   3.270  -1.231   4.969
  866    HZ1  LYS 105           HZ1      LYS 105   1.612  -2.524   3.758
  867    HZ2  LYS 105           HZ2      LYS 105   1.798  -1.529   2.401
  868    HZ3  LYS 105           HZ3      LYS 105   1.172  -0.881   3.852
  869    H    VAL 106           H        VAL 106   5.769   1.135   6.535
  870    HA   VAL 106           HA       VAL 106   6.270   0.813   9.323
  871    HB   VAL 106           HB       VAL 106   5.996  -1.526   8.787
  872   HG11  VAL 106          HG11      VAL 106   7.973  -1.108   6.554
  873   HG12  VAL 106          HG12      VAL 106   7.318  -2.661   7.070
  874   HG13  VAL 106          HG13      VAL 106   6.251  -1.441   6.378
  875   HG21  VAL 106          HG21      VAL 106   8.920  -0.824   8.964
  876   HG22  VAL 106          HG22      VAL 106   7.800  -0.993  10.314
  877   HG23  VAL 106          HG23      VAL 106   8.218  -2.399   9.335
  878    HA   PRO 107           HA       PRO 107   9.075   3.858   7.794
  879    HB2  PRO 107           HB2      PRO 107  10.936   3.573   9.829
  880    HB3  PRO 107           HB3      PRO 107   9.496   4.603   9.875
  881    HG2  PRO 107           HG2      PRO 107   9.828   1.803  10.882
  882    HG3  PRO 107           HG3      PRO 107   9.089   3.195  11.702
  883    HD2  PRO 107           HD2      PRO 107   7.499   1.446  10.583
  884    HD3  PRO 107           HD3      PRO 107   7.230   3.174  10.254
  885    H    MET 108           H        MET 108  10.543   3.715   6.380
  886    HA   MET 108           HA       MET 108  11.353   1.278   5.328
  887    HB2  MET 108           HB2      MET 108  12.453   4.033   4.757
  888    HB3  MET 108           HB3      MET 108  12.608   2.632   3.704
  889    HG2  MET 108           HG2      MET 108  10.124   2.629   3.507
  890    HG3  MET 108           HG3      MET 108  10.108   4.121   4.444
  891    HE1  MET 108           HE1      MET 108  12.723   3.063   1.689
  892    HE2  MET 108           HE2      MET 108  11.201   2.448   1.044
  893    HE3  MET 108           HE3      MET 108  12.015   3.797   0.250
  894    H    ASN 109           H        ASN 109  12.773   3.391   7.620
  895    HA   ASN 109           HA       ASN 109  15.505   2.652   7.271
  896    HB2  ASN 109           HB2      ASN 109  15.573   3.529   9.770
  897    HB3  ASN 109           HB3      ASN 109  15.410   4.635   8.410
  898   HD21  ASN 109          HD21      ASN 109  13.498   5.699   8.066
  899   HD22  ASN 109          HD22      ASN 109  12.237   5.747   9.263
  900    H    THR 110           H        THR 110  12.841   1.297   9.039
  901    HA   THR 110           HA       THR 110  14.592  -0.419  10.594
  902    HB   THR 110           HB       THR 110  12.469  -1.304  11.577
  903    HG1  THR 110           HG1      THR 110  11.395   0.147   9.531
  904   HG21  THR 110          HG21      THR 110  11.932   0.720  12.868
  905   HG22  THR 110          HG22      THR 110  12.819   1.693  11.692
  906   HG23  THR 110          HG23      THR 110  13.674   0.506  12.680
  907    H    VAL 111           H        VAL 111  12.848  -0.382   7.670
  908    HA   VAL 111           HA       VAL 111  12.631  -3.264   7.539
  909    HB   VAL 111           HB       VAL 111  12.007  -1.366   5.294
  910   HG11  VAL 111          HG11      VAL 111  10.470  -3.148   4.609
  911   HG12  VAL 111          HG12      VAL 111  12.132  -3.728   4.720
  912   HG13  VAL 111          HG13      VAL 111  10.978  -4.113   5.995
  913   HG21  VAL 111          HG21      VAL 111  10.771  -0.566   7.204
  914   HG22  VAL 111          HG22      VAL 111   9.674  -1.374   6.086
  915   HG23  VAL 111          HG23      VAL 111  10.197  -2.196   7.554
  916    H    ASP 112           H        ASP 112  14.361  -4.353   7.035
  917    HA   ASP 112           HA       ASP 112  16.477  -3.246   5.422
  918    HB2  ASP 112           HB2      ASP 112  17.171  -4.664   7.213
  919    HB3  ASP 112           HB3      ASP 112  16.083  -5.952   6.699
  920    H    PHE 113           H        PHE 113  16.171  -3.073   3.304
  921    HA   PHE 113           HA       PHE 113  14.893  -5.274   1.867
  922    HB2  PHE 113           HB2      PHE 113  15.521  -2.431   1.146
  923    HB3  PHE 113           HB3      PHE 113  15.253  -3.622  -0.121
  924    HD1  PHE 113           HD1      PHE 113  13.711  -1.904   2.748
  925    HD2  PHE 113           HD2      PHE 113  13.080  -4.427  -0.625
  926    HE1  PHE 113           HE1      PHE 113  11.280  -1.604   2.976
  927    HE2  PHE 113           HE2      PHE 113  10.649  -4.129  -0.400
  928    HZ   PHE 113           HZ       PHE 113   9.745  -2.714   1.401
  929    H    GLY 114           H        GLY 114  16.885  -6.440   2.648
  930    HA2  GLY 114           HA3      GLY 114  19.312  -6.074   1.160
  931    HA3  GLY 114           HA2      GLY 114  18.902  -7.447   2.182
  932    H    HIS 115           H        HIS 115  16.737  -8.507   1.123
  933    HA   HIS 115           HA       HIS 115  17.345  -8.971  -1.710
  934    HB2  HIS 115           HB2      HIS 115  16.235 -10.985   0.266
  935    HB3  HIS 115           HB3      HIS 115  16.456 -11.268  -1.455
  936    HD1  HIS 115           HD1      HIS 115  17.853 -12.677   1.159
  937    HD2  HIS 115           HD2      HIS 115  19.568 -10.137  -1.656
  938    HE1  HIS 115           HE1      HIS 115  20.324 -13.155   1.224
  939    HE2  HIS 115           HE2      HIS 115  21.301 -11.772  -0.646
  940    H    VAL 116           H        VAL 116  14.621 -10.576  -0.468
  941    HA   VAL 116           HA       VAL 116  12.858  -8.480  -1.555
  942    HB   VAL 116           HB       VAL 116  12.236 -11.434  -1.330
  943   HG11  VAL 116          HG11      VAL 116  10.363 -10.893  -2.830
  944   HG12  VAL 116          HG12      VAL 116  10.266 -10.010  -1.307
  945   HG13  VAL 116          HG13      VAL 116  10.816  -9.190  -2.768
  946   HG21  VAL 116          HG21      VAL 116  12.574 -11.571  -3.747
  947   HG22  VAL 116          HG22      VAL 116  13.083  -9.882  -3.779
  948   HG23  VAL 116          HG23      VAL 116  14.058 -11.081  -2.928
  949    H    THR 117           H        THR 117  11.588  -7.504  -0.106
  950    HA   THR 117           HA       THR 117  11.378  -8.603   2.564
  951    HB   THR 117           HB       THR 117  10.395  -5.994   1.399
  952    HG1  THR 117           HG1      THR 117  12.676  -6.874   2.762
  953   HG21  THR 117          HG21      THR 117   8.954  -6.679   3.257
  954   HG22  THR 117          HG22      THR 117   9.974  -5.319   3.726
  955   HG23  THR 117          HG23      THR 117  10.372  -6.950   4.269
  956    H    GLU 118           H        GLU 118   9.985 -10.118   2.839
  957    HA   GLU 118           HA       GLU 118   7.337  -9.948   1.552
  958    HB2  GLU 118           HB2      GLU 118   7.620 -12.571   2.327
  959    HB3  GLU 118           HB3      GLU 118   7.883 -11.959   0.703
  960    HG2  GLU 118           HG2      GLU 118   9.730 -13.337   1.308
  961    HG3  GLU 118           HG3      GLU 118  10.281 -11.666   1.256
  962    H    GLU 119           H        GLU 119   5.687  -9.539   2.898
  963    HA   GLU 119           HA       GLU 119   5.671 -10.917   5.427
  964    HB2  GLU 119           HB2      GLU 119   5.242  -8.797   6.693
  965    HB3  GLU 119           HB3      GLU 119   6.915  -9.062   6.196
  966    HG2  GLU 119           HG2      GLU 119   6.586  -7.550   4.296
  967    HG3  GLU 119           HG3      GLU 119   4.927  -7.262   4.820
  968    H    TRP 120           H        TRP 120   3.791 -10.770   6.501
  969    HA   TRP 120           HA       TRP 120   1.484 -10.210   4.801
  970    HB2  TRP 120           HB2      TRP 120   1.294 -11.379   7.568
  971    HB3  TRP 120           HB3      TRP 120   0.238 -11.636   6.185
  972    HD1  TRP 120           HD1      TRP 120   2.045 -13.780   8.126
  973    HE1  TRP 120           HE1      TRP 120   3.275 -15.655   6.861
  974    HE3  TRP 120           HE3      TRP 120   2.058 -11.726   3.447
  975    HZ2  TRP 120           HZ2      TRP 120   4.140 -16.184   4.217
  976    HZ3  TRP 120           HZ3      TRP 120   3.095 -12.962   1.608
  977    HH2  TRP 120           HH2      TRP 120   4.125 -15.158   1.983
  978    H    ARG 121           H        ARG 121   0.922  -8.100   4.927
  979    HA   ARG 121           HA       ARG 121   1.377  -6.797   7.524
  980    HB2  ARG 121           HB2      ARG 121   2.826  -6.031   5.696
  981    HB3  ARG 121           HB3      ARG 121   1.412  -5.637   4.731
  982    HG2  ARG 121           HG2      ARG 121   2.388  -3.644   5.741
  983    HG3  ARG 121           HG3      ARG 121   0.758  -3.932   6.355
  984    HD2  ARG 121           HD2      ARG 121   2.165  -3.314   8.195
  985    HD3  ARG 121           HD3      ARG 121   1.768  -5.024   8.346
  986    HE   ARG 121           HE       ARG 121   4.181  -4.903   6.975
  987   HH11  ARG 121          HH12      ARG 121   2.960  -4.017  10.147
  988   HH12  ARG 121          HH11      ARG 121   4.514  -4.132  10.911
  989   HH21  ARG 121          HH22      ARG 121   6.201  -5.082   7.980
  990   HH22  ARG 121          HH21      ARG 121   6.357  -4.743   9.682
  991    H    ASP 122           H        ASP 122  -0.257  -5.552   8.398
  992    HA   ASP 122           HA       ASP 122  -2.855  -6.485   7.449
  993    HB2  ASP 122           HB2      ASP 122  -3.552  -6.054   9.853
  994    HB3  ASP 122           HB3      ASP 122  -2.419  -7.377   9.612
  995    H    LEU 123           H        LEU 123  -4.452  -5.018   7.037
  996    HA   LEU 123           HA       LEU 123  -3.341  -2.305   6.734
  997    HB2  LEU 123           HB2      LEU 123  -5.901  -3.584   5.817
  998    HB3  LEU 123           HB3      LEU 123  -5.385  -1.951   5.394
  999    HG   LEU 123           HG       LEU 123  -3.918  -4.482   4.637
 1000   HD11  LEU 123          HD11      LEU 123  -6.027  -4.112   3.423
 1001   HD12  LEU 123          HD12      LEU 123  -5.428  -2.533   2.919
 1002   HD13  LEU 123          HD13      LEU 123  -4.602  -4.001   2.384
 1003   HD21  LEU 123          HD21      LEU 123  -2.502  -3.002   3.300
 1004   HD22  LEU 123          HD22      LEU 123  -3.358  -1.601   3.946
 1005   HD23  LEU 123          HD23      LEU 123  -2.395  -2.616   5.020
 1006    H    GLN 124           H        GLN 124  -3.699  -0.974   8.564
 1007    HA   GLN 124           HA       GLN 124  -5.938  -1.676  10.217
 1008    HB2  GLN 124           HB2      GLN 124  -5.248   0.215  11.632
 1009    HB3  GLN 124           HB3      GLN 124  -3.891  -0.851  11.281
 1010    HG2  GLN 124           HG2      GLN 124  -3.040   0.634   9.662
 1011    HG3  GLN 124           HG3      GLN 124  -4.450   1.672   9.739
 1012   HE21  GLN 124          HE21      GLN 124  -1.647   0.568  11.167
 1013   HE22  GLN 124          HE22      GLN 124  -1.401   1.824  12.353
 1014    H    SER 125           H        SER 125  -7.751  -0.588  10.436
 1015    HA   SER 125           HA       SER 125  -8.521   0.905   8.129
 1016    HB2  SER 125           HB2      SER 125 -10.111  -0.641   9.264
 1017    HB3  SER 125           HB3      SER 125 -10.113   0.436  10.658
 1018    HG   SER 125           HG       SER 125 -10.790   1.295   8.045
 1019    H    ALA 126           H        ALA 126  -7.847   2.896   7.959
 1020    HA   ALA 126           HA       ALA 126  -7.192   4.295  10.418
 1021    HB1  ALA 126           HB1      ALA 126  -6.458   4.978   7.579
 1022    HB2  ALA 126           HB2      ALA 126  -5.841   5.759   9.036
 1023    HB3  ALA 126           HB3      ALA 126  -5.457   4.068   8.713
 1024    H    GLU 127           H        GLU 127  -8.062   5.996  11.098
 1025    HA   GLU 127           HA       GLU 127 -10.270   7.259   9.640
 1026    HB2  GLU 127           HB2      GLU 127 -10.561   6.511  12.017
 1027    HB3  GLU 127           HB3      GLU 127  -9.339   7.676  12.496
 1028    HG2  GLU 127           HG2      GLU 127 -11.488   8.588  12.966
 1029    HG3  GLU 127           HG3      GLU 127 -10.786   9.485  11.620
 1030    H    LYS 128           H        LYS 128  -8.824   8.282   8.112
 1031    HA   LYS 128           HA       LYS 128  -7.320  10.556   9.240
 1032    HB2  LYS 128           HB2      LYS 128  -6.708   9.024   6.705
 1033    HB3  LYS 128           HB3      LYS 128  -5.789  10.381   7.338
 1034    HG2  LYS 128           HG2      LYS 128  -5.145   9.065   9.277
 1035    HG3  LYS 128           HG3      LYS 128  -6.110   7.708   8.688
 1036    HD2  LYS 128           HD2      LYS 128  -3.802   7.325   8.118
 1037    HD3  LYS 128           HD3      LYS 128  -4.706   7.663   6.642
 1038    HE2  LYS 128           HE2      LYS 128  -3.953  10.076   6.919
 1039    HE3  LYS 128           HE3      LYS 128  -2.827   9.475   8.133
 1040    HZ1  LYS 128           HZ1      LYS 128  -1.675   9.580   6.087
 1041    HZ2  LYS 128           HZ2      LYS 128  -2.916   8.783   5.254
 1042    HZ3  LYS 128           HZ3      LYS 128  -1.969   7.933   6.378
  Start of MODEL   13
    1    H1   GLU   1           H1       GLU   1  -4.002  -1.093  14.881
    2    H2   GLU   1           H2       GLU   1  -5.439  -1.377  15.738
    3    H3   GLU   1           H3       GLU   1  -4.905   0.213  15.476
    4    HA   GLU   1           HA       GLU   1  -6.739  -0.380  14.025
    5    HB2  GLU   1           HB2      GLU   1  -5.600   0.240  11.876
    6    HB3  GLU   1           HB3      GLU   1  -5.315   1.321  13.221
    7    HG2  GLU   1           HG2      GLU   1  -3.380  -0.834  12.461
    8    HG3  GLU   1           HG3      GLU   1  -3.351   0.768  11.714
    9    H    LYS   2           H        LYS   2  -7.238  -1.515  11.836
   10    HA   LYS   2           HA       LYS   2  -6.106  -4.027  11.340
   11    HB2  LYS   2           HB2      LYS   2  -7.701  -5.492  12.496
   12    HB3  LYS   2           HB3      LYS   2  -6.791  -4.517  13.641
   13    HG2  LYS   2           HG2      LYS   2  -9.489  -3.646  12.697
   14    HG3  LYS   2           HG3      LYS   2  -9.324  -4.824  13.988
   15    HD2  LYS   2           HD2      LYS   2  -8.256  -3.268  15.401
   16    HD3  LYS   2           HD3      LYS   2  -7.971  -2.147  14.065
   17    HE2  LYS   2           HE2      LYS   2 -10.400  -1.848  13.833
   18    HE3  LYS   2           HE3      LYS   2 -10.651  -2.901  15.228
   19    HZ1  LYS   2           HZ1      LYS   2 -10.757  -0.609  15.903
   20    HZ2  LYS   2           HZ2      LYS   2  -9.240  -0.284  15.223
   21    HZ3  LYS   2           HZ3      LYS   2  -9.368  -1.310  16.565
   22    H    LEU   3           H        LEU   3  -6.657  -3.139   9.264
   23    HA   LEU   3           HA       LEU   3  -9.378  -3.237   8.485
   24    HB2  LEU   3           HB2      LEU   3  -6.858  -2.531   7.130
   25    HB3  LEU   3           HB3      LEU   3  -8.154  -3.180   6.121
   26    HG   LEU   3           HG       LEU   3  -9.542  -1.385   7.505
   27   HD11  LEU   3          HD11      LEU   3  -6.777  -0.272   7.385
   28   HD12  LEU   3          HD12      LEU   3  -8.235   0.658   7.736
   29   HD13  LEU   3          HD13      LEU   3  -7.722  -0.624   8.830
   30   HD21  LEU   3          HD21      LEU   3  -7.883  -0.764   5.084
   31   HD22  LEU   3          HD22      LEU   3  -9.435  -1.602   5.079
   32   HD23  LEU   3          HD23      LEU   3  -9.345   0.084   5.591
   33    H    GLY   4           H        GLY   4  -7.238  -5.614   9.172
   34    HA2  GLY   4           HA3      GLY   4  -7.149  -7.838   8.333
   35    HA3  GLY   4           HA2      GLY   4  -8.000  -7.284   6.886
   36    H    LYS   5           H        LYS   5  -6.285  -8.037   5.376
   37    HA   LYS   5           HA       LYS   5  -3.732  -6.717   5.834
   38    HB2  LYS   5           HB2      LYS   5  -3.844  -9.737   5.924
   39    HB3  LYS   5           HB3      LYS   5  -2.401  -8.744   6.026
   40    HG2  LYS   5           HG2      LYS   5  -3.144  -7.831   8.147
   41    HG3  LYS   5           HG3      LYS   5  -4.638  -8.759   8.044
   42    HD2  LYS   5           HD2      LYS   5  -3.190  -9.938   9.513
   43    HD3  LYS   5           HD3      LYS   5  -3.219 -10.838   7.996
   44    HE2  LYS   5           HE2      LYS   5  -1.087  -9.883   7.354
   45    HE3  LYS   5           HE3      LYS   5  -1.072  -8.878   8.802
   46    HZ1  LYS   5           HZ1      LYS   5  -0.959 -10.857  10.160
   47    HZ2  LYS   5           HZ2      LYS   5   0.315 -10.862   9.041
   48    HZ3  LYS   5           HZ3      LYS   5  -1.039 -11.850   8.788
   49    H    LEU   6           H        LEU   6  -2.180  -7.082   4.201
   50    HA   LEU   6           HA       LEU   6  -3.272  -8.072   1.685
   51    HB2  LEU   6           HB2      LEU   6  -3.113  -6.034   0.719
   52    HB3  LEU   6           HB3      LEU   6  -3.031  -5.462   2.366
   53    HG   LEU   6           HG       LEU   6  -0.506  -6.039   0.927
   54   HD11  LEU   6          HD11      LEU   6  -0.437  -3.798   0.064
   55   HD12  LEU   6          HD12      LEU   6  -1.915  -4.563  -0.523
   56   HD13  LEU   6          HD13      LEU   6  -1.989  -3.402   0.816
   57   HD21  LEU   6          HD21      LEU   6  -1.307  -3.995   3.021
   58   HD22  LEU   6          HD22      LEU   6  -0.521  -5.543   3.367
   59   HD23  LEU   6          HD23      LEU   6   0.331  -4.311   2.437
   60    H    GLN   7           H        GLN   7  -2.037  -9.713   1.074
   61    HA   GLN   7           HA       GLN   7   0.501  -9.990   2.469
   62    HB2  GLN   7           HB2      GLN   7   0.258 -12.391   1.992
   63    HB3  GLN   7           HB3      GLN   7  -1.122 -11.746   2.859
   64    HG2  GLN   7           HG2      GLN   7  -1.351 -11.823  -0.078
   65    HG3  GLN   7           HG3      GLN   7  -1.300 -13.377   0.745
   66   HE21  GLN   7          HE21      GLN   7  -2.674 -10.491   2.169
   67   HE22  GLN   7          HE22      GLN   7  -4.327 -11.030   2.125
   68    H    TYR   8           H        TYR   8   2.245  -9.297   1.293
   69    HA   TYR   8           HA       TYR   8   2.760 -11.084  -0.849
   70    HB2  TYR   8           HB2      TYR   8   1.753  -9.014  -1.964
   71    HB3  TYR   8           HB3      TYR   8   3.391  -8.378  -1.805
   72    HD1  TYR   8           HD2      TYR   8   2.685 -12.000  -2.239
   73    HD2  TYR   8           HD1      TYR   8   3.896  -8.397  -4.150
   74    HE1  TYR   8           HE2      TYR   8   3.402 -13.286  -4.212
   75    HE2  TYR   8           HE1      TYR   8   4.595  -9.670  -6.127
   76    HH   TYR   8           HH       TYR   8   5.285 -11.910  -6.713
   77    H    SER   9           H        SER   9   4.879  -9.580  -2.001
   78    HA   SER   9           HA       SER   9   6.941 -10.031   0.050
   79    HB2  SER   9           HB2      SER   9   7.078 -11.410  -2.638
   80    HB3  SER   9           HB3      SER   9   8.047 -11.726  -1.201
   81    HG   SER   9           HG       SER   9   5.478 -12.079  -0.587
   82    H    LEU  10           H        LEU  10   8.235  -8.308  -0.166
   83    HA   LEU  10           HA       LEU  10   7.832  -6.496  -2.434
   84    HB2  LEU  10           HB2      LEU  10   8.982  -5.919   0.305
   85    HB3  LEU  10           HB3      LEU  10   8.509  -4.742  -0.890
   86    HG   LEU  10           HG       LEU  10   7.010  -4.891   1.073
   87   HD11  LEU  10          HD11      LEU  10   5.768  -5.547  -1.577
   88   HD12  LEU  10          HD12      LEU  10   4.871  -4.977  -0.164
   89   HD13  LEU  10          HD13      LEU  10   6.094  -3.941  -0.919
   90   HD21  LEU  10          HD21      LEU  10   6.274  -7.569  -0.038
   91   HD22  LEU  10          HD22      LEU  10   7.029  -7.244   1.525
   92   HD23  LEU  10          HD23      LEU  10   5.377  -6.705   1.213
   93    H    ASP  11           H        ASP  11   9.679  -5.592  -3.598
   94    HA   ASP  11           HA       ASP  11  12.221  -6.921  -2.863
   95    HB2  ASP  11           HB2      ASP  11  11.157  -8.160  -4.686
   96    HB3  ASP  11           HB3      ASP  11  10.951  -6.679  -5.607
   97    H    TYR  12           H        TYR  12  14.055  -5.851  -4.251
   98    HA   TYR  12           HA       TYR  12  13.625  -2.961  -4.634
   99    HB2  TYR  12           HB2      TYR  12  14.434  -2.633  -2.553
  100    HB3  TYR  12           HB3      TYR  12  15.045  -4.271  -2.424
  101    HD1  TYR  12           HD2      TYR  12  15.809  -0.867  -3.586
  102    HD2  TYR  12           HD1      TYR  12  17.366  -4.741  -2.771
  103    HE1  TYR  12           HE2      TYR  12  18.088   0.010  -3.826
  104    HE2  TYR  12           HE1      TYR  12  19.654  -3.873  -3.016
  105    HH   TYR  12           HH       TYR  12  20.346  -0.532  -3.146
  106    H    ASP  13           H        ASP  13  14.384  -2.415  -6.507
  107    HA   ASP  13           HA       ASP  13  16.576  -4.019  -7.661
  108    HB2  ASP  13           HB2      ASP  13  14.571  -3.675  -9.086
  109    HB3  ASP  13           HB3      ASP  13  14.811  -1.933  -8.981
  110    H    PHE  14           H        PHE  14  18.618  -3.052  -7.966
  111    HA   PHE  14           HA       PHE  14  18.757  -0.786  -6.151
  112    HB2  PHE  14           HB2      PHE  14  21.163  -1.348  -5.970
  113    HB3  PHE  14           HB3      PHE  14  20.096  -2.670  -5.516
  114    HD1  PHE  14           HD2      PHE  14  22.500  -1.456  -7.999
  115    HD2  PHE  14           HD1      PHE  14  20.002  -4.694  -6.819
  116    HE1  PHE  14           HE2      PHE  14  23.675  -2.934  -9.574
  117    HE2  PHE  14           HE1      PHE  14  21.172  -6.173  -8.394
  118    HZ   PHE  14           HZ       PHE  14  23.035  -5.297  -9.753
  119    H    GLN  15           H        GLN  15  19.549  -1.461  -9.596
  120    HA   GLN  15           HA       GLN  15  20.859   1.125  -9.519
  121    HB2  GLN  15           HB2      GLN  15  21.887   0.601 -11.486
  122    HB3  GLN  15           HB3      GLN  15  21.769  -0.953 -10.717
  123    HG2  GLN  15           HG2      GLN  15  20.002   0.080 -12.914
  124    HG3  GLN  15           HG3      GLN  15  21.290  -1.107 -13.081
  125   HE21  GLN  15          HE21      GLN  15  18.043  -0.530 -12.213
  126   HE22  GLN  15          HE22      GLN  15  17.607  -2.162 -11.831
  127    H    ASN  16           H        ASN  16  17.577   0.239  -9.957
  128    HA   ASN  16           HA       ASN  16  17.430   3.006 -10.924
  129    HB2  ASN  16           HB2      ASN  16  14.931   2.494 -10.785
  130    HB3  ASN  16           HB3      ASN  16  15.835   1.708 -12.066
  131   HD21  ASN  16          HD21      ASN  16  14.279   0.080 -12.210
  132   HD22  ASN  16          HD22      ASN  16  14.177  -1.171 -11.016
  133    H    ASN  17           H        ASN  17  17.730   1.161  -8.271
  134    HA   ASN  17           HA       ASN  17  17.835   1.466  -6.105
  135    HB2  ASN  17           HB2      ASN  17  18.965   3.702  -7.162
  136    HB3  ASN  17           HB3      ASN  17  17.701   4.394  -6.135
  137   HD21  ASN  17          HD21      ASN  17  17.652   2.278  -4.273
  138   HD22  ASN  17          HD22      ASN  17  19.112   2.337  -3.337
  139    H    GLN  18           H        GLN  18  15.482   0.706  -6.609
  140    HA   GLN  18           HA       GLN  18  13.726   2.449  -5.069
  141    HB2  GLN  18           HB2      GLN  18  11.903   2.051  -6.726
  142    HB3  GLN  18           HB3      GLN  18  13.158   3.138  -7.274
  143    HG2  GLN  18           HG2      GLN  18  12.751   1.865  -9.134
  144    HG3  GLN  18           HG3      GLN  18  14.106   1.007  -8.407
  145   HE21  GLN  18          HE21      GLN  18  10.904   0.863  -7.091
  146   HE22  GLN  18          HE22      GLN  18  10.587  -0.795  -7.480
  147    H    LEU  19           H        LEU  19  12.091   1.369  -3.960
  148    HA   LEU  19           HA       LEU  19  12.419  -1.508  -3.830
  149    HB2  LEU  19           HB2      LEU  19  10.306   0.159  -2.471
  150    HB3  LEU  19           HB3      LEU  19  10.861  -1.441  -2.011
  151    HG   LEU  19           HG       LEU  19  12.525   1.071  -1.881
  152   HD11  LEU  19          HD11      LEU  19  11.213  -0.520   0.319
  153   HD12  LEU  19          HD12      LEU  19  12.285   0.864   0.537
  154   HD13  LEU  19          HD13      LEU  19  10.716   1.078  -0.239
  155   HD21  LEU  19          HD21      LEU  19  13.846  -0.940  -2.285
  156   HD22  LEU  19          HD22      LEU  19  14.118  -0.307  -0.659
  157   HD23  LEU  19          HD23      LEU  19  13.087  -1.719  -0.895
  158    H    LEU  20           H        LEU  20  10.843  -3.029  -4.474
  159    HA   LEU  20           HA       LEU  20   8.776  -2.039  -6.350
  160    HB2  LEU  20           HB2      LEU  20  11.095  -2.590  -7.207
  161    HB3  LEU  20           HB3      LEU  20  10.702  -4.237  -6.953
  162    HG   LEU  20           HG       LEU  20  10.453  -3.712  -9.275
  163   HD11  LEU  20          HD11      LEU  20   8.089  -4.311  -9.643
  164   HD12  LEU  20          HD12      LEU  20   8.876  -5.316  -8.429
  165   HD13  LEU  20          HD13      LEU  20   7.774  -4.034  -7.928
  166   HD21  LEU  20          HD21      LEU  20   8.513  -1.572  -8.438
  167   HD22  LEU  20          HD22      LEU  20  10.144  -1.307  -9.060
  168   HD23  LEU  20          HD23      LEU  20   8.912  -2.033 -10.093
  169    H    VAL  21           H        VAL  21   7.086  -2.980  -5.417
  170    HA   VAL  21           HA       VAL  21   6.840  -5.629  -6.183
  171    HB   VAL  21           HB       VAL  21   7.361  -5.464  -3.386
  172   HG11  VAL  21          HG11      VAL  21   4.985  -7.086  -4.334
  173   HG12  VAL  21          HG12      VAL  21   5.745  -7.195  -2.746
  174   HG13  VAL  21          HG13      VAL  21   4.896  -5.722  -3.220
  175   HG21  VAL  21          HG21      VAL  21   7.911  -7.789  -3.917
  176   HG22  VAL  21          HG22      VAL  21   7.108  -7.623  -5.479
  177   HG23  VAL  21          HG23      VAL  21   8.565  -6.692  -5.131
  178    H    GLY  22           H        GLY  22   5.122  -5.731  -7.318
  179    HA2  GLY  22           HA3      GLY  22   2.728  -4.526  -6.249
  180    HA3  GLY  22           HA2      GLY  22   2.818  -5.429  -7.738
  181    H    ILE  23           H        ILE  23   2.093  -5.418  -4.463
  182    HA   ILE  23           HA       ILE  23   2.467  -8.091  -3.823
  183    HB   ILE  23           HB       ILE  23   1.046  -7.686  -1.887
  184   HG12  ILE  23          HG12      ILE  23  -0.783  -6.499  -3.194
  185   HG13  ILE  23          HG13      ILE  23  -0.402  -5.814  -1.622
  186   HG21  ILE  23          HG21      ILE  23   2.088  -5.633  -1.006
  187   HG22  ILE  23          HG22      ILE  23   3.247  -6.681  -1.822
  188   HG23  ILE  23          HG23      ILE  23   2.646  -5.234  -2.630
  189   HD11  ILE  23          HD11      ILE  23  -0.789  -4.087  -3.283
  190   HD12  ILE  23          HD12      ILE  23   0.874  -4.040  -2.702
  191   HD13  ILE  23          HD13      ILE  23   0.512  -4.737  -4.282
  192    H    ILE  24           H        ILE  24  -0.270  -8.574  -2.599
  193    HA   ILE  24           HA       ILE  24  -1.303  -9.844  -5.033
  194    HB   ILE  24           HB       ILE  24  -1.174 -11.054  -2.278
  195   HG12  ILE  24          HG12      ILE  24   0.918 -11.120  -3.548
  196   HG13  ILE  24          HG13      ILE  24   0.224 -12.732  -3.406
  197   HG21  ILE  24          HG21      ILE  24  -2.427 -12.162  -4.791
  198   HG22  ILE  24          HG22      ILE  24  -2.202 -13.043  -3.280
  199   HG23  ILE  24          HG23      ILE  24  -3.289 -11.655  -3.339
  200   HD11  ILE  24          HD11      ILE  24   0.066 -10.945  -5.824
  201   HD12  ILE  24          HD12      ILE  24   1.113 -12.352  -5.631
  202   HD13  ILE  24          HD13      ILE  24  -0.638 -12.557  -5.685
  203    H    GLN  25           H        GLN  25  -2.482  -9.229  -1.733
  204    HA   GLN  25           HA       GLN  25  -5.151  -8.762  -2.720
  205    HB2  GLN  25           HB2      GLN  25  -4.524 -11.222  -2.919
  206    HB3  GLN  25           HB3      GLN  25  -4.318 -11.239  -1.183
  207    HG2  GLN  25           HG2      GLN  25  -6.888 -10.584  -2.529
  208    HG3  GLN  25           HG3      GLN  25  -6.432 -12.219  -2.060
  209   HE21  GLN  25          HE21      GLN  25  -4.976 -11.014   0.220
  210   HE22  GLN  25          HE22      GLN  25  -6.168 -10.522   1.336
  211    H    ALA  26           H        ALA  26  -6.242  -7.586  -1.185
  212    HA   ALA  26           HA       ALA  26  -5.300  -7.675   1.574
  213    HB1  ALA  26           HB1      ALA  26  -6.542  -5.540   1.803
  214    HB2  ALA  26           HB2      ALA  26  -5.237  -5.446   0.618
  215    HB3  ALA  26           HB3      ALA  26  -6.909  -5.602   0.078
  216    H    ALA  27           H        ALA  27  -6.918  -8.097   3.150
  217    HA   ALA  27           HA       ALA  27  -9.373  -9.214   2.007
  218    HB1  ALA  27           HB1      ALA  27  -7.746 -10.968   2.482
  219    HB2  ALA  27           HB2      ALA  27  -7.735 -10.482   4.179
  220    HB3  ALA  27           HB3      ALA  27  -9.209 -11.129   3.454
  221    H    GLU  28           H        GLU  28 -11.205  -8.592   2.843
  222    HA   GLU  28           HA       GLU  28 -12.836  -8.053   4.303
  223    HB2  GLU  28           HB2      GLU  28 -10.763  -8.838   6.350
  224    HB3  GLU  28           HB3      GLU  28 -12.433  -8.446   6.743
  225    HG2  GLU  28           HG2      GLU  28 -13.210 -10.323   5.416
  226    HG3  GLU  28           HG3      GLU  28 -11.553 -10.692   4.937
  227    H    LEU  29           H        LEU  29 -11.604  -5.851   3.243
  228    HA   LEU  29           HA       LEU  29 -10.909  -4.126   5.530
  229    HB2  LEU  29           HB2      LEU  29 -10.866  -3.124   2.714
  230    HB3  LEU  29           HB3      LEU  29  -9.835  -2.694   4.059
  231    HG   LEU  29           HG       LEU  29  -9.591  -5.011   2.165
  232   HD11  LEU  29          HD11      LEU  29  -7.781  -2.834   3.147
  233   HD12  LEU  29          HD12      LEU  29  -7.218  -4.229   2.215
  234   HD13  LEU  29          HD13      LEU  29  -8.384  -3.104   1.505
  235   HD21  LEU  29          HD21      LEU  29  -9.375  -6.002   4.387
  236   HD22  LEU  29          HD22      LEU  29  -7.840  -5.982   3.501
  237   HD23  LEU  29          HD23      LEU  29  -8.137  -4.806   4.797
  238    HA   PRO  30           HA       PRO  30 -14.907  -2.645   6.182
  239    HB2  PRO  30           HB2      PRO  30 -13.742   0.100   6.111
  240    HB3  PRO  30           HB3      PRO  30 -14.775  -0.655   7.329
  241    HG2  PRO  30           HG2      PRO  30 -12.163  -0.395   7.737
  242    HG3  PRO  30           HG3      PRO  30 -13.027  -1.848   8.265
  243    HD2  PRO  30           HD2      PRO  30 -11.168  -1.474   5.977
  244    HD3  PRO  30           HD3      PRO  30 -11.465  -2.913   6.972
  245    H    ALA  31           H        ALA  31 -16.690  -1.939   5.198
  246    HA   ALA  31           HA       ALA  31 -16.542  -1.472   2.371
  247    HB1  ALA  31           HB1      ALA  31 -18.159  -3.007   3.379
  248    HB2  ALA  31           HB2      ALA  31 -18.938  -1.645   4.186
  249    HB3  ALA  31           HB3      ALA  31 -18.948  -1.750   2.426
  250    H    LEU  32           H        LEU  32 -16.625   0.390   1.328
  251    HA   LEU  32           HA       LEU  32 -17.916   2.713   2.611
  252    HB2  LEU  32           HB2      LEU  32 -15.360   2.493   1.140
  253    HB3  LEU  32           HB3      LEU  32 -16.361   3.914   0.866
  254    HG   LEU  32           HG       LEU  32 -14.583   4.240   2.579
  255   HD11  LEU  32          HD11      LEU  32 -16.481   5.690   2.667
  256   HD12  LEU  32          HD12      LEU  32 -17.444   4.451   3.489
  257   HD13  LEU  32          HD13      LEU  32 -16.084   5.207   4.322
  258   HD21  LEU  32          HD21      LEU  32 -14.509   2.041   3.532
  259   HD22  LEU  32          HD22      LEU  32 -14.923   3.201   4.796
  260   HD23  LEU  32          HD23      LEU  32 -16.178   2.181   4.083
  261    H    ASP  33           H        ASP  33 -19.372   1.018   1.009
  262    HA   ASP  33           HA       ASP  33 -19.870   2.720  -1.280
  263    HB2  ASP  33           HB2      ASP  33 -18.380   0.994  -2.155
  264    HB3  ASP  33           HB3      ASP  33 -19.410  -0.266  -1.488
  265    H    MET  34           H        MET  34 -21.850   2.396  -2.215
  266    HA   MET  34           HA       MET  34 -23.951   1.800  -0.341
  267    HB2  MET  34           HB2      MET  34 -24.161   3.696  -1.849
  268    HB3  MET  34           HB3      MET  34 -24.003   2.646  -3.246
  269    HG2  MET  34           HG2      MET  34 -26.301   3.349  -2.919
  270    HG3  MET  34           HG3      MET  34 -26.137   1.606  -2.731
  271    HE1  MET  34           HE1      MET  34 -28.693   3.237  -1.819
  272    HE2  MET  34           HE2      MET  34 -28.524   1.492  -1.628
  273    HE3  MET  34           HE3      MET  34 -29.020   2.485  -0.258
  274    H    GLY  35           H        GLY  35 -22.973  -0.452  -0.269
  275    HA2  GLY  35           HA3      GLY  35 -24.909  -2.259  -1.246
  276    HA3  GLY  35           HA2      GLY  35 -23.438  -2.411  -2.201
  277    H    GLY  36           H        GLY  36 -23.090  -1.392   1.038
  278    HA2  GLY  36           HA3      GLY  36 -21.909  -2.257   2.790
  279    HA3  GLY  36           HA2      GLY  36 -22.867  -3.709   2.513
  280    H    THR  37           H        THR  37 -20.568  -2.273   0.331
  281    HA   THR  37           HA       THR  37 -18.533  -4.245   0.990
  282    HB   THR  37           HB       THR  37 -18.058  -4.519  -1.476
  283    HG1  THR  37           HG1      THR  37 -19.572  -2.660  -1.908
  284   HG21  THR  37          HG21      THR  37 -19.782  -6.222  -1.854
  285   HG22  THR  37          HG22      THR  37 -20.720  -5.571  -0.510
  286   HG23  THR  37          HG23      THR  37 -19.146  -6.306  -0.211
  287    H    SER  38           H        SER  38 -16.492  -3.512  -0.313
  288    HA   SER  38           HA       SER  38 -16.476  -0.592  -0.520
  289    HB2  SER  38           HB2      SER  38 -14.133  -0.711   0.369
  290    HB3  SER  38           HB3      SER  38 -15.355  -1.215   1.537
  291    HG   SER  38           HG       SER  38 -13.288  -2.601   0.552
  292    H    ASP  39           H        ASP  39 -14.656   0.174  -1.880
  293    HA   ASP  39           HA       ASP  39 -13.917  -1.801  -3.921
  294    HB2  ASP  39           HB2      ASP  39 -14.603   1.130  -4.206
  295    HB3  ASP  39           HB3      ASP  39 -13.702   0.258  -5.441
  296    HA   PRO  40           HA       PRO  40 -10.495  -0.413  -1.139
  297    HB2  PRO  40           HB2      PRO  40  -9.448  -3.076  -1.912
  298    HB3  PRO  40           HB3      PRO  40  -9.651  -2.367  -0.308
  299    HG2  PRO  40           HG2      PRO  40 -11.309  -4.290  -1.213
  300    HG3  PRO  40           HG3      PRO  40 -11.893  -2.972  -0.181
  301    HD2  PRO  40           HD2      PRO  40 -12.155  -3.375  -3.111
  302    HD3  PRO  40           HD3      PRO  40 -13.304  -2.706  -1.934
  303    H    TYR  41           H        TYR  41  -8.625   0.540  -1.598
  304    HA   TYR  41           HA       TYR  41  -7.077  -0.106  -3.928
  305    HB2  TYR  41           HB2      TYR  41  -8.224   1.277  -5.310
  306    HB3  TYR  41           HB3      TYR  41  -9.085   2.049  -4.004
  307    HD1  TYR  41           HD2      TYR  41  -7.306   3.627  -2.557
  308    HD2  TYR  41           HD1      TYR  41  -7.084   2.731  -6.706
  309    HE1  TYR  41           HE2      TYR  41  -6.024   5.688  -2.934
  310    HE2  TYR  41           HE1      TYR  41  -5.801   4.784  -7.093
  311    HH   TYR  41           HH       TYR  41  -5.556   7.035  -5.944
  312    H    VAL  42           H        VAL  42  -4.942   0.530  -3.582
  313    HA   VAL  42           HA       VAL  42  -4.453   1.760  -0.994
  314    HB   VAL  42           HB       VAL  42  -2.028   1.251  -1.493
  315   HG11  VAL  42          HG11      VAL  42  -3.331  -0.055   0.077
  316   HG12  VAL  42          HG12      VAL  42  -3.972  -1.037  -1.241
  317   HG13  VAL  42          HG13      VAL  42  -2.256  -1.108  -0.843
  318   HG21  VAL  42          HG21      VAL  42  -3.250  -0.430  -3.663
  319   HG22  VAL  42          HG22      VAL  42  -2.151   0.933  -3.876
  320   HG23  VAL  42          HG23      VAL  42  -1.583  -0.544  -3.098
  321    H    LYS  43           H        LYS  43  -4.153   3.789  -0.825
  322    HA   LYS  43           HA       LYS  43  -2.864   5.415  -2.847
  323    HB2  LYS  43           HB2      LYS  43  -3.611   5.882   0.052
  324    HB3  LYS  43           HB3      LYS  43  -2.762   7.070  -0.917
  325    HG2  LYS  43           HG2      LYS  43  -4.713   7.115  -2.457
  326    HG3  LYS  43           HG3      LYS  43  -5.560   6.039  -1.324
  327    HD2  LYS  43           HD2      LYS  43  -5.583   7.659   0.371
  328    HD3  LYS  43           HD3      LYS  43  -4.313   8.615  -0.390
  329    HE2  LYS  43           HE2      LYS  43  -7.030   8.242  -1.622
  330    HE3  LYS  43           HE3      LYS  43  -6.671   9.544  -0.492
  331    HZ1  LYS  43           HZ1      LYS  43  -6.453  10.285  -2.768
  332    HZ2  LYS  43           HZ2      LYS  43  -5.308   9.082  -3.095
  333    HZ3  LYS  43           HZ3      LYS  43  -4.944  10.325  -1.999
  334    H    VAL  44           H        VAL  44  -0.646   5.133  -3.119
  335    HA   VAL  44           HA       VAL  44   0.792   4.179  -0.723
  336    HB   VAL  44           HB       VAL  44   1.669   4.148  -3.619
  337   HG11  VAL  44          HG11      VAL  44   3.126   3.168  -1.161
  338   HG12  VAL  44          HG12      VAL  44   3.643   2.925  -2.830
  339   HG13  VAL  44          HG13      VAL  44   3.582   4.553  -2.154
  340   HG21  VAL  44          HG21      VAL  44  -0.015   2.474  -3.052
  341   HG22  VAL  44          HG22      VAL  44   1.549   1.722  -3.368
  342   HG23  VAL  44          HG23      VAL  44   0.984   1.918  -1.710
  343    H    PHE  45           H        PHE  45   1.951   5.583   0.426
  344    HA   PHE  45           HA       PHE  45   2.949   7.978  -0.878
  345    HB2  PHE  45           HB2      PHE  45   0.913   7.927   1.361
  346    HB3  PHE  45           HB3      PHE  45   1.936   9.324   1.056
  347    HD1  PHE  45           HD2      PHE  45  -0.815   7.269  -0.272
  348    HD2  PHE  45           HD1      PHE  45   1.524  10.776  -0.788
  349    HE1  PHE  45           HE2      PHE  45  -2.419   8.096  -1.944
  350    HE2  PHE  45           HE1      PHE  45  -0.077  11.606  -2.453
  351    HZ   PHE  45           HZ       PHE  45  -2.051  10.266  -3.037
  352    H    LEU  46           H        LEU  46   4.035   9.271   0.873
  353    HA   LEU  46           HA       LEU  46   5.602   7.542   2.619
  354    HB2  LEU  46           HB2      LEU  46   6.594   9.502   0.575
  355    HB3  LEU  46           HB3      LEU  46   7.544   9.125   2.002
  356    HG   LEU  46           HG       LEU  46   7.668   6.796   1.339
  357   HD11  LEU  46          HD11      LEU  46   5.999   7.592  -1.004
  358   HD12  LEU  46          HD12      LEU  46   6.825   6.042  -0.811
  359   HD13  LEU  46          HD13      LEU  46   5.540   6.503   0.320
  360   HD21  LEU  46          HD21      LEU  46   8.987   7.068  -0.711
  361   HD22  LEU  46          HD22      LEU  46   8.386   8.722  -0.837
  362   HD23  LEU  46          HD23      LEU  46   9.386   8.250   0.538
  363    H    LEU  47           H        LEU  47   6.604   8.634   4.451
  364    HA   LEU  47           HA       LEU  47   5.195  10.988   5.356
  365    HB2  LEU  47           HB2      LEU  47   5.820   9.604   7.131
  366    HB3  LEU  47           HB3      LEU  47   7.364   9.202   6.405
  367    HG   LEU  47           HG       LEU  47   7.564  11.912   6.899
  368   HD11  LEU  47          HD11      LEU  47   6.194  10.561   9.226
  369   HD12  LEU  47          HD12      LEU  47   6.962  12.148   9.275
  370   HD13  LEU  47          HD13      LEU  47   5.547  11.881   8.254
  371   HD21  LEU  47          HD21      LEU  47   8.503   9.598   8.590
  372   HD22  LEU  47          HD22      LEU  47   9.322  10.254   7.172
  373   HD23  LEU  47          HD23      LEU  47   9.157  11.235   8.628
  374    HA   PRO  48           HA       PRO  48   6.492  14.623   3.759
  375    HB2  PRO  48           HB2      PRO  48   8.714  14.589   5.768
  376    HB3  PRO  48           HB3      PRO  48   7.788  15.972   5.159
  377    HG2  PRO  48           HG2      PRO  48   7.092  14.478   7.392
  378    HG3  PRO  48           HG3      PRO  48   5.971  15.478   6.452
  379    HD2  PRO  48           HD2      PRO  48   5.845  12.674   6.749
  380    HD3  PRO  48           HD3      PRO  48   4.964  13.636   5.542
  381    H    ASP  49           H        ASP  49   8.539  12.056   3.140
  382    HA   ASP  49           HA       ASP  49  10.138  13.580   1.262
  383    HB2  ASP  49           HB2      ASP  49  11.100  11.517   2.101
  384    HB3  ASP  49           HB3      ASP  49   9.647  10.615   1.691
  385    H    LYS  50           H        LYS  50   7.954  10.841   0.796
  386    HA   LYS  50           HA       LYS  50   6.080  10.519  -0.319
  387    HB2  LYS  50           HB2      LYS  50   5.839  13.021   0.857
  388    HB3  LYS  50           HB3      LYS  50   5.348  13.288  -0.815
  389    HG2  LYS  50           HG2      LYS  50   4.189  11.315   1.147
  390    HG3  LYS  50           HG3      LYS  50   3.390  12.707   0.390
  391    HD2  LYS  50           HD2      LYS  50   4.569  10.429  -1.145
  392    HD3  LYS  50           HD3      LYS  50   2.878  10.434  -0.592
  393    HE2  LYS  50           HE2      LYS  50   4.206  12.314  -2.545
  394    HE3  LYS  50           HE3      LYS  50   2.859  11.218  -2.841
  395    HZ1  LYS  50           HZ1      LYS  50   2.779  13.627  -1.094
  396    HZ2  LYS  50           HZ2      LYS  50   1.478  12.582  -1.380
  397    HZ3  LYS  50           HZ3      LYS  50   2.114  13.510  -2.647
  398    H    LYS  51           H        LYS  51   8.254  10.227  -1.809
  399    HA   LYS  51           HA       LYS  51   7.826  11.698  -4.290
  400    HB2  LYS  51           HB2      LYS  51   9.841  10.018  -3.097
  401    HB3  LYS  51           HB3      LYS  51   9.515   9.513  -4.759
  402    HG2  LYS  51           HG2      LYS  51   9.898  11.829  -5.506
  403    HG3  LYS  51           HG3      LYS  51  10.288  12.280  -3.848
  404    HD2  LYS  51           HD2      LYS  51  11.762  10.162  -5.410
  405    HD3  LYS  51           HD3      LYS  51  12.275  11.847  -5.312
  406    HE2  LYS  51           HE2      LYS  51  11.906  10.004  -2.956
  407    HE3  LYS  51           HE3      LYS  51  13.453  10.377  -3.714
  408    HZ1  LYS  51           HZ1      LYS  51  13.235  12.655  -3.081
  409    HZ2  LYS  51           HZ2      LYS  51  12.961  11.703  -1.698
  410    HZ3  LYS  51           HZ3      LYS  51  11.657  12.413  -2.510
  411    H    LYS  52           H        LYS  52   5.517  10.238  -3.416
  412    HA   LYS  52           HA       LYS  52   5.267   8.254  -5.531
  413    HB2  LYS  52           HB2      LYS  52   5.587   7.601  -2.770
  414    HB3  LYS  52           HB3      LYS  52   4.007   7.071  -3.333
  415    HG2  LYS  52           HG2      LYS  52   4.872   5.525  -4.739
  416    HG3  LYS  52           HG3      LYS  52   6.327   6.476  -5.066
  417    HD2  LYS  52           HD2      LYS  52   5.877   5.370  -2.338
  418    HD3  LYS  52           HD3      LYS  52   6.461   4.308  -3.619
  419    HE2  LYS  52           HE2      LYS  52   8.170   5.533  -2.108
  420    HE3  LYS  52           HE3      LYS  52   8.452   5.446  -3.841
  421    HZ1  LYS  52           HZ1      LYS  52   7.311   7.765  -2.395
  422    HZ2  LYS  52           HZ2      LYS  52   7.622   7.693  -4.059
  423    HZ3  LYS  52           HZ3      LYS  52   8.906   7.639  -2.951
  424    H    LYS  53           H        LYS  53   3.622   9.840  -6.463
  425    HA   LYS  53           HA       LYS  53   1.070   9.375  -5.172
  426    HB2  LYS  53           HB2      LYS  53   1.831  11.218  -6.977
  427    HB3  LYS  53           HB3      LYS  53   1.202   9.992  -8.075
  428    HG2  LYS  53           HG2      LYS  53  -0.901   9.989  -6.722
  429    HG3  LYS  53           HG3      LYS  53  -0.238  11.370  -5.844
  430    HD2  LYS  53           HD2      LYS  53  -1.714  12.174  -7.577
  431    HD3  LYS  53           HD3      LYS  53  -0.050  12.595  -7.988
  432    HE2  LYS  53           HE2      LYS  53  -1.150  11.794  -9.964
  433    HE3  LYS  53           HE3      LYS  53   0.037  10.595  -9.456
  434    HZ1  LYS  53           HZ1      LYS  53  -2.902  10.479  -9.045
  435    HZ2  LYS  53           HZ2      LYS  53  -1.813   9.379  -8.366
  436    HZ3  LYS  53           HZ3      LYS  53  -1.974   9.482 -10.051
  437    H    PHE  54           H        PHE  54   0.789   7.096  -4.948
  438    HA   PHE  54           HA       PHE  54   0.836   5.640  -7.501
  439    HB2  PHE  54           HB2      PHE  54   2.200   4.611  -5.735
  440    HB3  PHE  54           HB3      PHE  54   0.765   4.463  -4.720
  441    HD1  PHE  54           HD1      PHE  54   2.006   3.523  -8.105
  442    HD2  PHE  54           HD2      PHE  54  -0.452   2.497  -4.787
  443    HE1  PHE  54           HE1      PHE  54   1.456   1.381  -9.177
  444    HE2  PHE  54           HE2      PHE  54  -0.996   0.347  -5.848
  445    HZ   PHE  54           HZ       PHE  54  -0.044  -0.212  -8.048
  446    H    GLU  55           H        GLU  55  -0.891   4.017  -7.883
  447    HA   GLU  55           HA       GLU  55  -3.467   4.691  -6.762
  448    HB2  GLU  55           HB2      GLU  55  -3.119   6.467  -8.434
  449    HB3  GLU  55           HB3      GLU  55  -2.776   5.256  -9.659
  450    HG2  GLU  55           HG2      GLU  55  -5.050   4.436  -9.520
  451    HG3  GLU  55           HG3      GLU  55  -5.406   5.588  -8.234
  452    H    THR  56           H        THR  56  -4.025   2.644  -6.319
  453    HA   THR  56           HA       THR  56  -3.497   0.362  -7.905
  454    HB   THR  56           HB       THR  56  -5.891  -0.011  -6.460
  455    HG1  THR  56           HG1      THR  56  -5.733   1.775  -5.294
  456   HG21  THR  56          HG21      THR  56  -4.475  -1.242  -4.881
  457   HG22  THR  56          HG22      THR  56  -3.041  -0.554  -5.644
  458   HG23  THR  56          HG23      THR  56  -4.090  -1.642  -6.556
  459    H    LYS  57           H        LYS  57  -4.972  -0.898  -9.174
  460    HA   LYS  57           HA       LYS  57  -7.129   0.321 -10.540
  461    HB2  LYS  57           HB2      LYS  57  -6.141  -1.721 -11.384
  462    HB3  LYS  57           HB3      LYS  57  -6.510  -2.575  -9.895
  463    HG2  LYS  57           HG2      LYS  57  -8.026  -3.262 -11.627
  464    HG3  LYS  57           HG3      LYS  57  -8.910  -2.363 -10.392
  465    HD2  LYS  57           HD2      LYS  57  -8.791  -0.352 -11.813
  466    HD3  LYS  57           HD3      LYS  57  -7.976  -1.302 -13.057
  467    HE2  LYS  57           HE2      LYS  57 -10.736  -1.841 -11.967
  468    HE3  LYS  57           HE3      LYS  57 -10.380  -1.043 -13.498
  469    HZ1  LYS  57           HZ1      LYS  57  -9.677  -3.842 -12.779
  470    HZ2  LYS  57           HZ2      LYS  57  -9.270  -3.074 -14.235
  471    HZ3  LYS  57           HZ3      LYS  57 -10.897  -3.356 -13.854
  472    H    VAL  58           H        VAL  58  -9.305   0.491  -9.977
  473    HA   VAL  58           HA       VAL  58 -10.022   0.151  -7.242
  474    HB   VAL  58           HB       VAL  58 -10.985   1.978  -8.526
  475   HG11  VAL  58          HG11      VAL  58 -12.342  -0.145 -10.174
  476   HG12  VAL  58          HG12      VAL  58 -12.668   1.587 -10.265
  477   HG13  VAL  58          HG13      VAL  58 -11.082   0.963 -10.721
  478   HG21  VAL  58          HG21      VAL  58 -13.067  -0.028  -7.685
  479   HG22  VAL  58          HG22      VAL  58 -12.255   1.138  -6.638
  480   HG23  VAL  58          HG23      VAL  58 -13.338   1.701  -7.912
  481    H    HIS  59           H        HIS  59 -10.994  -1.485  -6.286
  482    HA   HIS  59           HA       HIS  59 -11.596  -3.858  -7.901
  483    HB2  HIS  59           HB2      HIS  59 -10.824  -3.612  -4.981
  484    HB3  HIS  59           HB3      HIS  59 -11.089  -5.129  -5.854
  485    HD1  HIS  59           HD1      HIS  59  -8.507  -2.654  -5.092
  486    HD2  HIS  59           HD2      HIS  59  -9.140  -5.553  -8.008
  487    HE1  HIS  59           HE1      HIS  59  -6.273  -3.003  -6.205
  488    HE2  HIS  59           HE2      HIS  59  -6.707  -4.657  -8.052
  489    H    ARG  60           H        ARG  60 -13.717  -3.460  -8.339
  490    HA   ARG  60           HA       ARG  60 -15.360  -2.114  -6.493
  491    HB2  ARG  60           HB2      ARG  60 -17.205  -2.681  -8.174
  492    HB3  ARG  60           HB3      ARG  60 -15.879  -1.663  -8.707
  493    HG2  ARG  60           HG2      ARG  60 -16.333  -3.177 -10.462
  494    HG3  ARG  60           HG3      ARG  60 -14.838  -3.712  -9.691
  495    HD2  ARG  60           HD2      ARG  60 -15.926  -5.460  -8.560
  496    HD3  ARG  60           HD3      ARG  60 -17.521  -4.833  -8.971
  497    HE   ARG  60           HE       ARG  60 -16.213  -5.410 -11.366
  498   HH11  ARG  60          HH12      ARG  60 -17.346  -7.118  -8.534
  499   HH12  ARG  60          HH11      ARG  60 -17.737  -8.573  -9.395
  500   HH21  ARG  60          HH22      ARG  60 -16.695  -7.326 -12.518
  501   HH22  ARG  60          HH21      ARG  60 -17.312  -8.713 -11.667
  502    H    LYS  61           H        LYS  61 -16.393  -2.778  -4.870
  503    HA   LYS  61           HA       LYS  61 -18.085  -3.762  -3.722
  504    HB2  LYS  61           HB2      LYS  61 -18.457  -5.576  -6.111
  505    HB3  LYS  61           HB3      LYS  61 -19.599  -5.312  -4.795
  506    HG2  LYS  61           HG2      LYS  61 -18.694  -3.232  -6.771
  507    HG3  LYS  61           HG3      LYS  61 -20.236  -4.091  -6.804
  508    HD2  LYS  61           HD2      LYS  61 -21.051  -2.977  -4.967
  509    HD3  LYS  61           HD3      LYS  61 -19.439  -2.638  -4.330
  510    HE2  LYS  61           HE2      LYS  61 -20.645  -1.370  -6.780
  511    HE3  LYS  61           HE3      LYS  61 -20.571  -0.626  -5.182
  512    HZ1  LYS  61           HZ1      LYS  61 -18.761   0.190  -6.433
  513    HZ2  LYS  61           HZ2      LYS  61 -18.295  -1.347  -6.936
  514    HZ3  LYS  61           HZ3      LYS  61 -18.099  -0.891  -5.313
  515    H    THR  62           H        THR  62 -15.668  -4.503  -2.935
  516    HA   THR  62           HA       THR  62 -16.162  -7.201  -2.056
  517    HB   THR  62           HB       THR  62 -13.988  -8.017  -2.591
  518    HG1  THR  62           HG1      THR  62 -13.382  -5.438  -2.817
  519   HG21  THR  62          HG21      THR  62 -13.909  -8.060  -5.027
  520   HG22  THR  62          HG22      THR  62 -15.053  -6.719  -5.079
  521   HG23  THR  62          HG23      THR  62 -15.555  -8.282  -4.434
  522    H    LEU  63           H        LEU  63 -15.858  -7.053   0.100
  523    HA   LEU  63           HA       LEU  63 -14.049  -5.150   1.260
  524    HB2  LEU  63           HB2      LEU  63 -15.939  -7.142   2.171
  525    HB3  LEU  63           HB3      LEU  63 -14.426  -7.266   3.037
  526    HG   LEU  63           HG       LEU  63 -14.624  -5.014   3.834
  527   HD11  LEU  63          HD11      LEU  63 -16.523  -3.602   3.213
  528   HD12  LEU  63          HD12      LEU  63 -15.506  -4.003   1.829
  529   HD13  LEU  63          HD13      LEU  63 -17.047  -4.830   2.060
  530   HD21  LEU  63          HD21      LEU  63 -17.282  -6.422   4.053
  531   HD22  LEU  63          HD22      LEU  63 -15.873  -6.700   5.080
  532   HD23  LEU  63          HD23      LEU  63 -16.699  -5.140   5.115
  533    H    ASN  64           H        ASN  64 -13.620  -7.815  -0.567
  534    HA   ASN  64           HA       ASN  64 -11.115  -8.595   0.697
  535    HB2  ASN  64           HB2      ASN  64 -13.398 -10.055   1.107
  536    HB3  ASN  64           HB3      ASN  64 -12.719 -10.845  -0.311
  537   HD21  ASN  64          HD21      ASN  64 -10.046 -10.756   0.109
  538   HD22  ASN  64          HD22      ASN  64  -9.667 -11.648   1.542
  539    HA   PRO  65           HA       PRO  65 -10.850  -8.376  -3.876
  540    HB2  PRO  65           HB2      PRO  65  -9.434  -6.155  -4.124
  541    HB3  PRO  65           HB3      PRO  65 -11.142  -6.055  -3.670
  542    HG2  PRO  65           HG2      PRO  65  -8.708  -5.764  -1.967
  543    HG3  PRO  65           HG3      PRO  65 -10.244  -4.899  -1.886
  544    HD2  PRO  65           HD2      PRO  65  -9.507  -7.103  -0.317
  545    HD3  PRO  65           HD3      PRO  65 -11.134  -6.413  -0.476
  546    H    VAL  66           H        VAL  66  -8.826  -8.170  -5.221
  547    HA   VAL  66           HA       VAL  66  -6.418  -8.791  -3.703
  548    HB   VAL  66           HB       VAL  66  -5.526 -10.172  -5.436
  549   HG11  VAL  66          HG11      VAL  66  -8.380 -10.995  -4.875
  550   HG12  VAL  66          HG12      VAL  66  -7.128 -12.058  -5.517
  551   HG13  VAL  66          HG13      VAL  66  -6.955 -11.367  -3.904
  552   HG21  VAL  66          HG21      VAL  66  -6.412  -9.029  -7.400
  553   HG22  VAL  66          HG22      VAL  66  -6.761 -10.755  -7.487
  554   HG23  VAL  66          HG23      VAL  66  -8.034  -9.619  -7.041
  555    H    PHE  67           H        PHE  67  -5.049  -7.287  -3.885
  556    HA   PHE  67           HA       PHE  67  -5.585  -5.030  -5.544
  557    HB2  PHE  67           HB2      PHE  67  -3.422  -5.788  -3.635
  558    HB3  PHE  67           HB3      PHE  67  -3.275  -4.318  -4.594
  559    HD1  PHE  67           HD2      PHE  67  -6.489  -4.091  -4.392
  560    HD2  PHE  67           HD1      PHE  67  -3.271  -4.331  -1.622
  561    HE1  PHE  67           HE2      PHE  67  -7.845  -2.909  -2.717
  562    HE2  PHE  67           HE1      PHE  67  -4.624  -3.153   0.059
  563    HZ   PHE  67           HZ       PHE  67  -6.859  -2.399  -0.472
  564    H    ASN  68           H        ASN  68  -2.950  -7.436  -5.470
  565    HA   ASN  68           HA       ASN  68  -1.195  -7.764  -6.880
  566    HB2  ASN  68           HB2      ASN  68  -1.867  -8.580  -9.100
  567    HB3  ASN  68           HB3      ASN  68  -2.885  -9.232  -7.824
  568   HD21  ASN  68          HD21      ASN  68  -2.747  -7.267 -10.663
  569   HD22  ASN  68          HD22      ASN  68  -4.448  -7.020 -10.831
  570    H    GLU  69           H        GLU  69  -0.719  -5.412  -6.411
  571    HA   GLU  69           HA       GLU  69  -0.658  -3.886  -8.935
  572    HB2  GLU  69           HB2      GLU  69  -1.648  -2.884  -6.287
  573    HB3  GLU  69           HB3      GLU  69  -0.949  -1.786  -7.460
  574    HG2  GLU  69           HG2      GLU  69  -3.466  -3.401  -7.699
  575    HG3  GLU  69           HG3      GLU  69  -3.269  -1.643  -7.669
  576    H    GLN  70           H        GLN  70   1.334  -3.439  -9.404
  577    HA   GLN  70           HA       GLN  70   3.460  -3.544  -7.543
  578    HB2  GLN  70           HB2      GLN  70   3.349  -3.950 -10.147
  579    HB3  GLN  70           HB3      GLN  70   3.668  -2.243 -10.230
  580    HG2  GLN  70           HG2      GLN  70   5.401  -4.348  -8.981
  581    HG3  GLN  70           HG3      GLN  70   5.713  -3.440 -10.462
  582   HE21  GLN  70          HE21      GLN  70   5.628  -3.365  -7.028
  583   HE22  GLN  70          HE22      GLN  70   6.412  -1.842  -6.816
  584    H    PHE  71           H        PHE  71   3.594  -1.950  -6.040
  585    HA   PHE  71           HA       PHE  71   3.551   0.783  -7.082
  586    HB2  PHE  71           HB2      PHE  71   3.749   1.494  -4.697
  587    HB3  PHE  71           HB3      PHE  71   2.288   0.583  -5.041
  588    HD1  PHE  71           HD2      PHE  71   2.131  -1.798  -4.289
  589    HD2  PHE  71           HD1      PHE  71   5.313   0.764  -3.089
  590    HE1  PHE  71           HE2      PHE  71   2.661  -3.329  -2.437
  591    HE2  PHE  71           HE1      PHE  71   5.852  -0.769  -1.242
  592    HZ   PHE  71           HZ       PHE  71   4.489  -2.777  -0.872
  593    H    THR  72           H        THR  72   5.389   0.887  -8.210
  594    HA   THR  72           HA       THR  72   7.998   0.462  -7.285
  595    HB   THR  72           HB       THR  72   7.051   2.810  -8.964
  596    HG1  THR  72           HG1      THR  72   7.102   0.107  -9.486
  597   HG21  THR  72          HG21      THR  72   9.296   2.687  -9.942
  598   HG22  THR  72          HG22      THR  72   9.698   1.357  -8.856
  599   HG23  THR  72          HG23      THR  72   9.374   2.962  -8.201
  600    H    PHE  73           H        PHE  73   9.177   1.403  -5.840
  601    HA   PHE  73           HA       PHE  73   7.961   3.597  -4.368
  602    HB2  PHE  73           HB2      PHE  73   8.137   1.539  -3.054
  603    HB3  PHE  73           HB3      PHE  73   9.860   1.433  -3.422
  604    HD1  PHE  73           HD1      PHE  73  11.446   2.903  -2.380
  605    HD2  PHE  73           HD2      PHE  73   7.299   3.160  -1.518
  606    HE1  PHE  73           HE1      PHE  73  11.939   4.361  -0.471
  607    HE2  PHE  73           HE2      PHE  73   7.783   4.616   0.392
  608    HZ   PHE  73           HZ       PHE  73  10.102   5.222   0.915
  609    H    LYS  74           H        LYS  74   8.948   5.453  -4.691
  610    HA   LYS  74           HA       LYS  74  11.501   5.441  -6.050
  611    HB2  LYS  74           HB2      LYS  74   9.797   7.854  -5.458
  612    HB3  LYS  74           HB3      LYS  74  10.979   7.652  -6.740
  613    HG2  LYS  74           HG2      LYS  74   8.763   5.755  -6.865
  614    HG3  LYS  74           HG3      LYS  74   8.277   7.447  -7.018
  615    HD2  LYS  74           HD2      LYS  74   8.718   6.538  -9.211
  616    HD3  LYS  74           HD3      LYS  74   9.970   7.716  -8.812
  617    HE2  LYS  74           HE2      LYS  74  11.486   5.906  -8.196
  618    HE3  LYS  74           HE3      LYS  74  10.231   4.721  -8.558
  619    HZ1  LYS  74           HZ1      LYS  74  10.236   5.608 -10.871
  620    HZ2  LYS  74           HZ2      LYS  74  11.672   4.832 -10.416
  621    HZ3  LYS  74           HZ3      LYS  74  11.607   6.526 -10.472
  622    H    VAL  75           H        VAL  75  12.194   4.741  -3.600
  623    HA   VAL  75           HA       VAL  75  13.758   7.123  -3.001
  624    HB   VAL  75           HB       VAL  75  12.584   5.515  -0.692
  625   HG11  VAL  75          HG11      VAL  75  14.457   7.874  -0.709
  626   HG12  VAL  75          HG12      VAL  75  13.767   7.102   0.720
  627   HG13  VAL  75          HG13      VAL  75  14.886   6.209  -0.312
  628   HG21  VAL  75          HG21      VAL  75  10.947   7.077  -1.626
  629   HG22  VAL  75          HG22      VAL  75  11.503   7.604  -0.038
  630   HG23  VAL  75          HG23      VAL  75  12.119   8.388  -1.492
  631    HA   PRO  76           HA       PRO  76  16.817   3.775  -3.413
  632    HB2  PRO  76           HB2      PRO  76  18.299   6.201  -2.405
  633    HB3  PRO  76           HB3      PRO  76  18.843   4.959  -3.552
  634    HG2  PRO  76           HG2      PRO  76  17.976   7.129  -4.619
  635    HG3  PRO  76           HG3      PRO  76  17.200   5.599  -5.158
  636    HD2  PRO  76           HD2      PRO  76  16.201   7.572  -3.078
  637    HD3  PRO  76           HD3      PRO  76  15.337   6.926  -4.497
  638    H    TYR  77           H        TYR  77  17.921   2.558  -1.954
  639    HA   TYR  77           HA       TYR  77  16.644   2.389   0.544
  640    HB2  TYR  77           HB2      TYR  77  17.954   0.413   0.914
  641    HB3  TYR  77           HB3      TYR  77  17.436   0.455  -0.778
  642    HD1  TYR  77           HD2      TYR  77  19.293   1.861  -2.268
  643    HD2  TYR  77           HD1      TYR  77  20.070  -0.422   1.234
  644    HE1  TYR  77           HE2      TYR  77  21.629   1.575  -2.978
  645    HE2  TYR  77           HE1      TYR  77  22.403  -0.715   0.535
  646    HH   TYR  77           HH       TYR  77  23.722  -0.680  -1.491
  647    H    SER  78           H        SER  78  19.820   3.605  -0.390
  648    HA   SER  78           HA       SER  78  20.871   4.102   2.147
  649    HB2  SER  78           HB2      SER  78  22.214   4.385   0.147
  650    HB3  SER  78           HB3      SER  78  21.158   5.675  -0.426
  651    HG   SER  78           HG       SER  78  22.368   6.993   0.641
  652    H    GLU  79           H        GLU  79  18.481   5.855   0.272
  653    HA   GLU  79           HA       GLU  79  18.376   8.074   2.134
  654    HB2  GLU  79           HB2      GLU  79  16.919   7.484  -0.451
  655    HB3  GLU  79           HB3      GLU  79  16.635   8.924   0.524
  656    HG2  GLU  79           HG2      GLU  79  18.933   9.624   0.208
  657    HG3  GLU  79           HG3      GLU  79  19.280   8.150  -0.691
  658    H    LEU  80           H        LEU  80  16.943   5.087   1.544
  659    HA   LEU  80           HA       LEU  80  14.306   5.462   2.365
  660    HB2  LEU  80           HB2      LEU  80  14.417   3.417   1.402
  661    HB3  LEU  80           HB3      LEU  80  16.118   3.248   1.782
  662    HG   LEU  80           HG       LEU  80  14.142   2.778   3.991
  663   HD11  LEU  80          HD11      LEU  80  14.766   0.826   1.768
  664   HD12  LEU  80          HD12      LEU  80  13.933   0.435   3.275
  665   HD13  LEU  80          HD13      LEU  80  13.193   1.547   2.121
  666   HD21  LEU  80          HD21      LEU  80  16.526   2.704   4.480
  667   HD22  LEU  80          HD22      LEU  80  15.816   1.096   4.622
  668   HD23  LEU  80          HD23      LEU  80  16.772   1.515   3.200
  669    H    GLY  81           H        GLY  81  17.257   4.887   4.113
  670    HA2  GLY  81           HA3      GLY  81  16.461   4.041   6.557
  671    HA3  GLY  81           HA2      GLY  81  17.774   5.181   6.303
  672    H    GLY  82           H        GLY  82  16.416   7.452   5.516
  673    HA2  GLY  82           HA3      GLY  82  15.550   8.437   8.032
  674    HA3  GLY  82           HA2      GLY  82  15.515   9.310   6.515
  675    H    LYS  83           H        LYS  83  13.682   7.496   5.123
  676    HA   LYS  83           HA       LYS  83  11.397   8.922   6.259
  677    HB2  LYS  83           HB2      LYS  83  11.615   7.657   3.529
  678    HB3  LYS  83           HB3      LYS  83  10.334   8.716   4.099
  679    HG2  LYS  83           HG2      LYS  83  11.536  10.285   3.019
  680    HG3  LYS  83           HG3      LYS  83  12.457  10.307   4.524
  681    HD2  LYS  83           HD2      LYS  83  13.949   8.548   3.489
  682    HD3  LYS  83           HD3      LYS  83  13.124   8.869   1.964
  683    HE2  LYS  83           HE2      LYS  83  14.686  10.861   3.607
  684    HE3  LYS  83           HE3      LYS  83  15.217  10.107   2.107
  685    HZ1  LYS  83           HZ1      LYS  83  13.233  11.181   1.036
  686    HZ2  LYS  83           HZ2      LYS  83  14.432  12.248   1.569
  687    HZ3  LYS  83           HZ3      LYS  83  13.013  12.060   2.473
  688    H    THR  84           H        THR  84   9.315   7.953   6.442
  689    HA   THR  84           HA       THR  84   9.301   5.050   6.476
  690    HB   THR  84           HB       THR  84   9.297   5.497   8.804
  691    HG1  THR  84           HG1      THR  84   6.647   5.201   7.809
  692   HG21  THR  84          HG21      THR  84   7.248   7.661   8.312
  693   HG22  THR  84          HG22      THR  84   8.941   7.913   8.732
  694   HG23  THR  84          HG23      THR  84   7.849   7.152   9.888
  695    H    LEU  85           H        LEU  85   7.962   4.428   4.986
  696    HA   LEU  85           HA       LEU  85   6.037   6.406   3.984
  697    HB2  LEU  85           HB2      LEU  85   5.807   5.044   2.025
  698    HB3  LEU  85           HB3      LEU  85   7.513   5.347   2.331
  699    HG   LEU  85           HG       LEU  85   6.522   2.966   3.611
  700   HD11  LEU  85          HD11      LEU  85   5.134   2.819   1.610
  701   HD12  LEU  85          HD12      LEU  85   6.546   3.102   0.593
  702   HD13  LEU  85          HD13      LEU  85   6.426   1.621   1.544
  703   HD21  LEU  85          HD21      LEU  85   8.818   3.502   3.577
  704   HD22  LEU  85          HD22      LEU  85   8.585   2.080   2.562
  705   HD23  LEU  85          HD23      LEU  85   8.810   3.664   1.819
  706    H    VAL  86           H        VAL  86   3.959   5.978   3.817
  707    HA   VAL  86           HA       VAL  86   2.974   3.518   4.967
  708    HB   VAL  86           HB       VAL  86   1.076   4.499   6.022
  709   HG11  VAL  86          HG11      VAL  86   3.640   5.911   6.840
  710   HG12  VAL  86          HG12      VAL  86   2.182   5.806   7.828
  711   HG13  VAL  86          HG13      VAL  86   3.064   4.340   7.397
  712   HG21  VAL  86          HG21      VAL  86   0.704   6.401   4.521
  713   HG22  VAL  86          HG22      VAL  86   0.777   6.951   6.195
  714   HG23  VAL  86          HG23      VAL  86   2.155   7.201   5.123
  715    H    MET  87           H        MET  87   1.244   2.689   4.021
  716    HA   MET  87           HA       MET  87   0.494   3.973   1.473
  717    HB2  MET  87           HB2      MET  87   0.472   1.010   2.232
  718    HB3  MET  87           HB3      MET  87  -0.069   1.663   0.695
  719    HG2  MET  87           HG2      MET  87   2.142   2.290   0.093
  720    HG3  MET  87           HG3      MET  87   2.744   1.929   1.712
  721    HE1  MET  87           HE1      MET  87   1.014   0.335  -1.467
  722    HE2  MET  87           HE2      MET  87   1.084  -1.378  -1.051
  723    HE3  MET  87           HE3      MET  87   0.074  -0.282  -0.108
  724    H    ALA  88           H        ALA  88  -1.999   3.328   1.116
  725    HA   ALA  88           HA       ALA  88  -3.349   3.323   3.664
  726    HB1  ALA  88           HB1      ALA  88  -3.315   5.729   1.844
  727    HB2  ALA  88           HB2      ALA  88  -4.682   5.410   2.928
  728    HB3  ALA  88           HB3      ALA  88  -3.055   5.667   3.587
  729    H    VAL  89           H        VAL  89  -4.835   1.723   3.204
  730    HA   VAL  89           HA       VAL  89  -5.952   1.599   0.568
  731    HB   VAL  89           HB       VAL  89  -6.922   0.291   3.115
  732   HG11  VAL  89          HG11      VAL  89  -7.972  -0.064   0.304
  733   HG12  VAL  89          HG12      VAL  89  -8.478  -0.974   1.726
  734   HG13  VAL  89          HG13      VAL  89  -8.823   0.753   1.615
  735   HG21  VAL  89          HG21      VAL  89  -6.146  -1.753   2.010
  736   HG22  VAL  89          HG22      VAL  89  -5.604  -0.797   0.630
  737   HG23  VAL  89          HG23      VAL  89  -4.836  -0.587   2.204
  738    H    TYR  90           H        TYR  90  -7.144   2.987  -0.227
  739    HA   TYR  90           HA       TYR  90  -8.956   4.625   1.387
  740    HB2  TYR  90           HB2      TYR  90  -7.230   6.010   0.560
  741    HB3  TYR  90           HB3      TYR  90  -7.157   5.152  -0.967
  742    HD1  TYR  90           HD1      TYR  90  -9.310   7.463   1.006
  743    HD2  TYR  90           HD2      TYR  90  -8.208   6.009  -2.832
  744    HE1  TYR  90           HE1      TYR  90 -10.562   9.297  -0.044
  745    HE2  TYR  90           HE2      TYR  90  -9.464   7.830  -3.893
  746    HH   TYR  90           HH       TYR  90 -10.524  10.536  -2.161
  747    H    ASP  91           H        ASP  91 -11.058   4.662   0.670
  748    HA   ASP  91           HA       ASP  91 -11.547   2.498  -1.224
  749    HB2  ASP  91           HB2      ASP  91 -12.537   2.890   1.229
  750    HB3  ASP  91           HB3      ASP  91 -13.808   3.653   0.262
  751    H    PHE  92           H        PHE  92 -12.385   2.821  -3.166
  752    HA   PHE  92           HA       PHE  92 -13.040   5.519  -3.957
  753    HB2  PHE  92           HB2      PHE  92 -11.904   3.805  -5.469
  754    HB3  PHE  92           HB3      PHE  92 -13.463   2.990  -5.564
  755    HD1  PHE  92           HD2      PHE  92 -11.811   6.255  -6.199
  756    HD2  PHE  92           HD1      PHE  92 -15.039   3.647  -7.139
  757    HE1  PHE  92           HE2      PHE  92 -12.475   7.746  -8.039
  758    HE2  PHE  92           HE1      PHE  92 -15.708   5.133  -8.982
  759    HZ   PHE  92           HZ       PHE  92 -14.404   7.183  -9.443
  760    H    ASP  93           H        ASP  93 -14.896   6.257  -3.094
  761    HA   ASP  93           HA       ASP  93 -16.887   4.343  -2.237
  762    HB2  ASP  93           HB2      ASP  93 -16.282   7.230  -1.759
  763    HB3  ASP  93           HB3      ASP  93 -17.901   6.619  -1.371
  764    H    ARG  94           H        ARG  94 -16.299   6.022  -4.974
  765    HA   ARG  94           HA       ARG  94 -17.373   6.236  -6.931
  766    HB2  ARG  94           HB2      ARG  94 -19.309   4.360  -5.606
  767    HB3  ARG  94           HB3      ARG  94 -19.312   4.748  -7.324
  768    HG2  ARG  94           HG2      ARG  94 -17.160   3.775  -7.626
  769    HG3  ARG  94           HG3      ARG  94 -16.938   3.595  -5.885
  770    HD2  ARG  94           HD2      ARG  94 -17.511   1.472  -6.870
  771    HD3  ARG  94           HD3      ARG  94 -18.815   2.027  -5.825
  772    HE   ARG  94           HE       ARG  94 -18.871   2.162  -8.773
  773   HH11  ARG  94          HH12      ARG  94 -20.452   1.815  -5.664
  774   HH12  ARG  94          HH11      ARG  94 -22.023   1.525  -6.358
  775   HH21  ARG  94          HH22      ARG  94 -20.939   1.807  -9.693
  776   HH22  ARG  94          HH21      ARG  94 -22.300   1.519  -8.642
  777    H    PHE  95           H        PHE  95 -19.418   6.994  -4.176
  778    HA   PHE  95           HA       PHE  95 -20.845   8.959  -5.800
  779    HB2  PHE  95           HB2      PHE  95 -22.138   6.798  -5.843
  780    HB3  PHE  95           HB3      PHE  95 -22.293   6.921  -4.095
  781    HD1  PHE  95           HD2      PHE  95 -23.694   8.679  -3.096
  782    HD2  PHE  95           HD1      PHE  95 -23.459   8.126  -7.309
  783    HE1  PHE  95           HE2      PHE  95 -25.735  10.021  -3.382
  784    HE2  PHE  95           HE1      PHE  95 -25.502   9.466  -7.600
  785    HZ   PHE  95           HZ       PHE  95 -26.642  10.413  -5.635
  786    H    SER  96           H        SER  96 -20.789   7.452  -2.575
  787    HA   SER  96           HA       SER  96 -21.334   9.886  -1.195
  788    HB2  SER  96           HB2      SER  96 -21.856   7.617  -0.286
  789    HB3  SER  96           HB3      SER  96 -20.127   7.313  -0.154
  790    HG   SER  96           HG       SER  96 -20.269   8.195   1.723
  791    H    LYS  97           H        LYS  97 -19.706  10.623   0.536
  792    HA   LYS  97           HA       LYS  97 -17.284  11.297  -0.798
  793    HB2  LYS  97           HB2      LYS  97 -16.681  12.414   1.371
  794    HB3  LYS  97           HB3      LYS  97 -18.161  12.984   0.618
  795    HG2  LYS  97           HG2      LYS  97 -19.476  11.647   2.173
  796    HG3  LYS  97           HG3      LYS  97 -17.989  11.059   2.925
  797    HD2  LYS  97           HD2      LYS  97 -17.396  13.307   3.594
  798    HD3  LYS  97           HD3      LYS  97 -18.803  13.960   2.753
  799    HE2  LYS  97           HE2      LYS  97 -18.875  12.059   5.091
  800    HE3  LYS  97           HE3      LYS  97 -19.162  13.796   5.173
  801    HZ1  LYS  97           HZ1      LYS  97 -21.249  12.660   5.117
  802    HZ2  LYS  97           HZ2      LYS  97 -20.810  11.791   3.730
  803    HZ3  LYS  97           HZ3      LYS  97 -21.051  13.467   3.635
  804    H    HIS  98           H        HIS  98 -15.545  10.206  -0.858
  805    HA   HIS  98           HA       HIS  98 -15.336   7.648   0.301
  806    HB2  HIS  98           HB2      HIS  98 -12.947   7.915  -0.820
  807    HB3  HIS  98           HB3      HIS  98 -14.398   7.657  -1.781
  808    HD1  HIS  98           HD1      HIS  98 -13.139  10.922  -0.289
  809    HD2  HIS  98           HD2      HIS  98 -13.938   9.171  -3.977
  810    HE1  HIS  98           HE1      HIS  98 -12.855  12.755  -1.988
  811    HE2  HIS  98           HE2      HIS  98 -13.085  11.604  -4.215
  812    H    ASP  99           H        ASP  99 -14.774   7.248   2.233
  813    HA   ASP  99           HA       ASP  99 -12.846   8.902   3.672
  814    HB2  ASP  99           HB2      ASP  99 -14.921   8.150   4.808
  815    HB3  ASP  99           HB3      ASP  99 -14.382   6.483   4.629
  816    H    ILE 100           H        ILE 100 -10.686   8.352   3.857
  817    HA   ILE 100           HA       ILE 100  -9.697   5.882   2.839
  818    HB   ILE 100           HB       ILE 100  -8.379   7.667   4.901
  819   HG12  ILE 100          HG12      ILE 100  -8.214   7.820   1.882
  820   HG13  ILE 100          HG13      ILE 100  -9.008   8.990   2.929
  821   HG21  ILE 100          HG21      ILE 100  -6.292   6.731   4.001
  822   HG22  ILE 100          HG22      ILE 100  -7.342   5.489   4.683
  823   HG23  ILE 100          HG23      ILE 100  -7.234   5.689   2.933
  824   HD11  ILE 100          HD11      ILE 100  -6.857   9.535   3.947
  825   HD12  ILE 100          HD12      ILE 100  -6.064   8.368   2.888
  826   HD13  ILE 100          HD13      ILE 100  -6.841   9.796   2.203
  827    H    ILE 101           H        ILE 101  -9.862   3.932   3.797
  828    HA   ILE 101           HA       ILE 101 -10.898   3.774   6.489
  829    HB   ILE 101           HB       ILE 101 -10.465   1.190   5.828
  830   HG12  ILE 101          HG12      ILE 101 -11.045   2.615   3.220
  831   HG13  ILE 101          HG13      ILE 101  -9.517   1.840   3.627
  832   HG21  ILE 101          HG21      ILE 101 -12.552   2.153   6.592
  833   HG22  ILE 101          HG22      ILE 101 -12.814   2.890   5.011
  834   HG23  ILE 101          HG23      ILE 101 -12.825   1.134   5.179
  835   HD11  ILE 101          HD11      ILE 101 -10.683  -0.318   3.774
  836   HD12  ILE 101          HD12      ILE 101 -12.188   0.478   3.316
  837   HD13  ILE 101          HD13      ILE 101 -10.840   0.420   2.181
  838    H    GLY 102           H        GLY 102  -8.399   1.643   5.099
  839    HA2  GLY 102           HA3      GLY 102  -6.280   3.233   5.917
  840    HA3  GLY 102           HA2      GLY 102  -6.590   2.101   7.217
  841    H    GLU 103           H        GLU 103  -4.298   2.276   5.876
  842    HA   GLU 103           HA       GLU 103  -3.498  -0.194   6.074
  843    HB2  GLU 103           HB2      GLU 103  -3.212  -1.129   4.068
  844    HB3  GLU 103           HB3      GLU 103  -4.397   0.006   3.474
  845    HG2  GLU 103           HG2      GLU 103  -2.846   0.662   2.048
  846    HG3  GLU 103           HG3      GLU 103  -2.047   1.411   3.439
  847    H    PHE 104           H        PHE 104  -1.146   0.091   6.069
  848    HA   PHE 104           HA       PHE 104   0.168   1.995   4.797
  849    HB2  PHE 104           HB2      PHE 104   1.115   3.411   6.560
  850    HB3  PHE 104           HB3      PHE 104  -0.617   3.621   6.421
  851    HD1  PHE 104           HD1      PHE 104  -2.099   2.853   8.212
  852    HD2  PHE 104           HD2      PHE 104   2.133   2.568   8.549
  853    HE1  PHE 104           HE1      PHE 104  -2.325   2.444  10.627
  854    HE2  PHE 104           HE2      PHE 104   1.917   2.172  10.967
  855    HZ   PHE 104           HZ       PHE 104  -0.290   2.371  12.046
  856    H    LYS 105           H        LYS 105   1.986   0.731   4.246
  857    HA   LYS 105           HA       LYS 105   3.669   0.454   6.536
  858    HB2  LYS 105           HB2      LYS 105   3.792  -1.767   6.779
  859    HB3  LYS 105           HB3      LYS 105   2.308  -1.816   5.853
  860    HG2  LYS 105           HG2      LYS 105   5.061  -2.107   4.664
  861    HG3  LYS 105           HG3      LYS 105   4.032  -3.453   5.136
  862    HD2  LYS 105           HD2      LYS 105   3.616  -1.464   2.918
  863    HD3  LYS 105           HD3      LYS 105   3.745  -3.217   2.809
  864    HE2  LYS 105           HE2      LYS 105   1.603  -3.498   3.836
  865    HE3  LYS 105           HE3      LYS 105   1.493  -1.773   4.188
  866    HZ1  LYS 105           HZ1      LYS 105   0.218  -2.000   2.294
  867    HZ2  LYS 105           HZ2      LYS 105   1.255  -3.142   1.595
  868    HZ3  LYS 105           HZ3      LYS 105   1.714  -1.517   1.657
  869    H    VAL 106           H        VAL 106   5.336   1.950   5.525
  870    HA   VAL 106           HA       VAL 106   6.969  -0.295   5.726
  871    HB   VAL 106           HB       VAL 106   7.484   1.249   3.177
  872   HG11  VAL 106          HG11      VAL 106   9.562   1.148   4.473
  873   HG12  VAL 106          HG12      VAL 106   9.353  -0.590   4.688
  874   HG13  VAL 106          HG13      VAL 106   9.647   0.070   3.080
  875   HG21  VAL 106          HG21      VAL 106   7.376  -1.721   3.730
  876   HG22  VAL 106          HG22      VAL 106   6.073  -0.781   3.004
  877   HG23  VAL 106          HG23      VAL 106   7.611  -0.952   2.162
  878    HA   PRO 107           HA       PRO 107   8.813   3.335   7.603
  879    HB2  PRO 107           HB2      PRO 107   9.647   2.191   9.901
  880    HB3  PRO 107           HB3      PRO 107   8.070   2.978   9.746
  881    HG2  PRO 107           HG2      PRO 107   8.751   0.106   9.828
  882    HG3  PRO 107           HG3      PRO 107   7.248   0.907  10.314
  883    HD2  PRO 107           HD2      PRO 107   7.713  -0.505   7.925
  884    HD3  PRO 107           HD3      PRO 107   6.331   0.563   8.242
  885    H    MET 108           H        MET 108  10.574   3.515   6.661
  886    HA   MET 108           HA       MET 108  11.800   1.284   5.431
  887    HB2  MET 108           HB2      MET 108  12.395   4.224   5.396
  888    HB3  MET 108           HB3      MET 108  13.273   3.051   4.416
  889    HG2  MET 108           HG2      MET 108  10.820   2.404   3.695
  890    HG3  MET 108           HG3      MET 108  10.509   4.070   4.206
  891    HE1  MET 108           HE1      MET 108  12.714   5.888   3.431
  892    HE2  MET 108           HE2      MET 108  12.402   6.233   1.730
  893    HE3  MET 108           HE3      MET 108  11.059   6.127   2.867
  894    H    ASN 109           H        ASN 109  12.390   3.215   8.107
  895    HA   ASN 109           HA       ASN 109  15.178   2.754   8.404
  896    HB2  ASN 109           HB2      ASN 109  14.097   3.294  10.945
  897    HB3  ASN 109           HB3      ASN 109  14.872   4.436   9.854
  898   HD21  ASN 109          HD21      ASN 109  13.585   5.763   8.529
  899   HD22  ASN 109          HD22      ASN 109  11.916   6.038   8.904
  900    H    THR 110           H        THR 110  12.281   1.027   9.153
  901    HA   THR 110           HA       THR 110  13.731  -0.690  11.051
  902    HB   THR 110           HB       THR 110  11.594  -1.684  11.627
  903    HG1  THR 110           HG1      THR 110  10.730  -0.240   9.366
  904   HG21  THR 110          HG21      THR 110  10.457   0.264  12.573
  905   HG22  THR 110          HG22      THR 110  11.372   1.328  11.506
  906   HG23  THR 110          HG23      THR 110  12.204   0.406  12.758
  907    H    VAL 111           H        VAL 111  12.333  -0.663   7.854
  908    HA   VAL 111           HA       VAL 111  12.710  -3.540   7.628
  909    HB   VAL 111           HB       VAL 111  11.589  -1.714   5.510
  910   HG11  VAL 111          HG11      VAL 111  11.364  -4.690   5.939
  911   HG12  VAL 111          HG12      VAL 111  10.616  -3.773   4.632
  912   HG13  VAL 111          HG13      VAL 111  12.373  -3.893   4.732
  913   HG21  VAL 111          HG21      VAL 111   9.365  -2.393   6.271
  914   HG22  VAL 111          HG22      VAL 111  10.089  -3.274   7.615
  915   HG23  VAL 111          HG23      VAL 111  10.231  -1.519   7.533
  916    H    ASP 112           H        ASP 112  14.678  -4.208   7.071
  917    HA   ASP 112           HA       ASP 112  16.326  -2.573   5.338
  918    HB2  ASP 112           HB2      ASP 112  18.064  -4.205   5.626
  919    HB3  ASP 112           HB3      ASP 112  17.343  -3.900   7.198
  920    H    PHE 113           H        PHE 113  16.053  -2.561   3.231
  921    HA   PHE 113           HA       PHE 113  14.763  -4.856   1.967
  922    HB2  PHE 113           HB2      PHE 113  15.028  -1.974   1.231
  923    HB3  PHE 113           HB3      PHE 113  14.746  -3.165  -0.035
  924    HD1  PHE 113           HD2      PHE 113  12.698  -4.544   0.005
  925    HD2  PHE 113           HD1      PHE 113  13.294  -1.317   2.712
  926    HE1  PHE 113           HE2      PHE 113  10.289  -4.516   0.493
  927    HE2  PHE 113           HE1      PHE 113  10.883  -1.283   3.205
  928    HZ   PHE 113           HZ       PHE 113   9.377  -2.882   2.093
  929    H    GLY 114           H        GLY 114  16.892  -5.929   2.374
  930    HA2  GLY 114           HA3      GLY 114  19.052  -5.290   0.589
  931    HA3  GLY 114           HA2      GLY 114  18.895  -6.748   1.564
  932    H    HIS 115           H        HIS 115  16.730  -7.971   0.769
  933    HA   HIS 115           HA       HIS 115  16.934  -8.206  -2.153
  934    HB2  HIS 115           HB2      HIS 115  16.399 -10.446  -0.189
  935    HB3  HIS 115           HB3      HIS 115  16.442 -10.603  -1.941
  936    HD1  HIS 115           HD1      HIS 115  18.611 -10.385   1.055
  937    HD2  HIS 115           HD2      HIS 115  19.035 -10.472  -3.084
  938    HE1  HIS 115           HE1      HIS 115  21.054 -10.812   0.630
  939    HE2  HIS 115           HE2      HIS 115  21.256 -11.034  -1.870
  940    H    VAL 116           H        VAL 116  14.694 -10.260  -0.674
  941    HA   VAL 116           HA       VAL 116  12.494  -8.416  -1.312
  942    HB   VAL 116           HB       VAL 116  12.555 -10.101  -3.023
  943   HG11  VAL 116          HG11      VAL 116  12.472 -12.172  -0.833
  944   HG12  VAL 116          HG12      VAL 116  12.435 -12.485  -2.568
  945   HG13  VAL 116          HG13      VAL 116  13.873 -11.780  -1.830
  946   HG21  VAL 116          HG21      VAL 116  10.352 -11.126  -2.781
  947   HG22  VAL 116          HG22      VAL 116  10.364 -10.763  -1.055
  948   HG23  VAL 116          HG23      VAL 116  10.336  -9.450  -2.230
  949    H    THR 117           H        THR 117  11.205  -7.934   0.371
  950    HA   THR 117           HA       THR 117  11.251  -9.658   2.732
  951    HB   THR 117           HB       THR 117  10.003  -6.947   2.250
  952    HG1  THR 117           HG1      THR 117  12.376  -7.912   3.391
  953   HG21  THR 117          HG21      THR 117   8.673  -8.218   3.877
  954   HG22  THR 117          HG22      THR 117   9.549  -6.906   4.664
  955   HG23  THR 117          HG23      THR 117  10.133  -8.564   4.805
  956    H    GLU 118           H        GLU 118   9.878 -11.315   2.695
  957    HA   GLU 118           HA       GLU 118   7.297 -10.928   1.315
  958    HB2  GLU 118           HB2      GLU 118   7.832 -13.704   1.723
  959    HB3  GLU 118           HB3      GLU 118   7.654 -12.834   0.209
  960    HG2  GLU 118           HG2      GLU 118   9.728 -13.708  -0.080
  961    HG3  GLU 118           HG3      GLU 118  10.156 -12.173   0.677
  962    H    GLU 119           H        GLU 119   5.686 -10.584   2.669
  963    HA   GLU 119           HA       GLU 119   5.145 -12.517   4.682
  964    HB2  GLU 119           HB2      GLU 119   5.177 -10.971   6.603
  965    HB3  GLU 119           HB3      GLU 119   6.785 -11.326   5.976
  966    HG2  GLU 119           HG2      GLU 119   7.072  -9.207   5.130
  967    HG3  GLU 119           HG3      GLU 119   5.337  -8.898   5.039
  968    H    TRP 120           H        TRP 120   3.238 -12.013   5.847
  969    HA   TRP 120           HA       TRP 120   1.298 -10.737   4.122
  970    HB2  TRP 120           HB2      TRP 120   0.835 -12.013   6.831
  971    HB3  TRP 120           HB3      TRP 120  -0.372 -11.674   5.600
  972    HD1  TRP 120           HD1      TRP 120   0.038 -14.573   6.841
  973    HE1  TRP 120           HE1      TRP 120   0.605 -16.557   5.300
  974    HE3  TRP 120           HE3      TRP 120   1.969 -12.003   2.856
  975    HZ2  TRP 120           HZ2      TRP 120   1.719 -16.975   2.752
  976    HZ3  TRP 120           HZ3      TRP 120   2.749 -13.263   0.909
  977    HH2  TRP 120           HH2      TRP 120   2.637 -15.708   0.855
  978    H    ARG 121           H        ARG 121   1.206  -8.551   4.237
  979    HA   ARG 121           HA       ARG 121   1.684  -7.335   6.873
  980    HB2  ARG 121           HB2      ARG 121   3.251  -6.811   5.009
  981    HB3  ARG 121           HB3      ARG 121   1.904  -6.094   4.130
  982    HG2  ARG 121           HG2      ARG 121   2.807  -4.238   5.100
  983    HG3  ARG 121           HG3      ARG 121   1.646  -4.694   6.342
  984    HD2  ARG 121           HD2      ARG 121   4.620  -5.074   6.315
  985    HD3  ARG 121           HD3      ARG 121   3.635  -4.219   7.493
  986    HE   ARG 121           HE       ARG 121   3.751  -7.153   7.213
  987   HH11  ARG 121          HH12      ARG 121   3.176  -4.287   9.157
  988   HH12  ARG 121          HH11      ARG 121   3.224  -5.159  10.661
  989   HH21  ARG 121          HH22      ARG 121   3.803  -8.277   9.151
  990   HH22  ARG 121          HH21      ARG 121   3.556  -7.443  10.658
  991    H    ASP 122           H        ASP 122   0.318  -5.501   7.502
  992    HA   ASP 122           HA       ASP 122  -2.394  -6.244   6.825
  993    HB2  ASP 122           HB2      ASP 122  -2.778  -4.885   9.035
  994    HB3  ASP 122           HB3      ASP 122  -2.168  -6.531   9.100
  995    H    LEU 123           H        LEU 123  -3.892  -4.842   6.142
  996    HA   LEU 123           HA       LEU 123  -3.205  -2.057   5.609
  997    HB2  LEU 123           HB2      LEU 123  -5.908  -3.415   5.509
  998    HB3  LEU 123           HB3      LEU 123  -5.520  -1.822   4.894
  999    HG   LEU 123           HG       LEU 123  -5.502  -2.972   2.949
 1000   HD11  LEU 123          HD11      LEU 123  -3.246  -3.556   2.248
 1001   HD12  LEU 123          HD12      LEU 123  -3.250  -2.068   3.205
 1002   HD13  LEU 123          HD13      LEU 123  -2.725  -3.585   3.934
 1003   HD21  LEU 123          HD21      LEU 123  -6.125  -5.089   3.974
 1004   HD22  LEU 123          HD22      LEU 123  -4.919  -5.314   2.702
 1005   HD23  LEU 123          HD23      LEU 123  -4.438  -5.380   4.397
 1006    H    GLN 124           H        GLN 124  -3.353  -0.603   7.101
 1007    HA   GLN 124           HA       GLN 124  -4.470  -1.486   9.622
 1008    HB2  GLN 124           HB2      GLN 124  -2.251   0.480   9.138
 1009    HB3  GLN 124           HB3      GLN 124  -2.861  -0.041  10.709
 1010    HG2  GLN 124           HG2      GLN 124  -2.286  -2.339  10.091
 1011    HG3  GLN 124           HG3      GLN 124  -1.536  -1.678   8.632
 1012   HE21  GLN 124          HE21      GLN 124   0.162  -0.229   8.876
 1013   HE22  GLN 124          HE22      GLN 124   1.234  -0.328  10.236
 1014    H    SER 125           H        SER 125  -5.773  -0.123  10.605
 1015    HA   SER 125           HA       SER 125  -7.119   1.772   9.025
 1016    HB2  SER 125           HB2      SER 125  -7.097   1.928  12.033
 1017    HB3  SER 125           HB3      SER 125  -8.438   2.214  10.923
 1018    HG   SER 125           HG       SER 125  -8.930   0.234  11.553
 1019    H    ALA 126           H        ALA 126  -5.681   3.245   8.144
 1020    HA   ALA 126           HA       ALA 126  -4.179   4.897   9.981
 1021    HB1  ALA 126           HB1      ALA 126  -3.237   4.320   7.805
 1022    HB2  ALA 126           HB2      ALA 126  -4.570   5.149   7.001
 1023    HB3  ALA 126           HB3      ALA 126  -3.419   6.066   7.974
 1024    H    GLU 127           H        GLU 127  -4.558   6.889  10.510
 1025    HA   GLU 127           HA       GLU 127  -7.262   7.937  10.049
 1026    HB2  GLU 127           HB2      GLU 127  -5.485   8.469  12.434
 1027    HB3  GLU 127           HB3      GLU 127  -7.191   8.853  12.267
 1028    HG2  GLU 127           HG2      GLU 127  -6.048   6.072  12.390
 1029    HG3  GLU 127           HG3      GLU 127  -6.776   6.936  13.741
 1030    H    LYS 128           H        LYS 128  -6.635   9.212   8.238
 1031    HA   LYS 128           HA       LYS 128  -4.633  11.287   8.849
 1032    HB2  LYS 128           HB2      LYS 128  -4.155   9.681   6.936
 1033    HB3  LYS 128           HB3      LYS 128  -5.504  10.432   6.091
 1034    HG2  LYS 128           HG2      LYS 128  -4.355  12.616   6.283
 1035    HG3  LYS 128           HG3      LYS 128  -2.979  11.789   7.016
 1036    HD2  LYS 128           HD2      LYS 128  -2.481  12.083   4.705
 1037    HD3  LYS 128           HD3      LYS 128  -2.849  10.375   4.947
 1038    HE2  LYS 128           HE2      LYS 128  -3.927  11.141   2.934
 1039    HE3  LYS 128           HE3      LYS 128  -5.156  10.805   4.153
 1040    HZ1  LYS 128           HZ1      LYS 128  -5.337  13.151   4.610
 1041    HZ2  LYS 128           HZ2      LYS 128  -5.548  12.895   2.948
 1042    HZ3  LYS 128           HZ3      LYS 128  -4.079  13.506   3.532
  Start of MODEL   14
    1    H1   GLU   1           H1       GLU   1  -5.342  -2.458  15.168
    2    H2   GLU   1           H2       GLU   1  -6.807  -2.378  16.017
    3    H3   GLU   1           H3       GLU   1  -5.889  -0.974  15.778
    4    HA   GLU   1           HA       GLU   1  -7.852  -1.134  14.302
    5    HB2  GLU   1           HB2      GLU   1  -5.180  -1.256  12.889
    6    HB3  GLU   1           HB3      GLU   1  -6.662  -0.595  12.220
    7    HG2  GLU   1           HG2      GLU   1  -5.309   1.212  12.867
    8    HG3  GLU   1           HG3      GLU   1  -6.620   1.112  14.041
    9    H    LYS   2           H        LYS   2  -8.285  -2.035  11.966
   10    HA   LYS   2           HA       LYS   2  -7.312  -4.578  11.326
   11    HB2  LYS   2           HB2      LYS   2  -9.577  -5.773  11.650
   12    HB3  LYS   2           HB3      LYS   2  -8.509  -5.593  13.029
   13    HG2  LYS   2           HG2      LYS   2 -10.458  -5.000  14.005
   14    HG3  LYS   2           HG3      LYS   2  -9.970  -3.416  13.409
   15    HD2  LYS   2           HD2      LYS   2 -12.326  -3.902  12.921
   16    HD3  LYS   2           HD3      LYS   2 -11.361  -3.691  11.453
   17    HE2  LYS   2           HE2      LYS   2 -11.174  -6.147  11.265
   18    HE3  LYS   2           HE3      LYS   2 -12.199  -6.319  12.688
   19    HZ1  LYS   2           HZ1      LYS   2 -12.984  -5.095  10.098
   20    HZ2  LYS   2           HZ2      LYS   2 -13.975  -5.185  11.471
   21    HZ3  LYS   2           HZ3      LYS   2 -13.478  -6.606  10.687
   22    H    LEU   3           H        LEU   3  -7.060  -3.450   9.460
   23    HA   LEU   3           HA       LEU   3  -9.304  -2.865   7.828
   24    HB2  LEU   3           HB2      LEU   3  -7.122  -1.582   7.842
   25    HB3  LEU   3           HB3      LEU   3  -6.395  -2.970   7.070
   26    HG   LEU   3           HG       LEU   3  -7.140  -0.899   5.675
   27   HD11  LEU   3          HD11      LEU   3  -7.488  -2.303   3.743
   28   HD12  LEU   3          HD12      LEU   3  -6.201  -2.958   4.756
   29   HD13  LEU   3          HD13      LEU   3  -7.804  -3.691   4.784
   30   HD21  LEU   3          HD21      LEU   3  -9.414  -0.890   6.568
   31   HD22  LEU   3          HD22      LEU   3  -9.375  -1.051   4.810
   32   HD23  LEU   3          HD23      LEU   3  -9.698  -2.461   5.818
   33    H    GLY   4           H        GLY   4  -7.747  -5.569   8.884
   34    HA2  GLY   4           HA3      GLY   4  -7.779  -7.766   7.990
   35    HA3  GLY   4           HA2      GLY   4  -8.113  -7.082   6.397
   36    H    LYS   5           H        LYS   5  -6.253  -8.282   5.513
   37    HA   LYS   5           HA       LYS   5  -3.739  -6.956   6.257
   38    HB2  LYS   5           HB2      LYS   5  -3.903  -9.948   5.844
   39    HB3  LYS   5           HB3      LYS   5  -2.489  -9.019   6.297
   40    HG2  LYS   5           HG2      LYS   5  -3.469  -8.496   8.446
   41    HG3  LYS   5           HG3      LYS   5  -4.948  -9.345   7.998
   42    HD2  LYS   5           HD2      LYS   5  -3.619 -10.776   9.406
   43    HD3  LYS   5           HD3      LYS   5  -3.628 -11.433   7.770
   44    HE2  LYS   5           HE2      LYS   5  -1.420 -10.476   7.362
   45    HE3  LYS   5           HE3      LYS   5  -1.418  -9.772   8.980
   46    HZ1  LYS   5           HZ1      LYS   5  -1.513 -12.019   9.905
   47    HZ2  LYS   5           HZ2      LYS   5  -0.140 -11.815   8.934
   48    HZ3  LYS   5           HZ3      LYS   5  -1.473 -12.680   8.344
   49    H    LEU   6           H        LEU   6  -2.060  -7.199   4.675
   50    HA   LEU   6           HA       LEU   6  -3.079  -7.866   2.005
   51    HB2  LEU   6           HB2      LEU   6  -2.880  -5.686   1.452
   52    HB3  LEU   6           HB3      LEU   6  -2.387  -5.353   3.093
   53    HG   LEU   6           HG       LEU   6  -0.226  -6.228   1.322
   54   HD11  LEU   6          HD11      LEU   6  -0.006  -4.215   0.128
   55   HD12  LEU   6          HD12      LEU   6  -1.684  -4.706  -0.093
   56   HD13  LEU   6          HD13      LEU   6  -1.288  -3.412   1.058
   57   HD21  LEU   6          HD21      LEU   6  -0.542  -3.885   3.222
   58   HD22  LEU   6          HD22      LEU   6   0.057  -5.481   3.696
   59   HD23  LEU   6          HD23      LEU   6   0.970  -4.499   2.548
   60    H    GLN   7           H        GLN   7  -1.992  -9.686   1.559
   61    HA   GLN   7           HA       GLN   7   0.649 -10.018   2.817
   62    HB2  GLN   7           HB2      GLN   7  -0.799 -12.273   1.500
   63    HB3  GLN   7           HB3      GLN   7   0.255 -12.295   2.905
   64    HG2  GLN   7           HG2      GLN   7  -1.664 -12.572   4.017
   65    HG3  GLN   7           HG3      GLN   7  -1.774 -10.818   3.863
   66   HE21  GLN   7          HE21      GLN   7  -2.217 -11.180   0.889
   67   HE22  GLN   7          HE22      GLN   7  -3.898 -11.603   0.777
   68    H    TYR   8           H        TYR   8   2.265  -9.314   1.390
   69    HA   TYR   8           HA       TYR   8   2.800 -11.273  -0.463
   70    HB2  TYR   8           HB2      TYR   8   1.259  -9.814  -1.816
   71    HB3  TYR   8           HB3      TYR   8   2.736  -8.935  -2.184
   72    HD1  TYR   8           HD2      TYR   8   2.859 -12.476  -1.353
   73    HD2  TYR   8           HD1      TYR   8   2.677  -9.699  -4.569
   74    HE1  TYR   8           HE2      TYR   8   3.494 -14.260  -2.912
   75    HE2  TYR   8           HE1      TYR   8   3.310 -11.485  -6.146
   76    HH   TYR   8           HH       TYR   8   4.591 -13.743  -5.969
   77    H    SER   9           H        SER   9   4.437  -9.234  -2.210
   78    HA   SER   9           HA       SER   9   6.818  -9.802  -0.634
   79    HB2  SER   9           HB2      SER   9   7.832 -10.917  -2.659
   80    HB3  SER   9           HB3      SER   9   6.573 -11.845  -1.846
   81    HG   SER   9           HG       SER   9   5.976 -10.149  -4.023
   82    H    LEU  10           H        LEU  10   8.195  -8.391  -0.825
   83    HA   LEU  10           HA       LEU  10   7.781  -6.026  -2.479
   84    HB2  LEU  10           HB2      LEU  10   9.236  -6.183   0.159
   85    HB3  LEU  10           HB3      LEU  10   8.654  -4.753  -0.654
   86    HG   LEU  10           HG       LEU  10   7.370  -5.203   1.342
   87   HD11  LEU  10          HD11      LEU  10   6.151  -4.150  -0.445
   88   HD12  LEU  10          HD12      LEU  10   5.772  -5.725  -1.148
   89   HD13  LEU  10          HD13      LEU  10   5.092  -5.281   0.422
   90   HD21  LEU  10          HD21      LEU  10   5.937  -7.121   1.601
   91   HD22  LEU  10          HD22      LEU  10   6.534  -7.785   0.076
   92   HD23  LEU  10          HD23      LEU  10   7.624  -7.624   1.455
   93    H    ASP  11           H        ASP  11   9.503  -5.237  -3.583
   94    HA   ASP  11           HA       ASP  11  12.105  -6.589  -3.282
   95    HB2  ASP  11           HB2      ASP  11  10.461  -7.158  -5.344
   96    HB3  ASP  11           HB3      ASP  11  11.260  -5.739  -6.007
   97    H    TYR  12           H        TYR  12  13.855  -5.304  -4.400
   98    HA   TYR  12           HA       TYR  12  13.326  -2.488  -4.955
   99    HB2  TYR  12           HB2      TYR  12  13.952  -1.957  -2.843
  100    HB3  TYR  12           HB3      TYR  12  14.748  -3.498  -2.575
  101    HD1  TYR  12           HD2      TYR  12  15.172  -0.169  -4.145
  102    HD2  TYR  12           HD1      TYR  12  17.098  -3.652  -2.653
  103    HE1  TYR  12           HE2      TYR  12  17.351   0.942  -4.385
  104    HE2  TYR  12           HE1      TYR  12  19.277  -2.555  -2.896
  105    HH   TYR  12           HH       TYR  12  19.576   0.827  -3.673
  106    H    ASP  13           H        ASP  13  14.192  -2.053  -6.798
  107    HA   ASP  13           HA       ASP  13  16.368  -3.770  -7.776
  108    HB2  ASP  13           HB2      ASP  13  14.496  -3.238  -9.339
  109    HB3  ASP  13           HB3      ASP  13  14.925  -1.534  -9.232
  110    H    PHE  14           H        PHE  14  18.469  -3.017  -7.909
  111    HA   PHE  14           HA       PHE  14  18.757  -0.702  -6.191
  112    HB2  PHE  14           HB2      PHE  14  21.057  -1.455  -5.872
  113    HB3  PHE  14           HB3      PHE  14  19.920  -2.761  -5.571
  114    HD1  PHE  14           HD1      PHE  14  19.650  -4.569  -7.262
  115    HD2  PHE  14           HD2      PHE  14  22.700  -1.617  -7.568
  116    HE1  PHE  14           HE1      PHE  14  20.872  -5.995  -8.849
  117    HE2  PHE  14           HE2      PHE  14  23.921  -3.039  -9.156
  118    HZ   PHE  14           HZ       PHE  14  23.001  -5.226  -9.808
  119    H    GLN  15           H        GLN  15  19.366  -1.517  -9.586
  120    HA   GLN  15           HA       GLN  15  21.111   0.809  -9.682
  121    HB2  GLN  15           HB2      GLN  15  21.470   0.143 -12.039
  122    HB3  GLN  15           HB3      GLN  15  21.927  -1.087 -10.882
  123    HG2  GLN  15           HG2      GLN  15  20.872  -2.240 -12.627
  124    HG3  GLN  15           HG3      GLN  15  19.668  -2.155 -11.346
  125   HE21  GLN  15          HE21      GLN  15  17.789  -1.022 -11.682
  126   HE22  GLN  15          HE22      GLN  15  17.396  -0.232 -13.176
  127    H    ASN  16           H        ASN  16  17.705   0.418  -9.962
  128    HA   ASN  16           HA       ASN  16  17.878   3.130 -11.020
  129    HB2  ASN  16           HB2      ASN  16  15.316   2.872 -10.854
  130    HB3  ASN  16           HB3      ASN  16  16.160   2.068 -12.165
  131   HD21  ASN  16          HD21      ASN  16  14.457   0.589 -12.354
  132   HD22  ASN  16          HD22      ASN  16  14.269  -0.700 -11.215
  133    H    ASN  17           H        ASN  17  18.005   1.364  -8.302
  134    HA   ASN  17           HA       ASN  17  17.914   1.653  -6.132
  135    HB2  ASN  17           HB2      ASN  17  19.160   3.916  -7.088
  136    HB3  ASN  17           HB3      ASN  17  17.876   4.560  -6.048
  137   HD21  ASN  17          HD21      ASN  17  17.777   2.266  -4.393
  138   HD22  ASN  17          HD22      ASN  17  19.202   2.234  -3.403
  139    H    GLN  18           H        GLN  18  15.575   0.953  -6.720
  140    HA   GLN  18           HA       GLN  18  13.730   3.027  -5.736
  141    HB2  GLN  18           HB2      GLN  18  12.117   2.304  -7.409
  142    HB3  GLN  18           HB3      GLN  18  13.585   2.903  -8.136
  143    HG2  GLN  18           HG2      GLN  18  13.069   1.052  -9.422
  144    HG3  GLN  18           HG3      GLN  18  14.266   0.429  -8.300
  145   HE21  GLN  18          HE21      GLN  18  10.995   1.040  -7.343
  146   HE22  GLN  18          HE22      GLN  18  10.479  -0.594  -7.223
  147    H    LEU  19           H        LEU  19  12.052   2.368  -4.352
  148    HA   LEU  19           HA       LEU  19  12.187  -0.446  -3.605
  149    HB2  LEU  19           HB2      LEU  19  10.709   1.886  -2.525
  150    HB3  LEU  19           HB3      LEU  19  10.256   0.251  -2.058
  151    HG   LEU  19           HG       LEU  19  12.987   1.474  -1.714
  152   HD11  LEU  19          HD11      LEU  19  11.299   2.357  -0.151
  153   HD12  LEU  19          HD12      LEU  19  10.864   0.711   0.311
  154   HD13  LEU  19          HD13      LEU  19  12.467   1.338   0.688
  155   HD21  LEU  19          HD21      LEU  19  13.533  -0.574  -0.488
  156   HD22  LEU  19          HD22      LEU  19  11.939  -1.239  -0.852
  157   HD23  LEU  19          HD23      LEU  19  13.090  -0.939  -2.155
  158    H    LEU  20           H        LEU  20  10.654  -1.940  -3.716
  159    HA   LEU  20           HA       LEU  20   8.460  -1.416  -5.620
  160    HB2  LEU  20           HB2      LEU  20  10.807  -2.717  -6.122
  161    HB3  LEU  20           HB3      LEU  20   9.837  -4.043  -5.529
  162    HG   LEU  20           HG       LEU  20   8.767  -2.353  -7.737
  163   HD11  LEU  20          HD11      LEU  20  11.070  -2.900  -8.398
  164   HD12  LEU  20          HD12      LEU  20  10.755  -4.601  -8.056
  165   HD13  LEU  20          HD13      LEU  20   9.889  -3.787  -9.360
  166   HD21  LEU  20          HD21      LEU  20   7.368  -4.007  -6.697
  167   HD22  LEU  20          HD22      LEU  20   7.774  -4.492  -8.343
  168   HD23  LEU  20          HD23      LEU  20   8.591  -5.253  -6.976
  169    H    VAL  21           H        VAL  21   6.503  -1.867  -4.483
  170    HA   VAL  21           HA       VAL  21   6.746  -4.106  -2.593
  171    HB   VAL  21           HB       VAL  21   4.965  -2.948  -1.243
  172   HG11  VAL  21          HG11      VAL  21   7.625  -1.563  -1.514
  173   HG12  VAL  21          HG12      VAL  21   6.545  -1.434  -0.126
  174   HG13  VAL  21          HG13      VAL  21   7.288  -2.984  -0.523
  175   HG21  VAL  21          HG21      VAL  21   5.747  -0.589  -2.918
  176   HG22  VAL  21          HG22      VAL  21   4.166  -1.369  -2.887
  177   HG23  VAL  21          HG23      VAL  21   4.764  -0.532  -1.455
  178    H    GLY  22           H        GLY  22   6.049  -5.600  -3.990
  179    HA2  GLY  22           HA3      GLY  22   3.621  -5.195  -5.535
  180    HA3  GLY  22           HA2      GLY  22   4.814  -6.490  -5.688
  181    H    ILE  23           H        ILE  23   1.992  -5.425  -3.734
  182    HA   ILE  23           HA       ILE  23   2.322  -7.924  -2.309
  183    HB   ILE  23           HB       ILE  23  -0.184  -6.281  -2.154
  184   HG12  ILE  23          HG12      ILE  23   1.825  -4.745  -2.180
  185   HG13  ILE  23          HG13      ILE  23   0.837  -4.665  -0.726
  186   HG21  ILE  23          HG21      ILE  23  -0.034  -6.839   0.228
  187   HG22  ILE  23          HG22      ILE  23  -0.093  -8.270  -0.801
  188   HG23  ILE  23          HG23      ILE  23   1.438  -7.754  -0.097
  189   HD11  ILE  23          HD11      ILE  23   3.406  -6.201  -0.990
  190   HD12  ILE  23          HD12      ILE  23   3.230  -4.614  -0.242
  191   HD13  ILE  23          HD13      ILE  23   2.436  -6.018   0.471
  192    H    ILE  24           H        ILE  24  -0.380  -8.716  -1.956
  193    HA   ILE  24           HA       ILE  24  -1.178  -9.651  -4.631
  194    HB   ILE  24           HB       ILE  24  -1.727 -10.966  -1.957
  195   HG12  ILE  24          HG12      ILE  24  -0.148 -11.932  -4.349
  196   HG13  ILE  24          HG13      ILE  24   0.545 -11.349  -2.839
  197   HG21  ILE  24          HG21      ILE  24  -3.655 -11.161  -3.444
  198   HG22  ILE  24          HG22      ILE  24  -2.615 -11.783  -4.726
  199   HG23  ILE  24          HG23      ILE  24  -2.853 -12.720  -3.251
  200   HD11  ILE  24          HD11      ILE  24  -1.208 -13.779  -3.143
  201   HD12  ILE  24          HD12      ILE  24   0.545 -13.779  -2.940
  202   HD13  ILE  24          HD13      ILE  24  -0.493 -13.196  -1.640
  203    H    GLN  25           H        GLN  25  -2.644  -9.274  -1.455
  204    HA   GLN  25           HA       GLN  25  -4.785  -7.718  -2.551
  205    HB2  GLN  25           HB2      GLN  25  -6.483  -9.372  -1.866
  206    HB3  GLN  25           HB3      GLN  25  -5.477  -9.951  -3.183
  207    HG2  GLN  25           HG2      GLN  25  -5.439 -11.815  -1.940
  208    HG3  GLN  25           HG3      GLN  25  -4.123 -10.976  -1.122
  209   HE21  GLN  25          HE21      GLN  25  -4.643  -9.779   0.760
  210   HE22  GLN  25          HE22      GLN  25  -5.895 -10.332   1.798
  211    H    ALA  26           H        ALA  26  -6.000  -6.846  -1.074
  212    HA   ALA  26           HA       ALA  26  -5.233  -7.212   1.743
  213    HB1  ALA  26           HB1      ALA  26  -6.498  -5.136   2.151
  214    HB2  ALA  26           HB2      ALA  26  -5.211  -4.884   0.972
  215    HB3  ALA  26           HB3      ALA  26  -6.884  -5.039   0.433
  216    H    ALA  27           H        ALA  27  -6.912  -7.768   3.201
  217    HA   ALA  27           HA       ALA  27  -9.232  -8.953   1.845
  218    HB1  ALA  27           HB1      ALA  27  -7.514 -10.630   2.297
  219    HB2  ALA  27           HB2      ALA  27  -7.624 -10.261   4.019
  220    HB3  ALA  27           HB3      ALA  27  -9.011 -10.951   3.172
  221    H    GLU  28           H        GLU  28 -11.178  -8.413   2.659
  222    HA   GLU  28           HA       GLU  28 -12.848  -8.123   4.144
  223    HB2  GLU  28           HB2      GLU  28 -10.811  -9.039   6.177
  224    HB3  GLU  28           HB3      GLU  28 -12.537  -8.856   6.485
  225    HG2  GLU  28           HG2      GLU  28 -13.007 -10.563   4.790
  226    HG3  GLU  28           HG3      GLU  28 -11.277 -10.756   4.517
  227    H    LEU  29           H        LEU  29 -11.550  -5.936   3.321
  228    HA   LEU  29           HA       LEU  29 -11.042  -4.205   5.586
  229    HB2  LEU  29           HB2      LEU  29 -11.604  -2.844   3.070
  230    HB3  LEU  29           HB3      LEU  29 -10.192  -2.760   4.108
  231    HG   LEU  29           HG       LEU  29 -10.690  -4.818   1.946
  232   HD11  LEU  29          HD11      LEU  29  -8.718  -2.555   2.148
  233   HD12  LEU  29          HD12      LEU  29  -8.811  -3.736   0.840
  234   HD13  LEU  29          HD13      LEU  29 -10.140  -2.604   1.102
  235   HD21  LEU  29          HD21      LEU  29  -8.361  -4.465   3.829
  236   HD22  LEU  29          HD22      LEU  29  -9.446  -5.851   3.737
  237   HD23  LEU  29          HD23      LEU  29  -8.350  -5.501   2.398
  238    HA   PRO  30           HA       PRO  30 -15.218  -2.775   6.280
  239    HB2  PRO  30           HB2      PRO  30 -14.117  -0.021   6.309
  240    HB3  PRO  30           HB3      PRO  30 -15.058  -0.873   7.538
  241    HG2  PRO  30           HG2      PRO  30 -12.450  -0.465   7.867
  242    HG3  PRO  30           HG3      PRO  30 -13.204  -1.990   8.370
  243    HD2  PRO  30           HD2      PRO  30 -11.573  -1.394   5.935
  244    HD3  PRO  30           HD3      PRO  30 -11.549  -2.827   6.983
  245    H    ALA  31           H        ALA  31 -16.896  -2.064   5.157
  246    HA   ALA  31           HA       ALA  31 -16.622  -1.447   2.390
  247    HB1  ALA  31           HB1      ALA  31 -18.333  -2.935   3.335
  248    HB2  ALA  31           HB2      ALA  31 -19.083  -1.546   4.124
  249    HB3  ALA  31           HB3      ALA  31 -19.028  -1.638   2.362
  250    H    LEU  32           H        LEU  32 -16.572   0.490   1.416
  251    HA   LEU  32           HA       LEU  32 -17.810   2.807   2.761
  252    HB2  LEU  32           HB2      LEU  32 -15.230   2.519   1.389
  253    HB3  LEU  32           HB3      LEU  32 -16.185   3.941   0.972
  254    HG   LEU  32           HG       LEU  32 -14.543   4.354   2.774
  255   HD11  LEU  32          HD11      LEU  32 -17.464   4.584   3.462
  256   HD12  LEU  32          HD12      LEU  32 -16.176   5.387   4.363
  257   HD13  LEU  32          HD13      LEU  32 -16.444   5.791   2.664
  258   HD21  LEU  32          HD21      LEU  32 -16.219   2.338   4.251
  259   HD22  LEU  32          HD22      LEU  32 -14.504   2.225   3.863
  260   HD23  LEU  32          HD23      LEU  32 -15.063   3.426   5.028
  261    H    ASP  33           H        ASP  33 -19.362   1.280   1.158
  262    HA   ASP  33           HA       ASP  33 -19.826   3.043  -1.079
  263    HB2  ASP  33           HB2      ASP  33 -18.451   1.325  -2.092
  264    HB3  ASP  33           HB3      ASP  33 -19.425   0.055  -1.359
  265    H    MET  34           H        MET  34 -21.869   2.899  -1.903
  266    HA   MET  34           HA       MET  34 -23.870   2.287   0.073
  267    HB2  MET  34           HB2      MET  34 -24.143   3.327  -2.754
  268    HB3  MET  34           HB3      MET  34 -25.472   3.187  -1.613
  269    HG2  MET  34           HG2      MET  34 -24.367   4.776  -0.125
  270    HG3  MET  34           HG3      MET  34 -23.032   4.918  -1.268
  271    HE1  MET  34           HE1      MET  34 -24.796   6.577  -4.357
  272    HE2  MET  34           HE2      MET  34 -23.278   5.958  -3.705
  273    HE3  MET  34           HE3      MET  34 -24.601   4.848  -4.065
  274    H    GLY  35           H        GLY  35 -22.940  -0.003  -0.187
  275    HA2  GLY  35           HA3      GLY  35 -25.116  -1.613  -1.091
  276    HA3  GLY  35           HA2      GLY  35 -23.684  -1.834  -2.098
  277    H    GLY  36           H        GLY  36 -23.149  -0.902   1.113
  278    HA2  GLY  36           HA3      GLY  36 -22.016  -1.858   2.849
  279    HA3  GLY  36           HA2      GLY  36 -23.048  -3.255   2.568
  280    H    THR  37           H        THR  37 -20.736  -1.907   0.368
  281    HA   THR  37           HA       THR  37 -18.726  -3.906   1.017
  282    HB   THR  37           HB       THR  37 -18.281  -4.259  -1.435
  283    HG1  THR  37           HG1      THR  37 -19.725  -2.385  -1.908
  284   HG21  THR  37          HG21      THR  37 -20.024  -5.933  -1.774
  285   HG22  THR  37          HG22      THR  37 -20.979  -5.218  -0.476
  286   HG23  THR  37          HG23      THR  37 -19.430  -5.978  -0.115
  287    H    SER  38           H        SER  38 -16.693  -3.168  -0.406
  288    HA   SER  38           HA       SER  38 -16.770  -0.248  -0.593
  289    HB2  SER  38           HB2      SER  38 -14.524  -0.130   0.326
  290    HB3  SER  38           HB3      SER  38 -15.567  -0.988   1.457
  291    HG   SER  38           HG       SER  38 -13.304  -1.798   0.414
  292    H    ASP  39           H        ASP  39 -14.975   0.588  -2.005
  293    HA   ASP  39           HA       ASP  39 -14.258  -1.366  -4.086
  294    HB2  ASP  39           HB2      ASP  39 -14.825   1.603  -4.313
  295    HB3  ASP  39           HB3      ASP  39 -14.012   0.692  -5.578
  296    HA   PRO  40           HA       PRO  40 -10.590  -0.175  -1.420
  297    HB2  PRO  40           HB2      PRO  40  -9.447  -2.650  -2.147
  298    HB3  PRO  40           HB3      PRO  40 -10.221  -2.244  -0.614
  299    HG2  PRO  40           HG2      PRO  40 -11.334  -3.682  -2.971
  300    HG3  PRO  40           HG3      PRO  40 -11.713  -3.859  -1.251
  301    HD2  PRO  40           HD2      PRO  40 -13.358  -2.647  -2.952
  302    HD3  PRO  40           HD3      PRO  40 -13.172  -2.109  -1.268
  303    H    TYR  41           H        TYR  41  -8.703   0.666  -2.046
  304    HA   TYR  41           HA       TYR  41  -7.322  -0.147  -4.371
  305    HB2  TYR  41           HB2      TYR  41  -8.118   1.269  -5.914
  306    HB3  TYR  41           HB3      TYR  41  -9.352   1.751  -4.774
  307    HD1  TYR  41           HD2      TYR  41  -5.741   2.525  -5.275
  308    HD2  TYR  41           HD1      TYR  41  -9.675   4.030  -4.692
  309    HE1  TYR  41           HE2      TYR  41  -4.856   4.817  -5.264
  310    HE2  TYR  41           HE1      TYR  41  -8.803   6.318  -4.679
  311    HH   TYR  41           HH       TYR  41  -6.669   7.446  -4.151
  312    H    VAL  42           H        VAL  42  -5.227   0.336  -4.104
  313    HA   VAL  42           HA       VAL  42  -4.607   1.555  -1.532
  314    HB   VAL  42           HB       VAL  42  -2.788  -0.028  -3.349
  315   HG11  VAL  42          HG11      VAL  42  -2.557   0.767  -0.454
  316   HG12  VAL  42          HG12      VAL  42  -1.458  -0.327  -1.294
  317   HG13  VAL  42          HG13      VAL  42  -1.577   1.361  -1.794
  318   HG21  VAL  42          HG21      VAL  42  -4.377  -0.973  -0.966
  319   HG22  VAL  42          HG22      VAL  42  -4.700  -1.384  -2.652
  320   HG23  VAL  42          HG23      VAL  42  -3.211  -1.931  -1.880
  321    H    LYS  43           H        LYS  43  -3.994   3.551  -1.459
  322    HA   LYS  43           HA       LYS  43  -2.359   4.745  -3.596
  323    HB2  LYS  43           HB2      LYS  43  -3.421   6.013  -1.060
  324    HB3  LYS  43           HB3      LYS  43  -2.639   6.841  -2.396
  325    HG2  LYS  43           HG2      LYS  43  -4.525   6.228  -3.843
  326    HG3  LYS  43           HG3      LYS  43  -5.318   5.484  -2.449
  327    HD2  LYS  43           HD2      LYS  43  -6.197   7.702  -2.727
  328    HD3  LYS  43           HD3      LYS  43  -5.180   7.662  -1.284
  329    HE2  LYS  43           HE2      LYS  43  -4.801   9.687  -2.626
  330    HE3  LYS  43           HE3      LYS  43  -3.355   8.688  -2.491
  331    HZ1  LYS  43           HZ1      LYS  43  -5.168   8.882  -4.830
  332    HZ2  LYS  43           HZ2      LYS  43  -3.904   7.772  -4.707
  333    HZ3  LYS  43           HZ3      LYS  43  -3.568   9.430  -4.733
  334    H    VAL  44           H        VAL  44  -0.154   4.957  -3.282
  335    HA   VAL  44           HA       VAL  44   0.730   4.269  -0.541
  336    HB   VAL  44           HB       VAL  44   2.006   3.328  -3.104
  337   HG11  VAL  44          HG11      VAL  44   2.914   2.920  -0.252
  338   HG12  VAL  44          HG12      VAL  44   3.637   2.185  -1.685
  339   HG13  VAL  44          HG13      VAL  44   3.719   3.932  -1.452
  340   HG21  VAL  44          HG21      VAL  44   1.474   1.109  -2.198
  341   HG22  VAL  44          HG22      VAL  44   0.671   1.877  -0.828
  342   HG23  VAL  44          HG23      VAL  44   0.028   2.087  -2.455
  343    H    PHE  45           H        PHE  45   2.239   5.513   0.408
  344    HA   PHE  45           HA       PHE  45   3.572   7.494  -1.235
  345    HB2  PHE  45           HB2      PHE  45   2.351   8.181   1.436
  346    HB3  PHE  45           HB3      PHE  45   2.944   9.274   0.197
  347    HD1  PHE  45           HD1      PHE  45   1.616   9.413  -1.983
  348    HD2  PHE  45           HD2      PHE  45   0.112   7.645   1.583
  349    HE1  PHE  45           HE1      PHE  45  -0.678   9.688  -2.819
  350    HE2  PHE  45           HE2      PHE  45  -2.187   7.917   0.754
  351    HZ   PHE  45           HZ       PHE  45  -2.581   8.937  -1.451
  352    H    LEU  46           H        LEU  46   5.133   8.554   0.095
  353    HA   LEU  46           HA       LEU  46   6.324   6.975   2.227
  354    HB2  LEU  46           HB2      LEU  46   7.273   6.533  -0.002
  355    HB3  LEU  46           HB3      LEU  46   7.637   8.222  -0.145
  356    HG   LEU  46           HG       LEU  46   9.369   8.063   1.422
  357   HD11  LEU  46          HD11      LEU  46   8.531   5.207   1.879
  358   HD12  LEU  46          HD12      LEU  46   9.888   6.033   2.648
  359   HD13  LEU  46          HD13      LEU  46   8.232   6.534   3.003
  360   HD21  LEU  46          HD21      LEU  46  10.800   6.363   0.336
  361   HD22  LEU  46          HD22      LEU  46   9.366   5.687  -0.447
  362   HD23  LEU  46          HD23      LEU  46   9.893   7.327  -0.828
  363    H    LEU  47           H        LEU  47   7.662   8.348   3.599
  364    HA   LEU  47           HA       LEU  47   6.679  11.086   3.542
  365    HB2  LEU  47           HB2      LEU  47   8.273   9.615   5.630
  366    HB3  LEU  47           HB3      LEU  47   7.764  11.291   5.771
  367    HG   LEU  47           HG       LEU  47   5.924   8.924   5.470
  368   HD11  LEU  47          HD11      LEU  47   6.957   8.972   7.676
  369   HD12  LEU  47          HD12      LEU  47   6.497  10.663   7.872
  370   HD13  LEU  47          HD13      LEU  47   5.254   9.415   7.784
  371   HD21  LEU  47          HD21      LEU  47   4.130  10.535   5.925
  372   HD22  LEU  47          HD22      LEU  47   5.309  11.844   5.914
  373   HD23  LEU  47          HD23      LEU  47   5.002  10.920   4.443
  374    HA   PRO  48           HA       PRO  48   8.704  13.989   1.810
  375    HB2  PRO  48           HB2      PRO  48  11.194  13.445   3.387
  376    HB3  PRO  48           HB3      PRO  48  10.655  14.972   2.664
  377    HG2  PRO  48           HG2      PRO  48   9.983  14.135   5.230
  378    HG3  PRO  48           HG3      PRO  48   9.068  15.321   4.286
  379    HD2  PRO  48           HD2      PRO  48   8.117  12.801   5.140
  380    HD3  PRO  48           HD3      PRO  48   7.372  13.818   3.882
  381    H    ASP  49           H        ASP  49  10.020  10.779   1.488
  382    HA   ASP  49           HA       ASP  49  11.317  11.643  -0.976
  383    HB2  ASP  49           HB2      ASP  49  11.696   9.417   0.671
  384    HB3  ASP  49           HB3      ASP  49  11.025   8.785  -0.835
  385    H    LYS  50           H        LYS  50   8.596   9.513  -0.124
  386    HA   LYS  50           HA       LYS  50   6.656   9.188  -0.942
  387    HB2  LYS  50           HB2      LYS  50   7.232  11.770  -1.794
  388    HB3  LYS  50           HB3      LYS  50   6.446  10.951  -3.152
  389    HG2  LYS  50           HG2      LYS  50   5.407  10.936  -0.310
  390    HG3  LYS  50           HG3      LYS  50   4.802  11.994  -1.611
  391    HD2  LYS  50           HD2      LYS  50   5.011   9.038  -1.834
  392    HD3  LYS  50           HD3      LYS  50   3.582   9.812  -1.110
  393    HE2  LYS  50           HE2      LYS  50   4.623  10.182  -3.920
  394    HE3  LYS  50           HE3      LYS  50   3.125   9.385  -3.442
  395    HZ1  LYS  50           HZ1      LYS  50   2.355  11.533  -2.555
  396    HZ2  LYS  50           HZ2      LYS  50   2.653  11.587  -4.226
  397    HZ3  LYS  50           HZ3      LYS  50   3.764  12.273  -3.147
  398    H    LYS  51           H        LYS  51   7.802   7.316  -1.413
  399    HA   LYS  51           HA       LYS  51   7.949   6.073  -3.814
  400    HB2  LYS  51           HB2      LYS  51   7.702   5.431  -1.012
  401    HB3  LYS  51           HB3      LYS  51   6.571   4.439  -1.923
  402    HG2  LYS  51           HG2      LYS  51   8.440   3.670  -3.336
  403    HG3  LYS  51           HG3      LYS  51   9.546   4.605  -2.330
  404    HD2  LYS  51           HD2      LYS  51   9.637   2.380  -1.529
  405    HD3  LYS  51           HD3      LYS  51   8.682   3.288  -0.361
  406    HE2  LYS  51           HE2      LYS  51   7.394   1.742  -2.589
  407    HE3  LYS  51           HE3      LYS  51   7.843   0.970  -1.071
  408    HZ1  LYS  51           HZ1      LYS  51   5.547   1.672  -1.037
  409    HZ2  LYS  51           HZ2      LYS  51   5.986   3.268  -1.371
  410    HZ3  LYS  51           HZ3      LYS  51   6.433   2.558   0.098
  411    H    LYS  52           H        LYS  52   6.564   6.877  -5.062
  412    HA   LYS  52           HA       LYS  52   3.884   7.525  -4.229
  413    HB2  LYS  52           HB2      LYS  52   3.829   9.040  -6.075
  414    HB3  LYS  52           HB3      LYS  52   5.302   9.310  -5.150
  415    HG2  LYS  52           HG2      LYS  52   5.341   7.586  -7.607
  416    HG3  LYS  52           HG3      LYS  52   5.388   9.337  -7.749
  417    HD2  LYS  52           HD2      LYS  52   7.623   8.989  -7.702
  418    HD3  LYS  52           HD3      LYS  52   7.377   8.969  -5.962
  419    HE2  LYS  52           HE2      LYS  52   8.725   7.101  -7.308
  420    HE3  LYS  52           HE3      LYS  52   7.881   6.720  -5.794
  421    HZ1  LYS  52           HZ1      LYS  52   7.252   5.108  -7.393
  422    HZ2  LYS  52           HZ2      LYS  52   7.032   6.245  -8.624
  423    HZ3  LYS  52           HZ3      LYS  52   5.922   6.159  -7.339
  424    H    LYS  53           H        LYS  53   2.457   6.180  -4.599
  425    HA   LYS  53           HA       LYS  53   2.802   3.918  -6.175
  426    HB2  LYS  53           HB2      LYS  53   1.579   3.616  -4.250
  427    HB3  LYS  53           HB3      LYS  53   0.727   5.136  -4.425
  428    HG2  LYS  53           HG2      LYS  53  -0.973   3.757  -4.863
  429    HG3  LYS  53           HG3      LYS  53  -0.314   3.847  -6.497
  430    HD2  LYS  53           HD2      LYS  53   0.931   1.784  -6.110
  431    HD3  LYS  53           HD3      LYS  53   0.276   1.697  -4.468
  432    HE2  LYS  53           HE2      LYS  53  -1.671   0.876  -5.181
  433    HE3  LYS  53           HE3      LYS  53  -1.766   2.093  -6.457
  434    HZ1  LYS  53           HZ1      LYS  53  -0.268   0.707  -7.801
  435    HZ2  LYS  53           HZ2      LYS  53  -1.707  -0.105  -7.433
  436    HZ3  LYS  53           HZ3      LYS  53  -0.284  -0.485  -6.598
  437    H    PHE  54           H        PHE  54   2.595   3.814  -8.243
  438    HA   PHE  54           HA       PHE  54   0.308   5.070  -9.525
  439    HB2  PHE  54           HB2      PHE  54   2.426   3.123 -10.506
  440    HB3  PHE  54           HB3      PHE  54   1.007   3.535 -11.467
  441    HD1  PHE  54           HD1      PHE  54   0.717   5.807 -12.337
  442    HD2  PHE  54           HD2      PHE  54   4.241   4.663 -10.249
  443    HE1  PHE  54           HE1      PHE  54   1.870   7.805 -13.196
  444    HE2  PHE  54           HE2      PHE  54   5.400   6.655 -11.104
  445    HZ   PHE  54           HZ       PHE  54   4.216   8.230 -12.576
  446    H    GLU  55           H        GLU  55  -1.223   2.757 -10.445
  447    HA   GLU  55           HA       GLU  55  -1.965   2.861  -7.597
  448    HB2  GLU  55           HB2      GLU  55  -2.366   5.061  -8.564
  449    HB3  GLU  55           HB3      GLU  55  -3.299   4.353  -9.874
  450    HG2  GLU  55           HG2      GLU  55  -4.999   3.637  -8.308
  451    HG3  GLU  55           HG3      GLU  55  -4.052   4.276  -6.964
  452    H    THR  56           H        THR  56  -3.676   1.608  -6.994
  453    HA   THR  56           HA       THR  56  -3.926  -0.800  -8.427
  454    HB   THR  56           HB       THR  56  -5.785  -1.102  -6.592
  455    HG1  THR  56           HG1      THR  56  -6.015   1.110  -6.145
  456   HG21  THR  56          HG21      THR  56  -4.093  -1.471  -4.850
  457   HG22  THR  56          HG22      THR  56  -2.908  -0.589  -5.815
  458   HG23  THR  56          HG23      THR  56  -3.562  -2.119  -6.401
  459    H    LYS  57           H        LYS  57  -5.653  -1.687  -9.446
  460    HA   LYS  57           HA       LYS  57  -7.605  -0.038 -10.660
  461    HB2  LYS  57           HB2      LYS  57  -7.594  -3.033 -10.205
  462    HB3  LYS  57           HB3      LYS  57  -8.705  -2.177 -11.270
  463    HG2  LYS  57           HG2      LYS  57  -5.712  -2.327 -11.577
  464    HG3  LYS  57           HG3      LYS  57  -6.912  -3.200 -12.535
  465    HD2  LYS  57           HD2      LYS  57  -7.808  -1.092 -13.363
  466    HD3  LYS  57           HD3      LYS  57  -6.651  -0.199 -12.376
  467    HE2  LYS  57           HE2      LYS  57  -5.921  -0.336 -14.698
  468    HE3  LYS  57           HE3      LYS  57  -4.808  -1.181 -13.625
  469    HZ1  LYS  57           HZ1      LYS  57  -5.725  -3.270 -14.287
  470    HZ2  LYS  57           HZ2      LYS  57  -5.326  -2.404 -15.690
  471    HZ3  LYS  57           HZ3      LYS  57  -6.943  -2.516 -15.197
  472    H    VAL  58           H        VAL  58  -9.729   0.358 -10.075
  473    HA   VAL  58           HA       VAL  58 -10.249   0.127  -7.266
  474    HB   VAL  58           HB       VAL  58 -12.462   1.180  -7.806
  475   HG11  VAL  58          HG11      VAL  58 -10.554   2.534  -7.173
  476   HG12  VAL  58          HG12      VAL  58 -10.004   2.581  -8.848
  477   HG13  VAL  58          HG13      VAL  58 -11.515   3.367  -8.394
  478   HG21  VAL  58          HG21      VAL  58 -12.774   2.122 -10.059
  479   HG22  VAL  58          HG22      VAL  58 -11.346   1.245 -10.610
  480   HG23  VAL  58          HG23      VAL  58 -12.772   0.359 -10.068
  481    H    HIS  59           H        HIS  59 -11.239  -1.420  -6.259
  482    HA   HIS  59           HA       HIS  59 -12.228  -3.672  -7.851
  483    HB2  HIS  59           HB2      HIS  59 -11.313  -3.459  -4.975
  484    HB3  HIS  59           HB3      HIS  59 -11.947  -4.937  -5.707
  485    HD1  HIS  59           HD1      HIS  59 -10.487  -6.034  -7.624
  486    HD2  HIS  59           HD2      HIS  59  -8.649  -2.929  -5.555
  487    HE1  HIS  59           HE1      HIS  59  -8.052  -6.186  -8.203
  488    HE2  HIS  59           HE2      HIS  59  -7.031  -4.123  -7.199
  489    H    ARG  60           H        ARG  60 -14.314  -3.118  -8.267
  490    HA   ARG  60           HA       ARG  60 -15.836  -1.700  -6.348
  491    HB2  ARG  60           HB2      ARG  60 -17.708  -1.971  -7.978
  492    HB3  ARG  60           HB3      ARG  60 -16.256  -1.248  -8.644
  493    HG2  ARG  60           HG2      ARG  60 -16.835  -2.694 -10.315
  494    HG3  ARG  60           HG3      ARG  60 -15.726  -3.700  -9.385
  495    HD2  ARG  60           HD2      ARG  60 -17.736  -4.605  -8.177
  496    HD3  ARG  60           HD3      ARG  60 -18.734  -3.753  -9.354
  497    HE   ARG  60           HE       ARG  60 -17.702  -5.149 -11.080
  498   HH11  ARG  60          HH12      ARG  60 -17.347  -6.160  -7.746
  499   HH12  ARG  60          HH11      ARG  60 -17.204  -7.852  -8.139
  500   HH21  ARG  60          HH22      ARG  60 -17.498  -7.374 -11.602
  501   HH22  ARG  60          HH21      ARG  60 -17.299  -8.534 -10.323
  502    H    LYS  61           H        LYS  61 -16.758  -2.476  -4.644
  503    HA   LYS  61           HA       LYS  61 -18.428  -3.463  -3.493
  504    HB2  LYS  61           HB2      LYS  61 -19.000  -5.166  -5.921
  505    HB3  LYS  61           HB3      LYS  61 -20.092  -4.779  -4.599
  506    HG2  LYS  61           HG2      LYS  61 -19.009  -2.778  -6.571
  507    HG3  LYS  61           HG3      LYS  61 -20.588  -3.553  -6.684
  508    HD2  LYS  61           HD2      LYS  61 -21.391  -2.451  -4.786
  509    HD3  LYS  61           HD3      LYS  61 -19.768  -2.029  -4.236
  510    HE2  LYS  61           HE2      LYS  61 -20.896  -0.977  -6.812
  511    HE3  LYS  61           HE3      LYS  61 -21.195  -0.173  -5.271
  512    HZ1  LYS  61           HZ1      LYS  61 -18.851   0.146  -4.970
  513    HZ2  LYS  61           HZ2      LYS  61 -19.274   0.737  -6.493
  514    HZ3  LYS  61           HZ3      LYS  61 -18.486  -0.747  -6.355
  515    H    THR  62           H        THR  62 -15.912  -4.320  -2.953
  516    HA   THR  62           HA       THR  62 -16.446  -7.044  -2.204
  517    HB   THR  62           HB       THR  62 -14.534  -8.037  -3.093
  518    HG1  THR  62           HG1      THR  62 -13.516  -5.524  -3.046
  519   HG21  THR  62          HG21      THR  62 -14.471  -7.683  -5.510
  520   HG22  THR  62          HG22      THR  62 -15.394  -6.196  -5.303
  521   HG23  THR  62          HG23      THR  62 -16.126  -7.749  -4.902
  522    H    LEU  63           H        LEU  63 -15.960  -6.970  -0.096
  523    HA   LEU  63           HA       LEU  63 -14.017  -5.089   0.839
  524    HB2  LEU  63           HB2      LEU  63 -15.406  -7.324   2.266
  525    HB3  LEU  63           HB3      LEU  63 -14.239  -6.264   2.991
  526    HG   LEU  63           HG       LEU  63 -16.256  -5.342   3.657
  527   HD11  LEU  63          HD11      LEU  63 -16.597  -3.294   2.390
  528   HD12  LEU  63          HD12      LEU  63 -14.882  -3.640   2.625
  529   HD13  LEU  63          HD13      LEU  63 -15.639  -3.955   1.063
  530   HD21  LEU  63          HD21      LEU  63 -18.222  -5.107   2.222
  531   HD22  LEU  63          HD22      LEU  63 -17.345  -5.881   0.901
  532   HD23  LEU  63          HD23      LEU  63 -17.712  -6.789   2.369
  533    H    ASN  64           H        ASN  64 -13.586  -7.884  -0.822
  534    HA   ASN  64           HA       ASN  64 -10.981  -8.276   0.438
  535    HB2  ASN  64           HB2      ASN  64 -12.849 -10.032   1.095
  536    HB3  ASN  64           HB3      ASN  64 -12.418 -10.726  -0.466
  537   HD21  ASN  64          HD21      ASN  64  -9.679 -10.206  -0.520
  538   HD22  ASN  64          HD22      ASN  64  -8.924 -11.133   0.720
  539    HA   PRO  65           HA       PRO  65 -10.623  -7.958  -4.109
  540    HB2  PRO  65           HB2      PRO  65  -9.164  -5.761  -4.168
  541    HB3  PRO  65           HB3      PRO  65 -10.887  -5.654  -3.769
  542    HG2  PRO  65           HG2      PRO  65  -8.517  -5.627  -1.921
  543    HG3  PRO  65           HG3      PRO  65  -9.955  -4.599  -1.910
  544    HD2  PRO  65           HD2      PRO  65  -9.610  -6.818  -0.335
  545    HD3  PRO  65           HD3      PRO  65 -11.180  -6.114  -0.767
  546    H    VAL  66           H        VAL  66  -8.795  -8.433  -5.407
  547    HA   VAL  66           HA       VAL  66  -6.255  -8.472  -3.949
  548    HB   VAL  66           HB       VAL  66  -5.505 -10.455  -4.767
  549   HG11  VAL  66          HG11      VAL  66  -8.485 -10.896  -4.617
  550   HG12  VAL  66          HG12      VAL  66  -7.264 -12.166  -4.544
  551   HG13  VAL  66          HG13      VAL  66  -7.337 -10.939  -3.279
  552   HG21  VAL  66          HG21      VAL  66  -7.542 -10.382  -7.006
  553   HG22  VAL  66          HG22      VAL  66  -5.812 -10.074  -7.152
  554   HG23  VAL  66          HG23      VAL  66  -6.387 -11.684  -6.720
  555    H    PHE  67           H        PHE  67  -5.009  -6.994  -4.649
  556    HA   PHE  67           HA       PHE  67  -5.495  -5.844  -7.241
  557    HB2  PHE  67           HB2      PHE  67  -3.521  -4.291  -6.399
  558    HB3  PHE  67           HB3      PHE  67  -5.181  -4.089  -5.857
  559    HD1  PHE  67           HD1      PHE  67  -1.861  -5.392  -4.921
  560    HD2  PHE  67           HD2      PHE  67  -5.793  -4.427  -3.619
  561    HE1  PHE  67           HE1      PHE  67  -1.141  -5.615  -2.580
  562    HE2  PHE  67           HE2      PHE  67  -5.080  -4.646  -1.279
  563    HZ   PHE  67           HZ       PHE  67  -2.751  -5.242  -0.759
  564    H    ASN  68           H        ASN  68  -2.755  -7.429  -5.644
  565    HA   ASN  68           HA       ASN  68  -0.738  -8.154  -6.377
  566    HB2  ASN  68           HB2      ASN  68  -2.527  -8.896  -8.674
  567    HB3  ASN  68           HB3      ASN  68  -0.800  -9.250  -8.702
  568   HD21  ASN  68          HD21      ASN  68   0.044 -10.744  -7.250
  569   HD22  ASN  68          HD22      ASN  68  -0.964 -11.881  -6.422
  570    H    GLU  69           H        GLU  69  -0.045  -5.954  -6.321
  571    HA   GLU  69           HA       GLU  69   1.182  -5.168  -8.739
  572    HB2  GLU  69           HB2      GLU  69   0.172  -2.902  -8.969
  573    HB3  GLU  69           HB3      GLU  69  -0.909  -4.221  -9.379
  574    HG2  GLU  69           HG2      GLU  69  -1.796  -3.903  -6.978
  575    HG3  GLU  69           HG3      GLU  69  -0.965  -2.338  -7.079
  576    H    GLN  70           H        GLN  70   3.018  -4.473  -8.245
  577    HA   GLN  70           HA       GLN  70   3.836  -3.721  -5.691
  578    HB2  GLN  70           HB2      GLN  70   5.968  -3.428  -6.681
  579    HB3  GLN  70           HB3      GLN  70   5.204  -4.746  -7.539
  580    HG2  GLN  70           HG2      GLN  70   5.842  -3.684  -9.390
  581    HG3  GLN  70           HG3      GLN  70   4.486  -2.598  -9.067
  582   HE21  GLN  70          HE21      GLN  70   5.928  -1.707  -6.596
  583   HE22  GLN  70          HE22      GLN  70   7.103  -0.563  -7.164
  584    H    PHE  71           H        PHE  71   3.854  -1.820  -4.705
  585    HA   PHE  71           HA       PHE  71   2.989   0.500  -6.264
  586    HB2  PHE  71           HB2      PHE  71   3.439   0.529  -3.296
  587    HB3  PHE  71           HB3      PHE  71   2.240   1.389  -4.255
  588    HD1  PHE  71           HD1      PHE  71   0.653  -0.408  -5.595
  589    HD2  PHE  71           HD2      PHE  71   2.536  -1.017  -1.837
  590    HE1  PHE  71           HE1      PHE  71  -1.021  -2.116  -5.039
  591    HE2  PHE  71           HE2      PHE  71   0.863  -2.727  -1.272
  592    HZ   PHE  71           HZ       PHE  71  -0.950  -3.213  -2.769
  593    H    THR  72           H        THR  72   5.120   0.637  -7.245
  594    HA   THR  72           HA       THR  72   6.848   1.969  -7.589
  595    HB   THR  72           HB       THR  72   5.427   4.295  -6.981
  596    HG1  THR  72           HG1      THR  72   3.940   2.058  -6.920
  597   HG21  THR  72          HG21      THR  72   6.702   3.800  -9.045
  598   HG22  THR  72          HG22      THR  72   5.044   4.297  -9.391
  599   HG23  THR  72          HG23      THR  72   5.489   2.592  -9.472
  600    H    PHE  73           H        PHE  73   8.378   2.890  -7.152
  601    HA   PHE  73           HA       PHE  73   9.440   3.008  -4.586
  602    HB2  PHE  73           HB2      PHE  73  11.411   3.007  -6.278
  603    HB3  PHE  73           HB3      PHE  73  10.373   1.594  -6.123
  604    HD1  PHE  73           HD2      PHE  73   8.735   1.043  -7.926
  605    HD2  PHE  73           HD1      PHE  73  11.348   4.389  -8.314
  606    HE1  PHE  73           HE2      PHE  73   8.217   1.172 -10.322
  607    HE2  PHE  73           HE1      PHE  73  10.829   4.514 -10.711
  608    HZ   PHE  73           HZ       PHE  73   9.255   2.875 -11.719
  609    H    LYS  74           H        LYS  74   8.968   5.787  -4.325
  610    HA   LYS  74           HA       LYS  74  11.281   6.826  -5.773
  611    HB2  LYS  74           HB2      LYS  74   8.964   8.159  -5.476
  612    HB3  LYS  74           HB3      LYS  74   9.822   8.736  -4.060
  613    HG2  LYS  74           HG2      LYS  74  11.091   8.847  -6.772
  614    HG3  LYS  74           HG3      LYS  74   9.960  10.089  -6.246
  615    HD2  LYS  74           HD2      LYS  74  11.936  11.038  -5.602
  616    HD3  LYS  74           HD3      LYS  74  11.520  10.159  -4.132
  617    HE2  LYS  74           HE2      LYS  74  12.969   8.288  -4.917
  618    HE3  LYS  74           HE3      LYS  74  13.458   9.299  -6.279
  619    HZ1  LYS  74           HZ1      LYS  74  14.282  10.946  -4.665
  620    HZ2  LYS  74           HZ2      LYS  74  15.088   9.463  -4.538
  621    HZ3  LYS  74           HZ3      LYS  74  13.896   9.890  -3.397
  622    H    VAL  75           H        VAL  75  12.124   5.081  -4.068
  623    HA   VAL  75           HA       VAL  75  13.766   6.926  -2.641
  624    HB   VAL  75           HB       VAL  75  11.983   6.442  -0.980
  625   HG11  VAL  75          HG11      VAL  75  13.125   3.665  -1.025
  626   HG12  VAL  75          HG12      VAL  75  11.959   4.286   0.145
  627   HG13  VAL  75          HG13      VAL  75  11.511   4.144  -1.554
  628   HG21  VAL  75          HG21      VAL  75  14.156   7.199  -0.276
  629   HG22  VAL  75          HG22      VAL  75  13.510   6.034   0.879
  630   HG23  VAL  75          HG23      VAL  75  14.756   5.540  -0.267
  631    HA   PRO  76           HA       PRO  76  16.759   3.604  -3.585
  632    HB2  PRO  76           HB2      PRO  76  18.213   5.817  -2.136
  633    HB3  PRO  76           HB3      PRO  76  18.807   4.748  -3.426
  634    HG2  PRO  76           HG2      PRO  76  18.095   7.096  -4.187
  635    HG3  PRO  76           HG3      PRO  76  17.317   5.702  -5.016
  636    HD2  PRO  76           HD2      PRO  76  16.229   7.324  -2.691
  637    HD3  PRO  76           HD3      PRO  76  15.460   7.023  -4.272
  638    H    TYR  77           H        TYR  77  17.648   2.180  -2.085
  639    HA   TYR  77           HA       TYR  77  16.133   2.162   0.351
  640    HB2  TYR  77           HB2      TYR  77  16.431  -0.042   0.317
  641    HB3  TYR  77           HB3      TYR  77  17.128   0.204  -1.279
  642    HD1  TYR  77           HD1      TYR  77  19.742   0.513  -1.339
  643    HD2  TYR  77           HD2      TYR  77  17.616  -1.063   1.993
  644    HE1  TYR  77           HE1      TYR  77  21.808  -0.548  -0.524
  645    HE2  TYR  77           HE2      TYR  77  19.673  -2.122   2.817
  646    HH   TYR  77           HH       TYR  77  22.681  -1.318   1.839
  647    H    SER  78           H        SER  78  19.464   2.712  -0.552
  648    HA   SER  78           HA       SER  78  20.594   3.092   1.974
  649    HB2  SER  78           HB2      SER  78  21.976   4.842   0.486
  650    HB3  SER  78           HB3      SER  78  22.185   3.096   0.316
  651    HG   SER  78           HG       SER  78  21.461   4.781  -1.558
  652    H    GLU  79           H        GLU  79  18.622   5.182  -0.029
  653    HA   GLU  79           HA       GLU  79  18.933   7.471   1.717
  654    HB2  GLU  79           HB2      GLU  79  17.315   7.095  -0.808
  655    HB3  GLU  79           HB3      GLU  79  17.339   8.580   0.133
  656    HG2  GLU  79           HG2      GLU  79  19.886   8.505  -0.203
  657    HG3  GLU  79           HG3      GLU  79  19.528   7.345  -1.485
  658    H    LEU  80           H        LEU  80  16.924   4.776   1.349
  659    HA   LEU  80           HA       LEU  80  14.446   5.723   2.244
  660    HB2  LEU  80           HB2      LEU  80  14.724   3.476   1.291
  661    HB3  LEU  80           HB3      LEU  80  15.728   3.012   2.670
  662    HG   LEU  80           HG       LEU  80  13.758   3.268   4.187
  663   HD11  LEU  80          HD11      LEU  80  12.604   4.988   2.872
  664   HD12  LEU  80          HD12      LEU  80  12.318   3.820   1.580
  665   HD13  LEU  80          HD13      LEU  80  11.557   3.596   3.157
  666   HD21  LEU  80          HD21      LEU  80  12.533   1.330   3.364
  667   HD22  LEU  80          HD22      LEU  80  13.268   1.514   1.771
  668   HD23  LEU  80          HD23      LEU  80  14.270   1.096   3.160
  669    H    GLY  81           H        GLY  81  17.380   4.870   3.921
  670    HA2  GLY  81           HA3      GLY  81  16.706   4.534   6.502
  671    HA3  GLY  81           HA2      GLY  81  18.071   5.524   6.017
  672    H    GLY  82           H        GLY  82  16.782   7.786   4.983
  673    HA2  GLY  82           HA3      GLY  82  15.773   9.141   7.288
  674    HA3  GLY  82           HA2      GLY  82  15.813   9.769   5.654
  675    H    LYS  83           H        LYS  83  14.125   7.508   4.638
  676    HA   LYS  83           HA       LYS  83  11.743   9.199   4.969
  677    HB2  LYS  83           HB2      LYS  83  12.184   7.238   2.743
  678    HB3  LYS  83           HB3      LYS  83  11.205   8.699   2.750
  679    HG2  LYS  83           HG2      LYS  83  14.215   8.603   2.822
  680    HG3  LYS  83           HG3      LYS  83  13.225   8.963   1.408
  681    HD2  LYS  83           HD2      LYS  83  12.470  11.006   2.340
  682    HD3  LYS  83           HD3      LYS  83  13.085  10.585   3.940
  683    HE2  LYS  83           HE2      LYS  83  14.543  12.210   2.891
  684    HE3  LYS  83           HE3      LYS  83  15.378  10.670   3.070
  685    HZ1  LYS  83           HZ1      LYS  83  14.237  11.828   0.587
  686    HZ2  LYS  83           HZ2      LYS  83  14.763  10.223   0.695
  687    HZ3  LYS  83           HZ3      LYS  83  15.863  11.497   0.925
  688    H    THR  84           H        THR  84   9.766   8.345   5.536
  689    HA   THR  84           HA       THR  84   9.848   5.519   6.387
  690    HB   THR  84           HB       THR  84   9.443   6.269   8.443
  691    HG1  THR  84           HG1      THR  84   6.978   6.949   7.218
  692   HG21  THR  84          HG21      THR  84  10.279   8.483   7.869
  693   HG22  THR  84          HG22      THR  84   8.937   8.599   9.007
  694   HG23  THR  84          HG23      THR  84   8.677   8.953   7.299
  695    H    LEU  85           H        LEU  85   8.393   4.200   5.525
  696    HA   LEU  85           HA       LEU  85   6.646   5.148   3.474
  697    HB2  LEU  85           HB2      LEU  85   7.068   2.406   4.613
  698    HB3  LEU  85           HB3      LEU  85   5.932   2.733   3.321
  699    HG   LEU  85           HG       LEU  85   7.885   3.681   2.021
  700   HD11  LEU  85          HD11      LEU  85   9.415   2.239   4.188
  701   HD12  LEU  85          HD12      LEU  85  10.104   2.871   2.690
  702   HD13  LEU  85          HD13      LEU  85   9.415   3.978   3.879
  703   HD21  LEU  85          HD21      LEU  85   6.886   1.510   1.535
  704   HD22  LEU  85          HD22      LEU  85   8.636   1.450   1.323
  705   HD23  LEU  85          HD23      LEU  85   7.898   0.754   2.766
  706    H    VAL  86           H        VAL  86   4.622   5.683   3.509
  707    HA   VAL  86           HA       VAL  86   2.839   4.294   5.372
  708    HB   VAL  86           HB       VAL  86   1.275   6.138   5.383
  709   HG11  VAL  86          HG11      VAL  86   4.055   7.042   6.152
  710   HG12  VAL  86          HG12      VAL  86   2.546   7.746   6.735
  711   HG13  VAL  86          HG13      VAL  86   2.959   6.080   7.146
  712   HG21  VAL  86          HG21      VAL  86   3.339   7.670   3.785
  713   HG22  VAL  86          HG22      VAL  86   1.767   7.119   3.200
  714   HG23  VAL  86          HG23      VAL  86   1.857   8.343   4.468
  715    H    MET  87           H        MET  87   1.243   3.222   4.457
  716    HA   MET  87           HA       MET  87   0.698   3.687   1.610
  717    HB2  MET  87           HB2      MET  87   1.874   1.582   1.873
  718    HB3  MET  87           HB3      MET  87   0.803   1.080   3.169
  719    HG2  MET  87           HG2      MET  87  -1.062   1.076   1.519
  720    HG3  MET  87           HG3      MET  87   0.140   1.358   0.257
  721    HE1  MET  87           HE1      MET  87   2.570  -0.371   1.621
  722    HE2  MET  87           HE2      MET  87   2.390  -1.896   0.753
  723    HE3  MET  87           HE3      MET  87   2.249  -0.364  -0.114
  724    H    ALA  88           H        ALA  88  -1.621   3.346   1.024
  725    HA   ALA  88           HA       ALA  88  -3.434   3.460   3.311
  726    HB1  ALA  88           HB1      ALA  88  -3.185   5.726   1.338
  727    HB2  ALA  88           HB2      ALA  88  -4.549   5.522   2.455
  728    HB3  ALA  88           HB3      ALA  88  -2.911   5.795   3.078
  729    H    VAL  89           H        VAL  89  -4.805   1.866   2.748
  730    HA   VAL  89           HA       VAL  89  -5.742   1.588   0.058
  731    HB   VAL  89           HB       VAL  89  -7.370   0.525   2.311
  732   HG11  VAL  89          HG11      VAL  89  -7.994   0.010   0.035
  733   HG12  VAL  89          HG12      VAL  89  -6.377  -0.609  -0.302
  734   HG13  VAL  89          HG13      VAL  89  -7.427  -1.456   0.832
  735   HG21  VAL  89          HG21      VAL  89  -4.649  -0.572   1.623
  736   HG22  VAL  89          HG22      VAL  89  -5.105   0.197   3.144
  737   HG23  VAL  89          HG23      VAL  89  -5.835  -1.341   2.680
  738    H    TYR  90           H        TYR  90  -7.115   2.888  -0.846
  739    HA   TYR  90           HA       TYR  90  -8.706   4.728   0.799
  740    HB2  TYR  90           HB2      TYR  90  -6.668   5.466  -0.749
  741    HB3  TYR  90           HB3      TYR  90  -7.863   5.290  -2.026
  742    HD1  TYR  90           HD1      TYR  90  -6.921   7.208   0.964
  743    HD2  TYR  90           HD2      TYR  90  -9.644   6.849  -2.278
  744    HE1  TYR  90           HE1      TYR  90  -7.779   9.461   1.441
  745    HE2  TYR  90           HE2      TYR  90 -10.509   9.100  -1.816
  746    HH   TYR  90           HH       TYR  90 -10.621  10.714  -0.088
  747    H    ASP  91           H        ASP  91 -10.896   4.817   0.249
  748    HA   ASP  91           HA       ASP  91 -11.639   2.585  -1.475
  749    HB2  ASP  91           HB2      ASP  91 -12.379   3.091   1.035
  750    HB3  ASP  91           HB3      ASP  91 -13.695   3.899   0.168
  751    H    PHE  92           H        PHE  92 -12.657   2.875  -3.340
  752    HA   PHE  92           HA       PHE  92 -13.213   5.582  -4.181
  753    HB2  PHE  92           HB2      PHE  92 -12.333   3.671  -5.678
  754    HB3  PHE  92           HB3      PHE  92 -13.988   3.071  -5.669
  755    HD1  PHE  92           HD2      PHE  92 -11.937   6.048  -6.519
  756    HD2  PHE  92           HD1      PHE  92 -15.564   3.915  -7.150
  757    HE1  PHE  92           HE2      PHE  92 -12.505   7.569  -8.371
  758    HE2  PHE  92           HE1      PHE  92 -16.139   5.429  -9.000
  759    HZ   PHE  92           HZ       PHE  92 -14.566   7.260  -9.626
  760    H    ASP  93           H        ASP  93 -14.888   6.430  -3.083
  761    HA   ASP  93           HA       ASP  93 -17.114   4.738  -2.312
  762    HB2  ASP  93           HB2      ASP  93 -16.246   7.551  -1.676
  763    HB3  ASP  93           HB3      ASP  93 -17.874   6.981  -1.247
  764    H    ARG  94           H        ARG  94 -16.301   6.316  -4.985
  765    HA   ARG  94           HA       ARG  94 -17.311   6.793  -6.926
  766    HB2  ARG  94           HB2      ARG  94 -19.599   5.349  -5.620
  767    HB3  ARG  94           HB3      ARG  94 -19.615   5.872  -7.299
  768    HG2  ARG  94           HG2      ARG  94 -17.546   4.522  -7.658
  769    HG3  ARG  94           HG3      ARG  94 -17.747   3.891  -6.022
  770    HD2  ARG  94           HD2      ARG  94 -19.776   3.669  -8.240
  771    HD3  ARG  94           HD3      ARG  94 -18.669   2.389  -7.742
  772    HE   ARG  94           HE       ARG  94 -19.822   2.608  -5.483
  773   HH11  ARG  94          HH12      ARG  94 -21.452   3.355  -8.510
  774   HH12  ARG  94          HH11      ARG  94 -23.028   2.909  -7.909
  775   HH21  ARG  94          HH22      ARG  94 -21.846   1.998  -4.714
  776   HH22  ARG  94          HH21      ARG  94 -23.253   2.122  -5.738
  777    H    PHE  95           H        PHE  95 -19.089   7.955  -4.119
  778    HA   PHE  95           HA       PHE  95 -20.073  10.201  -5.717
  779    HB2  PHE  95           HB2      PHE  95 -21.775   8.349  -5.831
  780    HB3  PHE  95           HB3      PHE  95 -21.944   8.467  -4.085
  781    HD1  PHE  95           HD1      PHE  95 -22.630  10.072  -7.292
  782    HD2  PHE  95           HD2      PHE  95 -23.106  10.318  -3.071
  783    HE1  PHE  95           HE1      PHE  95 -24.350  11.805  -7.590
  784    HE2  PHE  95           HE2      PHE  95 -24.825  12.052  -3.364
  785    HZ   PHE  95           HZ       PHE  95 -25.449  12.795  -5.624
  786    H    SER  96           H        SER  96 -20.389   8.650  -2.533
  787    HA   SER  96           HA       SER  96 -20.524  11.126  -1.122
  788    HB2  SER  96           HB2      SER  96 -20.250   9.608   0.882
  789    HB3  SER  96           HB3      SER  96 -21.613   9.210  -0.165
  790    HG   SER  96           HG       SER  96 -19.144   7.877   0.139
  791    H    LYS  97           H        LYS  97 -18.885  11.358   0.814
  792    HA   LYS  97           HA       LYS  97 -16.337  11.687  -0.383
  793    HB2  LYS  97           HB2      LYS  97 -17.281  12.117   2.446
  794    HB3  LYS  97           HB3      LYS  97 -15.643  12.466   1.904
  795    HG2  LYS  97           HG2      LYS  97 -16.648  13.961   0.158
  796    HG3  LYS  97           HG3      LYS  97 -18.197  13.741   0.970
  797    HD2  LYS  97           HD2      LYS  97 -15.728  14.786   2.344
  798    HD3  LYS  97           HD3      LYS  97 -16.932  15.826   1.584
  799    HE2  LYS  97           HE2      LYS  97 -18.645  14.708   3.065
  800    HE3  LYS  97           HE3      LYS  97 -17.290  13.989   3.936
  801    HZ1  LYS  97           HZ1      LYS  97 -18.083  16.049   4.968
  802    HZ2  LYS  97           HZ2      LYS  97 -17.716  16.903   3.551
  803    HZ3  LYS  97           HZ3      LYS  97 -16.474  16.188   4.453
  804    H    HIS  98           H        HIS  98 -14.841  10.357  -0.558
  805    HA   HIS  98           HA       HIS  98 -14.930   7.704   0.300
  806    HB2  HIS  98           HB2      HIS  98 -12.416   7.893  -0.568
  807    HB3  HIS  98           HB3      HIS  98 -13.787   7.880  -1.672
  808    HD1  HIS  98           HD1      HIS  98 -11.940  10.624   0.254
  809    HD2  HIS  98           HD2      HIS  98 -13.491   9.816  -3.519
  810    HE1  HIS  98           HE1      HIS  98 -11.520  12.693  -1.108
  811    HE2  HIS  98           HE2      HIS  98 -12.684  12.270  -3.299
  812    H    ASP  99           H        ASP  99 -14.536   6.950   2.169
  813    HA   ASP  99           HA       ASP  99 -12.736   8.249   4.059
  814    HB2  ASP  99           HB2      ASP  99 -14.899   7.432   4.868
  815    HB3  ASP  99           HB3      ASP  99 -14.498   5.805   4.338
  816    H    ILE 100           H        ILE 100 -10.640   7.570   4.420
  817    HA   ILE 100           HA       ILE 100  -9.518   5.406   3.000
  818    HB   ILE 100           HB       ILE 100  -8.562   6.660   5.595
  819   HG12  ILE 100          HG12      ILE 100  -6.851   7.715   3.955
  820   HG13  ILE 100          HG13      ILE 100  -8.037   7.337   2.712
  821   HG21  ILE 100          HG21      ILE 100  -6.373   5.726   5.036
  822   HG22  ILE 100          HG22      ILE 100  -7.588   4.464   5.241
  823   HG23  ILE 100          HG23      ILE 100  -7.074   4.938   3.623
  824   HD11  ILE 100          HD11      ILE 100  -8.491   9.095   5.113
  825   HD12  ILE 100          HD12      ILE 100  -8.233   9.636   3.453
  826   HD13  ILE 100          HD13      ILE 100  -9.682   8.720   3.867
  827    H    ILE 101           H        ILE 101  -9.790   3.327   3.346
  828    HA   ILE 101           HA       ILE 101 -11.340   2.397   5.551
  829    HB   ILE 101           HB       ILE 101 -11.036   0.145   4.541
  830   HG12  ILE 101          HG12      ILE 101  -9.243   1.723   2.741
  831   HG13  ILE 101          HG13      ILE 101  -9.012   0.120   3.427
  832   HG21  ILE 101          HG21      ILE 101 -12.938   1.548   3.989
  833   HG22  ILE 101          HG22      ILE 101 -12.013   2.328   2.705
  834   HG23  ILE 101          HG23      ILE 101 -12.429   0.618   2.579
  835   HD11  ILE 101          HD11      ILE 101 -10.641  -0.810   1.888
  836   HD12  ILE 101          HD12      ILE 101 -10.930   0.790   1.206
  837   HD13  ILE 101          HD13      ILE 101  -9.353   0.022   1.017
  838    H    GLY 102           H        GLY 102  -7.987   2.073   4.500
  839    HA2  GLY 102           HA3      GLY 102  -7.082   1.830   7.188
  840    HA3  GLY 102           HA2      GLY 102  -7.041   0.278   6.358
  841    H    GLU 103           H        GLU 103  -4.696   0.608   6.902
  842    HA   GLU 103           HA       GLU 103  -3.229   1.946   4.846
  843    HB2  GLU 103           HB2      GLU 103  -2.214   3.662   6.089
  844    HB3  GLU 103           HB3      GLU 103  -3.924   3.792   6.463
  845    HG2  GLU 103           HG2      GLU 103  -3.593   2.766   8.600
  846    HG3  GLU 103           HG3      GLU 103  -1.909   2.411   8.214
  847    H    PHE 104           H        PHE 104  -0.869   1.920   5.424
  848    HA   PHE 104           HA       PHE 104  -0.108  -0.469   6.962
  849    HB2  PHE 104           HB2      PHE 104  -0.231  -1.437   4.841
  850    HB3  PHE 104           HB3      PHE 104   0.154   0.061   4.017
  851    HD1  PHE 104           HD2      PHE 104   2.549   0.828   3.954
  852    HD2  PHE 104           HD1      PHE 104   1.415  -3.043   5.305
  853    HE1  PHE 104           HE2      PHE 104   4.837   0.028   3.557
  854    HE2  PHE 104           HE1      PHE 104   3.704  -3.851   4.902
  855    HZ   PHE 104           HZ       PHE 104   5.416  -2.318   4.027
  856    H    LYS 105           H        LYS 105   1.960  -0.227   7.851
  857    HA   LYS 105           HA       LYS 105   3.209   2.390   7.388
  858    HB2  LYS 105           HB2      LYS 105   1.516   2.113   9.408
  859    HB3  LYS 105           HB3      LYS 105   2.893   1.345  10.178
  860    HG2  LYS 105           HG2      LYS 105   2.759   3.671  10.808
  861    HG3  LYS 105           HG3      LYS 105   4.208   3.388   9.841
  862    HD2  LYS 105           HD2      LYS 105   3.017   5.468   9.226
  863    HD3  LYS 105           HD3      LYS 105   3.149   4.323   7.891
  864    HE2  LYS 105           HE2      LYS 105   0.939   5.244   7.874
  865    HE3  LYS 105           HE3      LYS 105   0.832   3.565   8.394
  866    HZ1  LYS 105           HZ1      LYS 105  -0.575   5.010   9.727
  867    HZ2  LYS 105           HZ2      LYS 105   0.767   5.934  10.188
  868    HZ3  LYS 105           HZ3      LYS 105   0.639   4.318  10.681
  869    H    VAL 106           H        VAL 106   5.259   2.006   6.850
  870    HA   VAL 106           HA       VAL 106   6.813   0.276   8.598
  871    HB   VAL 106           HB       VAL 106   6.728  -0.118   5.596
  872   HG11  VAL 106          HG11      VAL 106   8.642  -1.635   5.861
  873   HG12  VAL 106          HG12      VAL 106   9.067   0.025   6.283
  874   HG13  VAL 106          HG13      VAL 106   8.777  -1.162   7.556
  875   HG21  VAL 106          HG21      VAL 106   6.403  -2.478   6.205
  876   HG22  VAL 106          HG22      VAL 106   6.407  -2.030   7.910
  877   HG23  VAL 106          HG23      VAL 106   5.124  -1.449   6.847
  878    HA   PRO 107           HA       PRO 107   9.083   4.129   7.905
  879    HB2  PRO 107           HB2      PRO 107  10.445   3.764  10.276
  880    HB3  PRO 107           HB3      PRO 107   9.008   4.769  10.071
  881    HG2  PRO 107           HG2      PRO 107   9.272   2.030  11.149
  882    HG3  PRO 107           HG3      PRO 107   8.145   3.314  11.616
  883    HD2  PRO 107           HD2      PRO 107   7.418   1.172  10.107
  884    HD3  PRO 107           HD3      PRO 107   6.655   2.767   9.950
  885    H    MET 108           H        MET 108  10.977   4.307   7.104
  886    HA   MET 108           HA       MET 108  12.652   2.308   6.274
  887    HB2  MET 108           HB2      MET 108  14.270   4.110   6.096
  888    HB3  MET 108           HB3      MET 108  12.691   4.544   5.470
  889    HG2  MET 108           HG2      MET 108  14.221   5.702   7.705
  890    HG3  MET 108           HG3      MET 108  13.107   6.432   6.560
  891    HE1  MET 108           HE1      MET 108  11.740   7.545  10.077
  892    HE2  MET 108           HE2      MET 108  13.432   7.265   9.664
  893    HE3  MET 108           HE3      MET 108  12.372   8.097   8.526
  894    H    ASN 109           H        ASN 109  12.565   4.036   9.329
  895    HA   ASN 109           HA       ASN 109  14.918   2.806  10.400
  896    HB2  ASN 109           HB2      ASN 109  12.403   3.517  11.930
  897    HB3  ASN 109           HB3      ASN 109  14.000   3.245  12.627
  898   HD21  ASN 109          HD21      ASN 109  15.269   4.574  10.274
  899   HD22  ASN 109          HD22      ASN 109  15.031   6.269  10.521
  900    H    THR 110           H        THR 110  11.918   1.614   9.627
  901    HA   THR 110           HA       THR 110  12.143  -0.993  10.895
  902    HB   THR 110           HB       THR 110   9.830   0.158   9.314
  903    HG1  THR 110           HG1      THR 110  10.688   0.585  11.825
  904   HG21  THR 110          HG21      THR 110   8.534  -1.689  10.273
  905   HG22  THR 110          HG22      THR 110   9.989  -2.318  11.047
  906   HG23  THR 110          HG23      THR 110   9.861  -2.305   9.288
  907    H    VAL 111           H        VAL 111  13.872  -0.034   8.689
  908    HA   VAL 111           HA       VAL 111  12.820   0.122   6.236
  909    HB   VAL 111           HB       VAL 111  14.960   1.054   6.750
  910   HG11  VAL 111          HG11      VAL 111  15.736  -0.665   8.300
  911   HG12  VAL 111          HG12      VAL 111  16.008  -1.767   6.950
  912   HG13  VAL 111          HG13      VAL 111  16.965  -0.290   7.092
  913   HG21  VAL 111          HG21      VAL 111  14.640   0.594   4.391
  914   HG22  VAL 111          HG22      VAL 111  16.333   0.360   4.829
  915   HG23  VAL 111          HG23      VAL 111  15.280  -1.036   4.597
  916    H    ASP 112           H        ASP 112  12.643  -0.817   4.546
  917    HA   ASP 112           HA       ASP 112  11.729  -3.426   4.439
  918    HB2  ASP 112           HB2      ASP 112  12.268  -1.525   2.152
  919    HB3  ASP 112           HB3      ASP 112  11.183  -2.910   2.126
  920    H    PHE 113           H        PHE 113  12.328  -5.125   3.413
  921    HA   PHE 113           HA       PHE 113  15.133  -5.689   3.427
  922    HB2  PHE 113           HB2      PHE 113  12.814  -7.552   2.891
  923    HB3  PHE 113           HB3      PHE 113  14.464  -8.016   3.297
  924    HD1  PHE 113           HD1      PHE 113  15.358  -7.438   5.574
  925    HD2  PHE 113           HD2      PHE 113  11.241  -7.086   4.565
  926    HE1  PHE 113           HE1      PHE 113  14.776  -7.409   7.964
  927    HE2  PHE 113           HE2      PHE 113  10.651  -7.056   6.953
  928    HZ   PHE 113           HZ       PHE 113  12.421  -7.217   8.657
  929    H    GLY 114           H        GLY 114  16.143  -4.970   1.738
  930    HA2  GLY 114           HA3      GLY 114  14.882  -3.841  -0.427
  931    HA3  GLY 114           HA2      GLY 114  16.613  -4.091  -0.285
  932    H    HIS 115           H        HIS 115  16.403  -7.020  -0.245
  933    HA   HIS 115           HA       HIS 115  15.878  -7.274  -3.092
  934    HB2  HIS 115           HB2      HIS 115  17.349  -8.945  -1.107
  935    HB3  HIS 115           HB3      HIS 115  16.633  -9.760  -2.500
  936    HD1  HIS 115           HD1      HIS 115  19.771  -8.594  -1.617
  937    HD2  HIS 115           HD2      HIS 115  17.342  -7.888  -4.921
  938    HE1  HIS 115           HE1      HIS 115  21.311  -7.802  -3.437
  939    HE2  HIS 115           HE2      HIS 115  19.843  -7.564  -5.478
  940    H    VAL 116           H        VAL 116  15.058  -9.994  -0.863
  941    HA   VAL 116           HA       VAL 116  12.366  -9.365  -1.882
  942    HB   VAL 116           HB       VAL 116  13.144 -11.439  -2.831
  943   HG11  VAL 116          HG11      VAL 116  14.763 -12.121  -1.171
  944   HG12  VAL 116          HG12      VAL 116  13.479 -12.415   0.001
  945   HG13  VAL 116          HG13      VAL 116  13.600 -13.417  -1.446
  946   HG21  VAL 116          HG21      VAL 116  11.024 -11.889  -0.735
  947   HG22  VAL 116          HG22      VAL 116  10.776 -11.258  -2.362
  948   HG23  VAL 116          HG23      VAL 116  11.312 -12.921  -2.135
  949    H    THR 117           H        THR 117  11.217  -8.342  -0.313
  950    HA   THR 117           HA       THR 117  11.018  -9.671   2.280
  951    HB   THR 117           HB       THR 117   9.340  -7.395   1.217
  952    HG1  THR 117           HG1      THR 117  11.926  -7.523   1.869
  953   HG21  THR 117          HG21      THR 117   8.428  -8.539   3.191
  954   HG22  THR 117          HG22      THR 117   8.994  -6.921   3.606
  955   HG23  THR 117          HG23      THR 117   9.967  -8.330   4.025
  956    H    GLU 118           H        GLU 118   9.737 -11.349   2.474
  957    HA   GLU 118           HA       GLU 118   7.200 -11.292   0.990
  958    HB2  GLU 118           HB2      GLU 118   7.569 -13.974   1.207
  959    HB3  GLU 118           HB3      GLU 118   7.940 -13.036  -0.229
  960    HG2  GLU 118           HG2      GLU 118   9.770 -14.484   0.207
  961    HG3  GLU 118           HG3      GLU 118  10.282 -12.840   0.575
  962    H    GLU 119           H        GLU 119   5.671 -10.915   2.438
  963    HA   GLU 119           HA       GLU 119   5.327 -12.821   4.514
  964    HB2  GLU 119           HB2      GLU 119   5.372 -11.018   6.351
  965    HB3  GLU 119           HB3      GLU 119   6.886 -11.749   5.838
  966    HG2  GLU 119           HG2      GLU 119   7.357  -9.483   6.017
  967    HG3  GLU 119           HG3      GLU 119   7.144  -9.765   4.294
  968    H    TRP 120           H        TRP 120   3.561 -12.315   5.851
  969    HA   TRP 120           HA       TRP 120   1.457 -11.087   4.255
  970    HB2  TRP 120           HB2      TRP 120   1.053 -12.563   6.853
  971    HB3  TRP 120           HB3      TRP 120  -0.080 -12.357   5.524
  972    HD1  TRP 120           HD1      TRP 120   1.177 -15.137   6.982
  973    HE1  TRP 120           HE1      TRP 120   1.935 -17.012   5.388
  974    HE3  TRP 120           HE3      TRP 120   1.699 -12.407   2.691
  975    HZ2  TRP 120           HZ2      TRP 120   2.661 -17.289   2.670
  976    HZ3  TRP 120           HZ3      TRP 120   2.415 -13.538   0.644
  977    HH2  TRP 120           HH2      TRP 120   2.897 -15.939   0.629
  978    H    ARG 121           H        ARG 121   1.354  -8.928   4.608
  979    HA   ARG 121           HA       ARG 121   1.938  -8.015   7.336
  980    HB2  ARG 121           HB2      ARG 121   3.460  -7.211   5.603
  981    HB3  ARG 121           HB3      ARG 121   2.102  -6.574   4.685
  982    HG2  ARG 121           HG2      ARG 121   3.255  -4.792   5.861
  983    HG3  ARG 121           HG3      ARG 121   1.616  -4.983   6.479
  984    HD2  ARG 121           HD2      ARG 121   3.138  -4.646   8.323
  985    HD3  ARG 121           HD3      ARG 121   2.517  -6.295   8.369
  986    HE   ARG 121           HE       ARG 121   4.696  -6.924   7.270
  987   HH11  ARG 121          HH12      ARG 121   4.405  -4.116   9.344
  988   HH12  ARG 121          HH11      ARG 121   6.072  -4.118   9.801
  989   HH21  ARG 121          HH22      ARG 121   6.880  -6.942   7.867
  990   HH22  ARG 121          HH21      ARG 121   7.502  -5.734   8.956
  991    H    ASP 122           H        ASP 122   0.619  -6.395   8.282
  992    HA   ASP 122           HA       ASP 122  -2.156  -7.014   7.662
  993    HB2  ASP 122           HB2      ASP 122  -1.360  -7.555   9.913
  994    HB3  ASP 122           HB3      ASP 122  -0.787  -5.911  10.140
  995    H    LEU 123           H        LEU 123  -3.454  -5.570   6.949
  996    HA   LEU 123           HA       LEU 123  -2.630  -2.799   6.725
  997    HB2  LEU 123           HB2      LEU 123  -4.263  -4.610   5.221
  998    HB3  LEU 123           HB3      LEU 123  -5.252  -3.258   5.734
  999    HG   LEU 123           HG       LEU 123  -4.125  -1.747   4.424
 1000   HD11  LEU 123          HD11      LEU 123  -1.740  -3.587   4.481
 1001   HD12  LEU 123          HD12      LEU 123  -1.826  -2.054   3.612
 1002   HD13  LEU 123          HD13      LEU 123  -1.927  -2.073   5.371
 1003   HD21  LEU 123          HD21      LEU 123  -5.158  -3.389   2.964
 1004   HD22  LEU 123          HD22      LEU 123  -3.672  -2.775   2.242
 1005   HD23  LEU 123          HD23      LEU 123  -3.692  -4.370   2.995
 1006    H    GLN 124           H        GLN 124  -3.297  -1.387   8.264
 1007    HA   GLN 124           HA       GLN 124  -5.328  -2.378  10.108
 1008    HB2  GLN 124           HB2      GLN 124  -4.363  -0.924  11.764
 1009    HB3  GLN 124           HB3      GLN 124  -3.057  -1.849  11.021
 1010    HG2  GLN 124           HG2      GLN 124  -3.578   0.685   9.695
 1011    HG3  GLN 124           HG3      GLN 124  -3.115   0.871  11.384
 1012   HE21  GLN 124          HE21      GLN 124  -1.936  -1.850   9.575
 1013   HE22  GLN 124          HE22      GLN 124  -0.316  -1.300   9.421
 1014    H    SER 125           H        SER 125  -7.178  -1.259  10.326
 1015    HA   SER 125           HA       SER 125  -7.959   0.725   8.507
 1016    HB2  SER 125           HB2      SER 125  -9.499  -0.831   9.785
 1017    HB3  SER 125           HB3      SER 125  -9.241   0.189  11.200
 1018    HG   SER 125           HG       SER 125 -10.162   1.219   8.721
 1019    H    ALA 126           H        ALA 126  -7.529   2.870   8.510
 1020    HA   ALA 126           HA       ALA 126  -5.865   3.789  10.710
 1021    HB1  ALA 126           HB1      ALA 126  -6.280   4.942   7.960
 1022    HB2  ALA 126           HB2      ALA 126  -5.084   5.474   9.144
 1023    HB3  ALA 126           HB3      ALA 126  -4.971   3.862   8.438
 1024    H    GLU 127           H        GLU 127  -6.149   5.648  11.784
 1025    HA   GLU 127           HA       GLU 127  -8.706   7.044  11.449
 1026    HB2  GLU 127           HB2      GLU 127  -8.121   6.303  13.742
 1027    HB3  GLU 127           HB3      GLU 127  -6.651   7.268  13.669
 1028    HG2  GLU 127           HG2      GLU 127  -8.487   8.336  14.936
 1029    HG3  GLU 127           HG3      GLU 127  -7.909   9.297  13.575
 1030    H    LYS 128           H        LYS 128  -8.169   8.087   9.570
 1031    HA   LYS 128           HA       LYS 128  -5.846   9.884   9.632
 1032    HB2  LYS 128           HB2      LYS 128  -5.923   7.930   7.982
 1033    HB3  LYS 128           HB3      LYS 128  -7.214   8.801   7.172
 1034    HG2  LYS 128           HG2      LYS 128  -5.761  10.594   6.611
 1035    HG3  LYS 128           HG3      LYS 128  -4.481   9.955   7.646
 1036    HD2  LYS 128           HD2      LYS 128  -5.578   8.639   5.157
 1037    HD3  LYS 128           HD3      LYS 128  -4.030   9.476   5.289
 1038    HE2  LYS 128           HE2      LYS 128  -4.813   7.032   6.880
 1039    HE3  LYS 128           HE3      LYS 128  -3.840   7.002   5.410
 1040    HZ1  LYS 128           HZ1      LYS 128  -2.173   8.349   6.525
 1041    HZ2  LYS 128           HZ2      LYS 128  -2.461   6.918   7.398
 1042    HZ3  LYS 128           HZ3      LYS 128  -3.111   8.391   7.938
  Start of MODEL   15
    1    H1   GLU   1           H1       GLU   1  -7.580  -1.536  16.006
    2    H2   GLU   1           H2       GLU   1  -9.225  -1.808  16.317
    3    H3   GLU   1           H3       GLU   1  -8.626  -0.226  16.236
    4    HA   GLU   1           HA       GLU   1  -9.877  -0.949  14.242
    5    HB2  GLU   1           HB2      GLU   1  -8.433   0.098  12.686
    6    HB3  GLU   1           HB3      GLU   1  -8.122   0.865  14.231
    7    HG2  GLU   1           HG2      GLU   1  -6.435  -1.242  12.914
    8    HG3  GLU   1           HG3      GLU   1  -6.058   0.478  13.016
    9    H    LYS   2           H        LYS   2  -9.096  -1.846  11.967
   10    HA   LYS   2           HA       LYS   2  -7.687  -4.167  11.723
   11    HB2  LYS   2           HB2      LYS   2  -9.636  -5.814  11.722
   12    HB3  LYS   2           HB3      LYS   2  -9.017  -5.338  13.297
   13    HG2  LYS   2           HG2      LYS   2 -11.150  -3.595  12.429
   14    HG3  LYS   2           HG3      LYS   2 -11.651  -5.282  12.462
   15    HD2  LYS   2           HD2      LYS   2 -10.406  -3.708  14.699
   16    HD3  LYS   2           HD3      LYS   2 -12.071  -4.307  14.623
   17    HE2  LYS   2           HE2      LYS   2 -11.254  -6.605  14.616
   18    HE3  LYS   2           HE3      LYS   2  -9.589  -6.024  14.649
   19    HZ1  LYS   2           HZ1      LYS   2 -10.430  -6.736  16.835
   20    HZ2  LYS   2           HZ2      LYS   2 -11.598  -5.505  16.779
   21    HZ3  LYS   2           HZ3      LYS   2  -9.947  -5.112  16.821
   22    H    LEU   3           H        LEU   3  -7.409  -3.139   9.812
   23    HA   LEU   3           HA       LEU   3  -9.609  -2.727   8.079
   24    HB2  LEU   3           HB2      LEU   3  -7.772  -1.162   7.943
   25    HB3  LEU   3           HB3      LEU   3  -6.640  -2.468   7.668
   26    HG   LEU   3           HG       LEU   3  -7.767  -2.908   5.508
   27   HD11  LEU   3          HD11      LEU   3  -9.922  -1.927   5.976
   28   HD12  LEU   3          HD12      LEU   3  -9.180  -0.339   6.177
   29   HD13  LEU   3          HD13      LEU   3  -9.188  -1.115   4.592
   30   HD21  LEU   3          HD21      LEU   3  -6.634  -0.155   5.874
   31   HD22  LEU   3          HD22      LEU   3  -5.721  -1.633   5.568
   32   HD23  LEU   3          HD23      LEU   3  -6.807  -0.994   4.332
   33    H    GLY   4           H        GLY   4  -7.761  -5.319   9.126
   34    HA2  GLY   4           HA3      GLY   4  -7.667  -7.492   8.152
   35    HA3  GLY   4           HA2      GLY   4  -8.059  -6.775   6.591
   36    H    LYS   5           H        LYS   5  -6.183  -7.732   5.567
   37    HA   LYS   5           HA       LYS   5  -3.659  -6.515   6.337
   38    HB2  LYS   5           HB2      LYS   5  -3.843  -9.521   6.035
   39    HB3  LYS   5           HB3      LYS   5  -2.421  -8.582   6.436
   40    HG2  LYS   5           HG2      LYS   5  -3.410  -7.972   8.580
   41    HG3  LYS   5           HG3      LYS   5  -4.844  -8.922   8.184
   42    HD2  LYS   5           HD2      LYS   5  -3.356 -10.190   9.631
   43    HD3  LYS   5           HD3      LYS   5  -3.451 -10.940   8.039
   44    HE2  LYS   5           HE2      LYS   5  -1.317 -10.066   7.415
   45    HE3  LYS   5           HE3      LYS   5  -1.249  -9.051   8.855
   46    HZ1  LYS   5           HZ1      LYS   5   0.134 -10.976   9.157
   47    HZ2  LYS   5           HZ2      LYS   5  -1.145 -12.022   8.784
   48    HZ3  LYS   5           HZ3      LYS   5  -1.196 -11.087  10.202
   49    H    LEU   6           H        LEU   6  -1.997  -6.891   4.706
   50    HA   LEU   6           HA       LEU   6  -3.067  -7.834   2.149
   51    HB2  LEU   6           HB2      LEU   6  -2.881  -5.792   1.213
   52    HB3  LEU   6           HB3      LEU   6  -2.680  -5.206   2.852
   53    HG   LEU   6           HG       LEU   6  -0.209  -6.038   1.561
   54   HD11  LEU   6          HD11      LEU   6  -1.550  -3.474   0.725
   55   HD12  LEU   6          HD12      LEU   6   0.002  -4.119   0.173
   56   HD13  LEU   6          HD13      LEU   6  -1.498  -4.931  -0.280
   57   HD21  LEU   6          HD21      LEU   6  -1.157  -3.642   3.168
   58   HD22  LEU   6          HD22      LEU   6  -0.259  -5.031   3.785
   59   HD23  LEU   6          HD23      LEU   6   0.515  -3.910   2.661
   60    H    GLN   7           H        GLN   7  -1.864  -9.594   1.774
   61    HA   GLN   7           HA       GLN   7   0.830  -9.641   2.930
   62    HB2  GLN   7           HB2      GLN   7  -0.521 -12.034   1.724
   63    HB3  GLN   7           HB3      GLN   7   0.648 -11.965   3.030
   64    HG2  GLN   7           HG2      GLN   7  -1.136 -12.335   4.325
   65    HG3  GLN   7           HG3      GLN   7  -1.383 -10.600   4.149
   66   HE21  GLN   7          HE21      GLN   7  -2.098 -11.179   1.216
   67   HE22  GLN   7          HE22      GLN   7  -3.754 -11.695   1.302
   68    H    TYR   8           H        TYR   8   2.304  -8.791   1.398
   69    HA   TYR   8           HA       TYR   8   2.968 -10.835  -0.371
   70    HB2  TYR   8           HB2      TYR   8   1.388  -9.374  -1.751
   71    HB3  TYR   8           HB3      TYR   8   2.884  -8.518  -2.113
   72    HD1  TYR   8           HD2      TYR   8   3.454 -11.955  -1.276
   73    HD2  TYR   8           HD1      TYR   8   2.344  -9.404  -4.490
   74    HE1  TYR   8           HE2      TYR   8   4.107 -13.695  -2.871
   75    HE2  TYR   8           HE1      TYR   8   3.009 -11.140  -6.099
   76    HH   TYR   8           HH       TYR   8   4.476 -13.103  -6.191
   77    H    SER   9           H        SER   9   4.596  -8.955  -2.172
   78    HA   SER   9           HA       SER   9   6.922  -9.135  -0.405
   79    HB2  SER   9           HB2      SER   9   8.084 -10.535  -2.099
   80    HB3  SER   9           HB3      SER   9   6.706 -11.359  -1.374
   81    HG   SER   9           HG       SER   9   6.285  -9.891  -3.719
   82    H    LEU  10           H        LEU  10   8.103  -7.498  -0.707
   83    HA   LEU  10           HA       LEU  10   7.874  -5.813  -3.080
   84    HB2  LEU  10           HB2      LEU  10   8.768  -4.676  -0.497
   85    HB3  LEU  10           HB3      LEU  10   7.809  -3.951  -1.764
   86    HG   LEU  10           HG       LEU  10   6.866  -5.759   0.453
   87   HD11  LEU  10          HD11      LEU  10   6.224  -2.968  -0.421
   88   HD12  LEU  10          HD12      LEU  10   5.449  -3.818   0.919
   89   HD13  LEU  10          HD13      LEU  10   7.173  -3.437   0.991
   90   HD21  LEU  10          HD21      LEU  10   4.624  -5.631  -0.469
   91   HD22  LEU  10          HD22      LEU  10   5.231  -4.727  -1.874
   92   HD23  LEU  10          HD23      LEU  10   5.705  -6.413  -1.627
   93    H    ASP  11           H        ASP  11   9.757  -5.060  -3.985
   94    HA   ASP  11           HA       ASP  11  12.295  -6.054  -2.834
   95    HB2  ASP  11           HB2      ASP  11  11.665  -7.721  -4.446
   96    HB3  ASP  11           HB3      ASP  11  11.208  -6.501  -5.623
   97    H    TYR  12           H        TYR  12  14.248  -5.001  -4.001
   98    HA   TYR  12           HA       TYR  12  13.472  -2.334  -5.098
   99    HB2  TYR  12           HB2      TYR  12  15.410  -1.351  -4.078
  100    HB3  TYR  12           HB3      TYR  12  14.499  -2.194  -2.834
  101    HD1  TYR  12           HD1      TYR  12  15.329  -4.432  -2.032
  102    HD2  TYR  12           HD2      TYR  12  17.675  -1.882  -4.498
  103    HE1  TYR  12           HE1      TYR  12  17.348  -5.660  -1.368
  104    HE2  TYR  12           HE2      TYR  12  19.701  -3.104  -3.837
  105    HH   TYR  12           HH       TYR  12  20.514  -4.530  -2.113
  106    H    ASP  13           H        ASP  13  13.970  -2.019  -7.097
  107    HA   ASP  13           HA       ASP  13  16.178  -3.486  -8.349
  108    HB2  ASP  13           HB2      ASP  13  14.020  -3.087  -9.584
  109    HB3  ASP  13           HB3      ASP  13  14.338  -1.360  -9.500
  110    H    PHE  14           H        PHE  14  18.243  -2.525  -8.346
  111    HA   PHE  14           HA       PHE  14  18.110  -0.132  -6.707
  112    HB2  PHE  14           HB2      PHE  14  20.343  -0.638  -5.944
  113    HB3  PHE  14           HB3      PHE  14  19.302  -2.041  -5.769
  114    HD1  PHE  14           HD2      PHE  14  22.098  -0.594  -7.662
  115    HD2  PHE  14           HD1      PHE  14  19.737  -4.062  -6.951
  116    HE1  PHE  14           HE2      PHE  14  23.754  -1.963  -8.862
  117    HE2  PHE  14           HE1      PHE  14  21.390  -5.436  -8.144
  118    HZ   PHE  14           HZ       PHE  14  23.402  -4.387  -9.102
  119    H    GLN  15           H        GLN  15  19.272  -0.958 -10.003
  120    HA   GLN  15           HA       GLN  15  20.737   1.537  -9.817
  121    HB2  GLN  15           HB2      GLN  15  21.885   0.920 -11.665
  122    HB3  GLN  15           HB3      GLN  15  21.440  -0.659 -11.070
  123    HG2  GLN  15           HG2      GLN  15  19.936   0.818 -13.198
  124    HG3  GLN  15           HG3      GLN  15  21.201  -0.358 -13.523
  125   HE21  GLN  15          HE21      GLN  15  17.948   0.166 -12.594
  126   HE22  GLN  15          HE22      GLN  15  17.449  -1.488 -12.552
  127    H    ASN  16           H        ASN  16  17.418   0.896 -10.453
  128    HA   ASN  16           HA       ASN  16  17.536   3.707 -11.271
  129    HB2  ASN  16           HB2      ASN  16  15.016   3.394 -11.386
  130    HB3  ASN  16           HB3      ASN  16  15.968   2.598 -12.621
  131   HD21  ASN  16          HD21      ASN  16  14.345   1.130 -13.028
  132   HD22  ASN  16          HD22      ASN  16  13.964  -0.156 -11.936
  133    H    ASN  17           H        ASN  17  17.516   1.724  -8.714
  134    HA   ASN  17           HA       ASN  17  17.478   1.906  -6.541
  135    HB2  ASN  17           HB2      ASN  17  18.697   4.229  -7.407
  136    HB3  ASN  17           HB3      ASN  17  17.476   4.774  -6.246
  137   HD21  ASN  17          HD21      ASN  17  17.495   2.241  -4.854
  138   HD22  ASN  17          HD22      ASN  17  18.952   2.200  -3.911
  139    H    GLN  18           H        GLN  18  15.178   1.271  -7.252
  140    HA   GLN  18           HA       GLN  18  13.409   3.051  -5.747
  141    HB2  GLN  18           HB2      GLN  18  11.582   2.422  -7.301
  142    HB3  GLN  18           HB3      GLN  18  12.794   3.456  -8.012
  143    HG2  GLN  18           HG2      GLN  18  12.360   1.956  -9.689
  144    HG3  GLN  18           HG3      GLN  18  13.756   1.222  -8.909
  145   HE21  GLN  18          HE21      GLN  18  10.633   1.118  -7.406
  146   HE22  GLN  18          HE22      GLN  18  10.352  -0.564  -7.664
  147    H    LEU  19           H        LEU  19  12.026   2.090  -4.364
  148    HA   LEU  19           HA       LEU  19  12.332  -0.765  -4.037
  149    HB2  LEU  19           HB2      LEU  19  11.026   1.390  -2.392
  150    HB3  LEU  19           HB3      LEU  19  10.788  -0.314  -2.042
  151    HG   LEU  19           HG       LEU  19  13.591   0.687  -2.279
  152   HD11  LEU  19          HD11      LEU  19  11.858   1.084   0.148
  153   HD12  LEU  19          HD12      LEU  19  13.598   1.353   0.058
  154   HD13  LEU  19          HD13      LEU  19  12.501   2.360  -0.887
  155   HD21  LEU  19          HD21      LEU  19  13.922  -0.983  -0.472
  156   HD22  LEU  19          HD22      LEU  19  12.202  -1.368  -0.559
  157   HD23  LEU  19          HD23      LEU  19  13.245  -1.679  -1.947
  158    H    LEU  20           H        LEU  20  10.500  -2.128  -4.018
  159    HA   LEU  20           HA       LEU  20   8.378  -1.178  -5.840
  160    HB2  LEU  20           HB2      LEU  20  10.470  -2.490  -6.726
  161    HB3  LEU  20           HB3      LEU  20   9.706  -3.877  -5.992
  162    HG   LEU  20           HG       LEU  20   8.113  -4.033  -7.601
  163   HD11  LEU  20          HD11      LEU  20   8.341  -1.058  -7.926
  164   HD12  LEU  20          HD12      LEU  20   7.403  -2.080  -9.018
  165   HD13  LEU  20          HD13      LEU  20   6.975  -2.001  -7.308
  166   HD21  LEU  20          HD21      LEU  20   9.080  -3.573  -9.790
  167   HD22  LEU  20          HD22      LEU  20  10.287  -2.524  -9.043
  168   HD23  LEU  20          HD23      LEU  20  10.281  -4.251  -8.690
  169    H    VAL  21           H        VAL  21   6.317  -1.866  -5.186
  170    HA   VAL  21           HA       VAL  21   6.250  -3.768  -2.941
  171    HB   VAL  21           HB       VAL  21   5.800  -1.596  -2.000
  172   HG11  VAL  21          HG11      VAL  21   3.993  -0.143  -2.757
  173   HG12  VAL  21          HG12      VAL  21   5.205  -0.381  -4.016
  174   HG13  VAL  21          HG13      VAL  21   3.668  -1.244  -4.096
  175   HG21  VAL  21          HG21      VAL  21   3.199  -3.075  -2.369
  176   HG22  VAL  21          HG22      VAL  21   4.406  -3.368  -1.116
  177   HG23  VAL  21          HG23      VAL  21   3.514  -1.846  -1.142
  178    H    GLY  22           H        GLY  22   5.821  -5.458  -4.206
  179    HA2  GLY  22           HA3      GLY  22   3.563  -5.361  -6.054
  180    HA3  GLY  22           HA2      GLY  22   4.822  -6.604  -5.924
  181    H    ILE  23           H        ILE  23   1.790  -5.442  -4.446
  182    HA   ILE  23           HA       ILE  23   2.270  -7.676  -2.606
  183    HB   ILE  23           HB       ILE  23   0.239  -7.043  -1.413
  184   HG12  ILE  23          HG12      ILE  23  -0.935  -6.138  -3.513
  185   HG13  ILE  23          HG13      ILE  23  -1.158  -5.238  -2.020
  186   HG21  ILE  23          HG21      ILE  23   1.065  -4.870  -0.611
  187   HG22  ILE  23          HG22      ILE  23   2.355  -6.058  -0.807
  188   HG23  ILE  23          HG23      ILE  23   2.140  -4.783  -2.007
  189   HD11  ILE  23          HD11      ILE  23   0.727  -4.513  -4.255
  190   HD12  ILE  23          HD12      ILE  23  -0.826  -3.751  -3.909
  191   HD13  ILE  23          HD13      ILE  23   0.504  -3.607  -2.758
  192    H    ILE  24           H        ILE  24  -0.401  -8.511  -1.997
  193    HA   ILE  24           HA       ILE  24  -1.137  -9.922  -4.485
  194    HB   ILE  24           HB       ILE  24  -1.454 -10.954  -1.656
  195   HG12  ILE  24          HG12      ILE  24   0.118 -12.016  -4.011
  196   HG13  ILE  24          HG13      ILE  24   0.803 -11.239  -2.587
  197   HG21  ILE  24          HG21      ILE  24  -3.417 -11.503  -2.995
  198   HG22  ILE  24          HG22      ILE  24  -2.383 -12.161  -4.264
  199   HG23  ILE  24          HG23      ILE  24  -2.451 -12.946  -2.686
  200   HD11  ILE  24          HD11      ILE  24  -0.020 -13.062  -1.192
  201   HD12  ILE  24          HD12      ILE  24  -0.712 -13.839  -2.617
  202   HD13  ILE  24          HD13      ILE  24   1.035 -13.652  -2.477
  203    H    GLN  25           H        GLN  25  -2.571  -9.386  -1.353
  204    HA   GLN  25           HA       GLN  25  -4.722  -7.850  -2.390
  205    HB2  GLN  25           HB2      GLN  25  -6.454  -9.492  -1.735
  206    HB3  GLN  25           HB3      GLN  25  -5.502 -10.010  -3.113
  207    HG2  GLN  25           HG2      GLN  25  -5.517 -11.944  -1.986
  208    HG3  GLN  25           HG3      GLN  25  -4.121 -11.218  -1.189
  209   HE21  GLN  25          HE21      GLN  25  -4.438 -10.237   0.849
  210   HE22  GLN  25          HE22      GLN  25  -5.685 -10.791   1.887
  211    H    ALA  26           H        ALA  26  -5.932  -7.036  -0.863
  212    HA   ALA  26           HA       ALA  26  -5.128  -7.456   1.905
  213    HB1  ALA  26           HB1      ALA  26  -6.680  -5.234   0.574
  214    HB2  ALA  26           HB2      ALA  26  -6.428  -5.368   2.315
  215    HB3  ALA  26           HB3      ALA  26  -5.050  -5.138   1.240
  216    H    ALA  27           H        ALA  27  -6.830  -7.938   3.377
  217    HA   ALA  27           HA       ALA  27  -9.148  -9.088   2.006
  218    HB1  ALA  27           HB1      ALA  27  -7.572 -10.365   4.222
  219    HB2  ALA  27           HB2      ALA  27  -9.013 -11.037   3.449
  220    HB3  ALA  27           HB3      ALA  27  -7.533 -10.818   2.516
  221    H    GLU  28           H        GLU  28 -11.049  -8.510   2.731
  222    HA   GLU  28           HA       GLU  28 -12.772  -8.014   4.117
  223    HB2  GLU  28           HB2      GLU  28 -10.854  -8.840   6.297
  224    HB3  GLU  28           HB3      GLU  28 -12.583  -8.585   6.508
  225    HG2  GLU  28           HG2      GLU  28 -13.081 -10.435   5.050
  226    HG3  GLU  28           HG3      GLU  28 -11.370 -10.635   4.667
  227    H    LEU  29           H        LEU  29 -11.476  -5.831   3.207
  228    HA   LEU  29           HA       LEU  29 -10.918  -4.137   5.531
  229    HB2  LEU  29           HB2      LEU  29 -10.884  -3.088   2.734
  230    HB3  LEU  29           HB3      LEU  29  -9.916  -2.613   4.112
  231    HG   LEU  29           HG       LEU  29  -9.432  -4.792   2.117
  232   HD11  LEU  29          HD11      LEU  29  -7.845  -2.618   3.432
  233   HD12  LEU  29          HD12      LEU  29  -7.103  -3.898   2.466
  234   HD13  LEU  29          HD13      LEU  29  -8.269  -2.795   1.725
  235   HD21  LEU  29          HD21      LEU  29  -8.219  -4.766   4.882
  236   HD22  LEU  29          HD22      LEU  29  -9.304  -6.000   4.236
  237   HD23  LEU  29          HD23      LEU  29  -7.705  -5.780   3.520
  238    HA   PRO  30           HA       PRO  30 -14.988  -2.684   6.194
  239    HB2  PRO  30           HB2      PRO  30 -13.671   0.000   5.978
  240    HB3  PRO  30           HB3      PRO  30 -14.852  -0.578   7.162
  241    HG2  PRO  30           HG2      PRO  30 -12.269  -0.514   7.768
  242    HG3  PRO  30           HG3      PRO  30 -13.289  -1.866   8.292
  243    HD2  PRO  30           HD2      PRO  30 -11.197  -1.782   6.202
  244    HD3  PRO  30           HD3      PRO  30 -11.783  -3.156   7.158
  245    H    ALA  31           H        ALA  31 -16.747  -2.136   5.147
  246    HA   ALA  31           HA       ALA  31 -16.632  -1.357   2.346
  247    HB1  ALA  31           HB1      ALA  31 -18.955  -2.118   4.112
  248    HB2  ALA  31           HB2      ALA  31 -18.996  -1.940   2.359
  249    HB3  ALA  31           HB3      ALA  31 -18.030  -3.220   3.091
  250    H    LEU  32           H        LEU  32 -16.889   0.776   1.658
  251    HA   LEU  32           HA       LEU  32 -18.697   2.462   3.339
  252    HB2  LEU  32           HB2      LEU  32 -16.895   3.674   1.353
  253    HB3  LEU  32           HB3      LEU  32 -17.480   4.331   2.874
  254    HG   LEU  32           HG       LEU  32 -15.283   2.308   2.535
  255   HD11  LEU  32          HD11      LEU  32 -14.681   4.593   1.949
  256   HD12  LEU  32          HD12      LEU  32 -15.299   5.163   3.499
  257   HD13  LEU  32          HD13      LEU  32 -13.893   4.099   3.449
  258   HD21  LEU  32          HD21      LEU  32 -16.390   3.519   5.062
  259   HD22  LEU  32          HD22      LEU  32 -16.654   1.852   4.515
  260   HD23  LEU  32          HD23      LEU  32 -15.027   2.403   4.940
  261    H    ASP  33           H        ASP  33 -19.563   0.757   1.252
  262    HA   ASP  33           HA       ASP  33 -20.307   2.651  -0.826
  263    HB2  ASP  33           HB2      ASP  33 -18.576   1.734  -1.987
  264    HB3  ASP  33           HB3      ASP  33 -18.564   0.268  -1.019
  265    H    MET  34           H        MET  34 -21.890   1.801  -2.261
  266    HA   MET  34           HA       MET  34 -24.107   0.969  -0.614
  267    HB2  MET  34           HB2      MET  34 -24.047   1.729  -3.539
  268    HB3  MET  34           HB3      MET  34 -25.493   1.547  -2.558
  269    HG2  MET  34           HG2      MET  34 -24.826   3.410  -1.167
  270    HG3  MET  34           HG3      MET  34 -23.317   3.567  -2.061
  271    HE1  MET  34           HE1      MET  34 -23.750   6.125  -2.480
  272    HE2  MET  34           HE2      MET  34 -25.234   6.778  -3.171
  273    HE3  MET  34           HE3      MET  34 -25.260   6.035  -1.571
  274    H    GLY  35           H        GLY  35 -22.774  -1.152  -0.535
  275    HA2  GLY  35           HA3      GLY  35 -24.541  -3.112  -1.559
  276    HA3  GLY  35           HA2      GLY  35 -23.007  -3.159  -2.426
  277    H    GLY  36           H        GLY  36 -22.976  -2.041   0.806
  278    HA2  GLY  36           HA3      GLY  36 -21.747  -2.731   2.610
  279    HA3  GLY  36           HA2      GLY  36 -22.446  -4.318   2.298
  280    H    THR  37           H        THR  37 -20.329  -2.414   0.262
  281    HA   THR  37           HA       THR  37 -18.114  -4.210   0.761
  282    HB   THR  37           HB       THR  37 -17.647  -4.185  -1.754
  283    HG1  THR  37           HG1      THR  37 -19.422  -2.667  -2.152
  284   HG21  THR  37          HG21      THR  37 -18.221  -6.228  -0.591
  285   HG22  THR  37          HG22      THR  37 -19.056  -6.187  -2.145
  286   HG23  THR  37          HG23      THR  37 -19.936  -5.823  -0.660
  287    H    SER  38           H        SER  38 -16.214  -3.274  -0.564
  288    HA   SER  38           HA       SER  38 -16.294  -0.348  -0.542
  289    HB2  SER  38           HB2      SER  38 -14.970  -1.058   1.330
  290    HB3  SER  38           HB3      SER  38 -14.201  -2.334   0.394
  291    HG   SER  38           HG       SER  38 -13.875   0.458   0.003
  292    H    ASP  39           H        ASP  39 -14.902   0.625  -2.206
  293    HA   ASP  39           HA       ASP  39 -13.920  -1.289  -4.213
  294    HB2  ASP  39           HB2      ASP  39 -14.792   1.597  -4.475
  295    HB3  ASP  39           HB3      ASP  39 -13.783   0.824  -5.692
  296    HA   PRO  40           HA       PRO  40 -10.435   0.225  -1.475
  297    HB2  PRO  40           HB2      PRO  40  -9.078  -2.164  -2.262
  298    HB3  PRO  40           HB3      PRO  40  -9.750  -1.765  -0.683
  299    HG2  PRO  40           HG2      PRO  40 -10.863  -3.474  -2.800
  300    HG3  PRO  40           HG3      PRO  40 -11.257  -3.415  -1.075
  301    HD2  PRO  40           HD2      PRO  40 -12.880  -2.521  -3.052
  302    HD3  PRO  40           HD3      PRO  40 -12.899  -1.907  -1.389
  303    H    TYR  41           H        TYR  41  -8.350   0.865  -1.999
  304    HA   TYR  41           HA       TYR  41  -7.213   0.397  -4.544
  305    HB2  TYR  41           HB2      TYR  41  -7.661   2.359  -5.596
  306    HB3  TYR  41           HB3      TYR  41  -9.039   2.386  -4.527
  307    HD1  TYR  41           HD2      TYR  41  -5.448   3.434  -4.072
  308    HD2  TYR  41           HD1      TYR  41  -9.562   4.514  -3.982
  309    HE1  TYR  41           HE2      TYR  41  -4.829   5.692  -3.346
  310    HE2  TYR  41           HE1      TYR  41  -8.952   6.788  -3.292
  311    HH   TYR  41           HH       TYR  41  -5.932   8.037  -3.578
  312    H    VAL  42           H        VAL  42  -5.025   0.468  -4.291
  313    HA   VAL  42           HA       VAL  42  -4.164   1.279  -1.624
  314    HB   VAL  42           HB       VAL  42  -3.793  -1.068  -2.279
  315   HG11  VAL  42          HG11      VAL  42  -3.351  -0.817  -4.638
  316   HG12  VAL  42          HG12      VAL  42  -1.851   0.043  -4.287
  317   HG13  VAL  42          HG13      VAL  42  -2.017  -1.656  -3.846
  318   HG21  VAL  42          HG21      VAL  42  -1.290   0.520  -1.773
  319   HG22  VAL  42          HG22      VAL  42  -2.422  -0.074  -0.559
  320   HG23  VAL  42          HG23      VAL  42  -1.472  -1.214  -1.513
  321    H    LYS  43           H        LYS  43  -3.525   3.299  -1.579
  322    HA   LYS  43           HA       LYS  43  -1.352   4.083  -3.416
  323    HB2  LYS  43           HB2      LYS  43  -1.608   6.343  -2.325
  324    HB3  LYS  43           HB3      LYS  43  -2.930   5.835  -3.360
  325    HG2  LYS  43           HG2      LYS  43  -4.283   5.295  -1.389
  326    HG3  LYS  43           HG3      LYS  43  -2.914   5.740  -0.345
  327    HD2  LYS  43           HD2      LYS  43  -2.945   8.012  -1.204
  328    HD3  LYS  43           HD3      LYS  43  -4.250   7.598  -2.312
  329    HE2  LYS  43           HE2      LYS  43  -5.678   7.085  -0.346
  330    HE3  LYS  43           HE3      LYS  43  -4.375   7.655   0.699
  331    HZ1  LYS  43           HZ1      LYS  43  -4.541   9.833  -0.254
  332    HZ2  LYS  43           HZ2      LYS  43  -6.097   9.358   0.218
  333    HZ3  LYS  43           HZ3      LYS  43  -5.658   9.308  -1.415
  334    H    VAL  44           H        VAL  44   0.799   4.231  -2.613
  335    HA   VAL  44           HA       VAL  44   0.996   3.952   0.340
  336    HB   VAL  44           HB       VAL  44   2.335   2.066  -1.606
  337   HG11  VAL  44          HG11      VAL  44   3.907   2.701   0.139
  338   HG12  VAL  44          HG12      VAL  44   2.716   2.291   1.375
  339   HG13  VAL  44          HG13      VAL  44   3.385   1.029   0.342
  340   HG21  VAL  44          HG21      VAL  44   1.157   0.328  -0.326
  341   HG22  VAL  44          HG22      VAL  44   0.373   1.583   0.634
  342   HG23  VAL  44          HG23      VAL  44   0.043   1.459  -1.094
  343    H    PHE  45           H        PHE  45   2.443   5.482   1.102
  344    HA   PHE  45           HA       PHE  45   4.486   6.324  -0.730
  345    HB2  PHE  45           HB2      PHE  45   3.715   8.674  -0.706
  346    HB3  PHE  45           HB3      PHE  45   2.603   7.593  -1.534
  347    HD1  PHE  45           HD2      PHE  45   0.475   6.941  -0.431
  348    HD2  PHE  45           HD1      PHE  45   3.053   9.908   1.201
  349    HE1  PHE  45           HE2      PHE  45  -1.370   7.766   0.970
  350    HE2  PHE  45           HE1      PHE  45   1.211  10.737   2.606
  351    HZ   PHE  45           HZ       PHE  45  -1.003   9.666   2.490
  352    H    LEU  46           H        LEU  46   5.621   8.093   0.054
  353    HA   LEU  46           HA       LEU  46   6.062   8.128   2.946
  354    HB2  LEU  46           HB2      LEU  46   8.133   8.913   0.930
  355    HB3  LEU  46           HB3      LEU  46   8.353   8.319   2.584
  356    HG   LEU  46           HG       LEU  46   7.767   6.726   0.091
  357   HD11  LEU  46          HD11      LEU  46  10.079   7.304   0.536
  358   HD12  LEU  46          HD12      LEU  46   9.970   6.548   2.127
  359   HD13  LEU  46          HD13      LEU  46   9.797   5.567   0.669
  360   HD21  LEU  46          HD21      LEU  46   7.766   5.667   2.918
  361   HD22  LEU  46          HD22      LEU  46   6.344   5.844   1.889
  362   HD23  LEU  46          HD23      LEU  46   7.623   4.718   1.434
  363    H    LEU  47           H        LEU  47   7.317  10.177   3.448
  364    HA   LEU  47           HA       LEU  47   6.045  12.586   2.536
  365    HB2  LEU  47           HB2      LEU  47   8.745  12.351   3.867
  366    HB3  LEU  47           HB3      LEU  47   7.616  13.695   3.957
  367    HG   LEU  47           HG       LEU  47   6.934  11.002   5.072
  368   HD11  LEU  47          HD11      LEU  47   7.754  11.774   7.235
  369   HD12  LEU  47          HD12      LEU  47   9.054  11.669   6.045
  370   HD13  LEU  47          HD13      LEU  47   8.376  13.239   6.475
  371   HD21  LEU  47          HD21      LEU  47   6.004  13.800   5.710
  372   HD22  LEU  47          HD22      LEU  47   5.106  12.590   4.793
  373   HD23  LEU  47          HD23      LEU  47   5.448  12.326   6.502
  374    HA   PRO  48           HA       PRO  48   9.164  14.113  -0.776
  375    HB2  PRO  48           HB2      PRO  48  10.814  15.005   1.571
  376    HB3  PRO  48           HB3      PRO  48  10.593  15.791   0.002
  377    HG2  PRO  48           HG2      PRO  48   9.216  16.597   2.146
  378    HG3  PRO  48           HG3      PRO  48   8.478  16.569   0.535
  379    HD2  PRO  48           HD2      PRO  48   7.938  14.857   2.871
  380    HD3  PRO  48           HD3      PRO  48   6.932  15.168   1.443
  381    H    ASP  49           H        ASP  49   9.971  12.220   1.933
  382    HA   ASP  49           HA       ASP  49  12.105  10.723   1.224
  383    HB2  ASP  49           HB2      ASP  49   9.549   9.842   2.564
  384    HB3  ASP  49           HB3      ASP  49  11.063   8.952   2.580
  385    H    LYS  50           H        LYS  50   9.277  10.899  -0.691
  386    HA   LYS  50           HA       LYS  50   8.993   9.730  -2.771
  387    HB2  LYS  50           HB2      LYS  50  10.264   7.852  -2.722
  388    HB3  LYS  50           HB3      LYS  50  10.117   7.744  -0.979
  389    HG2  LYS  50           HG2      LYS  50   9.192   5.781  -2.277
  390    HG3  LYS  50           HG3      LYS  50   8.068   6.513  -1.138
  391    HD2  LYS  50           HD2      LYS  50   7.363   7.972  -3.065
  392    HD3  LYS  50           HD3      LYS  50   8.142   6.754  -4.119
  393    HE2  LYS  50           HE2      LYS  50   5.582   6.581  -3.434
  394    HE3  LYS  50           HE3      LYS  50   6.586   5.148  -3.635
  395    HZ1  LYS  50           HZ1      LYS  50   5.219   5.186  -1.569
  396    HZ2  LYS  50           HZ2      LYS  50   6.159   6.491  -1.026
  397    HZ3  LYS  50           HZ3      LYS  50   6.881   4.986  -1.301
  398    H    LYS  51           H        LYS  51   7.434  11.101  -1.642
  399    HA   LYS  51           HA       LYS  51   5.000   9.803  -0.920
  400    HB2  LYS  51           HB2      LYS  51   4.038  12.102  -1.520
  401    HB3  LYS  51           HB3      LYS  51   5.163  11.995  -0.176
  402    HG2  LYS  51           HG2      LYS  51   5.626  13.961  -1.473
  403    HG3  LYS  51           HG3      LYS  51   6.962  12.825  -1.627
  404    HD2  LYS  51           HD2      LYS  51   6.316  12.227  -3.824
  405    HD3  LYS  51           HD3      LYS  51   4.749  13.020  -3.655
  406    HE2  LYS  51           HE2      LYS  51   7.409  14.440  -3.610
  407    HE3  LYS  51           HE3      LYS  51   6.372  14.301  -5.031
  408    HZ1  LYS  51           HZ1      LYS  51   5.686  15.653  -2.474
  409    HZ2  LYS  51           HZ2      LYS  51   4.617  15.446  -3.774
  410    HZ3  LYS  51           HZ3      LYS  51   6.004  16.407  -3.961
  411    H    LYS  52           H        LYS  52   6.219   8.819  -3.621
  412    HA   LYS  52           HA       LYS  52   3.614   9.211  -4.944
  413    HB2  LYS  52           HB2      LYS  52   4.944   8.897  -7.145
  414    HB3  LYS  52           HB3      LYS  52   4.768  10.476  -6.404
  415    HG2  LYS  52           HG2      LYS  52   7.063   9.841  -7.320
  416    HG3  LYS  52           HG3      LYS  52   6.994  10.530  -5.700
  417    HD2  LYS  52           HD2      LYS  52   7.638   8.596  -4.702
  418    HD3  LYS  52           HD3      LYS  52   6.866   7.566  -5.913
  419    HE2  LYS  52           HE2      LYS  52   9.394   7.499  -5.831
  420    HE3  LYS  52           HE3      LYS  52   8.662   7.859  -7.417
  421    HZ1  LYS  52           HZ1      LYS  52   9.835   9.864  -5.558
  422    HZ2  LYS  52           HZ2      LYS  52   9.046  10.242  -7.008
  423    HZ3  LYS  52           HZ3      LYS  52  10.489   9.356  -7.038
  424    H    LYS  53           H        LYS  53   3.056   7.120  -3.995
  425    HA   LYS  53           HA       LYS  53   4.006   4.950  -5.631
  426    HB2  LYS  53           HB2      LYS  53   2.871   4.844  -3.170
  427    HB3  LYS  53           HB3      LYS  53   1.525   4.404  -4.226
  428    HG2  LYS  53           HG2      LYS  53   3.221   2.865  -5.392
  429    HG3  LYS  53           HG3      LYS  53   4.195   3.101  -3.946
  430    HD2  LYS  53           HD2      LYS  53   2.869   1.049  -3.840
  431    HD3  LYS  53           HD3      LYS  53   2.415   2.193  -2.576
  432    HE2  LYS  53           HE2      LYS  53   0.451   2.826  -3.739
  433    HE3  LYS  53           HE3      LYS  53   0.965   1.978  -5.197
  434    HZ1  LYS  53           HZ1      LYS  53   0.271   0.697  -2.615
  435    HZ2  LYS  53           HZ2      LYS  53   0.747  -0.107  -4.027
  436    HZ3  LYS  53           HZ3      LYS  53  -0.713   0.747  -3.992
  437    H    PHE  54           H        PHE  54   3.028   4.066  -7.304
  438    HA   PHE  54           HA       PHE  54   0.801   5.536  -8.448
  439    HB2  PHE  54           HB2      PHE  54   2.107   2.977  -9.431
  440    HB3  PHE  54           HB3      PHE  54   1.014   4.010 -10.345
  441    HD1  PHE  54           HD1      PHE  54   1.772   6.246 -11.096
  442    HD2  PHE  54           HD2      PHE  54   4.420   3.449  -9.288
  443    HE1  PHE  54           HE1      PHE  54   3.694   7.497 -11.985
  444    HE2  PHE  54           HE2      PHE  54   6.347   4.695 -10.173
  445    HZ   PHE  54           HZ       PHE  54   5.985   6.723 -11.524
  446    H    GLU  55           H        GLU  55  -1.047   3.800  -9.250
  447    HA   GLU  55           HA       GLU  55  -1.906   2.826  -6.655
  448    HB2  GLU  55           HB2      GLU  55  -3.430   4.555  -6.169
  449    HB3  GLU  55           HB3      GLU  55  -1.950   5.390  -6.631
  450    HG2  GLU  55           HG2      GLU  55  -2.822   5.842  -8.823
  451    HG3  GLU  55           HG3      GLU  55  -4.255   4.857  -8.496
  452    H    THR  56           H        THR  56  -3.514   1.415  -6.914
  453    HA   THR  56           HA       THR  56  -5.249   1.507  -9.294
  454    HB   THR  56           HB       THR  56  -6.663   0.033  -7.632
  455    HG1  THR  56           HG1      THR  56  -5.268   0.647  -5.847
  456   HG21  THR  56          HG21      THR  56  -5.585  -0.900  -9.617
  457   HG22  THR  56          HG22      THR  56  -5.408  -1.995  -8.245
  458   HG23  THR  56          HG23      THR  56  -4.049  -0.993  -8.758
  459    H    LYS  57           H        LYS  57  -7.095   3.489  -8.930
  460    HA   LYS  57           HA       LYS  57  -8.406   1.793  -6.916
  461    HB2  LYS  57           HB2      LYS  57 -10.490   3.141  -7.364
  462    HB3  LYS  57           HB3      LYS  57  -9.196   4.013  -6.567
  463    HG2  LYS  57           HG2      LYS  57  -9.482   4.197  -9.532
  464    HG3  LYS  57           HG3      LYS  57 -10.561   5.121  -8.486
  465    HD2  LYS  57           HD2      LYS  57  -7.553   5.270  -8.620
  466    HD3  LYS  57           HD3      LYS  57  -8.713   6.526  -9.060
  467    HE2  LYS  57           HE2      LYS  57  -9.482   6.510  -6.673
  468    HE3  LYS  57           HE3      LYS  57  -8.124   5.439  -6.315
  469    HZ1  LYS  57           HZ1      LYS  57  -8.010   8.237  -7.305
  470    HZ2  LYS  57           HZ2      LYS  57  -6.657   7.218  -7.250
  471    HZ3  LYS  57           HZ3      LYS  57  -7.454   7.650  -5.817
  472    H    VAL  58           H        VAL  58  -7.950  -0.133  -8.819
  473    HA   VAL  58           HA       VAL  58 -10.868  -0.170  -9.244
  474    HB   VAL  58           HB       VAL  58 -10.431  -2.286 -10.653
  475   HG11  VAL  58          HG11      VAL  58 -10.108  -0.953 -12.700
  476   HG12  VAL  58          HG12      VAL  58 -11.294  -0.237 -11.609
  477   HG13  VAL  58          HG13      VAL  58  -9.666   0.435 -11.705
  478   HG21  VAL  58          HG21      VAL  58  -8.049  -2.524 -10.086
  479   HG22  VAL  58          HG22      VAL  58  -8.301  -2.377 -11.826
  480   HG23  VAL  58          HG23      VAL  58  -7.711  -0.996 -10.900
  481    H    HIS  59           H        HIS  59 -11.274  -0.875  -6.865
  482    HA   HIS  59           HA       HIS  59 -10.992  -3.775  -7.198
  483    HB2  HIS  59           HB2      HIS  59 -10.677  -2.338  -4.568
  484    HB3  HIS  59           HB3      HIS  59 -10.897  -4.086  -4.723
  485    HD1  HIS  59           HD1      HIS  59  -8.431  -1.372  -5.241
  486    HD2  HIS  59           HD2      HIS  59  -8.717  -5.445  -5.997
  487    HE1  HIS  59           HE1      HIS  59  -6.149  -2.074  -6.025
  488    HE2  HIS  59           HE2      HIS  59  -6.446  -4.459  -6.768
  489    H    ARG  60           H        ARG  60 -13.019  -3.938  -8.202
  490    HA   ARG  60           HA       ARG  60 -15.085  -2.273  -7.116
  491    HB2  ARG  60           HB2      ARG  60 -15.127  -4.297  -9.343
  492    HB3  ARG  60           HB3      ARG  60 -16.503  -3.292  -8.900
  493    HG2  ARG  60           HG2      ARG  60 -13.823  -2.334  -9.870
  494    HG3  ARG  60           HG3      ARG  60 -15.342  -2.310 -10.770
  495    HD2  ARG  60           HD2      ARG  60 -16.290  -0.790  -9.085
  496    HD3  ARG  60           HD3      ARG  60 -14.750  -0.798  -8.225
  497    HE   ARG  60           HE       ARG  60 -14.082   0.009 -10.732
  498   HH11  ARG  60          HH12      ARG  60 -16.284   1.163  -8.267
  499   HH12  ARG  60          HH11      ARG  60 -16.364   2.770  -8.930
  500   HH21  ARG  60          HH22      ARG  60 -14.125   2.142 -11.554
  501   HH22  ARG  60          HH21      ARG  60 -15.151   3.328 -10.796
  502    H    LYS  61           H        LYS  61 -16.093  -2.741  -5.386
  503    HA   LYS  61           HA       LYS  61 -17.794  -3.546  -4.180
  504    HB2  LYS  61           HB2      LYS  61 -18.218  -5.664  -6.279
  505    HB3  LYS  61           HB3      LYS  61 -19.391  -4.986  -5.153
  506    HG2  LYS  61           HG2      LYS  61 -18.134  -3.094  -7.048
  507    HG3  LYS  61           HG3      LYS  61 -19.243  -4.282  -7.731
  508    HD2  LYS  61           HD2      LYS  61 -20.489  -2.309  -7.212
  509    HD3  LYS  61           HD3      LYS  61 -20.940  -3.560  -6.057
  510    HE2  LYS  61           HE2      LYS  61 -20.704  -1.537  -4.844
  511    HE3  LYS  61           HE3      LYS  61 -19.311  -2.543  -4.456
  512    HZ1  LYS  61           HZ1      LYS  61 -18.930  -0.084  -4.958
  513    HZ2  LYS  61           HZ2      LYS  61 -19.154  -0.497  -6.585
  514    HZ3  LYS  61           HZ3      LYS  61 -17.892  -1.199  -5.694
  515    H    THR  62           H        THR  62 -15.392  -4.285  -3.268
  516    HA   THR  62           HA       THR  62 -15.945  -6.966  -2.291
  517    HB   THR  62           HB       THR  62 -13.747  -7.799  -2.703
  518    HG1  THR  62           HG1      THR  62 -13.172  -5.222  -3.154
  519   HG21  THR  62          HG21      THR  62 -15.322  -8.197  -4.514
  520   HG22  THR  62          HG22      THR  62 -13.678  -8.022  -5.128
  521   HG23  THR  62          HG23      THR  62 -14.820  -6.687  -5.276
  522    H    LEU  63           H        LEU  63 -15.586  -6.995  -0.203
  523    HA   LEU  63           HA       LEU  63 -13.916  -5.050   1.115
  524    HB2  LEU  63           HB2      LEU  63 -15.749  -7.170   1.882
  525    HB3  LEU  63           HB3      LEU  63 -14.284  -7.182   2.840
  526    HG   LEU  63           HG       LEU  63 -14.715  -5.056   3.725
  527   HD11  LEU  63          HD11      LEU  63 -15.208  -3.916   1.656
  528   HD12  LEU  63          HD12      LEU  63 -16.771  -4.728   1.549
  529   HD13  LEU  63          HD13      LEU  63 -16.464  -3.572   2.846
  530   HD21  LEU  63          HD21      LEU  63 -17.400  -6.393   3.399
  531   HD22  LEU  63          HD22      LEU  63 -16.205  -6.765   4.641
  532   HD23  LEU  63          HD23      LEU  63 -16.986  -5.184   4.612
  533    H    ASN  64           H        ASN  64 -13.300  -7.711  -0.748
  534    HA   ASN  64           HA       ASN  64 -10.764  -8.223   0.599
  535    HB2  ASN  64           HB2      ASN  64 -12.708  -9.962   1.110
  536    HB3  ASN  64           HB3      ASN  64 -12.249 -10.585  -0.470
  537   HD21  ASN  64          HD21      ASN  64  -9.459 -10.210  -0.395
  538   HD22  ASN  64          HD22      ASN  64  -8.823 -11.232   0.836
  539    HA   PRO  65           HA       PRO  65 -10.481  -7.695  -3.918
  540    HB2  PRO  65           HB2      PRO  65  -8.993  -5.522  -3.942
  541    HB3  PRO  65           HB3      PRO  65 -10.684  -5.395  -3.427
  542    HG2  PRO  65           HG2      PRO  65  -8.208  -5.578  -1.737
  543    HG3  PRO  65           HG3      PRO  65  -9.568  -4.461  -1.597
  544    HD2  PRO  65           HD2      PRO  65  -9.332  -6.751  -0.127
  545    HD3  PRO  65           HD3      PRO  65 -10.881  -5.972  -0.514
  546    H    VAL  66           H        VAL  66  -8.588  -7.934  -5.278
  547    HA   VAL  66           HA       VAL  66  -6.158  -8.446  -3.801
  548    HB   VAL  66           HB       VAL  66  -5.541 -10.347  -4.911
  549   HG11  VAL  66          HG11      VAL  66  -7.264 -10.876  -3.321
  550   HG12  VAL  66          HG12      VAL  66  -8.523 -10.612  -4.527
  551   HG13  VAL  66          HG13      VAL  66  -7.402 -11.962  -4.703
  552   HG21  VAL  66          HG21      VAL  66  -7.755  -9.918  -6.931
  553   HG22  VAL  66          HG22      VAL  66  -6.026  -9.698  -7.202
  554   HG23  VAL  66          HG23      VAL  66  -6.670 -11.308  -6.885
  555    H    PHE  67           H        PHE  67  -4.727  -7.242  -4.366
  556    HA   PHE  67           HA       PHE  67  -4.939  -5.449  -6.578
  557    HB2  PHE  67           HB2      PHE  67  -2.770  -5.962  -4.568
  558    HB3  PHE  67           HB3      PHE  67  -2.865  -4.533  -5.595
  559    HD1  PHE  67           HD2      PHE  67  -4.426  -6.336  -2.772
  560    HD2  PHE  67           HD1      PHE  67  -4.247  -2.702  -4.971
  561    HE1  PHE  67           HE2      PHE  67  -5.750  -5.215  -1.026
  562    HE2  PHE  67           HE1      PHE  67  -5.574  -1.579  -3.232
  563    HZ   PHE  67           HZ       PHE  67  -6.313  -2.857  -1.233
  564    H    ASN  68           H        ASN  68  -2.696  -8.012  -5.568
  565    HA   ASN  68           HA       ASN  68  -0.771  -8.787  -6.506
  566    HB2  ASN  68           HB2      ASN  68  -1.148 -10.084  -8.571
  567    HB3  ASN  68           HB3      ASN  68  -2.379 -10.392  -7.355
  568   HD21  ASN  68          HD21      ASN  68  -4.484  -9.682  -7.732
  569   HD22  ASN  68          HD22      ASN  68  -5.034  -9.230  -9.304
  570    H    GLU  69           H        GLU  69  -0.182  -6.426  -6.527
  571    HA   GLU  69           HA       GLU  69   0.233  -5.487  -9.260
  572    HB2  GLU  69           HB2      GLU  69  -1.991  -4.683  -8.164
  573    HB3  GLU  69           HB3      GLU  69  -0.951  -3.613  -7.237
  574    HG2  GLU  69           HG2      GLU  69  -0.526  -2.264  -9.005
  575    HG3  GLU  69           HG3      GLU  69  -0.546  -3.606 -10.159
  576    H    GLN  70           H        GLN  70   2.234  -5.073  -9.411
  577    HA   GLN  70           HA       GLN  70   3.948  -4.255  -7.276
  578    HB2  GLN  70           HB2      GLN  70   4.116  -4.769 -10.159
  579    HB3  GLN  70           HB3      GLN  70   5.334  -3.698  -9.519
  580    HG2  GLN  70           HG2      GLN  70   4.820  -6.564  -8.777
  581    HG3  GLN  70           HG3      GLN  70   6.219  -5.904  -9.625
  582   HE21  GLN  70          HE21      GLN  70   5.912  -3.515  -7.675
  583   HE22  GLN  70          HE22      GLN  70   6.720  -4.111  -6.252
  584    H    PHE  71           H        PHE  71   3.770  -2.198  -6.486
  585    HA   PHE  71           HA       PHE  71   3.689  -0.072  -8.522
  586    HB2  PHE  71           HB2      PHE  71   2.665  -0.121  -5.702
  587    HB3  PHE  71           HB3      PHE  71   2.946   1.387  -6.574
  588    HD1  PHE  71           HD1      PHE  71   2.021   0.960  -9.221
  589    HD2  PHE  71           HD2      PHE  71   0.426  -0.563  -5.581
  590    HE1  PHE  71           HE1      PHE  71  -0.181   0.726 -10.287
  591    HE2  PHE  71           HE2      PHE  71  -1.779  -0.803  -6.642
  592    HZ   PHE  71           HZ       PHE  71  -2.090  -0.055  -9.003
  593    H    THR  72           H        THR  72   5.788   0.166  -8.905
  594    HA   THR  72           HA       THR  72   7.982   0.577  -7.367
  595    HB   THR  72           HB       THR  72   7.036   2.270  -9.695
  596    HG1  THR  72           HG1      THR  72   8.350  -0.186  -9.442
  597   HG21  THR  72          HG21      THR  72   9.392   2.887 -10.000
  598   HG22  THR  72          HG22      THR  72   9.810   2.019  -8.521
  599   HG23  THR  72          HG23      THR  72   8.777   3.447  -8.444
  600    H    PHE  73           H        PHE  73   8.107   1.584  -5.500
  601    HA   PHE  73           HA       PHE  73   7.078   4.265  -5.420
  602    HB2  PHE  73           HB2      PHE  73   6.731   4.015  -3.008
  603    HB3  PHE  73           HB3      PHE  73   5.832   2.800  -3.889
  604    HD1  PHE  73           HD1      PHE  73   6.937   0.476  -4.061
  605    HD2  PHE  73           HD2      PHE  73   8.021   3.417  -1.193
  606    HE1  PHE  73           HE1      PHE  73   7.953  -1.270  -2.664
  607    HE2  PHE  73           HE2      PHE  73   9.034   1.674   0.216
  608    HZ   PHE  73           HZ       PHE  73   8.831  -0.651  -0.376
  609    H    LYS  74           H        LYS  74   8.861   5.532  -5.793
  610    HA   LYS  74           HA       LYS  74  11.376   4.189  -5.435
  611    HB2  LYS  74           HB2      LYS  74  12.107   5.173  -7.296
  612    HB3  LYS  74           HB3      LYS  74  10.422   5.578  -7.550
  613    HG2  LYS  74           HG2      LYS  74  11.466   7.569  -7.953
  614    HG3  LYS  74           HG3      LYS  74  10.988   7.745  -6.254
  615    HD2  LYS  74           HD2      LYS  74  13.227   8.543  -6.442
  616    HD3  LYS  74           HD3      LYS  74  13.326   6.965  -5.662
  617    HE2  LYS  74           HE2      LYS  74  14.041   5.932  -7.700
  618    HE3  LYS  74           HE3      LYS  74  13.741   7.411  -8.613
  619    HZ1  LYS  74           HZ1      LYS  74  16.064   7.256  -8.212
  620    HZ2  LYS  74           HZ2      LYS  74  15.836   6.966  -6.562
  621    HZ3  LYS  74           HZ3      LYS  74  15.470   8.488  -7.207
  622    H    VAL  75           H        VAL  75  12.055   4.295  -3.567
  623    HA   VAL  75           HA       VAL  75  13.554   6.707  -2.920
  624    HB   VAL  75           HB       VAL  75  12.108   6.743  -1.027
  625   HG11  VAL  75          HG11      VAL  75  12.250   3.730  -0.952
  626   HG12  VAL  75          HG12      VAL  75  11.333   4.756   0.152
  627   HG13  VAL  75          HG13      VAL  75  10.892   4.680  -1.553
  628   HG21  VAL  75          HG21      VAL  75  13.420   5.854   0.844
  629   HG22  VAL  75          HG22      VAL  75  14.401   4.932  -0.296
  630   HG23  VAL  75          HG23      VAL  75  14.425   6.695  -0.337
  631    HA   PRO  76           HA       PRO  76  16.698   3.521  -3.652
  632    HB2  PRO  76           HB2      PRO  76  18.118   5.686  -2.106
  633    HB3  PRO  76           HB3      PRO  76  18.716   4.704  -3.460
  634    HG2  PRO  76           HG2      PRO  76  17.887   7.058  -4.084
  635    HG3  PRO  76           HG3      PRO  76  17.153   5.677  -4.969
  636    HD2  PRO  76           HD2      PRO  76  16.041   7.163  -2.574
  637    HD3  PRO  76           HD3      PRO  76  15.249   6.840  -4.140
  638    H    TYR  77           H        TYR  77  17.737   2.033  -2.382
  639    HA   TYR  77           HA       TYR  77  16.305   1.520   0.016
  640    HB2  TYR  77           HB2      TYR  77  17.663  -0.532   0.154
  641    HB3  TYR  77           HB3      TYR  77  16.928  -0.300  -1.433
  642    HD1  TYR  77           HD2      TYR  77  18.426   0.626  -3.299
  643    HD2  TYR  77           HD1      TYR  77  19.963  -0.901   0.358
  644    HE1  TYR  77           HE2      TYR  77  20.614   0.283  -4.365
  645    HE2  TYR  77           HE1      TYR  77  22.152  -1.246  -0.695
  646    HH   TYR  77           HH       TYR  77  23.002  -1.632  -3.050
  647    H    SER  78           H        SER  78  19.539   2.601  -0.726
  648    HA   SER  78           HA       SER  78  20.577   2.812   1.854
  649    HB2  SER  78           HB2      SER  78  21.744   4.868   0.551
  650    HB3  SER  78           HB3      SER  78  22.202   3.182   0.294
  651    HG   SER  78           HG       SER  78  21.228   4.884  -1.486
  652    H    GLU  79           H        GLU  79  18.288   4.812   0.090
  653    HA   GLU  79           HA       GLU  79  18.469   6.973   2.009
  654    HB2  GLU  79           HB2      GLU  79  16.883   6.582  -0.518
  655    HB3  GLU  79           HB3      GLU  79  16.580   7.927   0.574
  656    HG2  GLU  79           HG2      GLU  79  19.036   8.504   0.304
  657    HG3  GLU  79           HG3      GLU  79  19.050   7.348  -1.030
  658    H    LEU  80           H        LEU  80  16.708   4.119   1.455
  659    HA   LEU  80           HA       LEU  80  14.175   4.775   2.420
  660    HB2  LEU  80           HB2      LEU  80  14.116   2.720   1.410
  661    HB3  LEU  80           HB3      LEU  80  15.712   2.279   1.993
  662    HG   LEU  80           HG       LEU  80  13.463   2.374   3.963
  663   HD11  LEU  80          HD11      LEU  80  13.972   0.093   2.062
  664   HD12  LEU  80          HD12      LEU  80  12.920   0.041   3.479
  665   HD13  LEU  80          HD13      LEU  80  12.525   1.101   2.127
  666   HD21  LEU  80          HD21      LEU  80  14.735   0.534   4.968
  667   HD22  LEU  80          HD22      LEU  80  15.900   0.629   3.647
  668   HD23  LEU  80          HD23      LEU  80  15.723   1.982   4.765
  669    H    GLY  81           H        GLY  81  17.128   3.892   4.039
  670    HA2  GLY  81           HA3      GLY  81  16.414   3.428   6.620
  671    HA3  GLY  81           HA2      GLY  81  17.799   4.409   6.161
  672    H    GLY  82           H        GLY  82  16.712   6.697   5.203
  673    HA2  GLY  82           HA3      GLY  82  15.788   8.049   7.534
  674    HA3  GLY  82           HA2      GLY  82  15.917   8.733   5.924
  675    H    LYS  83           H        LYS  83  14.133   6.572   4.867
  676    HA   LYS  83           HA       LYS  83  11.890   8.296   4.813
  677    HB2  LYS  83           HB2      LYS  83  12.669   5.714   3.500
  678    HB3  LYS  83           HB3      LYS  83  11.049   6.358   3.307
  679    HG2  LYS  83           HG2      LYS  83  12.808   6.865   1.512
  680    HG3  LYS  83           HG3      LYS  83  11.766   8.167   2.067
  681    HD2  LYS  83           HD2      LYS  83  13.552   8.997   3.503
  682    HD3  LYS  83           HD3      LYS  83  14.590   7.663   2.999
  683    HE2  LYS  83           HE2      LYS  83  14.621   8.479   0.734
  684    HE3  LYS  83           HE3      LYS  83  13.441   9.729   1.129
  685    HZ1  LYS  83           HZ1      LYS  83  15.061  10.710   2.644
  686    HZ2  LYS  83           HZ2      LYS  83  15.664  10.646   1.062
  687    HZ3  LYS  83           HZ3      LYS  83  16.201   9.528   2.218
  688    H    THR  84           H        THR  84   9.799   7.911   5.438
  689    HA   THR  84           HA       THR  84   9.340   5.551   7.141
  690    HB   THR  84           HB       THR  84   7.693   6.757   8.365
  691    HG1  THR  84           HG1      THR  84   7.091   7.888   6.237
  692   HG21  THR  84          HG21      THR  84   9.986   8.661   7.855
  693   HG22  THR  84          HG22      THR  84   9.979   7.339   9.022
  694   HG23  THR  84          HG23      THR  84   8.893   8.711   9.239
  695    H    LEU  85           H        LEU  85   7.927   4.142   6.352
  696    HA   LEU  85           HA       LEU  85   6.487   4.748   3.935
  697    HB2  LEU  85           HB2      LEU  85   7.674   2.474   5.067
  698    HB3  LEU  85           HB3      LEU  85   5.954   2.141   4.994
  699    HG   LEU  85           HG       LEU  85   7.668   2.986   2.675
  700   HD11  LEU  85          HD11      LEU  85   6.450   0.329   3.390
  701   HD12  LEU  85          HD12      LEU  85   7.350   0.689   1.917
  702   HD13  LEU  85          HD13      LEU  85   8.165   0.738   3.484
  703   HD21  LEU  85          HD21      LEU  85   4.781   2.138   2.808
  704   HD22  LEU  85          HD22      LEU  85   5.378   3.757   2.451
  705   HD23  LEU  85          HD23      LEU  85   5.695   2.434   1.329
  706    H    VAL  86           H        VAL  86   4.470   5.331   3.862
  707    HA   VAL  86           HA       VAL  86   2.654   4.207   5.867
  708    HB   VAL  86           HB       VAL  86   1.167   6.090   5.770
  709   HG11  VAL  86          HG11      VAL  86   2.915   6.208   7.435
  710   HG12  VAL  86          HG12      VAL  86   3.999   6.991   6.284
  711   HG13  VAL  86          HG13      VAL  86   2.546   7.825   6.835
  712   HG21  VAL  86          HG21      VAL  86   1.526   6.796   3.466
  713   HG22  VAL  86          HG22      VAL  86   1.692   8.155   4.578
  714   HG23  VAL  86          HG23      VAL  86   3.128   7.401   3.890
  715    H    MET  87           H        MET  87   0.982   3.158   5.095
  716    HA   MET  87           HA       MET  87   0.633   3.077   2.174
  717    HB2  MET  87           HB2      MET  87  -0.096   0.867   4.111
  718    HB3  MET  87           HB3      MET  87   0.061   0.759   2.364
  719    HG2  MET  87           HG2      MET  87   2.468   1.071   2.547
  720    HG3  MET  87           HG3      MET  87   2.324   1.226   4.296
  721    HE1  MET  87           HE1      MET  87   1.629  -2.654   1.900
  722    HE2  MET  87           HE2      MET  87   0.549  -1.266   1.766
  723    HE3  MET  87           HE3      MET  87   2.217  -1.141   1.212
  724    H    ALA  88           H        ALA  88  -1.518   3.263   1.403
  725    HA   ALA  88           HA       ALA  88  -3.583   3.539   3.463
  726    HB1  ALA  88           HB1      ALA  88  -3.076   5.576   1.298
  727    HB2  ALA  88           HB2      ALA  88  -4.510   5.535   2.339
  728    HB3  ALA  88           HB3      ALA  88  -2.907   5.818   3.037
  729    H    VAL  89           H        VAL  89  -4.799   1.841   2.913
  730    HA   VAL  89           HA       VAL  89  -5.710   1.636   0.160
  731    HB   VAL  89           HB       VAL  89  -6.910   0.253   2.569
  732   HG11  VAL  89          HG11      VAL  89  -6.949  -0.397  -0.377
  733   HG12  VAL  89          HG12      VAL  89  -7.666  -1.379   0.899
  734   HG13  VAL  89          HG13      VAL  89  -8.296   0.234   0.570
  735   HG21  VAL  89          HG21      VAL  89  -4.539  -0.276   2.486
  736   HG22  VAL  89          HG22      VAL  89  -5.495  -1.674   1.997
  737   HG23  VAL  89          HG23      VAL  89  -4.675  -0.697   0.780
  738    H    TYR  90           H        TYR  90  -7.133   3.036  -0.575
  739    HA   TYR  90           HA       TYR  90  -8.842   4.470   1.343
  740    HB2  TYR  90           HB2      TYR  90  -6.909   5.661   0.087
  741    HB3  TYR  90           HB3      TYR  90  -7.916   5.492  -1.340
  742    HD1  TYR  90           HD2      TYR  90 -10.152   6.669  -1.396
  743    HD2  TYR  90           HD1      TYR  90  -7.264   7.360   1.648
  744    HE1  TYR  90           HE2      TYR  90 -11.257   8.794  -0.834
  745    HE2  TYR  90           HE1      TYR  90  -8.356   9.485   2.215
  746    HH   TYR  90           HH       TYR  90 -11.419  10.285   1.226
  747    H    ASP  91           H        ASP  91 -11.038   4.695   0.758
  748    HA   ASP  91           HA       ASP  91 -11.828   2.716  -1.250
  749    HB2  ASP  91           HB2      ASP  91 -12.652   2.764   1.108
  750    HB3  ASP  91           HB3      ASP  91 -13.611   4.182   0.658
  751    H    PHE  92           H        PHE  92 -12.328   3.342  -3.231
  752    HA   PHE  92           HA       PHE  92 -12.860   6.150  -3.757
  753    HB2  PHE  92           HB2      PHE  92 -11.377   4.743  -5.243
  754    HB3  PHE  92           HB3      PHE  92 -12.816   3.853  -5.729
  755    HD1  PHE  92           HD2      PHE  92 -11.401   7.293  -5.627
  756    HD2  PHE  92           HD1      PHE  92 -14.087   4.584  -7.510
  757    HE1  PHE  92           HE2      PHE  92 -11.848   8.961  -7.382
  758    HE2  PHE  92           HE1      PHE  92 -14.542   6.247  -9.264
  759    HZ   PHE  92           HZ       PHE  92 -13.379   8.451  -9.198
  760    H    ASP  93           H        ASP  93 -14.849   6.630  -3.017
  761    HA   ASP  93           HA       ASP  93 -17.026   4.806  -3.686
  762    HB2  ASP  93           HB2      ASP  93 -16.603   6.667  -1.391
  763    HB3  ASP  93           HB3      ASP  93 -18.218   6.019  -1.771
  764    H    ARG  94           H        ARG  94 -15.808   7.242  -5.142
  765    HA   ARG  94           HA       ARG  94 -16.565   8.083  -7.099
  766    HB2  ARG  94           HB2      ARG  94 -18.857   6.263  -6.431
  767    HB3  ARG  94           HB3      ARG  94 -18.752   7.144  -7.948
  768    HG2  ARG  94           HG2      ARG  94 -17.282   5.703  -8.801
  769    HG3  ARG  94           HG3      ARG  94 -16.316   5.685  -7.325
  770    HD2  ARG  94           HD2      ARG  94 -18.941   4.248  -7.441
  771    HD3  ARG  94           HD3      ARG  94 -17.490   3.507  -8.115
  772    HE   ARG  94           HE       ARG  94 -16.570   4.049  -5.730
  773   HH11  ARG  94          HH12      ARG  94 -19.798   2.902  -6.509
  774   HH12  ARG  94          HH11      ARG  94 -19.975   2.042  -5.004
  775   HH21  ARG  94          HH22      ARG  94 -16.824   2.937  -3.765
  776   HH22  ARG  94          HH21      ARG  94 -18.300   2.087  -3.451
  777    H    PHE  95           H        PHE  95 -18.025   9.145  -4.301
  778    HA   PHE  95           HA       PHE  95 -19.501  11.174  -5.817
  779    HB2  PHE  95           HB2      PHE  95 -20.707   9.542  -3.574
  780    HB3  PHE  95           HB3      PHE  95 -21.432  11.000  -4.239
  781    HD1  PHE  95           HD1      PHE  95 -22.124  11.000  -6.665
  782    HD2  PHE  95           HD2      PHE  95 -21.037   7.451  -4.582
  783    HE1  PHE  95           HE1      PHE  95 -23.272   9.651  -8.372
  784    HE2  PHE  95           HE2      PHE  95 -22.182   6.096  -6.287
  785    HZ   PHE  95           HZ       PHE  95 -23.300   7.197  -8.186
  786    H    SER  96           H        SER  96 -19.450  10.397  -2.346
  787    HA   SER  96           HA       SER  96 -18.684  13.184  -1.841
  788    HB2  SER  96           HB2      SER  96 -19.129  12.627   0.538
  789    HB3  SER  96           HB3      SER  96 -20.512  12.239  -0.485
  790    HG   SER  96           HG       SER  96 -18.868  10.579   0.989
  791    H    LYS  97           H        LYS  97 -16.818  13.531  -0.183
  792    HA   LYS  97           HA       LYS  97 -14.675  11.829  -0.981
  793    HB2  LYS  97           HB2      LYS  97 -14.788  13.946   1.176
  794    HB3  LYS  97           HB3      LYS  97 -13.330  13.069   0.727
  795    HG2  LYS  97           HG2      LYS  97 -13.703  13.925  -1.626
  796    HG3  LYS  97           HG3      LYS  97 -14.910  15.009  -0.932
  797    HD2  LYS  97           HD2      LYS  97 -12.789  16.158  -1.146
  798    HD3  LYS  97           HD3      LYS  97 -13.179  15.935   0.560
  799    HE2  LYS  97           HE2      LYS  97 -11.648  14.098   0.733
  800    HE3  LYS  97           HE3      LYS  97 -11.371  14.103  -1.008
  801    HZ1  LYS  97           HZ1      LYS  97  -9.568  15.162   0.232
  802    HZ2  LYS  97           HZ2      LYS  97 -10.648  16.321   0.833
  803    HZ3  LYS  97           HZ3      LYS  97 -10.322  16.246  -0.829
  804    H    HIS  98           H        HIS  98 -14.601   9.906  -0.379
  805    HA   HIS  98           HA       HIS  98 -15.739   9.039   2.084
  806    HB2  HIS  98           HB2      HIS  98 -15.272   7.772  -0.461
  807    HB3  HIS  98           HB3      HIS  98 -14.854   6.748   0.922
  808    HD1  HIS  98           HD1      HIS  98 -17.767   8.616  -0.574
  809    HD2  HIS  98           HD2      HIS  98 -16.979   5.935   2.493
  810    HE1  HIS  98           HE1      HIS  98 -20.016   7.886   0.279
  811    HE2  HIS  98           HE2      HIS  98 -19.505   6.113   1.985
  812    H    ASP  99           H        ASP  99 -14.853   7.801   3.574
  813    HA   ASP  99           HA       ASP  99 -12.377   8.868   4.461
  814    HB2  ASP  99           HB2      ASP  99 -13.844   6.513   5.658
  815    HB3  ASP  99           HB3      ASP  99 -12.819   7.683   6.481
  816    H    ILE 100           H        ILE 100 -10.382   7.916   4.460
  817    HA   ILE 100           HA       ILE 100  -9.821   5.722   2.835
  818    HB   ILE 100           HB       ILE 100  -8.071   7.272   3.420
  819   HG12  ILE 100          HG12      ILE 100  -7.659   4.590   4.704
  820   HG13  ILE 100          HG13      ILE 100  -7.259   5.046   3.057
  821   HG21  ILE 100          HG21      ILE 100  -8.542   6.484   6.288
  822   HG22  ILE 100          HG22      ILE 100  -7.251   7.542   5.714
  823   HG23  ILE 100          HG23      ILE 100  -8.937   8.035   5.548
  824   HD11  ILE 100          HD11      ILE 100  -5.956   6.147   5.536
  825   HD12  ILE 100          HD12      ILE 100  -5.277   4.913   4.475
  826   HD13  ILE 100          HD13      ILE 100  -5.536   6.549   3.872
  827    H    ILE 101           H        ILE 101 -10.038   3.619   3.222
  828    HA   ILE 101           HA       ILE 101 -11.594   2.813   5.448
  829    HB   ILE 101           HB       ILE 101 -11.045   0.439   4.455
  830   HG12  ILE 101          HG12      ILE 101 -10.521   2.212   2.070
  831   HG13  ILE 101          HG13      ILE 101  -9.255   1.376   2.963
  832   HG21  ILE 101          HG21      ILE 101 -12.922   0.708   2.926
  833   HG22  ILE 101          HG22      ILE 101 -13.219   1.528   4.458
  834   HG23  ILE 101          HG23      ILE 101 -12.763   2.462   3.033
  835   HD11  ILE 101          HD11      ILE 101 -10.239  -0.765   2.378
  836   HD12  ILE 101          HD12      ILE 101 -11.557   0.054   1.540
  837   HD13  ILE 101          HD13      ILE 101  -9.908   0.184   0.928
  838    H    GLY 102           H        GLY 102  -8.250   2.295   4.435
  839    HA2  GLY 102           HA3      GLY 102  -7.487   2.245   7.177
  840    HA3  GLY 102           HA2      GLY 102  -7.401   0.648   6.457
  841    H    GLU 103           H        GLU 103  -5.093   0.882   7.038
  842    HA   GLU 103           HA       GLU 103  -3.400   2.366   5.313
  843    HB2  GLU 103           HB2      GLU 103  -4.551   4.244   6.380
  844    HB3  GLU 103           HB3      GLU 103  -4.233   3.573   7.967
  845    HG2  GLU 103           HG2      GLU 103  -1.838   3.957   7.632
  846    HG3  GLU 103           HG3      GLU 103  -2.187   4.677   6.060
  847    H    PHE 104           H        PHE 104  -1.176   2.152   6.055
  848    HA   PHE 104           HA       PHE 104  -0.815   0.918   8.696
  849    HB2  PHE 104           HB2      PHE 104  -0.753  -0.936   7.022
  850    HB3  PHE 104           HB3      PHE 104   0.678  -0.171   6.320
  851    HD1  PHE 104           HD1      PHE 104  -0.644  -1.406   9.582
  852    HD2  PHE 104           HD2      PHE 104   2.764  -0.672   7.144
  853    HE1  PHE 104           HE1      PHE 104   0.781  -2.555  11.224
  854    HE2  PHE 104           HE2      PHE 104   4.193  -1.811   8.788
  855    HZ   PHE 104           HZ       PHE 104   3.172  -2.575  10.972
  856    H    LYS 105           H        LYS 105   0.987   1.610   9.761
  857    HA   LYS 105           HA       LYS 105   2.810   3.389   8.263
  858    HB2  LYS 105           HB2      LYS 105   1.541   3.695  10.910
  859    HB3  LYS 105           HB3      LYS 105   3.250   4.092  10.855
  860    HG2  LYS 105           HG2      LYS 105   2.368   6.129  10.386
  861    HG3  LYS 105           HG3      LYS 105   2.510   5.490   8.749
  862    HD2  LYS 105           HD2      LYS 105   0.341   6.573   9.150
  863    HD3  LYS 105           HD3      LYS 105   0.169   4.858   8.767
  864    HE2  LYS 105           HE2      LYS 105  -0.551   4.321  10.844
  865    HE3  LYS 105           HE3      LYS 105   0.420   5.568  11.626
  866    HZ1  LYS 105           HZ1      LYS 105  -1.959   6.015  11.778
  867    HZ2  LYS 105           HZ2      LYS 105  -2.080   6.056  10.085
  868    HZ3  LYS 105           HZ3      LYS 105  -1.162   7.225  10.901
  869    H    VAL 106           H        VAL 106   4.774   2.615   8.020
  870    HA   VAL 106           HA       VAL 106   6.045   1.196  10.187
  871    HB   VAL 106           HB       VAL 106   5.097  -0.674   8.961
  872   HG11  VAL 106          HG11      VAL 106   4.720   0.347   6.798
  873   HG12  VAL 106          HG12      VAL 106   6.458   0.454   6.518
  874   HG13  VAL 106          HG13      VAL 106   5.677  -1.124   6.614
  875   HG21  VAL 106          HG21      VAL 106   8.047  -0.382   8.411
  876   HG22  VAL 106          HG22      VAL 106   7.314  -0.979   9.901
  877   HG23  VAL 106          HG23      VAL 106   7.145  -1.898   8.406
  878    HA   PRO 107           HA       PRO 107   8.968   4.100   8.460
  879    HB2  PRO 107           HB2      PRO 107  10.984   3.486  10.212
  880    HB3  PRO 107           HB3      PRO 107   9.693   4.646  10.558
  881    HG2  PRO 107           HG2      PRO 107   9.935   1.785  11.359
  882    HG3  PRO 107           HG3      PRO 107   9.371   3.162  12.323
  883    HD2  PRO 107           HD2      PRO 107   7.707   1.384  11.194
  884    HD3  PRO 107           HD3      PRO 107   7.264   3.095  11.355
  885    H    MET 108           H        MET 108  10.300   3.727   6.878
  886    HA   MET 108           HA       MET 108  10.465   1.169   5.766
  887    HB2  MET 108           HB2      MET 108  12.060   3.628   5.060
  888    HB3  MET 108           HB3      MET 108  11.855   2.207   4.041
  889    HG2  MET 108           HG2      MET 108   9.306   2.785   4.379
  890    HG3  MET 108           HG3      MET 108   9.962   4.393   4.676
  891    HE1  MET 108           HE1      MET 108  11.236   1.538   2.343
  892    HE2  MET 108           HE2      MET 108   9.486   1.498   2.130
  893    HE3  MET 108           HE3      MET 108  10.525   2.004   0.798
  894    H    ASN 109           H        ASN 109  12.422   2.918   7.899
  895    HA   ASN 109           HA       ASN 109  14.900   1.596   7.464
  896    HB2  ASN 109           HB2      ASN 109  15.210   2.381   9.990
  897    HB3  ASN 109           HB3      ASN 109  15.299   3.503   8.639
  898   HD21  ASN 109          HD21      ASN 109  13.625   4.955   8.280
  899   HD22  ASN 109          HD22      ASN 109  12.432   5.284   9.498
  900    H    THR 110           H        THR 110  12.010   0.534   8.891
  901    HA   THR 110           HA       THR 110  13.259  -1.501  10.553
  902    HB   THR 110           HB       THR 110  10.317  -1.257   9.893
  903    HG1  THR 110           HG1      THR 110  11.918   0.308  11.579
  904   HG21  THR 110          HG21      THR 110  10.027  -2.351  12.066
  905   HG22  THR 110          HG22      THR 110  11.778  -2.400  12.277
  906   HG23  THR 110          HG23      THR 110  11.018  -3.329  10.984
  907    H    VAL 111           H        VAL 111  12.137  -0.949   7.407
  908    HA   VAL 111           HA       VAL 111  11.604  -3.696   6.738
  909    HB   VAL 111           HB       VAL 111  11.863  -1.274   4.946
  910   HG11  VAL 111          HG11      VAL 111  12.231  -3.362   3.738
  911   HG12  VAL 111          HG12      VAL 111  10.711  -4.000   4.367
  912   HG13  VAL 111          HG13      VAL 111  10.701  -2.619   3.273
  913   HG21  VAL 111          HG21      VAL 111   9.396  -2.609   6.055
  914   HG22  VAL 111          HG22      VAL 111  10.032  -1.038   6.542
  915   HG23  VAL 111          HG23      VAL 111   9.418  -1.272   4.905
  916    H    ASP 112           H        ASP 112  13.193  -5.066   6.449
  917    HA   ASP 112           HA       ASP 112  15.889  -4.253   5.921
  918    HB2  ASP 112           HB2      ASP 112  15.342  -6.218   7.330
  919    HB3  ASP 112           HB3      ASP 112  14.727  -7.043   5.901
  920    H    PHE 113           H        PHE 113  16.460  -3.561   4.004
  921    HA   PHE 113           HA       PHE 113  15.262  -4.629   1.566
  922    HB2  PHE 113           HB2      PHE 113  16.545  -2.665   0.561
  923    HB3  PHE 113           HB3      PHE 113  15.291  -2.233   1.722
  924    HD1  PHE 113           HD1      PHE 113  15.962  -1.597   4.061
  925    HD2  PHE 113           HD2      PHE 113  18.813  -2.102   0.946
  926    HE1  PHE 113           HE1      PHE 113  17.606  -0.314   5.361
  927    HE2  PHE 113           HE2      PHE 113  20.460  -0.822   2.248
  928    HZ   PHE 113           HZ       PHE 113  19.876  -0.008   4.511
  929    H    GLY 114           H        GLY 114  16.743  -6.614   2.476
  930    HA2  GLY 114           HA3      GLY 114  19.425  -6.448   1.366
  931    HA3  GLY 114           HA2      GLY 114  18.687  -7.864   2.111
  932    H    HIS 115           H        HIS 115  16.513  -8.334   0.759
  933    HA   HIS 115           HA       HIS 115  17.259  -8.576  -2.055
  934    HB2  HIS 115           HB2      HIS 115  16.090 -10.750  -0.297
  935    HB3  HIS 115           HB3      HIS 115  16.123 -10.828  -2.052
  936    HD1  HIS 115           HD1      HIS 115  18.161 -11.800  -3.092
  937    HD2  HIS 115           HD2      HIS 115  18.745 -10.773   0.899
  938    HE1  HIS 115           HE1      HIS 115  20.441 -12.682  -2.488
  939    HE2  HIS 115           HE2      HIS 115  20.690 -12.208  -0.021
  940    H    VAL 116           H        VAL 116  14.520 -10.151  -0.913
  941    HA   VAL 116           HA       VAL 116  12.751  -7.988  -1.818
  942    HB   VAL 116           HB       VAL 116  12.210 -10.969  -1.931
  943   HG11  VAL 116          HG11      VAL 116  10.676  -8.638  -3.067
  944   HG12  VAL 116          HG12      VAL 116  10.285 -10.341  -3.305
  945   HG13  VAL 116          HG13      VAL 116  10.199  -9.634  -1.692
  946   HG21  VAL 116          HG21      VAL 116  13.954 -10.418  -3.523
  947   HG22  VAL 116          HG22      VAL 116  12.448 -10.767  -4.371
  948   HG23  VAL 116          HG23      VAL 116  12.981  -9.098  -4.170
  949    H    THR 117           H        THR 117  11.513  -7.212  -0.215
  950    HA   THR 117           HA       THR 117  11.337  -8.642   2.294
  951    HB   THR 117           HB       THR 117  10.115  -5.996   1.476
  952    HG1  THR 117           HG1      THR 117  12.604  -6.805   2.398
  953   HG21  THR 117          HG21      THR 117   8.963  -7.040   3.386
  954   HG22  THR 117          HG22      THR 117   9.873  -5.614   3.885
  955   HG23  THR 117          HG23      THR 117  10.513  -7.224   4.213
  956    H    GLU 118           H        GLU 118  10.078 -10.280   2.200
  957    HA   GLU 118           HA       GLU 118   7.416 -10.015   0.961
  958    HB2  GLU 118           HB2      GLU 118   7.616 -12.591   0.829
  959    HB3  GLU 118           HB3      GLU 118   8.516 -11.627  -0.334
  960    HG2  GLU 118           HG2      GLU 118  10.524 -11.862   1.090
  961    HG3  GLU 118           HG3      GLU 118   9.605 -12.924   2.158
  962    H    GLU 119           H        GLU 119   5.906  -9.795   2.420
  963    HA   GLU 119           HA       GLU 119   5.902 -11.494   4.737
  964    HB2  GLU 119           HB2      GLU 119   5.782  -9.446   6.258
  965    HB3  GLU 119           HB3      GLU 119   7.373  -9.957   5.697
  966    HG2  GLU 119           HG2      GLU 119   7.386  -8.230   4.014
  967    HG3  GLU 119           HG3      GLU 119   5.743  -7.760   4.439
  968    H    TRP 120           H        TRP 120   4.125 -11.126   6.062
  969    HA   TRP 120           HA       TRP 120   1.778 -10.321   4.540
  970    HB2  TRP 120           HB2      TRP 120   1.701 -11.509   7.306
  971    HB3  TRP 120           HB3      TRP 120   0.529 -11.669   6.001
  972    HD1  TRP 120           HD1      TRP 120   2.383 -13.959   7.762
  973    HE1  TRP 120           HE1      TRP 120   3.397 -15.868   6.357
  974    HE3  TRP 120           HE3      TRP 120   2.061 -11.823   3.134
  975    HZ2  TRP 120           HZ2      TRP 120   3.980 -16.385   3.647
  976    HZ3  TRP 120           HZ3      TRP 120   2.859 -13.073   1.188
  977    HH2  TRP 120           HH2      TRP 120   3.808 -15.319   1.437
  978    H    ARG 121           H        ARG 121   1.322  -8.196   4.706
  979    HA   ARG 121           HA       ARG 121   2.093  -6.894   7.225
  980    HB2  ARG 121           HB2      ARG 121   3.350  -6.180   5.247
  981    HB3  ARG 121           HB3      ARG 121   1.857  -5.753   4.431
  982    HG2  ARG 121           HG2      ARG 121   3.044  -3.801   5.332
  983    HG3  ARG 121           HG3      ARG 121   1.439  -3.995   6.039
  984    HD2  ARG 121           HD2      ARG 121   2.949  -3.445   7.802
  985    HD3  ARG 121           HD3      ARG 121   2.509  -5.140   7.977
  986    HE   ARG 121           HE       ARG 121   4.872  -5.068   6.506
  987   HH11  ARG 121          HH12      ARG 121   3.742  -4.289   9.728
  988   HH12  ARG 121          HH11      ARG 121   5.312  -4.424  10.456
  989   HH21  ARG 121          HH22      ARG 121   6.923  -5.311   7.458
  990   HH22  ARG 121          HH21      ARG 121   7.126  -5.007   9.172
  991    H    ASP 122           H        ASP 122   0.623  -5.240   8.078
  992    HA   ASP 122           HA       ASP 122  -2.059  -6.402   7.807
  993    HB2  ASP 122           HB2      ASP 122  -0.665  -5.071  10.162
  994    HB3  ASP 122           HB3      ASP 122  -2.377  -5.478  10.144
  995    H    LEU 123           H        LEU 123  -3.583  -5.149   7.208
  996    HA   LEU 123           HA       LEU 123  -3.064  -2.314   7.020
  997    HB2  LEU 123           HB2      LEU 123  -5.131  -4.124   5.804
  998    HB3  LEU 123           HB3      LEU 123  -5.144  -2.375   5.621
  999    HG   LEU 123           HG       LEU 123  -2.870  -4.169   4.779
 1000   HD11  LEU 123          HD11      LEU 123  -3.541  -3.805   2.514
 1001   HD12  LEU 123          HD12      LEU 123  -4.910  -4.464   3.413
 1002   HD13  LEU 123          HD13      LEU 123  -4.859  -2.742   3.030
 1003   HD21  LEU 123          HD21      LEU 123  -1.983  -2.174   3.705
 1004   HD22  LEU 123          HD22      LEU 123  -3.341  -1.224   4.313
 1005   HD23  LEU 123          HD23      LEU 123  -2.173  -1.915   5.443
 1006    H    GLN 124           H        GLN 124  -3.868  -0.984   8.491
 1007    HA   GLN 124           HA       GLN 124  -5.827  -2.006  10.390
 1008    HB2  GLN 124           HB2      GLN 124  -5.028  -0.299  11.937
 1009    HB3  GLN 124           HB3      GLN 124  -3.666  -1.253  11.370
 1010    HG2  GLN 124           HG2      GLN 124  -2.951   0.473   9.919
 1011    HG3  GLN 124           HG3      GLN 124  -4.434   1.386  10.164
 1012   HE21  GLN 124          HE21      GLN 124  -3.410   3.211  10.855
 1013   HE22  GLN 124          HE22      GLN 124  -2.599   3.326  12.378
 1014    H    SER 125           H        SER 125  -7.753  -0.920  10.575
 1015    HA   SER 125           HA       SER 125  -8.461   0.955   8.563
 1016    HB2  SER 125           HB2      SER 125 -10.057  -0.712   9.520
 1017    HB3  SER 125           HB3      SER 125 -10.018   0.175  11.043
 1018    HG   SER 125           HG       SER 125 -10.733   1.401   8.585
 1019    H    ALA 126           H        ALA 126  -7.701   2.984   8.642
 1020    HA   ALA 126           HA       ALA 126  -7.681   4.371  11.218
 1021    HB1  ALA 126           HB1      ALA 126  -6.522   5.214   8.560
 1022    HB2  ALA 126           HB2      ALA 126  -6.359   6.083  10.086
 1023    HB3  ALA 126           HB3      ALA 126  -5.622   4.494   9.895
 1024    H    GLU 127           H        GLU 127  -8.933   6.156  11.559
 1025    HA   GLU 127           HA       GLU 127 -11.090   6.569   9.626
 1026    HB2  GLU 127           HB2      GLU 127 -10.908   7.325  12.550
 1027    HB3  GLU 127           HB3      GLU 127 -12.291   7.652  11.512
 1028    HG2  GLU 127           HG2      GLU 127 -12.553   5.229  11.148
 1029    HG3  GLU 127           HG3      GLU 127 -11.224   4.940  12.268
 1030    H    LYS 128           H        LYS 128  -9.813   7.826   8.232
 1031    HA   LYS 128           HA       LYS 128  -9.042  10.478   9.249
 1032    HB2  LYS 128           HB2      LYS 128  -7.425   8.676   8.055
 1033    HB3  LYS 128           HB3      LYS 128  -8.040   9.492   6.629
 1034    HG2  LYS 128           HG2      LYS 128  -7.312  11.657   7.745
 1035    HG3  LYS 128           HG3      LYS 128  -6.432  10.637   8.885
 1036    HD2  LYS 128           HD2      LYS 128  -6.041  10.844   5.904
 1037    HD3  LYS 128           HD3      LYS 128  -4.897  11.274   7.173
 1038    HE2  LYS 128           HE2      LYS 128  -5.879   8.481   6.583
 1039    HE3  LYS 128           HE3      LYS 128  -4.342   9.149   6.041
 1040    HZ1  LYS 128           HZ1      LYS 128  -5.183   8.591   8.836
 1041    HZ2  LYS 128           HZ2      LYS 128  -3.805   9.498   8.449
 1042    HZ3  LYS 128           HZ3      LYS 128  -3.912   7.873   7.967
  Start of MODEL   16
    1    H1   GLU   1           H1       GLU   1  -8.841   0.560  15.581
    2    H2   GLU   1           H2       GLU   1  -7.894  -0.843  15.659
    3    H3   GLU   1           H3       GLU   1  -9.589  -0.963  15.690
    4    HA   GLU   1           HA       GLU   1  -9.706  -0.060  13.455
    5    HB2  GLU   1           HB2      GLU   1  -7.645   0.049  12.112
    6    HB3  GLU   1           HB3      GLU   1  -7.653   1.217  13.415
    7    HG2  GLU   1           HG2      GLU   1  -6.264  -1.426  13.657
    8    HG3  GLU   1           HG3      GLU   1  -5.487  -0.013  12.942
    9    H    LYS   2           H        LYS   2  -9.255  -1.460  11.480
   10    HA   LYS   2           HA       LYS   2  -8.383  -4.077  11.643
   11    HB2  LYS   2           HB2      LYS   2 -10.838  -5.085  11.668
   12    HB3  LYS   2           HB3      LYS   2  -9.930  -4.857  13.150
   13    HG2  LYS   2           HG2      LYS   2 -12.007  -4.032  13.700
   14    HG3  LYS   2           HG3      LYS   2 -11.134  -2.577  13.276
   15    HD2  LYS   2           HD2      LYS   2 -13.402  -2.581  12.351
   16    HD3  LYS   2           HD3      LYS   2 -12.180  -2.561  11.081
   17    HE2  LYS   2           HE2      LYS   2 -13.920  -4.090  10.455
   18    HE3  LYS   2           HE3      LYS   2 -12.469  -5.012  10.832
   19    HZ1  LYS   2           HZ1      LYS   2 -13.493  -5.305  13.119
   20    HZ2  LYS   2           HZ2      LYS   2 -14.215  -6.152  11.840
   21    HZ3  LYS   2           HZ3      LYS   2 -14.942  -4.740  12.434
   22    H    LEU   3           H        LEU   3  -7.800  -3.257   9.611
   23    HA   LEU   3           HA       LEU   3  -9.851  -2.878   7.681
   24    HB2  LEU   3           HB2      LEU   3  -7.761  -1.450   7.907
   25    HB3  LEU   3           HB3      LEU   3  -6.891  -2.799   7.206
   26    HG   LEU   3           HG       LEU   3  -7.629  -0.843   5.701
   27   HD11  LEU   3          HD11      LEU   3  -7.902  -2.337   3.814
   28   HD12  LEU   3          HD12      LEU   3  -6.645  -2.926   4.903
   29   HD13  LEU   3          HD13      LEU   3  -8.238  -3.680   4.910
   30   HD21  LEU   3          HD21      LEU   3  -9.854  -1.085   4.756
   31   HD22  LEU   3          HD22      LEU   3 -10.195  -2.403   5.881
   32   HD23  LEU   3          HD23      LEU   3  -9.923  -0.769   6.493
   33    H    GLY   4           H        GLY   4  -8.150  -5.409   8.996
   34    HA2  GLY   4           HA3      GLY   4  -7.998  -7.639   8.213
   35    HA3  GLY   4           HA2      GLY   4  -8.358  -7.063   6.584
   36    H    LYS   5           H        LYS   5  -6.409  -8.237   5.835
   37    HA   LYS   5           HA       LYS   5  -3.994  -6.693   6.473
   38    HB2  LYS   5           HB2      LYS   5  -4.053  -9.718   6.434
   39    HB3  LYS   5           HB3      LYS   5  -2.653  -8.704   6.734
   40    HG2  LYS   5           HG2      LYS   5  -3.672  -7.898   8.801
   41    HG3  LYS   5           HG3      LYS   5  -5.082  -8.916   8.499
   42    HD2  LYS   5           HD2      LYS   5  -3.654 -10.049  10.062
   43    HD3  LYS   5           HD3      LYS   5  -3.575 -10.899   8.519
   44    HE2  LYS   5           HE2      LYS   5  -1.468  -9.756   8.005
   45    HE3  LYS   5           HE3      LYS   5  -1.547  -8.918   9.554
   46    HZ1  LYS   5           HZ1      LYS   5  -1.595 -11.220  10.574
   47    HZ2  LYS   5           HZ2      LYS   5  -0.125 -10.725   9.900
   48    HZ3  LYS   5           HZ3      LYS   5  -1.125 -11.809   9.054
   49    H    LEU   6           H        LEU   6  -2.253  -7.047   4.954
   50    HA   LEU   6           HA       LEU   6  -3.163  -8.021   2.341
   51    HB2  LEU   6           HB2      LEU   6  -2.956  -5.925   1.523
   52    HB3  LEU   6           HB3      LEU   6  -2.595  -5.381   3.143
   53    HG   LEU   6           HG       LEU   6  -0.285  -6.393   1.638
   54   HD11  LEU   6          HD11      LEU   6  -0.028  -4.523   0.249
   55   HD12  LEU   6          HD12      LEU   6  -1.689  -5.050  -0.015
   56   HD13  LEU   6          HD13      LEU   6  -1.368  -3.647   1.019
   57   HD21  LEU   6          HD21      LEU   6   0.760  -4.459   2.725
   58   HD22  LEU   6          HD22      LEU   6  -0.823  -3.918   3.301
   59   HD23  LEU   6          HD23      LEU   6  -0.127  -5.427   3.905
   60    H    GLN   7           H        GLN   7  -1.989  -9.843   2.100
   61    HA   GLN   7           HA       GLN   7   0.676  -9.817   3.325
   62    HB2  GLN   7           HB2      GLN   7   0.614 -12.228   3.338
   63    HB3  GLN   7           HB3      GLN   7  -0.861 -11.608   4.052
   64    HG2  GLN   7           HG2      GLN   7  -0.635 -12.632   1.230
   65    HG3  GLN   7           HG3      GLN   7  -1.168 -13.593   2.605
   66   HE21  GLN   7          HE21      GLN   7  -1.937 -11.019   0.440
   67   HE22  GLN   7          HE22      GLN   7  -3.647 -10.955   0.781
   68    H    TYR   8           H        TYR   8   2.268  -9.177   1.872
   69    HA   TYR   8           HA       TYR   8   2.765 -11.202   0.014
   70    HB2  TYR   8           HB2      TYR   8   1.279  -9.442  -1.218
   71    HB3  TYR   8           HB3      TYR   8   2.885  -8.879  -1.680
   72    HD1  TYR   8           HD2      TYR   8   1.693 -12.368  -0.969
   73    HD2  TYR   8           HD1      TYR   8   3.217  -9.631  -3.843
   74    HE1  TYR   8           HE2      TYR   8   1.892 -14.197  -2.603
   75    HE2  TYR   8           HE1      TYR   8   3.414 -11.445  -5.483
   76    HH   TYR   8           HH       TYR   8   1.943 -14.420  -5.122
   77    H    SER   9           H        SER   9   4.467  -9.605  -1.790
   78    HA   SER   9           HA       SER   9   6.867  -9.683  -0.104
   79    HB2  SER   9           HB2      SER   9   7.910 -10.981  -2.103
   80    HB3  SER   9           HB3      SER   9   6.931 -11.863  -0.936
   81    HG   SER   9           HG       SER   9   5.935 -10.795  -3.374
   82    H    LEU  10           H        LEU  10   7.862  -7.922  -0.378
   83    HA   LEU  10           HA       LEU  10   7.783  -6.416  -2.873
   84    HB2  LEU  10           HB2      LEU  10   8.096  -5.091  -0.233
   85    HB3  LEU  10           HB3      LEU  10   7.231  -4.547  -1.660
   86    HG   LEU  10           HG       LEU  10   6.274  -6.633   0.313
   87   HD11  LEU  10          HD11      LEU  10   5.339  -3.854  -0.324
   88   HD12  LEU  10          HD12      LEU  10   4.489  -5.006   0.732
   89   HD13  LEU  10          HD13      LEU  10   6.094  -4.408   1.186
   90   HD21  LEU  10          HD21      LEU  10   4.854  -5.500  -2.093
   91   HD22  LEU  10          HD22      LEU  10   5.495  -7.137  -1.955
   92   HD23  LEU  10          HD23      LEU  10   4.177  -6.617  -0.907
   93    H    ASP  11           H        ASP  11   9.735  -5.633  -3.617
   94    HA   ASP  11           HA       ASP  11  12.158  -6.205  -2.036
   95    HB2  ASP  11           HB2      ASP  11  13.224  -7.123  -4.073
   96    HB3  ASP  11           HB3      ASP  11  11.832  -8.076  -3.571
   97    H    TYR  12           H        TYR  12  14.149  -5.227  -3.454
   98    HA   TYR  12           HA       TYR  12  13.270  -2.589  -4.554
   99    HB2  TYR  12           HB2      TYR  12  15.109  -1.522  -3.558
  100    HB3  TYR  12           HB3      TYR  12  14.505  -2.575  -2.287
  101    HD1  TYR  12           HD1      TYR  12  15.654  -4.929  -2.152
  102    HD2  TYR  12           HD2      TYR  12  17.373  -1.530  -4.042
  103    HE1  TYR  12           HE1      TYR  12  17.887  -5.917  -1.877
  104    HE2  TYR  12           HE2      TYR  12  19.610  -2.509  -3.774
  105    HH   TYR  12           HH       TYR  12  20.767  -4.122  -2.442
  106    H    ASP  13           H        ASP  13  13.837  -2.163  -6.545
  107    HA   ASP  13           HA       ASP  13  16.069  -3.713  -7.696
  108    HB2  ASP  13           HB2      ASP  13  13.926  -3.568  -9.032
  109    HB3  ASP  13           HB3      ASP  13  14.191  -1.829  -9.153
  110    H    PHE  14           H        PHE  14  18.031  -2.651  -7.925
  111    HA   PHE  14           HA       PHE  14  17.896  -0.053  -6.642
  112    HB2  PHE  14           HB2      PHE  14  20.300  -0.300  -6.193
  113    HB3  PHE  14           HB3      PHE  14  19.340  -1.616  -5.536
  114    HD1  PHE  14           HD1      PHE  14  19.509  -3.854  -6.444
  115    HD2  PHE  14           HD2      PHE  14  21.873  -0.661  -7.965
  116    HE1  PHE  14           HE1      PHE  14  20.998  -5.481  -7.535
  117    HE2  PHE  14           HE2      PHE  14  23.361  -2.277  -9.062
  118    HZ   PHE  14           HZ       PHE  14  22.927  -4.689  -8.848
  119    H    GLN  15           H        GLN  15  18.626  -1.315  -9.857
  120    HA   GLN  15           HA       GLN  15  19.992   1.195 -10.376
  121    HB2  GLN  15           HB2      GLN  15  20.274   0.324 -12.646
  122    HB3  GLN  15           HB3      GLN  15  20.887  -0.773 -11.433
  123    HG2  GLN  15           HG2      GLN  15  19.828  -2.122 -13.035
  124    HG3  GLN  15           HG3      GLN  15  18.713  -2.049 -11.675
  125   HE21  GLN  15          HE21      GLN  15  16.709  -1.175 -11.953
  126   HE22  GLN  15          HE22      GLN  15  16.126  -0.536 -13.460
  127    H    ASN  16           H        ASN  16  16.644   0.394 -10.270
  128    HA   ASN  16           HA       ASN  16  16.406   2.984 -11.593
  129    HB2  ASN  16           HB2      ASN  16  13.925   2.508 -11.191
  130    HB3  ASN  16           HB3      ASN  16  14.733   1.585 -12.441
  131   HD21  ASN  16          HD21      ASN  16  13.229  -0.083 -12.303
  132   HD22  ASN  16          HD22      ASN  16  13.191  -1.162 -10.952
  133    H    ASN  17           H        ASN  17  16.943   1.471  -8.791
  134    HA   ASN  17           HA       ASN  17  17.187   1.950  -6.686
  135    HB2  ASN  17           HB2      ASN  17  18.157   4.176  -8.020
  136    HB3  ASN  17           HB3      ASN  17  17.121   4.827  -6.742
  137   HD21  ASN  17          HD21      ASN  17  17.478   2.453  -5.108
  138   HD22  ASN  17          HD22      ASN  17  19.069   2.553  -4.423
  139    H    GLN  18           H        GLN  18  14.883   1.108  -6.889
  140    HA   GLN  18           HA       GLN  18  13.288   2.947  -5.309
  141    HB2  GLN  18           HB2      GLN  18  11.272   2.248  -6.651
  142    HB3  GLN  18           HB3      GLN  18  12.327   3.425  -7.401
  143    HG2  GLN  18           HG2      GLN  18  11.830   2.018  -9.134
  144    HG3  GLN  18           HG3      GLN  18  13.345   1.334  -8.554
  145   HE21  GLN  18          HE21      GLN  18  10.328   0.947  -6.849
  146   HE22  GLN  18          HE22      GLN  18  10.158  -0.748  -7.156
  147    H    LEU  19           H        LEU  19  11.993   1.979  -3.875
  148    HA   LEU  19           HA       LEU  19  12.315  -0.829  -3.471
  149    HB2  LEU  19           HB2      LEU  19  10.616   1.217  -2.033
  150    HB3  LEU  19           HB3      LEU  19  10.835  -0.447  -1.520
  151    HG   LEU  19           HG       LEU  19  13.111   1.504  -1.799
  152   HD11  LEU  19          HD11      LEU  19  11.520   0.760   0.648
  153   HD12  LEU  19          HD12      LEU  19  13.029   1.674   0.652
  154   HD13  LEU  19          HD13      LEU  19  11.594   2.348  -0.119
  155   HD21  LEU  19          HD21      LEU  19  13.760  -0.830  -1.916
  156   HD22  LEU  19          HD22      LEU  19  14.284  -0.125  -0.387
  157   HD23  LEU  19          HD23      LEU  19  12.867  -1.175  -0.434
  158    H    LEU  20           H        LEU  20  10.558  -2.263  -3.422
  159    HA   LEU  20           HA       LEU  20   8.493  -1.612  -5.429
  160    HB2  LEU  20           HB2      LEU  20  10.639  -3.027  -6.040
  161    HB3  LEU  20           HB3      LEU  20   9.857  -4.288  -5.126
  162    HG   LEU  20           HG       LEU  20   9.481  -4.716  -7.413
  163   HD11  LEU  20          HD11      LEU  20   6.978  -3.515  -6.266
  164   HD12  LEU  20          HD12      LEU  20   7.059  -4.649  -7.615
  165   HD13  LEU  20          HD13      LEU  20   7.568  -5.156  -6.005
  166   HD21  LEU  20          HD21      LEU  20   8.451  -3.103  -8.930
  167   HD22  LEU  20          HD22      LEU  20   8.480  -1.890  -7.650
  168   HD23  LEU  20          HD23      LEU  20   9.993  -2.529  -8.295
  169    H    VAL  21           H        VAL  21   6.506  -2.061  -4.598
  170    HA   VAL  21           HA       VAL  21   6.316  -3.960  -2.382
  171    HB   VAL  21           HB       VAL  21   4.891  -1.331  -2.870
  172   HG11  VAL  21          HG11      VAL  21   3.478  -1.782  -0.925
  173   HG12  VAL  21          HG12      VAL  21   3.175  -2.937  -2.223
  174   HG13  VAL  21          HG13      VAL  21   4.136  -3.414  -0.823
  175   HG21  VAL  21          HG21      VAL  21   6.488  -2.381  -0.540
  176   HG22  VAL  21          HG22      VAL  21   7.008  -1.170  -1.711
  177   HG23  VAL  21          HG23      VAL  21   5.685  -0.812  -0.602
  178    H    GLY  22           H        GLY  22   5.968  -5.630  -3.884
  179    HA2  GLY  22           HA3      GLY  22   3.656  -5.334  -5.666
  180    HA3  GLY  22           HA2      GLY  22   4.913  -6.583  -5.709
  181    H    ILE  23           H        ILE  23   2.053  -5.516  -3.730
  182    HA   ILE  23           HA       ILE  23   2.459  -8.056  -2.407
  183    HB   ILE  23           HB       ILE  23   0.508  -7.551  -1.063
  184   HG12  ILE  23          HG12      ILE  23  -0.829  -6.514  -2.945
  185   HG13  ILE  23          HG13      ILE  23  -0.939  -5.680  -1.401
  186   HG21  ILE  23          HG21      ILE  23   2.586  -6.535  -0.394
  187   HG22  ILE  23          HG22      ILE  23   2.279  -5.149  -1.439
  188   HG23  ILE  23          HG23      ILE  23   1.246  -5.443  -0.041
  189   HD11  ILE  23          HD11      ILE  23   0.678  -4.020  -2.216
  190   HD12  ILE  23          HD12      ILE  23   0.712  -4.846  -3.773
  191   HD13  ILE  23          HD13      ILE  23  -0.781  -4.096  -3.205
  192    H    ILE  24           H        ILE  24  -0.245  -8.866  -1.960
  193    HA   ILE  24           HA       ILE  24  -1.172  -9.361  -4.703
  194    HB   ILE  24           HB       ILE  24  -2.478 -11.339  -3.745
  195   HG12  ILE  24          HG12      ILE  24  -0.223 -11.218  -1.746
  196   HG13  ILE  24          HG13      ILE  24  -1.929 -10.971  -1.384
  197   HG21  ILE  24          HG21      ILE  24  -0.621 -12.850  -4.276
  198   HG22  ILE  24          HG22      ILE  24  -0.782 -11.531  -5.435
  199   HG23  ILE  24          HG23      ILE  24   0.488 -11.480  -4.212
  200   HD11  ILE  24          HD11      ILE  24  -2.409 -13.269  -2.046
  201   HD12  ILE  24          HD12      ILE  24  -0.702 -13.521  -2.412
  202   HD13  ILE  24          HD13      ILE  24  -1.210 -13.202  -0.753
  203    H    GLN  25           H        GLN  25  -2.410  -9.401  -1.401
  204    HA   GLN  25           HA       GLN  25  -4.791  -8.050  -2.320
  205    HB2  GLN  25           HB2      GLN  25  -5.567 -10.093  -2.978
  206    HB3  GLN  25           HB3      GLN  25  -4.482 -10.965  -1.919
  207    HG2  GLN  25           HG2      GLN  25  -6.757  -9.514  -0.683
  208    HG3  GLN  25           HG3      GLN  25  -7.096 -10.986  -1.595
  209   HE21  GLN  25          HE21      GLN  25  -5.447  -9.626   1.112
  210   HE22  GLN  25          HE22      GLN  25  -5.145 -11.107   1.947
  211    H    ALA  26           H        ALA  26  -5.874  -7.117  -0.808
  212    HA   ALA  26           HA       ALA  26  -5.203  -7.593   2.004
  213    HB1  ALA  26           HB1      ALA  26  -5.073  -5.245   1.329
  214    HB2  ALA  26           HB2      ALA  26  -6.711  -5.323   0.683
  215    HB3  ALA  26           HB3      ALA  26  -6.438  -5.488   2.417
  216    H    ALA  27           H        ALA  27  -7.002  -8.106   3.388
  217    HA   ALA  27           HA       ALA  27  -9.286  -9.119   1.842
  218    HB1  ALA  27           HB1      ALA  27  -9.288 -11.147   3.155
  219    HB2  ALA  27           HB2      ALA  27  -7.746 -10.923   2.331
  220    HB3  ALA  27           HB3      ALA  27  -7.879 -10.575   4.057
  221    H    GLU  28           H        GLU  28 -11.267  -8.600   2.553
  222    HA   GLU  28           HA       GLU  28 -13.006  -8.307   3.953
  223    HB2  GLU  28           HB2      GLU  28 -11.101  -9.239   6.107
  224    HB3  GLU  28           HB3      GLU  28 -12.847  -9.099   6.278
  225    HG2  GLU  28           HG2      GLU  28 -11.485 -10.894   4.282
  226    HG3  GLU  28           HG3      GLU  28 -12.019 -11.415   5.877
  227    H    LEU  29           H        LEU  29 -11.552  -6.137   3.219
  228    HA   LEU  29           HA       LEU  29 -11.435  -4.353   5.485
  229    HB2  LEU  29           HB2      LEU  29 -11.856  -3.044   2.921
  230    HB3  LEU  29           HB3      LEU  29 -10.527  -2.887   4.051
  231    HG   LEU  29           HG       LEU  29 -10.766  -4.937   1.832
  232   HD11  LEU  29          HD11      LEU  29  -8.822  -3.772   0.919
  233   HD12  LEU  29          HD12      LEU  29 -10.229  -2.712   1.056
  234   HD13  LEU  29          HD13      LEU  29  -8.921  -2.599   2.235
  235   HD21  LEU  29          HD21      LEU  29  -9.625  -5.952   3.724
  236   HD22  LEU  29          HD22      LEU  29  -8.471  -5.593   2.438
  237   HD23  LEU  29          HD23      LEU  29  -8.564  -4.549   3.860
  238    HA   PRO  30           HA       PRO  30 -15.831  -3.467   5.253
  239    HB2  PRO  30           HB2      PRO  30 -16.050  -1.032   6.326
  240    HB3  PRO  30           HB3      PRO  30 -15.542  -2.424   7.287
  241    HG2  PRO  30           HG2      PRO  30 -13.903  -0.210   6.140
  242    HG3  PRO  30           HG3      PRO  30 -13.730  -1.053   7.691
  243    HD2  PRO  30           HD2      PRO  30 -12.244  -1.569   5.384
  244    HD3  PRO  30           HD3      PRO  30 -12.403  -2.657   6.776
  245    H    ALA  31           H        ALA  31 -17.228  -2.844   3.739
  246    HA   ALA  31           HA       ALA  31 -16.655  -0.889   1.720
  247    HB1  ALA  31           HB1      ALA  31 -19.196  -2.389   2.371
  248    HB2  ALA  31           HB2      ALA  31 -18.905  -1.434   0.918
  249    HB3  ALA  31           HB3      ALA  31 -17.973  -2.900   1.210
  250    H    LEU  32           H        LEU  32 -17.315   1.276   1.773
  251    HA   LEU  32           HA       LEU  32 -18.757   1.847   4.281
  252    HB2  LEU  32           HB2      LEU  32 -17.916   4.290   3.569
  253    HB3  LEU  32           HB3      LEU  32 -17.040   3.213   4.634
  254    HG   LEU  32           HG       LEU  32 -16.492   3.634   1.688
  255   HD11  LEU  32          HD11      LEU  32 -14.881   4.380   4.109
  256   HD12  LEU  32          HD12      LEU  32 -14.519   4.749   2.424
  257   HD13  LEU  32          HD13      LEU  32 -15.917   5.484   3.205
  258   HD21  LEU  32          HD21      LEU  32 -14.312   2.405   2.972
  259   HD22  LEU  32          HD22      LEU  32 -15.737   1.476   3.438
  260   HD23  LEU  32          HD23      LEU  32 -15.360   1.712   1.725
  261    H    ASP  33           H        ASP  33 -19.554   1.481   1.086
  262    HA   ASP  33           HA       ASP  33 -21.999   1.842   2.712
  263    HB2  ASP  33           HB2      ASP  33 -21.935   3.731   1.035
  264    HB3  ASP  33           HB3      ASP  33 -22.044   2.513  -0.236
  265    H    MET  34           H        MET  34 -23.636   0.245   2.251
  266    HA   MET  34           HA       MET  34 -22.690  -2.043   0.671
  267    HB2  MET  34           HB2      MET  34 -25.181  -1.640   2.354
  268    HB3  MET  34           HB3      MET  34 -24.853  -3.104   1.439
  269    HG2  MET  34           HG2      MET  34 -24.275  -3.460   3.733
  270    HG3  MET  34           HG3      MET  34 -22.804  -3.440   2.766
  271    HE1  MET  34           HE1      MET  34 -21.383  -3.209   4.973
  272    HE2  MET  34           HE2      MET  34 -21.614  -1.942   6.178
  273    HE3  MET  34           HE3      MET  34 -22.843  -3.189   5.963
  274    H    GLY  35           H        GLY  35 -22.707  -0.456  -1.164
  275    HA2  GLY  35           HA3      GLY  35 -24.986   0.070  -2.634
  276    HA3  GLY  35           HA2      GLY  35 -24.956   1.245  -1.324
  277    H    GLY  36           H        GLY  36 -22.385   0.078  -3.816
  278    HA2  GLY  36           HA3      GLY  36 -20.399   1.377  -3.957
  279    HA3  GLY  36           HA2      GLY  36 -21.134   2.561  -2.876
  280    H    THR  37           H        THR  37 -20.250  -0.648  -3.090
  281    HA   THR  37           HA       THR  37 -19.298  -1.160  -0.355
  282    HB   THR  37           HB       THR  37 -19.312  -3.538  -1.243
  283    HG1  THR  37           HG1      THR  37 -19.493  -2.567  -3.497
  284   HG21  THR  37          HG21      THR  37 -21.169  -2.855   0.178
  285   HG22  THR  37          HG22      THR  37 -21.732  -3.944  -1.092
  286   HG23  THR  37          HG23      THR  37 -22.020  -2.210  -1.225
  287    H    SER  38           H        SER  38 -17.028  -2.755  -1.114
  288    HA   SER  38           HA       SER  38 -16.327   0.010  -1.665
  289    HB2  SER  38           HB2      SER  38 -15.931  -0.345   0.583
  290    HB3  SER  38           HB3      SER  38 -15.300  -1.965   0.313
  291    HG   SER  38           HG       SER  38 -13.985   0.374  -0.618
  292    H    ASP  39           H        ASP  39 -14.770   0.609  -2.708
  293    HA   ASP  39           HA       ASP  39 -13.452  -1.363  -4.475
  294    HB2  ASP  39           HB2      ASP  39 -14.035   1.576  -4.915
  295    HB3  ASP  39           HB3      ASP  39 -13.150   0.556  -6.041
  296    HA   PRO  40           HA       PRO  40  -9.917  -0.123  -1.630
  297    HB2  PRO  40           HB2      PRO  40  -8.938  -2.477  -3.037
  298    HB3  PRO  40           HB3      PRO  40  -9.103  -2.200  -1.304
  299    HG2  PRO  40           HG2      PRO  40 -10.918  -3.588  -3.133
  300    HG3  PRO  40           HG3      PRO  40 -10.886  -3.589  -1.361
  301    HD2  PRO  40           HD2      PRO  40 -12.835  -2.408  -2.796
  302    HD3  PRO  40           HD3      PRO  40 -12.297  -1.803  -1.211
  303    H    TYR  41           H        TYR  41  -8.125   0.772  -2.248
  304    HA   TYR  41           HA       TYR  41  -6.983   0.793  -4.782
  305    HB2  TYR  41           HB2      TYR  41  -7.957   2.603  -5.711
  306    HB3  TYR  41           HB3      TYR  41  -9.164   2.497  -4.473
  307    HD1  TYR  41           HD2      TYR  41  -5.669   3.684  -4.196
  308    HD2  TYR  41           HD1      TYR  41  -9.779   4.763  -4.107
  309    HE1  TYR  41           HE2      TYR  41  -5.063   5.930  -3.406
  310    HE2  TYR  41           HE1      TYR  41  -9.198   7.004  -3.331
  311    HH   TYR  41           HH       TYR  41  -7.141   7.968  -1.967
  312    H    VAL  42           H        VAL  42  -4.846   1.352  -4.420
  313    HA   VAL  42           HA       VAL  42  -4.283   1.934  -1.624
  314    HB   VAL  42           HB       VAL  42  -2.581   0.686  -3.758
  315   HG11  VAL  42          HG11      VAL  42  -1.182   2.254  -2.518
  316   HG12  VAL  42          HG12      VAL  42  -1.741   1.562  -0.996
  317   HG13  VAL  42          HG13      VAL  42  -0.775   0.589  -2.103
  318   HG21  VAL  42          HG21      VAL  42  -3.507  -0.250  -1.048
  319   HG22  VAL  42          HG22      VAL  42  -4.165  -0.763  -2.602
  320   HG23  VAL  42          HG23      VAL  42  -2.504  -1.167  -2.171
  321    H    LYS  43           H        LYS  43  -3.861   3.852  -1.074
  322    HA   LYS  43           HA       LYS  43  -2.587   5.795  -2.819
  323    HB2  LYS  43           HB2      LYS  43  -3.014   6.035   0.159
  324    HB3  LYS  43           HB3      LYS  43  -2.799   7.330  -1.004
  325    HG2  LYS  43           HG2      LYS  43  -4.993   6.822  -1.959
  326    HG3  LYS  43           HG3      LYS  43  -5.213   5.541  -0.754
  327    HD2  LYS  43           HD2      LYS  43  -6.336   7.490   0.056
  328    HD3  LYS  43           HD3      LYS  43  -4.871   7.284   1.016
  329    HE2  LYS  43           HE2      LYS  43  -4.959   9.576   0.538
  330    HE3  LYS  43           HE3      LYS  43  -3.772   8.922  -0.587
  331    HZ1  LYS  43           HZ1      LYS  43  -6.453   9.979  -1.112
  332    HZ2  LYS  43           HZ2      LYS  43  -5.884   8.733  -2.107
  333    HZ3  LYS  43           HZ3      LYS  43  -5.019  10.180  -1.993
  334    H    VAL  44           H        VAL  44  -0.429   6.118  -2.873
  335    HA   VAL  44           HA       VAL  44   1.186   4.671  -0.873
  336    HB   VAL  44           HB       VAL  44   1.677   5.180  -3.803
  337   HG11  VAL  44          HG11      VAL  44   3.689   4.216  -1.773
  338   HG12  VAL  44          HG12      VAL  44   3.920   4.238  -3.522
  339   HG13  VAL  44          HG13      VAL  44   3.741   5.753  -2.637
  340   HG21  VAL  44          HG21      VAL  44   2.006   2.751  -3.844
  341   HG22  VAL  44          HG22      VAL  44   1.659   2.686  -2.117
  342   HG23  VAL  44          HG23      VAL  44   0.406   3.195  -3.249
  343    H    PHE  45           H        PHE  45   2.402   5.959   0.476
  344    HA   PHE  45           HA       PHE  45   3.472   8.411  -0.761
  345    HB2  PHE  45           HB2      PHE  45   2.736   8.529   2.124
  346    HB3  PHE  45           HB3      PHE  45   2.803   9.819   0.937
  347    HD1  PHE  45           HD1      PHE  45   0.892  10.200  -0.577
  348    HD2  PHE  45           HD2      PHE  45   0.744   7.340   2.568
  349    HE1  PHE  45           HE1      PHE  45  -1.561  10.181  -0.713
  350    HE2  PHE  45           HE2      PHE  45  -1.710   7.314   2.433
  351    HZ   PHE  45           HZ       PHE  45  -2.863   8.735   0.795
  352    H    LEU  46           H        LEU  46   5.205   9.295   0.558
  353    HA   LEU  46           HA       LEU  46   6.588   7.368   2.232
  354    HB2  LEU  46           HB2      LEU  46   7.555   7.815  -0.054
  355    HB3  LEU  46           HB3      LEU  46   7.951   9.427   0.513
  356    HG   LEU  46           HG       LEU  46   9.220   8.312   2.360
  357   HD11  LEU  46          HD11      LEU  46   8.833   5.869   0.647
  358   HD12  LEU  46          HD12      LEU  46   9.853   5.981   2.082
  359   HD13  LEU  46          HD13      LEU  46   8.099   6.134   2.230
  360   HD21  LEU  46          HD21      LEU  46  10.107   7.746  -0.456
  361   HD22  LEU  46          HD22      LEU  46  10.354   9.250   0.431
  362   HD23  LEU  46          HD23      LEU  46  11.156   7.772   0.962
  363    H    LEU  47           H        LEU  47   7.938   8.401   3.886
  364    HA   LEU  47           HA       LEU  47   6.511  10.611   5.084
  365    HB2  LEU  47           HB2      LEU  47   7.268   9.082   6.673
  366    HB3  LEU  47           HB3      LEU  47   8.795   8.844   5.857
  367    HG   LEU  47           HG       LEU  47   8.854  11.499   6.646
  368   HD11  LEU  47          HD11      LEU  47   8.385  11.410   9.050
  369   HD12  LEU  47          HD12      LEU  47   6.931  11.113   8.097
  370   HD13  LEU  47          HD13      LEU  47   7.769   9.768   8.869
  371   HD21  LEU  47          HD21      LEU  47  10.753  10.013   6.606
  372   HD22  LEU  47          HD22      LEU  47  10.581  10.704   8.219
  373   HD23  LEU  47          HD23      LEU  47  10.068   9.044   7.911
  374    HA   PRO  48           HA       PRO  48   7.552  14.444   3.866
  375    HB2  PRO  48           HB2      PRO  48   9.921  14.260   5.695
  376    HB3  PRO  48           HB3      PRO  48   8.919  15.672   5.318
  377    HG2  PRO  48           HG2      PRO  48   8.427  13.900   7.406
  378    HG3  PRO  48           HG3      PRO  48   7.219  14.974   6.680
  379    HD2  PRO  48           HD2      PRO  48   7.156  12.158   6.641
  380    HD3  PRO  48           HD3      PRO  48   6.190  13.231   5.600
  381    H    ASP  49           H        ASP  49   9.475  12.020   2.831
  382    HA   ASP  49           HA       ASP  49  10.981  13.670   0.988
  383    HB2  ASP  49           HB2      ASP  49  11.928  11.518   1.648
  384    HB3  ASP  49           HB3      ASP  49  10.432  10.694   1.233
  385    H    LYS  50           H        LYS  50   8.670  11.034   0.491
  386    HA   LYS  50           HA       LYS  50   6.695  10.827  -0.501
  387    HB2  LYS  50           HB2      LYS  50   6.500  13.112   0.941
  388    HB3  LYS  50           HB3      LYS  50   6.188  13.740  -0.675
  389    HG2  LYS  50           HG2      LYS  50   4.650  11.629   0.821
  390    HG3  LYS  50           HG3      LYS  50   4.084  13.206   0.249
  391    HD2  LYS  50           HD2      LYS  50   4.457  12.452  -2.068
  392    HD3  LYS  50           HD3      LYS  50   4.944  10.870  -1.433
  393    HE2  LYS  50           HE2      LYS  50   2.585  10.943  -2.231
  394    HE3  LYS  50           HE3      LYS  50   2.727  10.526  -0.522
  395    HZ1  LYS  50           HZ1      LYS  50   0.949  12.157  -0.996
  396    HZ2  LYS  50           HZ2      LYS  50   2.119  13.257  -1.537
  397    HZ3  LYS  50           HZ3      LYS  50   2.115  12.754   0.082
  398    H    LYS  51           H        LYS  51   8.779  10.643  -2.079
  399    HA   LYS  51           HA       LYS  51   8.333  12.293  -4.462
  400    HB2  LYS  51           HB2      LYS  51  10.261  10.214  -3.560
  401    HB3  LYS  51           HB3      LYS  51  10.136  10.552  -5.290
  402    HG2  LYS  51           HG2      LYS  51  10.849  12.788  -4.979
  403    HG3  LYS  51           HG3      LYS  51  10.640  12.681  -3.227
  404    HD2  LYS  51           HD2      LYS  51  12.399  10.896  -3.226
  405    HD3  LYS  51           HD3      LYS  51  12.691  11.273  -4.924
  406    HE2  LYS  51           HE2      LYS  51  13.624  13.314  -4.450
  407    HE3  LYS  51           HE3      LYS  51  12.738  13.486  -2.934
  408    HZ1  LYS  51           HZ1      LYS  51  14.133  11.807  -1.946
  409    HZ2  LYS  51           HZ2      LYS  51  15.098  13.061  -2.563
  410    HZ3  LYS  51           HZ3      LYS  51  14.979  11.592  -3.403
  411    H    LYS  52           H        LYS  52   6.182  10.519  -3.559
  412    HA   LYS  52           HA       LYS  52   5.955   8.744  -5.846
  413    HB2  LYS  52           HB2      LYS  52   5.383   6.839  -4.254
  414    HB3  LYS  52           HB3      LYS  52   7.079   7.304  -4.364
  415    HG2  LYS  52           HG2      LYS  52   6.568   8.810  -2.339
  416    HG3  LYS  52           HG3      LYS  52   5.127   7.809  -2.158
  417    HD2  LYS  52           HD2      LYS  52   6.915   6.969  -0.762
  418    HD3  LYS  52           HD3      LYS  52   6.551   5.814  -2.043
  419    HE2  LYS  52           HE2      LYS  52   9.000   6.239  -1.558
  420    HE3  LYS  52           HE3      LYS  52   8.493   6.364  -3.238
  421    HZ1  LYS  52           HZ1      LYS  52   8.405   8.793  -2.943
  422    HZ2  LYS  52           HZ2      LYS  52   9.958   8.165  -2.708
  423    HZ3  LYS  52           HZ3      LYS  52   9.018   8.616  -1.375
  424    H    LYS  53           H        LYS  53   4.017  10.187  -6.399
  425    HA   LYS  53           HA       LYS  53   1.730   9.420  -4.760
  426    HB2  LYS  53           HB2      LYS  53   1.940  10.876  -7.390
  427    HB3  LYS  53           HB3      LYS  53   0.402  10.407  -6.684
  428    HG2  LYS  53           HG2      LYS  53   0.613  12.577  -6.019
  429    HG3  LYS  53           HG3      LYS  53   1.231  11.705  -4.618
  430    HD2  LYS  53           HD2      LYS  53   3.480  12.189  -5.218
  431    HD3  LYS  53           HD3      LYS  53   2.993  12.785  -6.808
  432    HE2  LYS  53           HE2      LYS  53   2.374  14.046  -4.139
  433    HE3  LYS  53           HE3      LYS  53   3.505  14.648  -5.352
  434    HZ1  LYS  53           HZ1      LYS  53   0.563  14.393  -5.699
  435    HZ2  LYS  53           HZ2      LYS  53   1.642  14.955  -6.873
  436    HZ3  LYS  53           HZ3      LYS  53   1.408  15.837  -5.450
  437    H    PHE  54           H        PHE  54   1.633   7.126  -4.838
  438    HA   PHE  54           HA       PHE  54   0.974   6.185  -7.545
  439    HB2  PHE  54           HB2      PHE  54   2.158   4.681  -5.229
  440    HB3  PHE  54           HB3      PHE  54   1.388   3.849  -6.581
  441    HD1  PHE  54           HD1      PHE  54   4.095   6.217  -5.710
  442    HD2  PHE  54           HD2      PHE  54   2.524   3.523  -8.604
  443    HE1  PHE  54           HE1      PHE  54   6.196   6.361  -6.979
  444    HE2  PHE  54           HE2      PHE  54   4.621   3.667  -9.882
  445    HZ   PHE  54           HZ       PHE  54   6.393   5.208  -9.160
  446    H    GLU  55           H        GLU  55  -0.858   4.762  -7.810
  447    HA   GLU  55           HA       GLU  55  -2.792   4.571  -5.746
  448    HB2  GLU  55           HB2      GLU  55  -3.024   6.962  -6.044
  449    HB3  GLU  55           HB3      GLU  55  -3.168   6.768  -7.787
  450    HG2  GLU  55           HG2      GLU  55  -5.254   5.427  -7.372
  451    HG3  GLU  55           HG3      GLU  55  -5.133   5.912  -5.678
  452    H    THR  56           H        THR  56  -3.344   2.427  -6.519
  453    HA   THR  56           HA       THR  56  -4.697   2.427  -9.134
  454    HB   THR  56           HB       THR  56  -5.761   0.364  -7.802
  455    HG1  THR  56           HG1      THR  56  -4.666   0.952  -5.859
  456   HG21  THR  56          HG21      THR  56  -4.429   0.189  -9.876
  457   HG22  THR  56          HG22      THR  56  -4.010  -1.087  -8.731
  458   HG23  THR  56          HG23      THR  56  -2.947   0.308  -8.930
  459    H    LYS  57           H        LYS  57  -6.940   3.757  -8.831
  460    HA   LYS  57           HA       LYS  57  -8.279   1.854  -7.043
  461    HB2  LYS  57           HB2      LYS  57  -9.318   3.933  -6.781
  462    HB3  LYS  57           HB3      LYS  57  -9.203   4.312  -8.491
  463    HG2  LYS  57           HG2      LYS  57 -10.904   2.536  -8.922
  464    HG3  LYS  57           HG3      LYS  57 -11.096   2.383  -7.173
  465    HD2  LYS  57           HD2      LYS  57 -12.732   3.916  -8.387
  466    HD3  LYS  57           HD3      LYS  57 -11.919   4.575  -6.964
  467    HE2  LYS  57           HE2      LYS  57 -11.737   6.291  -8.531
  468    HE3  LYS  57           HE3      LYS  57 -10.180   5.465  -8.618
  469    HZ1  LYS  57           HZ1      LYS  57 -10.907   4.322 -10.594
  470    HZ2  LYS  57           HZ2      LYS  57 -11.075   5.994 -10.804
  471    HZ3  LYS  57           HZ3      LYS  57 -12.442   5.041 -10.498
  472    H    VAL  58           H        VAL  58  -7.540  -0.077  -8.852
  473    HA   VAL  58           HA       VAL  58 -10.387  -0.163  -9.564
  474    HB   VAL  58           HB       VAL  58  -9.278  -0.590 -11.623
  475   HG11  VAL  58          HG11      VAL  58  -7.568  -2.304 -11.935
  476   HG12  VAL  58          HG12      VAL  58  -7.045  -1.071 -10.787
  477   HG13  VAL  58          HG13      VAL  58  -7.590  -2.645 -10.205
  478   HG21  VAL  58          HG21      VAL  58  -9.964  -2.871 -12.158
  479   HG22  VAL  58          HG22      VAL  58 -10.084  -3.245 -10.439
  480   HG23  VAL  58          HG23      VAL  58 -11.170  -2.058 -11.161
  481    H    HIS  59           H        HIS  59 -10.960  -0.867  -7.192
  482    HA   HIS  59           HA       HIS  59 -10.698  -3.747  -7.551
  483    HB2  HIS  59           HB2      HIS  59 -10.432  -2.322  -4.933
  484    HB3  HIS  59           HB3      HIS  59 -10.915  -4.023  -5.026
  485    HD1  HIS  59           HD1      HIS  59  -9.222  -5.596  -6.436
  486    HD2  HIS  59           HD2      HIS  59  -7.725  -1.905  -5.255
  487    HE1  HIS  59           HE1      HIS  59  -6.764  -5.695  -6.887
  488    HE2  HIS  59           HE2      HIS  59  -5.945  -3.355  -6.460
  489    H    ARG  60           H        ARG  60 -12.632  -3.910  -8.692
  490    HA   ARG  60           HA       ARG  60 -14.750  -2.241  -7.739
  491    HB2  ARG  60           HB2      ARG  60 -15.982  -3.729  -9.637
  492    HB3  ARG  60           HB3      ARG  60 -15.085  -2.250  -9.942
  493    HG2  ARG  60           HG2      ARG  60 -14.355  -3.822 -11.533
  494    HG3  ARG  60           HG3      ARG  60 -13.071  -3.677 -10.335
  495    HD2  ARG  60           HD2      ARG  60 -13.463  -6.007 -10.975
  496    HD3  ARG  60           HD3      ARG  60 -13.791  -5.726  -9.267
  497    HE   ARG  60           HE       ARG  60 -16.180  -5.424 -10.720
  498   HH11  ARG  60          HH12      ARG  60 -13.919  -7.913  -9.745
  499   HH12  ARG  60          HH11      ARG  60 -15.118  -9.171  -9.725
  500   HH21  ARG  60          HH22      ARG  60 -17.750  -7.054 -10.706
  501   HH22  ARG  60          HH21      ARG  60 -17.305  -8.690 -10.310
  502    H    LYS  61           H        LYS  61 -15.800  -2.720  -6.062
  503    HA   LYS  61           HA       LYS  61 -17.650  -3.463  -5.013
  504    HB2  LYS  61           HB2      LYS  61 -17.869  -5.476  -7.257
  505    HB3  LYS  61           HB3      LYS  61 -19.137  -5.027  -6.128
  506    HG2  LYS  61           HG2      LYS  61 -17.879  -3.049  -8.004
  507    HG3  LYS  61           HG3      LYS  61 -19.260  -4.045  -8.461
  508    HD2  LYS  61           HD2      LYS  61 -20.210  -2.030  -7.742
  509    HD3  LYS  61           HD3      LYS  61 -20.400  -3.118  -6.369
  510    HE2  LYS  61           HE2      LYS  61 -19.677  -0.938  -5.608
  511    HE3  LYS  61           HE3      LYS  61 -18.402  -2.125  -5.332
  512    HZ1  LYS  61           HZ1      LYS  61 -17.261  -1.331  -7.280
  513    HZ2  LYS  61           HZ2      LYS  61 -17.550  -0.031  -6.238
  514    HZ3  LYS  61           HZ3      LYS  61 -18.511  -0.243  -7.629
  515    H    THR  62           H        THR  62 -15.356  -4.281  -3.861
  516    HA   THR  62           HA       THR  62 -16.011  -6.842  -2.822
  517    HB   THR  62           HB       THR  62 -14.081  -8.071  -3.402
  518    HG1  THR  62           HG1      THR  62 -13.051  -5.649  -4.066
  519   HG21  THR  62          HG21      THR  62 -15.063  -6.861  -5.960
  520   HG22  THR  62          HG22      THR  62 -15.707  -8.293  -5.156
  521   HG23  THR  62          HG23      THR  62 -14.084  -8.324  -5.845
  522    H    LEU  63           H        LEU  63 -15.628  -6.292  -0.730
  523    HA   LEU  63           HA       LEU  63 -13.252  -4.897  -0.056
  524    HB2  LEU  63           HB2      LEU  63 -15.296  -6.381   1.465
  525    HB3  LEU  63           HB3      LEU  63 -13.774  -5.923   2.210
  526    HG   LEU  63           HG       LEU  63 -15.359  -4.196   2.679
  527   HD11  LEU  63          HD11      LEU  63 -13.081  -3.459   2.159
  528   HD12  LEU  63          HD12      LEU  63 -13.506  -3.329   0.453
  529   HD13  LEU  63          HD13      LEU  63 -14.264  -2.261   1.636
  530   HD21  LEU  63          HD21      LEU  63 -15.824  -4.126  -0.293
  531   HD22  LEU  63          HD22      LEU  63 -16.940  -4.747   0.922
  532   HD23  LEU  63          HD23      LEU  63 -16.539  -3.031   0.891
  533    H    ASN  64           H        ASN  64 -13.351  -7.891  -1.329
  534    HA   ASN  64           HA       ASN  64 -10.893  -8.481   0.149
  535    HB2  ASN  64           HB2      ASN  64 -13.000 -10.109   0.473
  536    HB3  ASN  64           HB3      ASN  64 -12.313 -10.816  -0.988
  537   HD21  ASN  64          HD21      ASN  64  -9.579 -10.424  -0.542
  538   HD22  ASN  64          HD22      ASN  64  -9.116 -11.376   0.820
  539    HA   PRO  65           HA       PRO  65 -10.171  -7.970  -4.282
  540    HB2  PRO  65           HB2      PRO  65  -8.751  -5.750  -4.141
  541    HB3  PRO  65           HB3      PRO  65 -10.490  -5.690  -3.814
  542    HG2  PRO  65           HG2      PRO  65  -8.208  -5.673  -1.873
  543    HG3  PRO  65           HG3      PRO  65  -9.709  -4.753  -1.845
  544    HD2  PRO  65           HD2      PRO  65  -9.206  -7.115  -0.470
  545    HD3  PRO  65           HD3      PRO  65 -10.799  -6.389  -0.755
  546    H    VAL  66           H        VAL  66  -8.301  -8.336  -5.472
  547    HA   VAL  66           HA       VAL  66  -5.860  -8.528  -3.926
  548    HB   VAL  66           HB       VAL  66  -5.640 -10.693  -4.331
  549   HG11  VAL  66          HG11      VAL  66  -7.139 -12.010  -5.741
  550   HG12  VAL  66          HG12      VAL  66  -8.060 -10.875  -4.756
  551   HG13  VAL  66          HG13      VAL  66  -7.786 -10.536  -6.465
  552   HG21  VAL  66          HG21      VAL  66  -5.416  -9.837  -7.215
  553   HG22  VAL  66          HG22      VAL  66  -4.114  -9.960  -6.033
  554   HG23  VAL  66          HG23      VAL  66  -4.937 -11.416  -6.592
  555    H    PHE  67           H        PHE  67  -4.650  -7.175  -4.435
  556    HA   PHE  67           HA       PHE  67  -5.007  -5.407  -6.630
  557    HB2  PHE  67           HB2      PHE  67  -2.850  -5.700  -4.548
  558    HB3  PHE  67           HB3      PHE  67  -2.995  -4.314  -5.621
  559    HD1  PHE  67           HD2      PHE  67  -4.805  -6.217  -2.988
  560    HD2  PHE  67           HD1      PHE  67  -4.252  -2.478  -4.942
  561    HE1  PHE  67           HE2      PHE  67  -6.271  -5.145  -1.335
  562    HE2  PHE  67           HE1      PHE  67  -5.717  -1.397  -3.286
  563    HZ   PHE  67           HZ       PHE  67  -6.730  -2.730  -1.484
  564    H    ASN  68           H        ASN  68  -2.629  -7.875  -5.669
  565    HA   ASN  68           HA       ASN  68  -0.588  -8.417  -6.526
  566    HB2  ASN  68           HB2      ASN  68  -0.709  -9.368  -8.860
  567    HB3  ASN  68           HB3      ASN  68  -1.876 -10.037  -7.731
  568   HD21  ASN  68          HD21      ASN  68  -1.440  -8.001 -10.546
  569   HD22  ASN  68          HD22      ASN  68  -3.103  -8.003 -11.036
  570    H    GLU  69           H        GLU  69  -0.279  -6.053  -6.161
  571    HA   GLU  69           HA       GLU  69   0.149  -4.595  -8.683
  572    HB2  GLU  69           HB2      GLU  69  -2.011  -3.967  -7.343
  573    HB3  GLU  69           HB3      GLU  69  -0.902  -3.187  -6.223
  574    HG2  GLU  69           HG2      GLU  69  -1.374  -1.394  -7.579
  575    HG3  GLU  69           HG3      GLU  69   0.003  -2.086  -8.447
  576    H    GLN  70           H        GLN  70   2.209  -4.083  -8.779
  577    HA   GLN  70           HA       GLN  70   3.743  -3.813  -6.384
  578    HB2  GLN  70           HB2      GLN  70   5.612  -3.666  -7.732
  579    HB3  GLN  70           HB3      GLN  70   4.549  -4.618  -8.724
  580    HG2  GLN  70           HG2      GLN  70   5.168  -3.214 -10.333
  581    HG3  GLN  70           HG3      GLN  70   3.966  -2.139  -9.606
  582   HE21  GLN  70          HE21      GLN  70   5.656  -1.973  -7.168
  583   HE22  GLN  70          HE22      GLN  70   6.904  -0.837  -7.567
  584    H    PHE  71           H        PHE  71   3.543  -2.083  -5.175
  585    HA   PHE  71           HA       PHE  71   3.134   0.458  -6.548
  586    HB2  PHE  71           HB2      PHE  71   3.012  -0.258  -3.610
  587    HB3  PHE  71           HB3      PHE  71   2.771   1.367  -4.254
  588    HD1  PHE  71           HD1      PHE  71   0.868   1.769  -5.840
  589    HD2  PHE  71           HD2      PHE  71   1.275  -1.828  -3.608
  590    HE1  PHE  71           HE1      PHE  71  -1.520   1.294  -6.183
  591    HE2  PHE  71           HE2      PHE  71  -1.111  -2.317  -3.955
  592    HZ   PHE  71           HZ       PHE  71  -2.475  -0.818  -5.384
  593    H    THR  72           H        THR  72   4.995   0.827  -7.422
  594    HA   THR  72           HA       THR  72   7.549   0.810  -6.409
  595    HB   THR  72           HB       THR  72   6.502   3.150  -7.988
  596    HG1  THR  72           HG1      THR  72   6.937   0.498  -8.964
  597   HG21  THR  72          HG21      THR  72   9.036   1.518  -8.174
  598   HG22  THR  72          HG22      THR  72   8.883   3.101  -7.411
  599   HG23  THR  72          HG23      THR  72   8.644   2.933  -9.151
  600    H    PHE  73           H        PHE  73   8.388   1.722  -4.711
  601    HA   PHE  73           HA       PHE  73   7.289   4.292  -3.888
  602    HB2  PHE  73           HB2      PHE  73   8.774   2.151  -2.365
  603    HB3  PHE  73           HB3      PHE  73   8.780   3.817  -1.796
  604    HD1  PHE  73           HD1      PHE  73   6.480   1.071  -2.776
  605    HD2  PHE  73           HD2      PHE  73   7.044   4.589  -0.453
  606    HE1  PHE  73           HE1      PHE  73   4.305   0.696  -1.689
  607    HE2  PHE  73           HE2      PHE  73   4.872   4.217   0.639
  608    HZ   PHE  73           HZ       PHE  73   3.534   2.265   0.092
  609    H    LYS  74           H        LYS  74   8.404   5.922  -4.556
  610    HA   LYS  74           HA       LYS  74  10.843   5.544  -5.991
  611    HB2  LYS  74           HB2      LYS  74   9.120   6.985  -6.883
  612    HB3  LYS  74           HB3      LYS  74   9.123   7.958  -5.424
  613    HG2  LYS  74           HG2      LYS  74  10.245   9.266  -6.942
  614    HG3  LYS  74           HG3      LYS  74  11.550   8.507  -6.027
  615    HD2  LYS  74           HD2      LYS  74  10.545   7.434  -8.663
  616    HD3  LYS  74           HD3      LYS  74  11.884   8.573  -8.530
  617    HE2  LYS  74           HE2      LYS  74  13.116   6.965  -7.154
  618    HE3  LYS  74           HE3      LYS  74  11.774   5.828  -7.271
  619    HZ1  LYS  74           HZ1      LYS  74  12.109   5.760  -9.679
  620    HZ2  LYS  74           HZ2      LYS  74  13.500   5.268  -8.847
  621    HZ3  LYS  74           HZ3      LYS  74  13.431   6.815  -9.534
  622    H    VAL  75           H        VAL  75  11.786   4.790  -3.892
  623    HA   VAL  75           HA       VAL  75  13.529   6.948  -3.035
  624    HB   VAL  75           HB       VAL  75  12.100   6.905  -1.137
  625   HG11  VAL  75          HG11      VAL  75  11.409   4.874   0.019
  626   HG12  VAL  75          HG12      VAL  75  10.874   4.854  -1.661
  627   HG13  VAL  75          HG13      VAL  75  12.268   3.892  -1.168
  628   HG21  VAL  75          HG21      VAL  75  14.411   5.075  -0.527
  629   HG22  VAL  75          HG22      VAL  75  14.475   6.838  -0.596
  630   HG23  VAL  75          HG23      VAL  75  13.506   6.039   0.641
  631    HA   PRO  76           HA       PRO  76  16.526   3.679  -4.059
  632    HB2  PRO  76           HB2      PRO  76  18.055   5.891  -2.704
  633    HB3  PRO  76           HB3      PRO  76  18.534   4.882  -4.085
  634    HG2  PRO  76           HG2      PRO  76  17.653   7.229  -4.671
  635    HG3  PRO  76           HG3      PRO  76  16.865   5.834  -5.479
  636    HD2  PRO  76           HD2      PRO  76  15.918   7.359  -3.040
  637    HD3  PRO  76           HD3      PRO  76  15.022   7.001  -4.538
  638    H    TYR  77           H        TYR  77  18.018   2.430  -2.766
  639    HA   TYR  77           HA       TYR  77  16.816   1.913  -0.207
  640    HB2  TYR  77           HB2      TYR  77  18.239  -0.029  -0.087
  641    HB3  TYR  77           HB3      TYR  77  17.526   0.095  -1.697
  642    HD1  TYR  77           HD2      TYR  77  18.979   0.957  -3.581
  643    HD2  TYR  77           HD1      TYR  77  20.586  -0.128   0.206
  644    HE1  TYR  77           HE2      TYR  77  21.216   0.789  -4.585
  645    HE2  TYR  77           HE1      TYR  77  22.830  -0.289  -0.787
  646    HH   TYR  77           HH       TYR  77  23.831  -0.674  -3.039
  647    H    SER  78           H        SER  78  19.910   3.192  -1.324
  648    HA   SER  78           HA       SER  78  21.088   3.707   1.163
  649    HB2  SER  78           HB2      SER  78  22.044   5.731  -0.278
  650    HB3  SER  78           HB3      SER  78  22.541   4.065  -0.594
  651    HG   SER  78           HG       SER  78  21.828   5.333  -2.477
  652    H    GLU  79           H        GLU  79  18.520   5.219  -0.545
  653    HA   GLU  79           HA       GLU  79  18.487   7.662   1.002
  654    HB2  GLU  79           HB2      GLU  79  18.008   7.484  -1.492
  655    HB3  GLU  79           HB3      GLU  79  16.518   6.666  -1.063
  656    HG2  GLU  79           HG2      GLU  79  16.049   8.953  -1.553
  657    HG3  GLU  79           HG3      GLU  79  15.800   8.669   0.168
  658    H    LEU  80           H        LEU  80  17.186   4.532   1.021
  659    HA   LEU  80           HA       LEU  80  14.629   4.917   2.072
  660    HB2  LEU  80           HB2      LEU  80  14.611   2.766   1.495
  661    HB3  LEU  80           HB3      LEU  80  16.353   2.725   1.407
  662    HG   LEU  80           HG       LEU  80  14.954   2.372   4.059
  663   HD11  LEU  80          HD11      LEU  80  15.488   0.263   1.965
  664   HD12  LEU  80          HD12      LEU  80  15.057  -0.064   3.644
  665   HD13  LEU  80          HD13      LEU  80  13.915   0.768   2.590
  666   HD21  LEU  80          HD21      LEU  80  16.950   1.054   4.574
  667   HD22  LEU  80          HD22      LEU  80  17.581   1.358   2.955
  668   HD23  LEU  80          HD23      LEU  80  17.383   2.694   4.090
  669    H    GLY  81           H        GLY  81  17.767   4.691   3.520
  670    HA2  GLY  81           HA3      GLY  81  17.368   4.182   6.138
  671    HA3  GLY  81           HA2      GLY  81  18.469   5.429   5.570
  672    H    GLY  82           H        GLY  82  16.815   7.412   4.708
  673    HA2  GLY  82           HA3      GLY  82  15.789   8.558   7.115
  674    HA3  GLY  82           HA2      GLY  82  15.686   9.250   5.510
  675    H    LYS  83           H        LYS  83  14.215   6.741   4.564
  676    HA   LYS  83           HA       LYS  83  11.772   8.275   4.793
  677    HB2  LYS  83           HB2      LYS  83  12.168   5.952   2.956
  678    HB3  LYS  83           HB3      LYS  83  11.185   7.394   2.731
  679    HG2  LYS  83           HG2      LYS  83  14.192   7.320   2.733
  680    HG3  LYS  83           HG3      LYS  83  13.171   7.359   1.299
  681    HD2  LYS  83           HD2      LYS  83  12.363   9.550   1.861
  682    HD3  LYS  83           HD3      LYS  83  13.188   9.499   3.425
  683    HE2  LYS  83           HE2      LYS  83  15.330   9.504   2.375
  684    HE3  LYS  83           HE3      LYS  83  14.614   9.284   0.782
  685    HZ1  LYS  83           HZ1      LYS  83  13.696  11.481   0.886
  686    HZ2  LYS  83           HZ2      LYS  83  15.358  11.561   1.211
  687    HZ3  LYS  83           HZ3      LYS  83  14.246  11.694   2.483
  688    H    THR  84           H        THR  84   9.711   7.365   5.059
  689    HA   THR  84           HA       THR  84   9.636   4.641   6.172
  690    HB   THR  84           HB       THR  84   7.919   5.144   7.683
  691    HG1  THR  84           HG1      THR  84   6.897   6.596   5.946
  692   HG21  THR  84          HG21      THR  84  10.027   6.051   8.500
  693   HG22  THR  84          HG22      THR  84   8.675   7.049   9.036
  694   HG23  THR  84          HG23      THR  84   9.694   7.587   7.700
  695    H    LEU  85           H        LEU  85   8.351   3.304   5.043
  696    HA   LEU  85           HA       LEU  85   6.707   4.428   2.952
  697    HB2  LEU  85           HB2      LEU  85   7.353   1.651   3.817
  698    HB3  LEU  85           HB3      LEU  85   5.987   1.938   2.756
  699    HG   LEU  85           HG       LEU  85   7.570   3.153   1.233
  700   HD11  LEU  85          HD11      LEU  85   9.946   2.536   1.460
  701   HD12  LEU  85          HD12      LEU  85   9.357   3.614   2.726
  702   HD13  LEU  85          HD13      LEU  85   9.585   1.897   3.068
  703   HD21  LEU  85          HD21      LEU  85   8.451   1.067   0.280
  704   HD22  LEU  85          HD22      LEU  85   7.990   0.221   1.759
  705   HD23  LEU  85          HD23      LEU  85   6.748   0.949   0.735
  706    H    VAL  86           H        VAL  86   4.734   5.099   3.181
  707    HA   VAL  86           HA       VAL  86   3.016   3.584   5.005
  708    HB   VAL  86           HB       VAL  86   1.545   5.528   5.269
  709   HG11  VAL  86          HG11      VAL  86   3.176   5.065   6.993
  710   HG12  VAL  86          HG12      VAL  86   4.401   5.993   6.129
  711   HG13  VAL  86          HG13      VAL  86   2.991   6.808   6.806
  712   HG21  VAL  86          HG21      VAL  86   2.152   6.746   3.228
  713   HG22  VAL  86          HG22      VAL  86   2.303   7.769   4.656
  714   HG23  VAL  86          HG23      VAL  86   3.745   7.088   3.903
  715    H    MET  87           H        MET  87   1.281   2.776   4.174
  716    HA   MET  87           HA       MET  87   0.630   3.369   1.373
  717    HB2  MET  87           HB2      MET  87   2.049   1.395   1.444
  718    HB3  MET  87           HB3      MET  87   1.051   0.674   2.701
  719    HG2  MET  87           HG2      MET  87  -0.750   0.348   1.162
  720    HG3  MET  87           HG3      MET  87   0.092   1.259  -0.092
  721    HE1  MET  87           HE1      MET  87  -1.146  -1.808  -0.261
  722    HE2  MET  87           HE2      MET  87  -0.502  -0.928  -1.647
  723    HE3  MET  87           HE3      MET  87   0.085  -2.549  -1.282
  724    H    ALA  88           H        ALA  88  -1.661   3.072   0.878
  725    HA   ALA  88           HA       ALA  88  -3.321   2.868   3.295
  726    HB1  ALA  88           HB1      ALA  88  -4.531   5.006   2.519
  727    HB2  ALA  88           HB2      ALA  88  -2.946   5.191   3.310
  728    HB3  ALA  88           HB3      ALA  88  -3.063   5.305   1.554
  729    H    VAL  89           H        VAL  89  -4.702   1.288   2.682
  730    HA   VAL  89           HA       VAL  89  -5.844   1.323   0.041
  731    HB   VAL  89           HB       VAL  89  -7.582  -0.237   1.137
  732   HG11  VAL  89          HG11      VAL  89  -4.676  -1.028   1.038
  733   HG12  VAL  89          HG12      VAL  89  -6.048  -2.138   0.995
  734   HG13  VAL  89          HG13      VAL  89  -5.791  -1.002  -0.330
  735   HG21  VAL  89          HG21      VAL  89  -5.479  -0.197   3.287
  736   HG22  VAL  89          HG22      VAL  89  -7.145   0.360   3.448
  737   HG23  VAL  89          HG23      VAL  89  -6.810  -1.350   3.175
  738    H    TYR  90           H        TYR  90  -7.362   2.638  -0.627
  739    HA   TYR  90           HA       TYR  90  -8.909   4.162   1.351
  740    HB2  TYR  90           HB2      TYR  90  -6.994   5.352   0.078
  741    HB3  TYR  90           HB3      TYR  90  -8.014   5.193  -1.343
  742    HD1  TYR  90           HD2      TYR  90 -10.053   6.482  -1.555
  743    HD2  TYR  90           HD1      TYR  90  -7.549   6.932   1.848
  744    HE1  TYR  90           HE2      TYR  90 -11.248   8.544  -0.962
  745    HE2  TYR  90           HE1      TYR  90  -8.742   8.994   2.455
  746    HH   TYR  90           HH       TYR  90 -11.668   9.977   0.827
  747    H    ASP  91           H        ASP  91 -11.058   4.421   0.847
  748    HA   ASP  91           HA       ASP  91 -12.009   2.611  -1.250
  749    HB2  ASP  91           HB2      ASP  91 -12.885   2.330   0.984
  750    HB3  ASP  91           HB3      ASP  91 -13.629   3.939   0.879
  751    H    PHE  92           H        PHE  92 -12.820   3.298  -3.097
  752    HA   PHE  92           HA       PHE  92 -13.516   6.104  -3.396
  753    HB2  PHE  92           HB2      PHE  92 -12.468   4.634  -5.230
  754    HB3  PHE  92           HB3      PHE  92 -14.068   3.914  -5.394
  755    HD1  PHE  92           HD2      PHE  92 -12.313   7.196  -5.469
  756    HD2  PHE  92           HD1      PHE  92 -15.651   4.893  -6.759
  757    HE1  PHE  92           HE2      PHE  92 -13.003   9.031  -6.956
  758    HE2  PHE  92           HE1      PHE  92 -16.344   6.721  -8.249
  759    HZ   PHE  92           HZ       PHE  92 -14.947   8.798  -8.375
  760    H    ASP  93           H        ASP  93 -15.379   6.707  -2.428
  761    HA   ASP  93           HA       ASP  93 -17.392   4.689  -1.844
  762    HB2  ASP  93           HB2      ASP  93 -16.411   7.054  -0.618
  763    HB3  ASP  93           HB3      ASP  93 -18.108   7.329  -1.009
  764    H    ARG  94           H        ARG  94 -16.745   6.530  -4.384
  765    HA   ARG  94           HA       ARG  94 -17.792   7.064  -6.296
  766    HB2  ARG  94           HB2      ARG  94 -19.982   5.380  -5.109
  767    HB3  ARG  94           HB3      ARG  94 -19.989   5.980  -6.760
  768    HG2  ARG  94           HG2      ARG  94 -17.889   4.763  -7.180
  769    HG3  ARG  94           HG3      ARG  94 -17.974   4.106  -5.543
  770    HD2  ARG  94           HD2      ARG  94 -18.851   2.524  -7.192
  771    HD3  ARG  94           HD3      ARG  94 -20.102   3.047  -6.065
  772    HE   ARG  94           HE       ARG  94 -19.994   4.600  -8.490
  773   HH11  ARG  94          HH12      ARG  94 -21.339   1.747  -6.952
  774   HH12  ARG  94          HH11      ARG  94 -22.666   1.630  -8.058
  775   HH21  ARG  94          HH22      ARG  94 -21.751   4.441  -9.936
  776   HH22  ARG  94          HH21      ARG  94 -22.911   3.164  -9.737
  777    H    PHE  95           H        PHE  95 -19.665   7.822  -3.411
  778    HA   PHE  95           HA       PHE  95 -20.865  10.090  -4.817
  779    HB2  PHE  95           HB2      PHE  95 -22.429   8.206  -5.097
  780    HB3  PHE  95           HB3      PHE  95 -22.472   7.984  -3.353
  781    HD1  PHE  95           HD1      PHE  95 -23.372  10.294  -6.092
  782    HD2  PHE  95           HD2      PHE  95 -23.904   9.261  -1.998
  783    HE1  PHE  95           HE1      PHE  95 -25.242  11.882  -5.939
  784    HE2  PHE  95           HE2      PHE  95 -25.783  10.842  -1.842
  785    HZ   PHE  95           HZ       PHE  95 -26.486  12.116  -3.836
  786    H    SER  96           H        SER  96 -20.916   8.323  -1.714
  787    HA   SER  96           HA       SER  96 -21.284  10.730  -0.209
  788    HB2  SER  96           HB2      SER  96 -20.827   9.122   1.735
  789    HB3  SER  96           HB3      SER  96 -22.241   8.784   0.736
  790    HG   SER  96           HG       SER  96 -19.796   7.417   0.910
  791    H    LYS  97           H        LYS  97 -19.668  10.890   1.807
  792    HA   LYS  97           HA       LYS  97 -17.151  11.609   0.727
  793    HB2  LYS  97           HB2      LYS  97 -18.015  11.310   3.614
  794    HB3  LYS  97           HB3      LYS  97 -16.528  12.080   3.079
  795    HG2  LYS  97           HG2      LYS  97 -17.754  13.832   2.000
  796    HG3  LYS  97           HG3      LYS  97 -19.287  13.019   2.324
  797    HD2  LYS  97           HD2      LYS  97 -18.942  14.837   3.904
  798    HD3  LYS  97           HD3      LYS  97 -18.903  13.283   4.738
  799    HE2  LYS  97           HE2      LYS  97 -17.139  14.666   5.601
  800    HE3  LYS  97           HE3      LYS  97 -16.424  13.361   4.654
  801    HZ1  LYS  97           HZ1      LYS  97 -16.800  16.179   3.781
  802    HZ2  LYS  97           HZ2      LYS  97 -16.205  14.934   2.792
  803    HZ3  LYS  97           HZ3      LYS  97 -15.329  15.423   4.159
  804    H    HIS  98           H        HIS  98 -15.586  10.298   0.250
  805    HA   HIS  98           HA       HIS  98 -15.530   7.593   1.115
  806    HB2  HIS  98           HB2      HIS  98 -13.244   7.696  -0.152
  807    HB3  HIS  98           HB3      HIS  98 -14.754   7.765  -1.050
  808    HD1  HIS  98           HD1      HIS  98 -12.272  10.272   0.434
  809    HD2  HIS  98           HD2      HIS  98 -14.792   9.772  -2.840
  810    HE1  HIS  98           HE1      HIS  98 -11.914  12.295  -1.017
  811    HE2  HIS  98           HE2      HIS  98 -13.582  12.058  -2.896
  812    H    ASP  99           H        ASP  99 -14.880   7.007   2.952
  813    HA   ASP  99           HA       ASP  99 -12.712   8.296   4.395
  814    HB2  ASP  99           HB2      ASP  99 -14.634   6.084   5.063
  815    HB3  ASP  99           HB3      ASP  99 -13.168   6.301   6.012
  816    H    ILE 100           H        ILE 100 -10.592   7.544   4.420
  817    HA   ILE 100           HA       ILE 100  -9.781   5.399   2.819
  818    HB   ILE 100           HB       ILE 100  -8.145   7.022   3.468
  819   HG12  ILE 100          HG12      ILE 100  -7.664   4.454   4.957
  820   HG13  ILE 100          HG13      ILE 100  -7.256   4.775   3.279
  821   HG21  ILE 100          HG21      ILE 100  -9.191   7.839   5.498
  822   HG22  ILE 100          HG22      ILE 100  -8.764   6.349   6.339
  823   HG23  ILE 100          HG23      ILE 100  -7.497   7.446   5.791
  824   HD11  ILE 100          HD11      ILE 100  -6.040   6.113   5.687
  825   HD12  ILE 100          HD12      ILE 100  -5.283   4.880   4.677
  826   HD13  ILE 100          HD13      ILE 100  -5.647   6.469   4.004
  827    H    ILE 101           H        ILE 101  -9.923   3.278   3.181
  828    HA   ILE 101           HA       ILE 101 -11.397   2.342   5.411
  829    HB   ILE 101           HB       ILE 101 -10.581   0.043   4.319
  830   HG12  ILE 101          HG12      ILE 101 -10.362   2.076   2.093
  831   HG13  ILE 101          HG13      ILE 101  -9.031   1.127   2.754
  832   HG21  ILE 101          HG21      ILE 101 -12.872   0.782   4.536
  833   HG22  ILE 101          HG22      ILE 101 -12.669   1.884   3.175
  834   HG23  ILE 101          HG23      ILE 101 -12.586   0.142   2.918
  835   HD11  ILE 101          HD11      ILE 101 -10.054  -0.906   1.921
  836   HD12  ILE 101          HD12      ILE 101 -11.439   0.013   1.327
  837   HD13  ILE 101          HD13      ILE 101  -9.844   0.261   0.615
  838    H    GLY 102           H        GLY 102  -8.026   1.995   4.351
  839    HA2  GLY 102           HA3      GLY 102  -7.156   1.951   7.061
  840    HA3  GLY 102           HA2      GLY 102  -7.111   0.336   6.357
  841    H    GLU 103           H        GLU 103  -4.783   0.818   7.004
  842    HA   GLU 103           HA       GLU 103  -3.189   1.450   4.795
  843    HB2  GLU 103           HB2      GLU 103  -2.267   3.553   5.326
  844    HB3  GLU 103           HB3      GLU 103  -4.002   3.776   5.475
  845    HG2  GLU 103           HG2      GLU 103  -3.805   3.562   7.910
  846    HG3  GLU 103           HG3      GLU 103  -2.056   3.373   7.728
  847    H    PHE 104           H        PHE 104  -0.870   1.510   5.524
  848    HA   PHE 104           HA       PHE 104  -0.437   0.349   8.151
  849    HB2  PHE 104           HB2      PHE 104   0.420  -1.686   7.527
  850    HB3  PHE 104           HB3      PHE 104  -0.859  -1.495   6.340
  851    HD1  PHE 104           HD2      PHE 104   2.764  -1.458   6.896
  852    HD2  PHE 104           HD1      PHE 104  -0.355  -1.242   4.015
  853    HE1  PHE 104           HE2      PHE 104   4.397  -1.858   5.105
  854    HE2  PHE 104           HE1      PHE 104   1.274  -1.647   2.223
  855    HZ   PHE 104           HZ       PHE 104   3.651  -1.956   2.764
  856    H    LYS 105           H        LYS 105   1.754   0.390   8.790
  857    HA   LYS 105           HA       LYS 105   3.371   2.314   7.267
  858    HB2  LYS 105           HB2      LYS 105   2.852   2.101  10.214
  859    HB3  LYS 105           HB3      LYS 105   4.368   2.783   9.645
  860    HG2  LYS 105           HG2      LYS 105   2.953   4.607  10.027
  861    HG3  LYS 105           HG3      LYS 105   2.973   4.388   8.278
  862    HD2  LYS 105           HD2      LYS 105   0.838   3.163   8.437
  863    HD3  LYS 105           HD3      LYS 105   0.815   3.472  10.176
  864    HE2  LYS 105           HE2      LYS 105   0.809   5.561   8.002
  865    HE3  LYS 105           HE3      LYS 105  -0.583   5.067   8.963
  866    HZ1  LYS 105           HZ1      LYS 105   0.356   7.097   9.822
  867    HZ2  LYS 105           HZ2      LYS 105   1.879   6.373   9.997
  868    HZ3  LYS 105           HZ3      LYS 105   0.577   5.850  10.951
  869    H    VAL 106           H        VAL 106   5.315   1.682   6.700
  870    HA   VAL 106           HA       VAL 106   6.711  -0.266   8.340
  871    HB   VAL 106           HB       VAL 106   5.684  -1.598   6.557
  872   HG11  VAL 106          HG11      VAL 106   7.218   0.135   4.635
  873   HG12  VAL 106          HG12      VAL 106   6.341  -1.339   4.222
  874   HG13  VAL 106          HG13      VAL 106   5.465   0.070   4.818
  875   HG21  VAL 106          HG21      VAL 106   7.804  -2.324   7.421
  876   HG22  VAL 106          HG22      VAL 106   7.713  -2.669   5.693
  877   HG23  VAL 106          HG23      VAL 106   8.659  -1.297   6.269
  878    HA   PRO 107           HA       PRO 107   9.275   3.323   7.465
  879    HB2  PRO 107           HB2      PRO 107  10.659   3.258   9.769
  880    HB3  PRO 107           HB3      PRO 107   9.018   3.910   9.673
  881    HG2  PRO 107           HG2      PRO 107   9.947   1.252  10.637
  882    HG3  PRO 107           HG3      PRO 107   8.679   2.297  11.300
  883    HD2  PRO 107           HD2      PRO 107   8.233   0.114   9.702
  884    HD3  PRO 107           HD3      PRO 107   7.110   1.478   9.843
  885    H    MET 108           H        MET 108  10.972   3.238   6.313
  886    HA   MET 108           HA       MET 108  12.396   0.906   5.699
  887    HB2  MET 108           HB2      MET 108  12.809   3.808   5.104
  888    HB3  MET 108           HB3      MET 108  13.932   2.581   4.526
  889    HG2  MET 108           HG2      MET 108  11.076   3.043   3.827
  890    HG3  MET 108           HG3      MET 108  12.487   3.038   2.776
  891    HE1  MET 108           HE1      MET 108  10.877   0.406   5.400
  892    HE2  MET 108           HE2      MET 108   9.619   0.898   4.266
  893    HE3  MET 108           HE3      MET 108  10.254  -0.746   4.218
  894    H    ASN 109           H        ASN 109  12.774   3.367   8.000
  895    HA   ASN 109           HA       ASN 109  15.556   3.295   8.422
  896    HB2  ASN 109           HB2      ASN 109  13.778   3.725  10.767
  897    HB3  ASN 109           HB3      ASN 109  15.145   4.682  10.210
  898   HD21  ASN 109          HD21      ASN 109  14.805   6.207   8.528
  899   HD22  ASN 109          HD22      ASN 109  13.221   6.824   8.191
  900    H    THR 110           H        THR 110  12.906   1.267   9.296
  901    HA   THR 110           HA       THR 110  14.516  -0.209  11.265
  902    HB   THR 110           HB       THR 110  11.636  -0.786  10.601
  903    HG1  THR 110           HG1      THR 110  12.715   1.459  11.857
  904   HG21  THR 110          HG21      THR 110  13.272  -1.032  13.134
  905   HG22  THR 110          HG22      THR 110  12.824  -2.357  12.059
  906   HG23  THR 110          HG23      THR 110  11.577  -1.489  12.955
  907    H    VAL 111           H        VAL 111  13.278  -0.323   8.063
  908    HA   VAL 111           HA       VAL 111  13.359  -3.215   7.939
  909    HB   VAL 111           HB       VAL 111  12.436  -1.236   5.862
  910   HG11  VAL 111          HG11      VAL 111  12.128  -4.239   5.961
  911   HG12  VAL 111          HG12      VAL 111  11.464  -3.163   4.731
  912   HG13  VAL 111          HG13      VAL 111  13.211  -3.357   4.886
  913   HG21  VAL 111          HG21      VAL 111  10.898  -2.978   7.786
  914   HG22  VAL 111          HG22      VAL 111  11.037  -1.222   7.849
  915   HG23  VAL 111          HG23      VAL 111  10.190  -1.992   6.507
  916    H    ASP 112           H        ASP 112  15.137  -4.193   7.427
  917    HA   ASP 112           HA       ASP 112  17.132  -3.072   5.681
  918    HB2  ASP 112           HB2      ASP 112  17.962  -4.608   7.304
  919    HB3  ASP 112           HB3      ASP 112  16.746  -5.814   6.893
  920    H    PHE 113           H        PHE 113  16.576  -2.773   3.595
  921    HA   PHE 113           HA       PHE 113  15.156  -4.911   2.198
  922    HB2  PHE 113           HB2      PHE 113  15.521  -2.036   1.746
  923    HB3  PHE 113           HB3      PHE 113  15.679  -3.010   0.289
  924    HD1  PHE 113           HD2      PHE 113  13.809  -4.377  -0.501
  925    HD2  PHE 113           HD1      PHE 113  13.411  -1.777   2.844
  926    HE1  PHE 113           HE2      PHE 113  11.360  -4.518  -0.686
  927    HE2  PHE 113           HE1      PHE 113  10.962  -1.917   2.665
  928    HZ   PHE 113           HZ       PHE 113   9.934  -3.289   0.896
  929    H    GLY 114           H        GLY 114  17.164  -6.143   2.775
  930    HA2  GLY 114           HA3      GLY 114  19.458  -5.771   1.075
  931    HA3  GLY 114           HA2      GLY 114  19.138  -7.145   2.127
  932    H    HIS 115           H        HIS 115  16.810  -8.131   1.243
  933    HA   HIS 115           HA       HIS 115  17.404  -8.840  -1.548
  934    HB2  HIS 115           HB2      HIS 115  17.901 -10.582   0.323
  935    HB3  HIS 115           HB3      HIS 115  16.155 -10.782   0.377
  936    HD1  HIS 115           HD1      HIS 115  15.646 -12.892  -0.780
  937    HD2  HIS 115           HD2      HIS 115  18.573 -10.713  -2.772
  938    HE1  HIS 115           HE1      HIS 115  16.197 -14.222  -2.842
  939    HE2  HIS 115           HE2      HIS 115  18.165 -13.027  -3.858
  940    H    VAL 116           H        VAL 116  14.734 -10.439  -0.192
  941    HA   VAL 116           HA       VAL 116  12.888  -8.423  -1.272
  942    HB   VAL 116           HB       VAL 116  12.939 -10.292  -2.817
  943   HG11  VAL 116          HG11      VAL 116  12.191 -12.031  -0.473
  944   HG12  VAL 116          HG12      VAL 116  12.256 -12.548  -2.156
  945   HG13  VAL 116          HG13      VAL 116  13.731 -12.042  -1.331
  946   HG21  VAL 116          HG21      VAL 116  10.573 -10.883  -2.839
  947   HG22  VAL 116          HG22      VAL 116  10.410 -10.314  -1.178
  948   HG23  VAL 116          HG23      VAL 116  10.801  -9.174  -2.466
  949    H    THR 117           H        THR 117  11.268  -7.777   0.065
  950    HA   THR 117           HA       THR 117  11.197  -9.006   2.706
  951    HB   THR 117           HB       THR 117   9.949  -6.456   1.664
  952    HG1  THR 117           HG1      THR 117  12.285  -7.151   3.050
  953   HG21  THR 117          HG21      THR 117   9.405  -5.969   4.009
  954   HG22  THR 117          HG22      THR 117  10.001  -7.561   4.482
  955   HG23  THR 117          HG23      THR 117   8.573  -7.422   3.455
  956    H    GLU 118           H        GLU 118   9.974 -10.705   2.807
  957    HA   GLU 118           HA       GLU 118   7.307 -10.651   1.539
  958    HB2  GLU 118           HB2      GLU 118   8.880 -13.102   2.347
  959    HB3  GLU 118           HB3      GLU 118   7.387 -13.059   1.423
  960    HG2  GLU 118           HG2      GLU 118   8.581 -11.955  -0.414
  961    HG3  GLU 118           HG3      GLU 118  10.077 -12.066   0.514
  962    H    GLU 119           H        GLU 119   5.756 -10.279   2.979
  963    HA   GLU 119           HA       GLU 119   5.766 -11.820   5.400
  964    HB2  GLU 119           HB2      GLU 119   5.585  -9.865   6.895
  965    HB3  GLU 119           HB3      GLU 119   7.181 -10.049   6.175
  966    HG2  GLU 119           HG2      GLU 119   6.778  -8.270   4.641
  967    HG3  GLU 119           HG3      GLU 119   5.080  -8.182   5.108
  968    H    TRP 120           H        TRP 120   3.937 -11.543   6.636
  969    HA   TRP 120           HA       TRP 120   1.584 -10.819   5.078
  970    HB2  TRP 120           HB2      TRP 120   1.650 -11.919   7.899
  971    HB3  TRP 120           HB3      TRP 120   0.308 -11.953   6.765
  972    HD1  TRP 120           HD1      TRP 120   1.714 -14.510   8.288
  973    HE1  TRP 120           HE1      TRP 120   2.437 -16.517   6.843
  974    HE3  TRP 120           HE3      TRP 120   2.002 -12.178   3.750
  975    HZ2  TRP 120           HZ2      TRP 120   3.054 -17.030   4.134
  976    HZ3  TRP 120           HZ3      TRP 120   2.659 -13.481   1.786
  977    HH2  TRP 120           HH2      TRP 120   3.185 -15.869   1.970
  978    H    ARG 121           H        ARG 121   1.120  -8.674   5.136
  979    HA   ARG 121           HA       ARG 121   1.810  -7.249   7.620
  980    HB2  ARG 121           HB2      ARG 121   3.128  -6.518   5.713
  981    HB3  ARG 121           HB3      ARG 121   1.666  -6.269   4.767
  982    HG2  ARG 121           HG2      ARG 121   2.628  -4.169   5.588
  983    HG3  ARG 121           HG3      ARG 121   0.988  -4.439   6.167
  984    HD2  ARG 121           HD2      ARG 121   2.352  -3.562   7.955
  985    HD3  ARG 121           HD3      ARG 121   1.907  -5.228   8.316
  986    HE   ARG 121           HE       ARG 121   4.251  -5.717   7.338
  987   HH11  ARG 121          HH12      ARG 121   3.382  -2.898   9.262
  988   HH12  ARG 121          HH11      ARG 121   4.988  -2.698   9.907
  989   HH21  ARG 121          HH22      ARG 121   6.314  -5.474   8.192
  990   HH22  ARG 121          HH21      ARG 121   6.662  -4.178   9.305
  991    H    ASP 122           H        ASP 122   0.331  -5.781   8.483
  992    HA   ASP 122           HA       ASP 122  -2.413  -6.591   7.920
  993    HB2  ASP 122           HB2      ASP 122  -1.832  -6.977  10.186
  994    HB3  ASP 122           HB3      ASP 122  -0.951  -5.462  10.310
  995    H    LEU 123           H        LEU 123  -3.745  -5.212   7.026
  996    HA   LEU 123           HA       LEU 123  -3.033  -2.401   6.866
  997    HB2  LEU 123           HB2      LEU 123  -4.877  -4.217   5.442
  998    HB3  LEU 123           HB3      LEU 123  -5.487  -2.595   5.703
  999    HG   LEU 123           HG       LEU 123  -4.012  -1.650   4.231
 1000   HD11  LEU 123          HD11      LEU 123  -2.100  -3.923   4.725
 1001   HD12  LEU 123          HD12      LEU 123  -1.800  -2.520   3.700
 1002   HD13  LEU 123          HD13      LEU 123  -2.002  -2.312   5.443
 1003   HD21  LEU 123          HD21      LEU 123  -3.695  -3.092   2.281
 1004   HD22  LEU 123          HD22      LEU 123  -4.059  -4.509   3.264
 1005   HD23  LEU 123          HD23      LEU 123  -5.306  -3.294   2.972
 1006    H    GLN 124           H        GLN 124  -3.696  -1.095   8.457
 1007    HA   GLN 124           HA       GLN 124  -5.878  -2.030  10.141
 1008    HB2  GLN 124           HB2      GLN 124  -4.982  -0.559  11.854
 1009    HB3  GLN 124           HB3      GLN 124  -3.696  -1.598  11.244
 1010    HG2  GLN 124           HG2      GLN 124  -3.890   0.882   9.785
 1011    HG3  GLN 124           HG3      GLN 124  -3.603   1.145  11.503
 1012   HE21  GLN 124          HE21      GLN 124  -2.482  -1.727   9.868
 1013   HE22  GLN 124          HE22      GLN 124  -0.802  -1.334   9.903
 1014    H    SER 125           H        SER 125  -7.672  -0.835  10.265
 1015    HA   SER 125           HA       SER 125  -8.315   1.116   8.383
 1016    HB2  SER 125           HB2      SER 125  -9.654   0.558  11.043
 1017    HB3  SER 125           HB3      SER 125 -10.367   1.453   9.699
 1018    HG   SER 125           HG       SER 125 -10.328  -0.406   8.467
 1019    H    ALA 126           H        ALA 126  -7.426   3.087   8.272
 1020    HA   ALA 126           HA       ALA 126  -6.863   4.486  10.774
 1021    HB1  ALA 126           HB1      ALA 126  -6.113   5.225   7.944
 1022    HB2  ALA 126           HB2      ALA 126  -5.606   6.062   9.412
 1023    HB3  ALA 126           HB3      ALA 126  -5.063   4.412   9.107
 1024    H    GLU 127           H        GLU 127  -7.944   6.235  11.354
 1025    HA   GLU 127           HA       GLU 127 -10.184   7.092   9.667
 1026    HB2  GLU 127           HB2      GLU 127 -10.523   6.284  12.089
 1027    HB3  GLU 127           HB3      GLU 127  -9.780   7.803  12.571
 1028    HG2  GLU 127           HG2      GLU 127 -11.533   9.026  11.374
 1029    HG3  GLU 127           HG3      GLU 127 -12.281   7.492  10.928
 1030    H    LYS 128           H        LYS 128  -8.807   8.311   8.320
 1031    HA   LYS 128           HA       LYS 128  -7.446  10.580   9.603
 1032    HB2  LYS 128           HB2      LYS 128  -6.010   8.841   8.487
 1033    HB3  LYS 128           HB3      LYS 128  -6.763   9.282   6.962
 1034    HG2  LYS 128           HG2      LYS 128  -5.856  11.508   7.110
 1035    HG3  LYS 128           HG3      LYS 128  -5.196  11.165   8.711
 1036    HD2  LYS 128           HD2      LYS 128  -4.421   9.789   6.138
 1037    HD3  LYS 128           HD3      LYS 128  -3.468  11.005   6.991
 1038    HE2  LYS 128           HE2      LYS 128  -3.234   9.532   8.899
 1039    HE3  LYS 128           HE3      LYS 128  -4.279   8.334   8.138
 1040    HZ1  LYS 128           HZ1      LYS 128  -1.574   9.178   7.258
 1041    HZ2  LYS 128           HZ2      LYS 128  -2.605   8.212   6.322
 1042    HZ3  LYS 128           HZ3      LYS 128  -2.054   7.648   7.821
  Start of MODEL   17
    1    H1   GLU   1           H1       GLU   1 -11.246  -0.996  14.711
    2    H2   GLU   1           H2       GLU   1 -11.574  -0.037  13.347
    3    H3   GLU   1           H3       GLU   1 -10.747   0.624  14.671
    4    HA   GLU   1           HA       GLU   1  -9.292   0.083  12.764
    5    HB2  GLU   1           HB2      GLU   1  -8.772  -0.060  15.386
    6    HB3  GLU   1           HB3      GLU   1  -8.475  -1.740  14.952
    7    HG2  GLU   1           HG2      GLU   1  -7.158  -0.204  13.010
    8    HG3  GLU   1           HG3      GLU   1  -6.812   0.556  14.567
    9    H    LYS   2           H        LYS   2  -7.771  -2.031  12.527
   10    HA   LYS   2           HA       LYS   2  -7.468  -3.944  11.432
   11    HB2  LYS   2           HB2      LYS   2 -10.053  -4.782  12.730
   12    HB3  LYS   2           HB3      LYS   2  -8.885  -5.854  11.962
   13    HG2  LYS   2           HG2      LYS   2  -7.793  -6.023  13.874
   14    HG3  LYS   2           HG3      LYS   2  -7.487  -4.285  13.856
   15    HD2  LYS   2           HD2      LYS   2  -8.651  -5.047  15.904
   16    HD3  LYS   2           HD3      LYS   2  -9.573  -3.861  14.966
   17    HE2  LYS   2           HE2      LYS   2 -11.039  -5.654  15.681
   18    HE3  LYS   2           HE3      LYS   2 -10.829  -5.694  13.926
   19    HZ1  LYS   2           HZ1      LYS   2 -10.686  -7.914  14.819
   20    HZ2  LYS   2           HZ2      LYS   2  -9.463  -7.451  15.900
   21    HZ3  LYS   2           HZ3      LYS   2  -9.164  -7.455  14.234
   22    H    LEU   3           H        LEU   3  -7.591  -3.112   9.507
   23    HA   LEU   3           HA       LEU   3  -9.987  -2.954   8.014
   24    HB2  LEU   3           HB2      LEU   3  -8.623  -1.289   7.275
   25    HB3  LEU   3           HB3      LEU   3  -7.155  -2.179   7.634
   26    HG   LEU   3           HG       LEU   3  -8.850  -2.940   5.278
   27   HD11  LEU   3          HD11      LEU   3  -7.479  -1.459   3.884
   28   HD12  LEU   3          HD12      LEU   3  -8.476  -0.561   5.031
   29   HD13  LEU   3          HD13      LEU   3  -6.758  -0.786   5.347
   30   HD21  LEU   3          HD21      LEU   3  -7.071  -4.461   5.897
   31   HD22  LEU   3          HD22      LEU   3  -6.674  -3.652   4.381
   32   HD23  LEU   3          HD23      LEU   3  -5.908  -3.136   5.886
   33    H    GLY   4           H        GLY   4  -7.988  -5.437   8.940
   34    HA2  GLY   4           HA3      GLY   4  -7.727  -7.579   7.931
   35    HA3  GLY   4           HA2      GLY   4  -8.231  -6.877   6.391
   36    H    LYS   5           H        LYS   5  -6.301  -7.607   5.274
   37    HA   LYS   5           HA       LYS   5  -3.851  -6.269   6.088
   38    HB2  LYS   5           HB2      LYS   5  -3.857  -9.293   6.043
   39    HB3  LYS   5           HB3      LYS   5  -2.511  -8.242   6.438
   40    HG2  LYS   5           HG2      LYS   5  -3.764  -7.469   8.434
   41    HG3  LYS   5           HG3      LYS   5  -5.008  -8.661   8.064
   42    HD2  LYS   5           HD2      LYS   5  -3.547  -9.583   9.728
   43    HD3  LYS   5           HD3      LYS   5  -3.260 -10.432   8.207
   44    HE2  LYS   5           HE2      LYS   5  -1.272  -9.122   7.806
   45    HE3  LYS   5           HE3      LYS   5  -1.584  -8.147   9.241
   46    HZ1  LYS   5           HZ1      LYS   5   0.069  -9.764   9.764
   47    HZ2  LYS   5           HZ2      LYS   5  -0.883 -11.033   9.157
   48    HZ3  LYS   5           HZ3      LYS   5  -1.357 -10.217  10.562
   49    H    LEU   6           H        LEU   6  -2.057  -6.755   4.592
   50    HA   LEU   6           HA       LEU   6  -3.009  -7.698   1.998
   51    HB2  LEU   6           HB2      LEU   6  -2.792  -5.673   1.060
   52    HB3  LEU   6           HB3      LEU   6  -2.667  -5.071   2.696
   53    HG   LEU   6           HG       LEU   6  -0.108  -5.879   1.602
   54   HD11  LEU   6          HD11      LEU   6  -1.205  -5.029  -0.439
   55   HD12  LEU   6          HD12      LEU   6  -1.557  -3.518   0.417
   56   HD13  LEU   6          HD13      LEU   6   0.117  -3.995   0.108
   57   HD21  LEU   6          HD21      LEU   6  -0.378  -4.667   3.726
   58   HD22  LEU   6          HD22      LEU   6   0.500  -3.668   2.567
   59   HD23  LEU   6          HD23      LEU   6  -1.212  -3.351   2.891
   60    H    GLN   7           H        GLN   7  -1.833  -9.397   1.607
   61    HA   GLN   7           HA       GLN   7   0.812  -9.538   2.829
   62    HB2  GLN   7           HB2      GLN   7  -0.561 -11.831   1.449
   63    HB3  GLN   7           HB3      GLN   7   0.615 -11.876   2.749
   64    HG2  GLN   7           HG2      GLN   7  -1.194 -12.325   4.001
   65    HG3  GLN   7           HG3      GLN   7  -1.359 -10.571   4.002
   66   HE21  GLN   7          HE21      GLN   7  -2.083 -10.812   1.048
   67   HE22  GLN   7          HE22      GLN   7  -3.762 -11.242   1.078
   68    H    TYR   8           H        TYR   8   2.337  -8.627   1.400
   69    HA   TYR   8           HA       TYR   8   3.030 -10.629  -0.419
   70    HB2  TYR   8           HB2      TYR   8   1.567  -9.134  -1.874
   71    HB3  TYR   8           HB3      TYR   8   3.036  -8.155  -1.998
   72    HD1  TYR   8           HD2      TYR   8   2.820 -11.882  -1.707
   73    HD2  TYR   8           HD1      TYR   8   3.740  -8.560  -4.199
   74    HE1  TYR   8           HE2      TYR   8   3.724 -13.410  -3.407
   75    HE2  TYR   8           HE1      TYR   8   4.637 -10.078  -5.905
   76    HH   TYR   8           HH       TYR   8   5.653 -12.443  -5.914
   77    H    SER   9           H        SER   9   4.796  -8.825  -2.018
   78    HA   SER   9           HA       SER   9   7.071  -8.920  -0.222
   79    HB2  SER   9           HB2      SER   9   6.850 -11.244  -1.067
   80    HB3  SER   9           HB3      SER   9   6.831 -10.633  -2.721
   81    HG   SER   9           HG       SER   9   8.972  -9.854  -1.121
   82    H    LEU  10           H        LEU  10   8.192  -7.199  -0.738
   83    HA   LEU  10           HA       LEU  10   8.388  -6.176  -3.458
   84    HB2  LEU  10           HB2      LEU  10   8.977  -4.069  -1.775
   85    HB3  LEU  10           HB3      LEU  10   7.476  -4.321  -2.647
   86    HG   LEU  10           HG       LEU  10   7.876  -5.496   0.093
   87   HD11  LEU  10          HD11      LEU  10   6.665  -2.844  -0.526
   88   HD12  LEU  10          HD12      LEU  10   6.963  -3.559   1.059
   89   HD13  LEU  10          HD13      LEU  10   8.323  -3.045   0.054
   90   HD21  LEU  10          HD21      LEU  10   5.439  -5.342   0.171
   91   HD22  LEU  10          HD22      LEU  10   5.435  -4.609  -1.438
   92   HD23  LEU  10          HD23      LEU  10   5.965  -6.277  -1.232
   93    H    ASP  11           H        ASP  11  10.484  -5.479  -4.199
   94    HA   ASP  11           HA       ASP  11  12.743  -6.327  -2.443
   95    HB2  ASP  11           HB2      ASP  11  12.419  -8.125  -4.007
   96    HB3  ASP  11           HB3      ASP  11  12.168  -7.012  -5.339
   97    H    TYR  12           H        TYR  12  14.913  -5.416  -3.754
   98    HA   TYR  12           HA       TYR  12  14.132  -2.713  -4.718
   99    HB2  TYR  12           HB2      TYR  12  16.077  -1.772  -3.729
  100    HB3  TYR  12           HB3      TYR  12  15.347  -2.785  -2.490
  101    HD1  TYR  12           HD1      TYR  12  16.292  -5.220  -2.326
  102    HD2  TYR  12           HD2      TYR  12  18.337  -1.982  -4.168
  103    HE1  TYR  12           HE1      TYR  12  18.430  -6.390  -1.998
  104    HE2  TYR  12           HE2      TYR  12  20.471  -3.143  -3.851
  105    HH   TYR  12           HH       TYR  12  21.445  -4.838  -2.443
  106    H    ASP  13           H        ASP  13  14.542  -2.324  -6.735
  107    HA   ASP  13           HA       ASP  13  16.599  -3.844  -8.160
  108    HB2  ASP  13           HB2      ASP  13  14.479  -3.286  -9.360
  109    HB3  ASP  13           HB3      ASP  13  14.830  -1.576  -9.142
  110    H    PHE  14           H        PHE  14  18.676  -3.002  -8.366
  111    HA   PHE  14           HA       PHE  14  18.945  -0.689  -6.629
  112    HB2  PHE  14           HB2      PHE  14  20.213  -2.742  -6.091
  113    HB3  PHE  14           HB3      PHE  14  21.090  -2.579  -7.609
  114    HD1  PHE  14           HD1      PHE  14  20.438  -0.894  -4.367
  115    HD2  PHE  14           HD2      PHE  14  22.983  -1.225  -7.762
  116    HE1  PHE  14           HE1      PHE  14  22.103   0.535  -3.256
  117    HE2  PHE  14           HE2      PHE  14  24.650   0.203  -6.655
  118    HZ   PHE  14           HZ       PHE  14  24.172   1.126  -4.393
  119    H    GLN  15           H        GLN  15  19.466  -1.478 -10.070
  120    HA   GLN  15           HA       GLN  15  21.013   0.971 -10.188
  121    HB2  GLN  15           HB2      GLN  15  20.983   0.389 -12.720
  122    HB3  GLN  15           HB3      GLN  15  22.033  -0.455 -11.606
  123    HG2  GLN  15           HG2      GLN  15  21.087  -2.008 -13.156
  124    HG3  GLN  15           HG3      GLN  15  20.467  -2.324 -11.548
  125   HE21  GLN  15          HE21      GLN  15  19.105   0.343 -13.328
  126   HE22  GLN  15          HE22      GLN  15  17.609  -0.452 -13.694
  127    H    ASN  16           H        ASN  16  17.597   0.463 -10.303
  128    HA   ASN  16           HA       ASN  16  17.811   3.279 -11.069
  129    HB2  ASN  16           HB2      ASN  16  15.251   3.078 -10.883
  130    HB3  ASN  16           HB3      ASN  16  16.045   2.386 -12.284
  131   HD21  ASN  16          HD21      ASN  16  14.531   0.871 -12.724
  132   HD22  ASN  16          HD22      ASN  16  14.218  -0.483 -11.685
  133    H    ASN  17           H        ASN  17  17.952   1.195  -8.629
  134    HA   ASN  17           HA       ASN  17  17.881   1.148  -6.444
  135    HB2  ASN  17           HB2      ASN  17  19.428   3.266  -7.026
  136    HB3  ASN  17           HB3      ASN  17  18.192   4.025  -6.017
  137   HD21  ASN  17          HD21      ASN  17  17.656   1.495  -4.658
  138   HD22  ASN  17          HD22      ASN  17  18.966   1.237  -3.550
  139    H    GLN  18           H        GLN  18  15.592   0.737  -7.059
  140    HA   GLN  18           HA       GLN  18  13.789   2.604  -5.653
  141    HB2  GLN  18           HB2      GLN  18  12.077   2.016  -7.233
  142    HB3  GLN  18           HB3      GLN  18  13.475   2.511  -8.165
  143    HG2  GLN  18           HG2      GLN  18  13.908   0.372  -8.883
  144    HG3  GLN  18           HG3      GLN  18  13.074  -0.365  -7.518
  145   HE21  GLN  18          HE21      GLN  18  10.823  -0.416  -7.503
  146   HE22  GLN  18          HE22      GLN  18   9.942  -0.386  -8.981
  147    H    LEU  19           H        LEU  19  11.893   1.392  -4.534
  148    HA   LEU  19           HA       LEU  19  12.725  -1.421  -4.163
  149    HB2  LEU  19           HB2      LEU  19  10.321   0.078  -3.106
  150    HB3  LEU  19           HB3      LEU  19  10.695  -1.597  -2.739
  151    HG   LEU  19           HG       LEU  19  12.353   0.801  -1.990
  152   HD11  LEU  19          HD11      LEU  19  10.318   0.565  -0.665
  153   HD12  LEU  19          HD12      LEU  19  10.716  -1.121  -0.333
  154   HD13  LEU  19          HD13      LEU  19  11.737   0.168   0.304
  155   HD21  LEU  19          HD21      LEU  19  13.787  -1.081  -2.485
  156   HD22  LEU  19          HD22      LEU  19  13.729  -0.812  -0.742
  157   HD23  LEU  19          HD23      LEU  19  12.806  -2.131  -1.462
  158    H    LEU  20           H        LEU  20  11.794  -3.119  -5.332
  159    HA   LEU  20           HA       LEU  20   9.111  -2.748  -6.456
  160    HB2  LEU  20           HB2      LEU  20  11.047  -2.361  -7.966
  161    HB3  LEU  20           HB3      LEU  20  11.279  -4.073  -7.915
  162    HG   LEU  20           HG       LEU  20   9.117  -4.438  -8.939
  163   HD11  LEU  20          HD11      LEU  20   8.826  -1.438  -8.868
  164   HD12  LEU  20          HD12      LEU  20   7.772  -2.532  -9.766
  165   HD13  LEU  20          HD13      LEU  20   7.841  -2.625  -8.005
  166   HD21  LEU  20          HD21      LEU  20  10.762  -2.380 -10.403
  167   HD22  LEU  20          HD22      LEU  20  10.976  -4.129 -10.445
  168   HD23  LEU  20          HD23      LEU  20   9.530  -3.401 -11.144
  169    H    VAL  21           H        VAL  21   8.227  -4.280  -5.201
  170    HA   VAL  21           HA       VAL  21   7.960  -6.513  -6.834
  171    HB   VAL  21           HB       VAL  21   8.451  -7.506  -4.007
  172   HG11  VAL  21          HG11      VAL  21   6.611  -8.620  -5.185
  173   HG12  VAL  21          HG12      VAL  21   7.661  -8.906  -6.573
  174   HG13  VAL  21          HG13      VAL  21   7.996  -9.701  -5.035
  175   HG21  VAL  21          HG21      VAL  21  10.580  -7.160  -5.203
  176   HG22  VAL  21          HG22      VAL  21  10.223  -8.869  -4.954
  177   HG23  VAL  21          HG23      VAL  21   9.966  -8.137  -6.538
  178    H    GLY  22           H        GLY  22   5.932  -6.504  -7.168
  179    HA2  GLY  22           HA3      GLY  22   4.479  -4.814  -5.356
  180    HA3  GLY  22           HA2      GLY  22   4.102  -4.956  -7.091
  181    H    ILE  23           H        ILE  23   2.562  -5.150  -4.576
  182    HA   ILE  23           HA       ILE  23   2.924  -7.795  -3.537
  183    HB   ILE  23           HB       ILE  23   1.165  -7.065  -1.871
  184   HG12  ILE  23          HG12      ILE  23   0.871  -4.469  -1.961
  185   HG13  ILE  23          HG13      ILE  23   1.180  -4.664  -3.681
  186   HG21  ILE  23          HG21      ILE  23   3.497  -5.215  -2.330
  187   HG22  ILE  23          HG22      ILE  23   2.618  -5.413  -0.813
  188   HG23  ILE  23          HG23      ILE  23   3.546  -6.759  -1.477
  189   HD11  ILE  23          HD11      ILE  23  -1.067  -5.914  -2.115
  190   HD12  ILE  23          HD12      ILE  23  -1.188  -4.564  -3.242
  191   HD13  ILE  23          HD13      ILE  23  -0.756  -6.168  -3.832
  192    H    ILE  24           H        ILE  24   0.079  -8.175  -2.407
  193    HA   ILE  24           HA       ILE  24  -1.015  -9.274  -4.929
  194    HB   ILE  24           HB       ILE  24  -1.453 -10.534  -2.220
  195   HG12  ILE  24          HG12      ILE  24   0.353 -11.412  -4.487
  196   HG13  ILE  24          HG13      ILE  24   0.901 -10.777  -2.939
  197   HG21  ILE  24          HG21      ILE  24  -3.256 -10.915  -3.815
  198   HG22  ILE  24          HG22      ILE  24  -2.091 -11.438  -5.031
  199   HG23  ILE  24          HG23      ILE  24  -2.337 -12.400  -3.574
  200   HD11  ILE  24          HD11      ILE  24   1.076 -13.202  -3.028
  201   HD12  ILE  24          HD12      ILE  24  -0.081 -12.692  -1.799
  202   HD13  ILE  24          HD13      ILE  24  -0.656 -13.322  -3.342
  203    H    GLN  25           H        GLN  25  -2.276  -8.945  -1.667
  204    HA   GLN  25           HA       GLN  25  -4.500  -7.388  -2.608
  205    HB2  GLN  25           HB2      GLN  25  -6.019  -9.196  -1.623
  206    HB3  GLN  25           HB3      GLN  25  -5.373  -9.439  -3.233
  207    HG2  GLN  25           HG2      GLN  25  -4.898 -11.481  -2.477
  208    HG3  GLN  25           HG3      GLN  25  -3.496 -10.695  -1.758
  209   HE21  GLN  25          HE21      GLN  25  -5.173  -9.291   0.177
  210   HE22  GLN  25          HE22      GLN  25  -5.511 -10.470   1.385
  211    H    ALA  26           H        ALA  26  -5.708  -6.580  -1.088
  212    HA   ALA  26           HA       ALA  26  -4.980  -7.109   1.703
  213    HB1  ALA  26           HB1      ALA  26  -6.563  -4.825   0.507
  214    HB2  ALA  26           HB2      ALA  26  -6.254  -5.058   2.227
  215    HB3  ALA  26           HB3      ALA  26  -4.914  -4.734   1.126
  216    H    ALA  27           H        ALA  27  -6.755  -7.732   3.072
  217    HA   ALA  27           HA       ALA  27  -8.917  -8.933   1.504
  218    HB1  ALA  27           HB1      ALA  27  -7.174 -10.567   1.955
  219    HB2  ALA  27           HB2      ALA  27  -7.358 -10.279   3.689
  220    HB3  ALA  27           HB3      ALA  27  -8.685 -10.985   2.763
  221    H    GLU  28           H        GLU  28 -10.901  -8.551   2.202
  222    HA   GLU  28           HA       GLU  28 -12.704  -8.420   3.582
  223    HB2  GLU  28           HB2      GLU  28 -10.747  -9.145   5.770
  224    HB3  GLU  28           HB3      GLU  28 -12.492  -9.093   5.953
  225    HG2  GLU  28           HG2      GLU  28 -12.785 -10.953   4.515
  226    HG3  GLU  28           HG3      GLU  28 -11.097 -10.900   4.003
  227    H    LEU  29           H        LEU  29 -11.620  -6.058   2.852
  228    HA   LEU  29           HA       LEU  29 -11.137  -4.499   5.269
  229    HB2  LEU  29           HB2      LEU  29 -11.308  -3.268   2.544
  230    HB3  LEU  29           HB3      LEU  29 -10.318  -2.801   3.914
  231    HG   LEU  29           HG       LEU  29  -9.799  -4.913   1.848
  232   HD11  LEU  29          HD11      LEU  29  -8.267  -2.636   3.043
  233   HD12  LEU  29          HD12      LEU  29  -7.515  -3.884   2.045
  234   HD13  LEU  29          HD13      LEU  29  -8.782  -2.855   1.365
  235   HD21  LEU  29          HD21      LEU  29  -8.507  -4.805   4.568
  236   HD22  LEU  29          HD22      LEU  29  -9.479  -6.124   3.911
  237   HD23  LEU  29          HD23      LEU  29  -7.916  -5.741   3.187
  238    HA   PRO  30           HA       PRO  30 -15.203  -3.110   5.962
  239    HB2  PRO  30           HB2      PRO  30 -14.254  -0.292   5.919
  240    HB3  PRO  30           HB3      PRO  30 -15.111  -1.175   7.186
  241    HG2  PRO  30           HG2      PRO  30 -12.517  -0.642   7.426
  242    HG3  PRO  30           HG3      PRO  30 -13.178  -2.197   7.963
  243    HD2  PRO  30           HD2      PRO  30 -11.628  -1.548   5.491
  244    HD3  PRO  30           HD3      PRO  30 -11.542  -2.984   6.533
  245    H    ALA  31           H        ALA  31 -16.985  -2.624   4.844
  246    HA   ALA  31           HA       ALA  31 -16.858  -1.783   2.126
  247    HB1  ALA  31           HB1      ALA  31 -19.243  -2.139   2.143
  248    HB2  ALA  31           HB2      ALA  31 -18.439  -3.442   3.019
  249    HB3  ALA  31           HB3      ALA  31 -19.256  -2.154   3.906
  250    H    LEU  32           H        LEU  32 -16.909   0.222   1.308
  251    HA   LEU  32           HA       LEU  32 -18.378   2.338   2.763
  252    HB2  LEU  32           HB2      LEU  32 -15.991   2.519   0.961
  253    HB3  LEU  32           HB3      LEU  32 -17.068   3.885   1.225
  254    HG   LEU  32           HG       LEU  32 -16.593   3.619   3.670
  255   HD11  LEU  32          HD11      LEU  32 -14.406   1.806   2.728
  256   HD12  LEU  32          HD12      LEU  32 -14.703   2.320   4.390
  257   HD13  LEU  32          HD13      LEU  32 -15.877   1.286   3.558
  258   HD21  LEU  32          HD21      LEU  32 -14.403   4.729   3.588
  259   HD22  LEU  32          HD22      LEU  32 -14.236   4.240   1.903
  260   HD23  LEU  32          HD23      LEU  32 -15.505   5.371   2.372
  261    H    ASP  33           H        ASP  33 -19.747   0.602   1.139
  262    HA   ASP  33           HA       ASP  33 -20.466   2.360  -1.061
  263    HB2  ASP  33           HB2      ASP  33 -19.023   1.033  -2.293
  264    HB3  ASP  33           HB3      ASP  33 -19.327  -0.394  -1.313
  265    H    MET  34           H        MET  34 -22.439   2.038  -1.878
  266    HA   MET  34           HA       MET  34 -24.374   0.999  -0.013
  267    HB2  MET  34           HB2      MET  34 -24.762   2.279  -2.724
  268    HB3  MET  34           HB3      MET  34 -26.051   1.900  -1.590
  269    HG2  MET  34           HG2      MET  34 -23.802   3.851  -1.165
  270    HG3  MET  34           HG3      MET  34 -25.498   4.237  -1.454
  271    HE1  MET  34           HE1      MET  34 -24.860   5.261   2.299
  272    HE2  MET  34           HE2      MET  34 -23.685   5.334   0.986
  273    HE3  MET  34           HE3      MET  34 -25.353   5.830   0.703
  274    H    GLY  35           H        GLY  35 -23.156  -1.080  -0.477
  275    HA2  GLY  35           HA3      GLY  35 -25.106  -2.870  -1.517
  276    HA3  GLY  35           HA2      GLY  35 -23.663  -2.830  -2.530
  277    H    GLY  36           H        GLY  36 -23.277  -2.060   0.748
  278    HA2  GLY  36           HA3      GLY  36 -22.005  -2.958   2.412
  279    HA3  GLY  36           HA2      GLY  36 -22.806  -4.476   2.018
  280    H    THR  37           H        THR  37 -20.649  -2.527   0.055
  281    HA   THR  37           HA       THR  37 -18.500  -4.440   0.382
  282    HB   THR  37           HB       THR  37 -18.025  -4.434  -2.073
  283    HG1  THR  37           HG1      THR  37 -19.673  -2.570  -2.228
  284   HG21  THR  37          HG21      THR  37 -19.724  -6.090  -2.714
  285   HG22  THR  37          HG22      THR  37 -20.691  -5.629  -1.312
  286   HG23  THR  37          HG23      THR  37 -19.111  -6.379  -1.086
  287    H    SER  38           H        SER  38 -16.548  -3.356  -0.913
  288    HA   SER  38           HA       SER  38 -16.731  -0.464  -0.528
  289    HB2  SER  38           HB2      SER  38 -14.464  -0.530   0.411
  290    HB3  SER  38           HB3      SER  38 -15.566  -1.528   1.357
  291    HG   SER  38           HG       SER  38 -13.305  -2.225   0.171
  292    H    ASP  39           H        ASP  39 -14.916   0.699  -1.648
  293    HA   ASP  39           HA       ASP  39 -14.115  -0.728  -4.108
  294    HB2  ASP  39           HB2      ASP  39 -14.562   2.247  -3.710
  295    HB3  ASP  39           HB3      ASP  39 -13.911   1.522  -5.171
  296    HA   PRO  40           HA       PRO  40 -10.476   0.004  -1.247
  297    HB2  PRO  40           HB2      PRO  40  -9.291  -2.330  -2.330
  298    HB3  PRO  40           HB3      PRO  40  -9.999  -2.121  -0.731
  299    HG2  PRO  40           HG2      PRO  40 -11.124  -3.438  -3.105
  300    HG3  PRO  40           HG3      PRO  40 -11.575  -3.589  -1.405
  301    HD2  PRO  40           HD2      PRO  40 -13.047  -2.297  -3.313
  302    HD3  PRO  40           HD3      PRO  40 -13.156  -2.003  -1.569
  303    H    TYR  41           H        TYR  41  -8.594   0.887  -1.677
  304    HA   TYR  41           HA       TYR  41  -7.062   0.368  -4.026
  305    HB2  TYR  41           HB2      TYR  41  -8.308   2.054  -5.110
  306    HB3  TYR  41           HB3      TYR  41  -8.533   2.974  -3.634
  307    HD1  TYR  41           HD2      TYR  41  -6.489   4.190  -2.679
  308    HD2  TYR  41           HD1      TYR  41  -6.614   2.618  -6.623
  309    HE1  TYR  41           HE2      TYR  41  -4.634   5.665  -3.322
  310    HE2  TYR  41           HE1      TYR  41  -4.773   4.085  -7.284
  311    HH   TYR  41           HH       TYR  41  -2.854   5.753  -5.016
  312    H    VAL  42           H        VAL  42  -5.000   0.382  -3.259
  313    HA   VAL  42           HA       VAL  42  -4.608   1.638  -0.651
  314    HB   VAL  42           HB       VAL  42  -4.379  -0.820  -0.686
  315   HG11  VAL  42          HG11      VAL  42  -1.974  -0.310  -2.423
  316   HG12  VAL  42          HG12      VAL  42  -2.366  -1.845  -1.648
  317   HG13  VAL  42          HG13      VAL  42  -3.440  -1.178  -2.878
  318   HG21  VAL  42          HG21      VAL  42  -1.896   0.732   0.003
  319   HG22  VAL  42          HG22      VAL  42  -3.307   0.482   1.031
  320   HG23  VAL  42          HG23      VAL  42  -2.283  -0.885   0.591
  321    H    LYS  43           H        LYS  43  -3.609   3.469  -0.713
  322    HA   LYS  43           HA       LYS  43  -1.531   3.912  -2.748
  323    HB2  LYS  43           HB2      LYS  43  -1.752   6.325  -2.063
  324    HB3  LYS  43           HB3      LYS  43  -3.135   5.618  -2.888
  325    HG2  LYS  43           HG2      LYS  43  -4.292   5.351  -0.764
  326    HG3  LYS  43           HG3      LYS  43  -2.887   6.022   0.087
  327    HD2  LYS  43           HD2      LYS  43  -4.451   7.440  -2.033
  328    HD3  LYS  43           HD3      LYS  43  -4.677   7.688  -0.303
  329    HE2  LYS  43           HE2      LYS  43  -2.448   8.546  -0.087
  330    HE3  LYS  43           HE3      LYS  43  -2.065   8.106  -1.750
  331    HZ1  LYS  43           HZ1      LYS  43  -3.738   9.708  -2.495
  332    HZ2  LYS  43           HZ2      LYS  43  -2.508  10.448  -1.599
  333    HZ3  LYS  43           HZ3      LYS  43  -4.020  10.171  -0.885
  334    H    VAL  44           H        VAL  44   0.540   4.002  -2.199
  335    HA   VAL  44           HA       VAL  44   1.222   4.375   0.650
  336    HB   VAL  44           HB       VAL  44   2.644   2.849  -1.502
  337   HG11  VAL  44          HG11      VAL  44   4.317   4.463  -0.713
  338   HG12  VAL  44          HG12      VAL  44   3.987   3.991   0.954
  339   HG13  VAL  44          HG13      VAL  44   4.700   2.830  -0.166
  340   HG21  VAL  44          HG21      VAL  44   2.173   2.360   1.421
  341   HG22  VAL  44          HG22      VAL  44   1.237   1.679   0.089
  342   HG23  VAL  44          HG23      VAL  44   2.934   1.241   0.290
  343    H    PHE  45           H        PHE  45   2.308   6.157   1.259
  344    HA   PHE  45           HA       PHE  45   3.954   7.423  -0.754
  345    HB2  PHE  45           HB2      PHE  45   3.127   9.684  -0.087
  346    HB3  PHE  45           HB3      PHE  45   1.929   8.728  -0.943
  347    HD1  PHE  45           HD2      PHE  45   0.066   7.667   0.357
  348    HD2  PHE  45           HD1      PHE  45   2.724  10.513   2.073
  349    HE1  PHE  45           HE2      PHE  45  -1.556   8.087   2.160
  350    HE2  PHE  45           HE1      PHE  45   1.105  10.943   3.877
  351    HZ   PHE  45           HZ       PHE  45  -1.039   9.729   3.921
  352    H    LEU  46           H        LEU  46   5.207   9.159   0.412
  353    HA   LEU  46           HA       LEU  46   6.191   7.966   2.880
  354    HB2  LEU  46           HB2      LEU  46   7.950   8.708   0.554
  355    HB3  LEU  46           HB3      LEU  46   8.490   8.163   2.120
  356    HG   LEU  46           HG       LEU  46   7.503   6.611  -0.187
  357   HD11  LEU  46          HD11      LEU  46   9.824   6.636   0.418
  358   HD12  LEU  46          HD12      LEU  46   9.442   6.115   2.064
  359   HD13  LEU  46          HD13      LEU  46   9.156   5.030   0.701
  360   HD21  LEU  46          HD21      LEU  46   6.830   4.711   1.182
  361   HD22  LEU  46          HD22      LEU  46   6.972   5.695   2.640
  362   HD23  LEU  46          HD23      LEU  46   5.749   6.082   1.430
  363    H    LEU  47           H        LEU  47   7.973   9.239   3.826
  364    HA   LEU  47           HA       LEU  47   7.361  11.995   4.180
  365    HB2  LEU  47           HB2      LEU  47   8.682  10.274   5.649
  366    HB3  LEU  47           HB3      LEU  47  10.049  10.677   4.635
  367    HG   LEU  47           HG       LEU  47   9.760  13.063   5.369
  368   HD11  LEU  47          HD11      LEU  47   8.511  13.441   7.450
  369   HD12  LEU  47          HD12      LEU  47   7.460  12.956   6.119
  370   HD13  LEU  47          HD13      LEU  47   7.897  11.789   7.367
  371   HD21  LEU  47          HD21      LEU  47  10.356  11.007   7.493
  372   HD22  LEU  47          HD22      LEU  47  11.487  11.609   6.281
  373   HD23  LEU  47          HD23      LEU  47  10.860  12.697   7.519
  374    HA   PRO  48           HA       PRO  48   8.590  14.660   1.100
  375    HB2  PRO  48           HB2      PRO  48  11.431  14.919   1.850
  376    HB3  PRO  48           HB3      PRO  48  10.194  16.156   1.627
  377    HG2  PRO  48           HG2      PRO  48  11.015  14.868   4.064
  378    HG3  PRO  48           HG3      PRO  48   9.827  16.163   3.852
  379    HD2  PRO  48           HD2      PRO  48   9.171  13.662   4.691
  380    HD3  PRO  48           HD3      PRO  48   8.062  14.694   3.766
  381    H    ASP  49           H        ASP  49  11.473  12.388   1.184
  382    HA   ASP  49           HA       ASP  49  11.922  12.753  -1.565
  383    HB2  ASP  49           HB2      ASP  49  12.627  10.462   0.262
  384    HB3  ASP  49           HB3      ASP  49  13.114  10.515  -1.430
  385    H    LYS  50           H        LYS  50  10.134  10.103   0.060
  386    HA   LYS  50           HA       LYS  50   8.184   9.195  -0.459
  387    HB2  LYS  50           HB2      LYS  50   8.212  11.674  -1.847
  388    HB3  LYS  50           HB3      LYS  50   7.403  10.477  -2.855
  389    HG2  LYS  50           HG2      LYS  50   6.568  10.378  -0.054
  390    HG3  LYS  50           HG3      LYS  50   6.239  11.933  -0.840
  391    HD2  LYS  50           HD2      LYS  50   5.538   9.299  -2.073
  392    HD3  LYS  50           HD3      LYS  50   4.438  10.148  -0.984
  393    HE2  LYS  50           HE2      LYS  50   5.601  11.405  -3.461
  394    HE3  LYS  50           HE3      LYS  50   4.071  10.530  -3.460
  395    HZ1  LYS  50           HZ1      LYS  50   4.653  12.877  -1.730
  396    HZ2  LYS  50           HZ2      LYS  50   3.161  12.091  -1.920
  397    HZ3  LYS  50           HZ3      LYS  50   3.829  12.961  -3.207
  398    H    LYS  51           H        LYS  51   9.745   7.515  -0.888
  399    HA   LYS  51           HA       LYS  51   9.749   6.361  -3.454
  400    HB2  LYS  51           HB2      LYS  51  11.554   5.799  -2.022
  401    HB3  LYS  51           HB3      LYS  51  10.491   5.590  -0.638
  402    HG2  LYS  51           HG2      LYS  51   9.572   3.805  -2.470
  403    HG3  LYS  51           HG3      LYS  51  11.323   3.702  -2.632
  404    HD2  LYS  51           HD2      LYS  51   9.753   3.452  -0.070
  405    HD3  LYS  51           HD3      LYS  51  10.471   2.115  -0.964
  406    HE2  LYS  51           HE2      LYS  51  12.099   4.417   0.063
  407    HE3  LYS  51           HE3      LYS  51  11.759   2.991   1.043
  408    HZ1  LYS  51           HZ1      LYS  51  13.182   3.047  -1.564
  409    HZ2  LYS  51           HZ2      LYS  51  12.777   1.640  -0.713
  410    HZ3  LYS  51           HZ3      LYS  51  13.863   2.746  -0.045
  411    H    LYS  52           H        LYS  52   7.583   6.553  -3.855
  412    HA   LYS  52           HA       LYS  52   5.676   5.859  -1.736
  413    HB2  LYS  52           HB2      LYS  52   4.267   7.176  -3.659
  414    HB3  LYS  52           HB3      LYS  52   5.132   7.988  -2.361
  415    HG2  LYS  52           HG2      LYS  52   5.568   8.991  -4.579
  416    HG3  LYS  52           HG3      LYS  52   7.029   8.397  -3.801
  417    HD2  LYS  52           HD2      LYS  52   6.061   6.266  -5.367
  418    HD3  LYS  52           HD3      LYS  52   5.901   7.708  -6.364
  419    HE2  LYS  52           HE2      LYS  52   8.501   6.754  -5.007
  420    HE3  LYS  52           HE3      LYS  52   8.054   6.581  -6.723
  421    HZ1  LYS  52           HZ1      LYS  52   8.090   8.899  -7.066
  422    HZ2  LYS  52           HZ2      LYS  52   9.520   8.518  -6.242
  423    HZ3  LYS  52           HZ3      LYS  52   8.231   9.237  -5.410
  424    H    LYS  53           H        LYS  53   6.042   3.631  -2.368
  425    HA   LYS  53           HA       LYS  53   4.794   2.747  -4.849
  426    HB2  LYS  53           HB2      LYS  53   5.613   0.518  -3.734
  427    HB3  LYS  53           HB3      LYS  53   6.779   1.635  -4.442
  428    HG2  LYS  53           HG2      LYS  53   7.494   2.413  -2.364
  429    HG3  LYS  53           HG3      LYS  53   6.030   1.864  -1.551
  430    HD2  LYS  53           HD2      LYS  53   7.741  -0.209  -2.772
  431    HD3  LYS  53           HD3      LYS  53   8.364   0.607  -1.337
  432    HE2  LYS  53           HE2      LYS  53   7.158  -1.356  -0.652
  433    HE3  LYS  53           HE3      LYS  53   6.252   0.072  -0.164
  434    HZ1  LYS  53           HZ1      LYS  53   4.776  -0.239  -2.036
  435    HZ2  LYS  53           HZ2      LYS  53   4.830  -1.653  -1.105
  436    HZ3  LYS  53           HZ3      LYS  53   5.671  -1.576  -2.567
  437    H    PHE  54           H        PHE  54   2.378   3.455  -3.332
  438    HA   PHE  54           HA       PHE  54   1.790   0.695  -4.109
  439    HB2  PHE  54           HB2      PHE  54   0.445   2.152  -1.892
  440    HB3  PHE  54           HB3      PHE  54  -0.549   1.145  -2.938
  441    HD1  PHE  54           HD1      PHE  54   2.254  -0.620  -3.217
  442    HD2  PHE  54           HD2      PHE  54  -0.447   0.502  -0.141
  443    HE1  PHE  54           HE1      PHE  54   2.922  -2.594  -1.919
  444    HE2  PHE  54           HE2      PHE  54   0.219  -1.467   1.168
  445    HZ   PHE  54           HZ       PHE  54   1.909  -3.020   0.280
  446    H    GLU  55           H        GLU  55   0.262   0.542  -5.910
  447    HA   GLU  55           HA       GLU  55  -1.833   2.477  -5.738
  448    HB2  GLU  55           HB2      GLU  55  -0.151   3.650  -7.210
  449    HB3  GLU  55           HB3      GLU  55  -0.408   2.374  -8.393
  450    HG2  GLU  55           HG2      GLU  55  -2.758   2.968  -8.589
  451    HG3  GLU  55           HG3      GLU  55  -2.563   4.178  -7.316
  452    H    THR  56           H        THR  56  -3.265   0.840  -5.477
  453    HA   THR  56           HA       THR  56  -3.408  -1.295  -7.406
  454    HB   THR  56           HB       THR  56  -5.805  -1.355  -6.074
  455    HG1  THR  56           HG1      THR  56  -4.594  -0.993  -3.814
  456   HG21  THR  56          HG21      THR  56  -4.275  -3.240  -6.332
  457   HG22  THR  56          HG22      THR  56  -4.768  -3.067  -4.647
  458   HG23  THR  56          HG23      THR  56  -3.172  -2.519  -5.160
  459    H    LYS  57           H        LYS  57  -5.048  -1.537  -8.969
  460    HA   LYS  57           HA       LYS  57  -6.490   0.712  -9.901
  461    HB2  LYS  57           HB2      LYS  57  -6.103  -1.306 -11.282
  462    HB3  LYS  57           HB3      LYS  57  -7.094  -2.250 -10.181
  463    HG2  LYS  57           HG2      LYS  57  -8.401  -1.754 -12.098
  464    HG3  LYS  57           HG3      LYS  57  -9.018  -0.775 -10.768
  465    HD2  LYS  57           HD2      LYS  57  -7.694   1.137 -11.621
  466    HD3  LYS  57           HD3      LYS  57  -7.201   0.143 -12.994
  467    HE2  LYS  57           HE2      LYS  57  -9.600  -0.155 -13.564
  468    HE3  LYS  57           HE3      LYS  57 -10.006   0.976 -12.274
  469    HZ1  LYS  57           HZ1      LYS  57  -8.616   2.644 -13.445
  470    HZ2  LYS  57           HZ2      LYS  57  -9.975   2.141 -14.327
  471    HZ3  LYS  57           HZ3      LYS  57  -8.443   1.546 -14.726
  472    H    VAL  58           H        VAL  58  -8.672   1.264  -9.433
  473    HA   VAL  58           HA       VAL  58  -9.424   0.742  -6.740
  474    HB   VAL  58           HB       VAL  58 -11.439   2.096  -7.231
  475   HG11  VAL  58          HG11      VAL  58  -9.346   3.183  -6.600
  476   HG12  VAL  58          HG12      VAL  58  -8.874   3.269  -8.297
  477   HG13  VAL  58          HG13      VAL  58 -10.269   4.181  -7.722
  478   HG21  VAL  58          HG21      VAL  58 -11.842   1.381  -9.530
  479   HG22  VAL  58          HG22      VAL  58 -11.700   3.136  -9.435
  480   HG23  VAL  58          HG23      VAL  58 -10.355   2.173 -10.048
  481    H    HIS  59           H        HIS  59 -10.823  -0.696  -5.902
  482    HA   HIS  59           HA       HIS  59 -11.716  -2.788  -7.773
  483    HB2  HIS  59           HB2      HIS  59 -11.061  -2.862  -4.822
  484    HB3  HIS  59           HB3      HIS  59 -11.801  -4.209  -5.683
  485    HD1  HIS  59           HD1      HIS  59 -10.323  -5.670  -7.110
  486    HD2  HIS  59           HD2      HIS  59  -8.345  -2.362  -5.541
  487    HE1  HIS  59           HE1      HIS  59  -7.882  -6.071  -7.545
  488    HE2  HIS  59           HE2      HIS  59  -6.756  -3.925  -6.854
  489    H    ARG  60           H        ARG  60 -13.770  -2.124  -8.322
  490    HA   ARG  60           HA       ARG  60 -15.458  -1.013  -6.297
  491    HB2  ARG  60           HB2      ARG  60 -17.228  -1.217  -8.207
  492    HB3  ARG  60           HB3      ARG  60 -15.965  -0.002  -8.283
  493    HG2  ARG  60           HG2      ARG  60 -16.078  -0.897 -10.434
  494    HG3  ARG  60           HG3      ARG  60 -14.671  -1.655  -9.691
  495    HD2  ARG  60           HD2      ARG  60 -15.957  -3.658  -9.238
  496    HD3  ARG  60           HD3      ARG  60 -17.402  -2.903  -9.910
  497    HE   ARG  60           HE       ARG  60 -15.772  -2.750 -11.988
  498   HH11  ARG  60          HH12      ARG  60 -16.347  -5.412  -9.796
  499   HH12  ARG  60          HH11      ARG  60 -15.981  -6.638 -10.977
  500   HH21  ARG  60          HH22      ARG  60 -15.298  -4.335 -13.554
  501   HH22  ARG  60          HH21      ARG  60 -15.381  -6.020 -13.127
  502    H    LYS  61           H        LYS  61 -16.587  -1.999  -4.956
  503    HA   LYS  61           HA       LYS  61 -18.183  -3.291  -4.029
  504    HB2  LYS  61           HB2      LYS  61 -18.581  -4.748  -6.631
  505    HB3  LYS  61           HB3      LYS  61 -19.747  -4.461  -5.349
  506    HG2  LYS  61           HG2      LYS  61 -18.747  -2.567  -7.440
  507    HG3  LYS  61           HG3      LYS  61 -20.408  -3.015  -7.044
  508    HD2  LYS  61           HD2      LYS  61 -20.469  -1.649  -5.175
  509    HD3  LYS  61           HD3      LYS  61 -18.710  -1.623  -5.017
  510    HE2  LYS  61           HE2      LYS  61 -18.844  -0.439  -7.353
  511    HE3  LYS  61           HE3      LYS  61 -20.482  -0.056  -6.823
  512    HZ1  LYS  61           HZ1      LYS  61 -19.498   0.897  -4.790
  513    HZ2  LYS  61           HZ2      LYS  61 -19.009   1.706  -6.195
  514    HZ3  LYS  61           HZ3      LYS  61 -17.950   0.629  -5.421
  515    H    THR  62           H        THR  62 -15.682  -4.075  -3.432
  516    HA   THR  62           HA       THR  62 -16.107  -6.872  -2.987
  517    HB   THR  62           HB       THR  62 -14.629  -7.731  -4.446
  518    HG1  THR  62           HG1      THR  62 -12.690  -5.818  -3.633
  519   HG21  THR  62          HG21      THR  62 -13.579  -6.403  -6.206
  520   HG22  THR  62          HG22      THR  62 -14.003  -4.923  -5.345
  521   HG23  THR  62          HG23      THR  62 -15.274  -5.959  -5.996
  522    H    LEU  63           H        LEU  63 -15.661  -7.058  -0.881
  523    HA   LEU  63           HA       LEU  63 -14.015  -5.079   0.429
  524    HB2  LEU  63           HB2      LEU  63 -15.259  -7.570   1.553
  525    HB3  LEU  63           HB3      LEU  63 -14.379  -6.388   2.456
  526    HG   LEU  63           HG       LEU  63 -16.613  -5.968   2.922
  527   HD11  LEU  63          HD11      LEU  63 -15.801  -4.115   0.708
  528   HD12  LEU  63          HD12      LEU  63 -17.079  -3.810   1.887
  529   HD13  LEU  63          HD13      LEU  63 -15.404  -3.959   2.420
  530   HD21  LEU  63          HD21      LEU  63 -17.216  -6.126  -0.021
  531   HD22  LEU  63          HD22      LEU  63 -17.548  -7.392   1.161
  532   HD23  LEU  63          HD23      LEU  63 -18.373  -5.838   1.277
  533    H    ASN  64           H        ASN  64 -13.379  -8.010  -1.124
  534    HA   ASN  64           HA       ASN  64 -10.814  -8.217   0.281
  535    HB2  ASN  64           HB2      ASN  64 -12.589  -9.985   0.945
  536    HB3  ASN  64           HB3      ASN  64 -12.289 -10.667  -0.648
  537   HD21  ASN  64          HD21      ASN  64  -9.474 -10.271  -0.808
  538   HD22  ASN  64          HD22      ASN  64  -8.749 -11.282   0.383
  539    HA   PRO  65           HA       PRO  65 -10.292  -8.138  -4.251
  540    HB2  PRO  65           HB2      PRO  65  -8.779  -5.951  -4.425
  541    HB3  PRO  65           HB3      PRO  65 -10.523  -5.814  -4.171
  542    HG2  PRO  65           HG2      PRO  65  -8.300  -5.501  -2.190
  543    HG3  PRO  65           HG3      PRO  65  -9.798  -4.609  -2.348
  544    HD2  PRO  65           HD2      PRO  65  -9.361  -6.683  -0.576
  545    HD3  PRO  65           HD3      PRO  65 -10.950  -6.065  -1.070
  546    H    VAL  66           H        VAL  66  -8.649  -9.155  -5.264
  547    HA   VAL  66           HA       VAL  66  -5.963  -8.719  -4.215
  548    HB   VAL  66           HB       VAL  66  -5.438 -10.826  -3.829
  549   HG11  VAL  66          HG11      VAL  66  -7.220 -12.527  -3.628
  550   HG12  VAL  66          HG12      VAL  66  -7.676 -10.982  -2.912
  551   HG13  VAL  66          HG13      VAL  66  -8.329 -11.454  -4.480
  552   HG21  VAL  66          HG21      VAL  66  -5.641 -12.661  -5.443
  553   HG22  VAL  66          HG22      VAL  66  -6.659 -11.655  -6.474
  554   HG23  VAL  66          HG23      VAL  66  -4.976 -11.208  -6.190
  555    H    PHE  67           H        PHE  67  -5.159  -7.453  -5.611
  556    HA   PHE  67           HA       PHE  67  -5.676  -8.033  -8.399
  557    HB2  PHE  67           HB2      PHE  67  -5.606  -5.642  -7.267
  558    HB3  PHE  67           HB3      PHE  67  -3.918  -5.752  -7.777
  559    HD1  PHE  67           HD1      PHE  67  -3.735  -6.861 -10.269
  560    HD2  PHE  67           HD2      PHE  67  -6.994  -4.583  -8.762
  561    HE1  PHE  67           HE1      PHE  67  -4.371  -6.254 -12.565
  562    HE2  PHE  67           HE2      PHE  67  -7.638  -3.978 -11.055
  563    HZ   PHE  67           HZ       PHE  67  -6.365  -4.885 -12.966
  564    H    ASN  68           H        ASN  68  -2.891  -8.069  -6.178
  565    HA   ASN  68           HA       ASN  68  -0.703  -8.562  -6.501
  566    HB2  ASN  68           HB2      ASN  68  -1.697 -10.778  -7.163
  567    HB3  ASN  68           HB3      ASN  68  -1.663 -10.216  -8.833
  568   HD21  ASN  68          HD21      ASN  68   0.916  -9.392  -6.628
  569   HD22  ASN  68          HD22      ASN  68   2.105 -10.416  -7.362
  570    H    GLU  69           H        GLU  69  -0.574  -6.332  -7.137
  571    HA   GLU  69           HA       GLU  69   0.295  -6.016  -9.928
  572    HB2  GLU  69           HB2      GLU  69  -0.435  -3.526  -8.561
  573    HB3  GLU  69           HB3      GLU  69  -0.733  -4.031 -10.215
  574    HG2  GLU  69           HG2      GLU  69  -2.582  -5.470  -9.301
  575    HG3  GLU  69           HG3      GLU  69  -2.341  -4.612  -7.772
  576    H    GLN  70           H        GLN  70   2.373  -5.616 -10.037
  577    HA   GLN  70           HA       GLN  70   3.951  -4.905  -7.837
  578    HB2  GLN  70           HB2      GLN  70   4.260  -4.687 -10.744
  579    HB3  GLN  70           HB3      GLN  70   5.538  -4.162  -9.700
  580    HG2  GLN  70           HG2      GLN  70   4.538  -6.925  -9.405
  581    HG3  GLN  70           HG3      GLN  70   5.487  -6.541 -10.845
  582   HE21  GLN  70          HE21      GLN  70   6.690  -4.355  -8.935
  583   HE22  GLN  70          HE22      GLN  70   7.954  -5.258  -8.159
  584    H    PHE  71           H        PHE  71   3.225  -3.064  -6.837
  585    HA   PHE  71           HA       PHE  71   4.096  -0.712  -8.315
  586    HB2  PHE  71           HB2      PHE  71   2.680   0.387  -6.269
  587    HB3  PHE  71           HB3      PHE  71   2.036   0.116  -7.885
  588    HD1  PHE  71           HD2      PHE  71   2.345  -1.461  -4.549
  589    HD2  PHE  71           HD1      PHE  71   0.178  -1.236  -8.188
  590    HE1  PHE  71           HE2      PHE  71   0.620  -2.936  -3.607
  591    HE2  PHE  71           HE1      PHE  71  -1.550  -2.709  -7.254
  592    HZ   PHE  71           HZ       PHE  71  -1.388  -3.491  -4.955
  593    H    THR  72           H        THR  72   6.115  -0.727  -7.819
  594    HA   THR  72           HA       THR  72   6.692   0.039  -5.057
  595    HB   THR  72           HB       THR  72   8.808  -1.601  -6.115
  596    HG1  THR  72           HG1      THR  72   6.316  -2.437  -6.649
  597   HG21  THR  72          HG21      THR  72   8.575  -1.040  -3.759
  598   HG22  THR  72          HG22      THR  72   8.452  -2.786  -3.975
  599   HG23  THR  72          HG23      THR  72   6.998  -1.825  -3.706
  600    H    PHE  73           H        PHE  73   8.484   1.389  -4.823
  601    HA   PHE  73           HA       PHE  73   8.774   2.981  -7.215
  602    HB2  PHE  73           HB2      PHE  73   7.141   3.697  -4.868
  603    HB3  PHE  73           HB3      PHE  73   8.030   4.982  -5.689
  604    HD1  PHE  73           HD1      PHE  73   7.518   5.575  -7.998
  605    HD2  PHE  73           HD2      PHE  73   5.355   2.513  -5.990
  606    HE1  PHE  73           HE1      PHE  73   5.779   5.669  -9.733
  607    HE2  PHE  73           HE2      PHE  73   3.620   2.595  -7.728
  608    HZ   PHE  73           HZ       PHE  73   3.887   4.137  -9.660
  609    H    LYS  74           H        LYS  74  10.017   5.016  -6.847
  610    HA   LYS  74           HA       LYS  74  12.550   3.761  -6.274
  611    HB2  LYS  74           HB2      LYS  74  13.478   5.351  -7.947
  612    HB3  LYS  74           HB3      LYS  74  12.299   4.206  -8.558
  613    HG2  LYS  74           HG2      LYS  74  10.606   6.169  -8.220
  614    HG3  LYS  74           HG3      LYS  74  12.065   7.161  -8.204
  615    HD2  LYS  74           HD2      LYS  74  11.050   6.929 -10.459
  616    HD3  LYS  74           HD3      LYS  74  12.714   6.345 -10.368
  617    HE2  LYS  74           HE2      LYS  74  11.759   4.035  -9.991
  618    HE3  LYS  74           HE3      LYS  74  10.183   4.716 -10.402
  619    HZ1  LYS  74           HZ1      LYS  74  10.906   5.223 -12.578
  620    HZ2  LYS  74           HZ2      LYS  74  11.407   3.627 -12.281
  621    HZ3  LYS  74           HZ3      LYS  74  12.531   4.899 -12.207
  622    H    VAL  75           H        VAL  75  12.509   4.448  -4.003
  623    HA   VAL  75           HA       VAL  75  14.585   6.529  -4.091
  624    HB   VAL  75           HB       VAL  75  12.764   6.073  -1.687
  625   HG11  VAL  75          HG11      VAL  75  14.129   7.743  -0.555
  626   HG12  VAL  75          HG12      VAL  75  15.085   6.329  -0.998
  627   HG13  VAL  75          HG13      VAL  75  15.211   7.812  -1.945
  628   HG21  VAL  75          HG21      VAL  75  11.762   7.551  -3.341
  629   HG22  VAL  75          HG22      VAL  75  12.273   8.480  -1.931
  630   HG23  VAL  75          HG23      VAL  75  13.239   8.512  -3.407
  631    HA   PRO  76           HA       PRO  76  17.151   3.060  -3.486
  632    HB2  PRO  76           HB2      PRO  76  18.593   5.231  -1.968
  633    HB3  PRO  76           HB3      PRO  76  19.267   3.976  -3.029
  634    HG2  PRO  76           HG2      PRO  76  18.931   6.302  -4.101
  635    HG3  PRO  76           HG3      PRO  76  18.211   4.895  -4.946
  636    HD2  PRO  76           HD2      PRO  76  16.861   6.900  -3.145
  637    HD3  PRO  76           HD3      PRO  76  16.346   6.308  -4.744
  638    H    TYR  77           H        TYR  77  17.727   1.624  -1.887
  639    HA   TYR  77           HA       TYR  77  16.008   1.753   0.378
  640    HB2  TYR  77           HB2      TYR  77  16.743  -0.433   0.940
  641    HB3  TYR  77           HB3      TYR  77  16.595  -0.361  -0.815
  642    HD1  TYR  77           HD1      TYR  77  18.772   0.048  -2.128
  643    HD2  TYR  77           HD2      TYR  77  18.706  -1.248   1.922
  644    HE1  TYR  77           HE1      TYR  77  21.076  -0.768  -2.361
  645    HE2  TYR  77           HE2      TYR  77  21.012  -2.073   1.699
  646    HH   TYR  77           HH       TYR  77  22.541  -2.820  -0.116
  647    H    SER  78           H        SER  78  19.415   2.302  -0.199
  648    HA   SER  78           HA       SER  78  20.222   2.836   2.417
  649    HB2  SER  78           HB2      SER  78  21.143   4.226  -0.104
  650    HB3  SER  78           HB3      SER  78  22.039   4.076   1.411
  651    HG   SER  78           HG       SER  78  22.041   1.812   1.098
  652    H    GLU  79           H        GLU  79  18.480   4.869   0.076
  653    HA   GLU  79           HA       GLU  79  18.586   7.181   1.820
  654    HB2  GLU  79           HB2      GLU  79  17.270   6.689  -0.855
  655    HB3  GLU  79           HB3      GLU  79  17.141   8.209   0.023
  656    HG2  GLU  79           HG2      GLU  79  19.578   8.458  -0.071
  657    HG3  GLU  79           HG3      GLU  79  19.689   6.950  -0.980
  658    H    LEU  80           H        LEU  80  16.659   4.493   1.244
  659    HA   LEU  80           HA       LEU  80  14.090   5.295   1.960
  660    HB2  LEU  80           HB2      LEU  80  13.999   3.189   1.110
  661    HB3  LEU  80           HB3      LEU  80  15.607   2.796   1.698
  662    HG   LEU  80           HG       LEU  80  13.365   2.876   3.673
  663   HD11  LEU  80          HD11      LEU  80  12.477   1.594   1.792
  664   HD12  LEU  80          HD12      LEU  80  13.923   0.586   1.792
  665   HD13  LEU  80          HD13      LEU  80  12.822   0.553   3.171
  666   HD21  LEU  80          HD21      LEU  80  15.657   2.514   4.452
  667   HD22  LEU  80          HD22      LEU  80  14.669   1.074   4.697
  668   HD23  LEU  80          HD23      LEU  80  15.817   1.139   3.358
  669    H    GLY  81           H        GLY  81  16.883   4.485   3.901
  670    HA2  GLY  81           HA3      GLY  81  15.904   4.278   6.436
  671    HA3  GLY  81           HA2      GLY  81  17.383   5.140   6.031
  672    H    GLY  82           H        GLY  82  16.465   7.368   4.724
  673    HA2  GLY  82           HA3      GLY  82  15.517   8.987   6.846
  674    HA3  GLY  82           HA2      GLY  82  15.668   9.481   5.168
  675    H    LYS  83           H        LYS  83  13.830   7.236   4.343
  676    HA   LYS  83           HA       LYS  83  11.543   8.972   4.389
  677    HB2  LYS  83           HB2      LYS  83  12.348   6.560   2.816
  678    HB3  LYS  83           HB3      LYS  83  10.685   7.128   2.776
  679    HG2  LYS  83           HG2      LYS  83  11.743   8.091   0.912
  680    HG3  LYS  83           HG3      LYS  83  11.595   9.367   2.112
  681    HD2  LYS  83           HD2      LYS  83  14.111   7.850   2.190
  682    HD3  LYS  83           HD3      LYS  83  13.860   8.843   0.754
  683    HE2  LYS  83           HE2      LYS  83  13.402  10.781   2.227
  684    HE3  LYS  83           HE3      LYS  83  13.773   9.774   3.624
  685    HZ1  LYS  83           HZ1      LYS  83  15.636  11.191   2.879
  686    HZ2  LYS  83           HZ2      LYS  83  15.691  10.334   1.420
  687    HZ3  LYS  83           HZ3      LYS  83  16.021   9.542   2.883
  688    H    THR  84           H        THR  84   9.424   8.335   4.847
  689    HA   THR  84           HA       THR  84   9.182   6.115   6.767
  690    HB   THR  84           HB       THR  84   7.378   7.253   7.828
  691    HG1  THR  84           HG1      THR  84   6.579   8.020   5.631
  692   HG21  THR  84          HG21      THR  84   9.423   9.362   7.122
  693   HG22  THR  84          HG22      THR  84   9.540   8.207   8.451
  694   HG23  THR  84          HG23      THR  84   8.286   9.448   8.466
  695    H    LEU  85           H        LEU  85   7.908   4.508   6.099
  696    HA   LEU  85           HA       LEU  85   6.463   4.789   3.634
  697    HB2  LEU  85           HB2      LEU  85   7.702   2.862   3.566
  698    HB3  LEU  85           HB3      LEU  85   7.505   2.548   5.282
  699    HG   LEU  85           HG       LEU  85   4.994   2.301   4.505
  700   HD11  LEU  85          HD11      LEU  85   4.875   1.052   2.405
  701   HD12  LEU  85          HD12      LEU  85   5.472   2.691   2.146
  702   HD13  LEU  85          HD13      LEU  85   6.596   1.333   2.144
  703   HD21  LEU  85          HD21      LEU  85   6.240   0.752   5.837
  704   HD22  LEU  85          HD22      LEU  85   5.398  -0.118   4.553
  705   HD23  LEU  85          HD23      LEU  85   7.130   0.197   4.420
  706    H    VAL  86           H        VAL  86   4.463   5.504   3.821
  707    HA   VAL  86           HA       VAL  86   2.810   4.160   5.819
  708    HB   VAL  86           HB       VAL  86   1.316   6.019   6.028
  709   HG11  VAL  86          HG11      VAL  86   4.183   6.886   6.421
  710   HG12  VAL  86          HG12      VAL  86   2.775   7.619   7.190
  711   HG13  VAL  86          HG13      VAL  86   3.209   5.947   7.551
  712   HG21  VAL  86          HG21      VAL  86   3.146   7.507   4.140
  713   HG22  VAL  86          HG22      VAL  86   1.492   6.992   3.811
  714   HG23  VAL  86          HG23      VAL  86   1.806   8.219   5.039
  715    H    MET  87           H        MET  87   1.078   3.238   5.138
  716    HA   MET  87           HA       MET  87   0.560   3.282   2.243
  717    HB2  MET  87           HB2      MET  87   0.090   0.883   4.026
  718    HB3  MET  87           HB3      MET  87   0.295   0.922   2.280
  719    HG2  MET  87           HG2      MET  87   2.667   1.532   2.615
  720    HG3  MET  87           HG3      MET  87   2.434   1.363   4.353
  721    HE1  MET  87           HE1      MET  87   1.605  -2.439   4.684
  722    HE2  MET  87           HE2      MET  87   1.842  -0.917   5.544
  723    HE3  MET  87           HE3      MET  87   0.457  -1.118   4.474
  724    H    ALA  88           H        ALA  88  -1.658   3.419   1.681
  725    HA   ALA  88           HA       ALA  88  -3.552   3.374   3.911
  726    HB1  ALA  88           HB1      ALA  88  -2.951   5.697   3.813
  727    HB2  ALA  88           HB2      ALA  88  -3.180   5.726   2.065
  728    HB3  ALA  88           HB3      ALA  88  -4.578   5.502   3.129
  729    H    VAL  89           H        VAL  89  -4.740   1.687   3.137
  730    HA   VAL  89           HA       VAL  89  -5.693   1.753   0.425
  731    HB   VAL  89           HB       VAL  89  -7.309   0.273   2.411
  732   HG11  VAL  89          HG11      VAL  89  -6.022  -0.475  -0.214
  733   HG12  VAL  89          HG12      VAL  89  -7.153  -1.478   0.696
  734   HG13  VAL  89          HG13      VAL  89  -7.688   0.060   0.016
  735   HG21  VAL  89          HG21      VAL  89  -5.698  -1.508   2.693
  736   HG22  VAL  89          HG22      VAL  89  -4.500  -0.596   1.773
  737   HG23  VAL  89          HG23      VAL  89  -5.053   0.003   3.335
  738    H    TYR  90           H        TYR  90  -7.103   3.192  -0.237
  739    HA   TYR  90           HA       TYR  90  -8.880   4.430   1.748
  740    HB2  TYR  90           HB2      TYR  90  -7.371   5.526  -0.597
  741    HB3  TYR  90           HB3      TYR  90  -8.849   6.319  -0.067
  742    HD1  TYR  90           HD1      TYR  90  -7.547   4.980   2.817
  743    HD2  TYR  90           HD2      TYR  90  -6.737   8.089   0.031
  744    HE1  TYR  90           HE1      TYR  90  -6.216   6.149   4.517
  745    HE2  TYR  90           HE2      TYR  90  -5.402   9.266   1.725
  746    HH   TYR  90           HH       TYR  90  -5.227   9.356   4.215
  747    H    ASP  91           H        ASP  91 -10.990   4.437   1.388
  748    HA   ASP  91           HA       ASP  91 -11.861   2.771  -0.876
  749    HB2  ASP  91           HB2      ASP  91 -12.162   2.242   1.690
  750    HB3  ASP  91           HB3      ASP  91 -13.628   3.197   1.444
  751    H    PHE  92           H        PHE  92 -13.245   3.534  -2.375
  752    HA   PHE  92           HA       PHE  92 -14.021   6.313  -2.184
  753    HB2  PHE  92           HB2      PHE  92 -14.406   4.242  -4.342
  754    HB3  PHE  92           HB3      PHE  92 -15.009   5.892  -4.474
  755    HD1  PHE  92           HD1      PHE  92 -11.971   3.832  -4.189
  756    HD2  PHE  92           HD2      PHE  92 -13.559   7.693  -5.012
  757    HE1  PHE  92           HE1      PHE  92  -9.778   4.548  -5.044
  758    HE2  PHE  92           HE2      PHE  92 -11.368   8.415  -5.869
  759    HZ   PHE  92           HZ       PHE  92  -9.471   6.886  -5.834
  760    H    ASP  93           H        ASP  93 -15.723   6.918  -1.057
  761    HA   ASP  93           HA       ASP  93 -17.871   5.032  -0.593
  762    HB2  ASP  93           HB2      ASP  93 -18.554   6.547   1.246
  763    HB3  ASP  93           HB3      ASP  93 -16.920   5.914   1.387
  764    H    ARG  94           H        ARG  94 -17.542   6.786  -3.062
  765    HA   ARG  94           HA       ARG  94 -19.018   7.056  -4.745
  766    HB2  ARG  94           HB2      ARG  94 -20.896   5.694  -2.837
  767    HB3  ARG  94           HB3      ARG  94 -21.233   5.985  -4.538
  768    HG2  ARG  94           HG2      ARG  94 -19.123   4.698  -5.043
  769    HG3  ARG  94           HG3      ARG  94 -19.130   4.218  -3.343
  770    HD2  ARG  94           HD2      ARG  94 -20.205   2.511  -4.652
  771    HD3  ARG  94           HD3      ARG  94 -21.408   3.320  -3.648
  772    HE   ARG  94           HE       ARG  94 -21.461   4.650  -6.053
  773   HH11  ARG  94          HH12      ARG  94 -21.949   1.336  -5.005
  774   HH12  ARG  94          HH11      ARG  94 -23.032   0.965  -6.321
  775   HH21  ARG  94          HH22      ARG  94 -22.880   4.151  -7.763
  776   HH22  ARG  94          HH21      ARG  94 -23.564   2.558  -7.877
  777    H    PHE  95           H        PHE  95 -19.326   8.983  -2.145
  778    HA   PHE  95           HA       PHE  95 -21.400  10.553  -3.508
  779    HB2  PHE  95           HB2      PHE  95 -22.479   9.338  -1.617
  780    HB3  PHE  95           HB3      PHE  95 -21.324  10.072  -0.513
  781    HD1  PHE  95           HD1      PHE  95 -24.086  10.829  -2.859
  782    HD2  PHE  95           HD2      PHE  95 -21.697  12.199   0.386
  783    HE1  PHE  95           HE1      PHE  95 -25.593  12.750  -2.562
  784    HE2  PHE  95           HE2      PHE  95 -23.202  14.121   0.689
  785    HZ   PHE  95           HZ       PHE  95 -25.152  14.398  -0.786
  786    H    SER  96           H        SER  96 -19.741  10.989  -0.404
  787    HA   SER  96           HA       SER  96 -18.067  13.025  -1.739
  788    HB2  SER  96           HB2      SER  96 -17.328  13.676   0.511
  789    HB3  SER  96           HB3      SER  96 -19.091  13.689   0.492
  790    HG   SER  96           HG       SER  96 -17.350  11.757   1.608
  791    H    LYS  97           H        LYS  97 -15.645  12.326  -1.678
  792    HA   LYS  97           HA       LYS  97 -15.471   9.665  -0.573
  793    HB2  LYS  97           HB2      LYS  97 -13.112   9.701  -1.180
  794    HB3  LYS  97           HB3      LYS  97 -14.116  10.144  -2.552
  795    HG2  LYS  97           HG2      LYS  97 -13.645  12.566  -1.795
  796    HG3  LYS  97           HG3      LYS  97 -12.303  11.830  -0.902
  797    HD2  LYS  97           HD2      LYS  97 -12.787  11.564  -3.876
  798    HD3  LYS  97           HD3      LYS  97 -11.611  12.643  -3.131
  799    HE2  LYS  97           HE2      LYS  97 -11.607   9.641  -2.845
  800    HE3  LYS  97           HE3      LYS  97 -10.629  10.536  -4.005
  801    HZ1  LYS  97           HZ1      LYS  97  -9.697  11.746  -2.020
  802    HZ2  LYS  97           HZ2      LYS  97  -9.253  10.119  -2.177
  803    HZ3  LYS  97           HZ3      LYS  97 -10.440  10.563  -1.049
  804    H    HIS  98           H        HIS  98 -15.889   9.964   1.822
  805    HA   HIS  98           HA       HIS  98 -13.262  10.868   2.780
  806    HB2  HIS  98           HB2      HIS  98 -13.954  10.479   5.022
  807    HB3  HIS  98           HB3      HIS  98 -15.314  11.279   4.260
  808    HD1  HIS  98           HD1      HIS  98 -17.062   9.124   3.211
  809    HD2  HIS  98           HD2      HIS  98 -14.842   8.622   6.698
  810    HE1  HIS  98           HE1      HIS  98 -18.229   7.321   4.510
  811    HE2  HIS  98           HE2      HIS  98 -16.747   6.883   6.504
  812    H    ASP  99           H        ASP  99 -11.867   9.368   1.785
  813    HA   ASP  99           HA       ASP  99 -12.785   6.618   1.885
  814    HB2  ASP  99           HB2      ASP  99 -10.571   6.375   0.487
  815    HB3  ASP  99           HB3      ASP  99 -12.003   7.086  -0.246
  816    H    ILE 100           H        ILE 100 -12.356   6.727   4.368
  817    HA   ILE 100           HA       ILE 100  -9.771   5.438   4.706
  818    HB   ILE 100           HB       ILE 100 -10.674   4.981   7.052
  819   HG12  ILE 100          HG12      ILE 100 -12.633   7.146   6.267
  820   HG13  ILE 100          HG13      ILE 100 -13.060   5.442   6.383
  821   HG21  ILE 100          HG21      ILE 100  -8.992   6.675   6.551
  822   HG22  ILE 100          HG22      ILE 100 -10.262   7.835   6.163
  823   HG23  ILE 100          HG23      ILE 100 -10.092   7.231   7.813
  824   HD11  ILE 100          HD11      ILE 100 -12.482   5.470   8.759
  825   HD12  ILE 100          HD12      ILE 100 -12.054   7.176   8.633
  826   HD13  ILE 100          HD13      ILE 100 -13.721   6.665   8.377
  827    H    ILE 101           H        ILE 101  -9.873   3.281   3.641
  828    HA   ILE 101           HA       ILE 101 -11.732   1.636   5.174
  829    HB   ILE 101           HB       ILE 101 -10.070  -0.213   4.064
  830   HG12  ILE 101          HG12      ILE 101 -10.434   2.043   2.103
  831   HG13  ILE 101          HG13      ILE 101  -8.911   1.383   2.710
  832   HG21  ILE 101          HG21      ILE 101 -11.939  -0.651   2.551
  833   HG22  ILE 101          HG22      ILE 101 -12.478  -0.313   4.196
  834   HG23  ILE 101          HG23      ILE 101 -12.620   0.927   2.949
  835   HD11  ILE 101          HD11      ILE 101 -10.921  -0.075   0.998
  836   HD12  ILE 101          HD12      ILE 101  -9.392   0.614   0.447
  837   HD13  ILE 101          HD13      ILE 101  -9.394  -0.732   1.589
  838    H    GLY 102           H        GLY 102  -8.273   2.072   4.688
  839    HA2  GLY 102           HA3      GLY 102  -7.604   2.029   7.414
  840    HA3  GLY 102           HA2      GLY 102  -7.380   0.411   6.758
  841    H    GLU 103           H        GLU 103  -5.087   0.982   7.454
  842    HA   GLU 103           HA       GLU 103  -3.407   1.836   5.451
  843    HB2  GLU 103           HB2      GLU 103  -2.858   4.051   5.893
  844    HB3  GLU 103           HB3      GLU 103  -4.604   4.052   6.075
  845    HG2  GLU 103           HG2      GLU 103  -4.392   4.025   8.475
  846    HG3  GLU 103           HG3      GLU 103  -2.636   3.882   8.337
  847    H    PHE 104           H        PHE 104  -1.168   2.071   6.292
  848    HA   PHE 104           HA       PHE 104  -0.755   1.087   9.016
  849    HB2  PHE 104           HB2      PHE 104  -0.888  -0.877   7.354
  850    HB3  PHE 104           HB3      PHE 104   0.694  -0.315   6.811
  851    HD1  PHE 104           HD1      PHE 104  -1.059  -0.877  10.049
  852    HD2  PHE 104           HD2      PHE 104   2.498  -1.375   7.775
  853    HE1  PHE 104           HE1      PHE 104  -0.022  -2.044  11.946
  854    HE2  PHE 104           HE2      PHE 104   3.542  -2.547   9.670
  855    HZ   PHE 104           HZ       PHE 104   2.285  -2.881  11.757
  856    H    LYS 105           H        LYS 105   1.224   1.798   9.868
  857    HA   LYS 105           HA       LYS 105   2.862   3.420   8.031
  858    HB2  LYS 105           HB2      LYS 105   2.102   4.133  10.860
  859    HB3  LYS 105           HB3      LYS 105   3.181   5.056   9.824
  860    HG2  LYS 105           HG2      LYS 105   1.245   5.287   8.224
  861    HG3  LYS 105           HG3      LYS 105   0.227   4.643   9.518
  862    HD2  LYS 105           HD2      LYS 105   1.010   6.440  10.999
  863    HD3  LYS 105           HD3      LYS 105   1.981   7.079   9.667
  864    HE2  LYS 105           HE2      LYS 105  -1.015   6.751   9.589
  865    HE3  LYS 105           HE3      LYS 105  -0.199   8.255  10.017
  866    HZ1  LYS 105           HZ1      LYS 105  -0.817   8.312   7.727
  867    HZ2  LYS 105           HZ2      LYS 105  -0.065   6.832   7.420
  868    HZ3  LYS 105           HZ3      LYS 105   0.873   8.195   7.810
  869    H    VAL 106           H        VAL 106   4.898   2.878   7.985
  870    HA   VAL 106           HA       VAL 106   6.259   1.930  10.355
  871    HB   VAL 106           HB       VAL 106   5.979   0.158   7.911
  872   HG11  VAL 106          HG11      VAL 106   7.698  -1.277   8.881
  873   HG12  VAL 106          HG12      VAL 106   8.349   0.326   8.542
  874   HG13  VAL 106          HG13      VAL 106   7.936  -0.125  10.196
  875   HG21  VAL 106          HG21      VAL 106   5.325  -1.541   9.525
  876   HG22  VAL 106          HG22      VAL 106   5.542  -0.389  10.843
  877   HG23  VAL 106          HG23      VAL 106   4.274  -0.130   9.645
  878    HA   PRO 107           HA       PRO 107   9.007   4.719   8.142
  879    HB2  PRO 107           HB2      PRO 107  11.111   4.247   9.866
  880    HB3  PRO 107           HB3      PRO 107   9.854   5.468  10.118
  881    HG2  PRO 107           HG2      PRO 107  10.003   2.673  11.183
  882    HG3  PRO 107           HG3      PRO 107   9.611   4.172  12.053
  883    HD2  PRO 107           HD2      PRO 107   7.644   2.593  11.301
  884    HD3  PRO 107           HD3      PRO 107   7.520   4.342  11.009
  885    H    MET 108           H        MET 108  10.266   4.225   6.526
  886    HA   MET 108           HA       MET 108  10.595   1.592   5.652
  887    HB2  MET 108           HB2      MET 108  11.997   4.129   4.787
  888    HB3  MET 108           HB3      MET 108  12.022   2.608   3.900
  889    HG2  MET 108           HG2      MET 108   9.354   3.577   4.552
  890    HG3  MET 108           HG3      MET 108  10.283   4.636   3.502
  891    HE1  MET 108           HE1      MET 108   8.827   0.983   3.957
  892    HE2  MET 108           HE2      MET 108   9.434   0.197   2.500
  893    HE3  MET 108           HE3      MET 108  10.560   0.717   3.756
  894    H    ASN 109           H        ASN 109  12.401   3.711   7.552
  895    HA   ASN 109           HA       ASN 109  14.999   2.574   7.216
  896    HB2  ASN 109           HB2      ASN 109  15.394   3.718   9.523
  897    HB3  ASN 109           HB3      ASN 109  15.121   4.702   8.091
  898   HD21  ASN 109          HD21      ASN 109  13.251   5.864   7.876
  899   HD22  ASN 109          HD22      ASN 109  12.151   6.112   9.206
  900    H    THR 110           H        THR 110  12.266   1.539   8.976
  901    HA   THR 110           HA       THR 110  13.812  -0.069  10.831
  902    HB   THR 110           HB       THR 110  10.811  -0.007  10.434
  903    HG1  THR 110           HG1      THR 110  12.529   1.804  11.566
  904   HG21  THR 110          HG21      THR 110  11.632  -1.965  11.662
  905   HG22  THR 110          HG22      THR 110  10.746  -0.875  12.729
  906   HG23  THR 110          HG23      THR 110  12.509  -0.907  12.767
  907    H    VAL 111           H        VAL 111  12.286  -0.271   7.761
  908    HA   VAL 111           HA       VAL 111  12.293  -3.174   7.794
  909    HB   VAL 111           HB       VAL 111  11.613  -1.417   5.444
  910   HG11  VAL 111          HG11      VAL 111  12.040  -3.736   4.902
  911   HG12  VAL 111          HG12      VAL 111  10.900  -4.260   6.142
  912   HG13  VAL 111          HG13      VAL 111  10.322  -3.381   4.727
  913   HG21  VAL 111          HG21      VAL 111  10.180  -0.763   7.298
  914   HG22  VAL 111          HG22      VAL 111   9.256  -1.654   6.089
  915   HG23  VAL 111          HG23      VAL 111   9.751  -2.451   7.581
  916    H    ASP 112           H        ASP 112  14.167  -4.130   7.446
  917    HA   ASP 112           HA       ASP 112  16.285  -2.876   5.942
  918    HB2  ASP 112           HB2      ASP 112  16.040  -5.599   7.229
  919    HB3  ASP 112           HB3      ASP 112  17.473  -5.070   6.358
  920    H    PHE 113           H        PHE 113  16.139  -2.796   3.801
  921    HA   PHE 113           HA       PHE 113  14.882  -4.996   2.360
  922    HB2  PHE 113           HB2      PHE 113  15.394  -2.137   1.728
  923    HB3  PHE 113           HB3      PHE 113  15.333  -3.278   0.387
  924    HD1  PHE 113           HD2      PHE 113  13.271  -4.516  -0.092
  925    HD2  PHE 113           HD1      PHE 113  13.441  -1.566   2.966
  926    HE1  PHE 113           HE2      PHE 113  10.812  -4.427  -0.048
  927    HE2  PHE 113           HE1      PHE 113  10.983  -1.471   3.022
  928    HZ   PHE 113           HZ       PHE 113   9.662  -2.943   1.499
  929    H    GLY 114           H        GLY 114  16.830  -6.212   3.074
  930    HA2  GLY 114           HA3      GLY 114  19.298  -5.767   1.697
  931    HA3  GLY 114           HA2      GLY 114  18.855  -7.205   2.606
  932    H    HIS 115           H        HIS 115  16.778  -8.255   1.386
  933    HA   HIS 115           HA       HIS 115  17.398  -8.361  -1.473
  934    HB2  HIS 115           HB2      HIS 115  18.080 -10.471  -0.279
  935    HB3  HIS 115           HB3      HIS 115  16.386 -10.717   0.137
  936    HD1  HIS 115           HD1      HIS 115  16.629 -12.988  -1.257
  937    HD2  HIS 115           HD2      HIS 115  16.929  -9.471  -3.463
  938    HE1  HIS 115           HE1      HIS 115  16.317 -13.662  -3.657
  939    HE2  HIS 115           HE2      HIS 115  16.391 -11.510  -4.968
  940    H    VAL 116           H        VAL 116  14.820 -10.285  -0.322
  941    HA   VAL 116           HA       VAL 116  12.906  -8.305  -1.353
  942    HB   VAL 116           HB       VAL 116  11.425 -10.199  -1.913
  943   HG11  VAL 116          HG11      VAL 116  12.684 -11.080  -3.814
  944   HG12  VAL 116          HG12      VAL 116  12.921  -9.341  -3.630
  945   HG13  VAL 116          HG13      VAL 116  14.178 -10.461  -3.110
  946   HG21  VAL 116          HG21      VAL 116  13.740 -11.933  -1.054
  947   HG22  VAL 116          HG22      VAL 116  12.171 -11.815  -0.259
  948   HG23  VAL 116          HG23      VAL 116  12.288 -12.501  -1.881
  949    H    THR 117           H        THR 117  11.457  -7.541   0.048
  950    HA   THR 117           HA       THR 117  11.140  -8.872   2.621
  951    HB   THR 117           HB       THR 117  10.085  -6.218   1.619
  952    HG1  THR 117           HG1      THR 117  12.317  -7.107   3.030
  953   HG21  THR 117          HG21      THR 117   8.562  -7.205   3.282
  954   HG22  THR 117          HG22      THR 117   9.413  -5.809   3.943
  955   HG23  THR 117          HG23      THR 117   9.916  -7.443   4.381
  956    H    GLU 118           H        GLU 118   9.881 -10.579   2.427
  957    HA   GLU 118           HA       GLU 118   7.220 -10.167   1.231
  958    HB2  GLU 118           HB2      GLU 118   7.432 -12.885   1.362
  959    HB3  GLU 118           HB3      GLU 118   7.743 -11.921  -0.071
  960    HG2  GLU 118           HG2      GLU 118   9.555 -13.378   0.091
  961    HG3  GLU 118           HG3      GLU 118  10.163 -11.840   0.697
  962    H    GLU 119           H        GLU 119   5.736  -9.862   2.659
  963    HA   GLU 119           HA       GLU 119   5.531 -11.599   4.928
  964    HB2  GLU 119           HB2      GLU 119   5.635  -9.834   6.620
  965    HB3  GLU 119           HB3      GLU 119   7.187 -10.065   5.820
  966    HG2  GLU 119           HG2      GLU 119   6.871  -8.086   4.508
  967    HG3  GLU 119           HG3      GLU 119   5.219  -7.906   5.100
  968    H    TRP 120           H        TRP 120   3.728 -11.076   6.232
  969    HA   TRP 120           HA       TRP 120   1.524 -10.126   4.591
  970    HB2  TRP 120           HB2      TRP 120   1.267 -11.252   7.377
  971    HB3  TRP 120           HB3      TRP 120   0.092 -11.289   6.068
  972    HD1  TRP 120           HD1      TRP 120   1.328 -13.832   7.814
  973    HE1  TRP 120           HE1      TRP 120   2.231 -15.848   6.481
  974    HE3  TRP 120           HE3      TRP 120   2.078 -11.562   3.296
  975    HZ2  TRP 120           HZ2      TRP 120   3.143 -16.389   3.872
  976    HZ3  TRP 120           HZ3      TRP 120   2.956 -12.882   1.434
  977    HH2  TRP 120           HH2      TRP 120   3.486 -15.257   1.716
  978    H    ARG 121           H        ARG 121   1.263  -7.967   4.679
  979    HA   ARG 121           HA       ARG 121   1.858  -6.634   7.244
  980    HB2  ARG 121           HB2      ARG 121   3.314  -6.063   5.325
  981    HB3  ARG 121           HB3      ARG 121   1.900  -5.563   4.411
  982    HG2  ARG 121           HG2      ARG 121   2.995  -3.622   5.226
  983    HG3  ARG 121           HG3      ARG 121   1.488  -3.812   6.123
  984    HD2  ARG 121           HD2      ARG 121   3.258  -3.189   7.634
  985    HD3  ARG 121           HD3      ARG 121   2.750  -4.841   7.969
  986    HE   ARG 121           HE       ARG 121   4.783  -5.632   7.084
  987   HH11  ARG 121          HH12      ARG 121   4.596  -2.135   7.053
  988   HH12  ARG 121          HH11      ARG 121   6.309  -1.912   6.940
  989   HH21  ARG 121          HH22      ARG 121   7.051  -5.353   6.956
  990   HH22  ARG 121          HH21      ARG 121   7.711  -3.746   6.891
  991    H    ASP 122           H        ASP 122   0.242  -5.233   8.117
  992    HA   ASP 122           HA       ASP 122  -2.348  -5.899   6.973
  993    HB2  ASP 122           HB2      ASP 122  -3.311  -5.809   9.138
  994    HB3  ASP 122           HB3      ASP 122  -1.840  -6.753   9.306
  995    H    LEU 123           H        LEU 123  -3.593  -4.283   6.292
  996    HA   LEU 123           HA       LEU 123  -2.771  -1.594   7.042
  997    HB2  LEU 123           HB2      LEU 123  -5.139  -2.339   5.326
  998    HB3  LEU 123           HB3      LEU 123  -4.416  -0.757   5.509
  999    HG   LEU 123           HG       LEU 123  -3.693  -1.395   3.424
 1000   HD11  LEU 123          HD11      LEU 123  -1.793  -0.687   4.691
 1001   HD12  LEU 123          HD12      LEU 123  -1.538  -2.327   5.290
 1002   HD13  LEU 123          HD13      LEU 123  -1.314  -1.971   3.577
 1003   HD21  LEU 123          HD21      LEU 123  -3.183  -4.187   4.435
 1004   HD22  LEU 123          HD22      LEU 123  -4.565  -3.672   3.472
 1005   HD23  LEU 123          HD23      LEU 123  -2.938  -3.626   2.779
 1006    H    GLN 124           H        GLN 124  -3.662  -0.732   8.810
 1007    HA   GLN 124           HA       GLN 124  -5.816  -2.207  10.065
 1008    HB2  GLN 124           HB2      GLN 124  -5.241  -1.148  12.052
 1009    HB3  GLN 124           HB3      GLN 124  -3.676  -1.274  11.251
 1010    HG2  GLN 124           HG2      GLN 124  -4.487   1.108  10.328
 1011    HG3  GLN 124           HG3      GLN 124  -5.310   1.097  11.885
 1012   HE21  GLN 124          HE21      GLN 124  -2.240  -0.449  11.232
 1013   HE22  GLN 124          HE22      GLN 124  -1.293   0.573  12.252
 1014    H    SER 125           H        SER 125  -7.820  -1.396  10.212
 1015    HA   SER 125           HA       SER 125  -8.668   0.660   8.509
 1016    HB2  SER 125           HB2      SER 125 -10.162  -1.177   9.297
 1017    HB3  SER 125           HB3      SER 125 -10.148  -0.460  10.909
 1018    HG   SER 125           HG       SER 125 -11.030   0.864   8.550
 1019    H    ALA 126           H        ALA 126  -8.258   2.754   8.751
 1020    HA   ALA 126           HA       ALA 126  -7.586   3.682  11.443
 1021    HB1  ALA 126           HB1      ALA 126  -7.106   4.997   8.771
 1022    HB2  ALA 126           HB2      ALA 126  -6.525   5.575  10.332
 1023    HB3  ALA 126           HB3      ALA 126  -5.930   4.049   9.679
 1024    H    GLU 127           H        GLU 127  -8.609   5.295  12.431
 1025    HA   GLU 127           HA       GLU 127 -11.133   6.198  11.259
 1026    HB2  GLU 127           HB2      GLU 127 -10.156   6.427  14.114
 1027    HB3  GLU 127           HB3      GLU 127 -11.783   6.764  13.535
 1028    HG2  GLU 127           HG2      GLU 127 -12.107   4.436  12.978
 1029    HG3  GLU 127           HG3      GLU 127 -10.446   4.067  13.438
 1030    H    LYS 128           H        LYS 128 -10.080   7.672   9.853
 1031    HA   LYS 128           HA       LYS 128  -8.741   9.932  11.164
 1032    HB2  LYS 128           HB2      LYS 128  -7.249   8.688   9.695
 1033    HB3  LYS 128           HB3      LYS 128  -8.398   8.822   8.371
 1034    HG2  LYS 128           HG2      LYS 128  -8.069  11.218   8.287
 1035    HG3  LYS 128           HG3      LYS 128  -6.989  11.140   9.680
 1036    HD2  LYS 128           HD2      LYS 128  -6.405   9.544   7.212
 1037    HD3  LYS 128           HD3      LYS 128  -5.981  11.254   7.292
 1038    HE2  LYS 128           HE2      LYS 128  -4.064   9.974   7.939
 1039    HE3  LYS 128           HE3      LYS 128  -4.700  10.783   9.368
 1040    HZ1  LYS 128           HZ1      LYS 128  -4.158   8.592   9.992
 1041    HZ2  LYS 128           HZ2      LYS 128  -4.935   7.910   8.646
 1042    HZ3  LYS 128           HZ3      LYS 128  -5.849   8.631   9.881
  Start of MODEL   18
    1    H1   GLU   1           H1       GLU   1  -7.798  -2.100  15.993
    2    H2   GLU   1           H2       GLU   1  -6.988  -0.618  15.836
    3    H3   GLU   1           H3       GLU   1  -6.143  -2.077  15.626
    4    HA   GLU   1           HA       GLU   1  -8.354  -1.137  13.911
    5    HB2  GLU   1           HB2      GLU   1  -6.361  -1.012  12.233
    6    HB3  GLU   1           HB3      GLU   1  -6.693   0.320  13.321
    7    HG2  GLU   1           HG2      GLU   1  -4.286  -0.359  12.986
    8    HG3  GLU   1           HG3      GLU   1  -4.837  -0.148  14.652
    9    H    LYS   2           H        LYS   2  -8.343  -2.374  11.750
   10    HA   LYS   2           HA       LYS   2  -7.247  -4.861  11.436
   11    HB2  LYS   2           HB2      LYS   2  -9.363  -6.237  12.108
   12    HB3  LYS   2           HB3      LYS   2  -8.140  -5.834  13.299
   13    HG2  LYS   2           HG2      LYS   2 -10.058  -5.382  14.459
   14    HG3  LYS   2           HG3      LYS   2  -9.679  -3.797  13.807
   15    HD2  LYS   2           HD2      LYS   2 -12.059  -4.319  13.603
   16    HD3  LYS   2           HD3      LYS   2 -11.296  -4.123  12.023
   17    HE2  LYS   2           HE2      LYS   2 -12.812  -6.029  12.020
   18    HE3  LYS   2           HE3      LYS   2 -11.146  -6.555  11.795
   19    HZ1  LYS   2           HZ1      LYS   2 -12.343  -7.974  13.340
   20    HZ2  LYS   2           HZ2      LYS   2 -12.650  -6.652  14.356
   21    HZ3  LYS   2           HZ3      LYS   2 -11.058  -7.190  14.121
   22    H    LEU   3           H        LEU   3  -7.339  -4.049   9.374
   23    HA   LEU   3           HA       LEU   3  -9.817  -3.728   8.058
   24    HB2  LEU   3           HB2      LEU   3  -6.964  -3.342   7.404
   25    HB3  LEU   3           HB3      LEU   3  -8.036  -3.727   6.060
   26    HG   LEU   3           HG       LEU   3  -7.538  -1.221   7.157
   27   HD11  LEU   3          HD11      LEU   3  -8.099  -1.719   4.858
   28   HD12  LEU   3          HD12      LEU   3  -9.737  -2.170   5.333
   29   HD13  LEU   3          HD13      LEU   3  -9.198  -0.501   5.507
   30   HD21  LEU   3          HD21      LEU   3  -9.707  -0.455   7.943
   31   HD22  LEU   3          HD22      LEU   3 -10.358  -2.089   7.801
   32   HD23  LEU   3          HD23      LEU   3  -9.099  -1.739   8.986
   33    H    GLY   4           H        GLY   4  -8.078  -6.407   8.973
   34    HA2  GLY   4           HA3      GLY   4  -8.060  -8.585   8.012
   35    HA3  GLY   4           HA2      GLY   4  -8.632  -7.880   6.493
   36    H    LYS   5           H        LYS   5  -6.769  -8.853   5.309
   37    HA   LYS   5           HA       LYS   5  -4.260  -7.493   6.063
   38    HB2  LYS   5           HB2      LYS   5  -4.398 -10.469   5.569
   39    HB3  LYS   5           HB3      LYS   5  -2.963  -9.541   5.963
   40    HG2  LYS   5           HG2      LYS   5  -3.876  -9.050   8.169
   41    HG3  LYS   5           HG3      LYS   5  -5.331  -9.966   7.773
   42    HD2  LYS   5           HD2      LYS   5  -3.846 -11.345   9.088
   43    HD3  LYS   5           HD3      LYS   5  -3.935 -11.976   7.443
   44    HE2  LYS   5           HE2      LYS   5  -1.644 -12.036   8.142
   45    HE3  LYS   5           HE3      LYS   5  -1.819 -10.768   6.929
   46    HZ1  LYS   5           HZ1      LYS   5  -0.455 -10.066   8.818
   47    HZ2  LYS   5           HZ2      LYS   5  -1.764 -10.324   9.867
   48    HZ3  LYS   5           HZ3      LYS   5  -1.855  -9.127   8.679
   49    H    LEU   6           H        LEU   6  -2.604  -7.575   4.515
   50    HA   LEU   6           HA       LEU   6  -3.456  -8.230   1.799
   51    HB2  LEU   6           HB2      LEU   6  -3.193  -6.062   1.211
   52    HB3  LEU   6           HB3      LEU   6  -2.944  -5.712   2.906
   53    HG   LEU   6           HG       LEU   6  -0.543  -6.502   1.383
   54   HD11  LEU   6          HD11      LEU   6  -0.224  -4.428   0.341
   55   HD12  LEU   6          HD12      LEU   6  -1.885  -4.857  -0.059
   56   HD13  LEU   6          HD13      LEU   6  -1.566  -3.664   1.214
   57   HD21  LEU   6          HD21      LEU   6   0.478  -4.879   2.859
   58   HD22  LEU   6          HD22      LEU   6  -1.107  -4.309   3.386
   59   HD23  LEU   6          HD23      LEU   6  -0.565  -5.935   3.815
   60    H    GLN   7           H        GLN   7  -2.296 -10.014   1.392
   61    HA   GLN   7           HA       GLN   7   0.327 -10.218   2.685
   62    HB2  GLN   7           HB2      GLN   7  -1.018 -12.514   1.287
   63    HB3  GLN   7           HB3      GLN   7   0.132 -12.547   2.612
   64    HG2  GLN   7           HG2      GLN   7  -1.722 -13.019   3.798
   65    HG3  GLN   7           HG3      GLN   7  -1.832 -11.261   3.853
   66   HE21  GLN   7          HE21      GLN   7  -2.506 -11.483   0.855
   67   HE22  GLN   7          HE22      GLN   7  -4.195 -11.834   0.861
   68    H    TYR   8           H        TYR   8   1.917  -9.369   1.344
   69    HA   TYR   8           HA       TYR   8   2.576 -11.243  -0.612
   70    HB2  TYR   8           HB2      TYR   8   1.128  -9.514  -1.867
   71    HB3  TYR   8           HB3      TYR   8   2.692  -8.729  -2.065
   72    HD1  TYR   8           HD2      TYR   8   2.605 -12.374  -1.683
   73    HD2  TYR   8           HD1      TYR   8   2.598  -9.180  -4.491
   74    HE1  TYR   8           HE2      TYR   8   3.216 -13.947  -3.471
   75    HE2  TYR   8           HE1      TYR   8   3.207 -10.743  -6.283
   76    HH   TYR   8           HH       TYR   8   2.940 -14.026  -6.045
   77    H    SER   9           H        SER   9   4.356  -9.257  -2.085
   78    HA   SER   9           HA       SER   9   6.604  -9.711  -0.288
   79    HB2  SER   9           HB2      SER   9   7.748 -11.069  -2.012
   80    HB3  SER   9           HB3      SER   9   6.304 -11.861  -1.395
   81    HG   SER   9           HG       SER   9   6.213 -10.263  -3.723
   82    H    LEU  10           H        LEU  10   8.008  -8.251  -0.533
   83    HA   LEU  10           HA       LEU  10   7.658  -6.185  -2.563
   84    HB2  LEU  10           HB2      LEU  10   8.735  -5.657   0.181
   85    HB3  LEU  10           HB3      LEU  10   7.923  -4.560  -0.903
   86    HG   LEU  10           HG       LEU  10   6.590  -4.907   1.066
   87   HD11  LEU  10          HD11      LEU  10   5.359  -6.316  -1.289
   88   HD12  LEU  10          HD12      LEU  10   4.468  -5.809   0.153
   89   HD13  LEU  10          HD13      LEU  10   5.238  -4.602  -0.889
   90   HD21  LEU  10          HD21      LEU  10   6.379  -7.793   0.403
   91   HD22  LEU  10          HD22      LEU  10   7.487  -7.141   1.616
   92   HD23  LEU  10          HD23      LEU  10   5.742  -6.954   1.818
   93    H    ASP  11           H        ASP  11   9.580  -5.549  -3.556
   94    HA   ASP  11           HA       ASP  11  12.056  -6.774  -2.542
   95    HB2  ASP  11           HB2      ASP  11  12.669  -7.420  -4.880
   96    HB3  ASP  11           HB3      ASP  11  11.311  -8.315  -4.213
   97    H    TYR  12           H        TYR  12  13.989  -5.981  -3.972
   98    HA   TYR  12           HA       TYR  12  13.717  -3.055  -4.503
   99    HB2  TYR  12           HB2      TYR  12  14.819  -3.367  -2.404
  100    HB3  TYR  12           HB3      TYR  12  15.847  -4.638  -3.038
  101    HD1  TYR  12           HD2      TYR  12  15.110  -1.173  -4.283
  102    HD2  TYR  12           HD1      TYR  12  18.012  -3.940  -2.864
  103    HE1  TYR  12           HE2      TYR  12  16.881   0.490  -4.671
  104    HE2  TYR  12           HE1      TYR  12  19.787  -2.288  -3.247
  105    HH   TYR  12           HH       TYR  12  20.192  -0.304  -4.606
  106    H    ASP  13           H        ASP  13  13.948  -2.698  -6.478
  107    HA   ASP  13           HA       ASP  13  15.858  -4.206  -8.108
  108    HB2  ASP  13           HB2      ASP  13  13.574  -3.653  -9.042
  109    HB3  ASP  13           HB3      ASP  13  14.010  -1.950  -8.950
  110    H    PHE  14           H        PHE  14  17.906  -3.412  -8.144
  111    HA   PHE  14           HA       PHE  14  18.182  -0.922  -6.686
  112    HB2  PHE  14           HB2      PHE  14  20.591  -1.546  -6.529
  113    HB3  PHE  14           HB3      PHE  14  19.502  -2.740  -5.839
  114    HD1  PHE  14           HD2      PHE  14  21.807  -2.002  -8.583
  115    HD2  PHE  14           HD1      PHE  14  19.286  -4.930  -6.802
  116    HE1  PHE  14           HE2      PHE  14  22.852  -3.741  -9.972
  117    HE2  PHE  14           HE1      PHE  14  20.326  -6.674  -8.192
  118    HZ   PHE  14           HZ       PHE  14  22.135  -6.099  -9.736
  119    H    GLN  15           H        GLN  15  18.593  -2.070  -9.994
  120    HA   GLN  15           HA       GLN  15  20.132   0.329 -10.519
  121    HB2  GLN  15           HB2      GLN  15  20.243  -0.489 -12.820
  122    HB3  GLN  15           HB3      GLN  15  20.812  -1.673 -11.669
  123    HG2  GLN  15           HG2      GLN  15  19.578  -2.896 -13.222
  124    HG3  GLN  15           HG3      GLN  15  18.495  -2.719 -11.845
  125   HE21  GLN  15          HE21      GLN  15  16.612  -1.577 -12.072
  126   HE22  GLN  15          HE22      GLN  15  16.073  -0.906 -13.575
  127    H    ASN  16           H        ASN  16  16.715  -0.088 -10.211
  128    HA   ASN  16           HA       ASN  16  16.763   2.496 -11.541
  129    HB2  ASN  16           HB2      ASN  16  14.328   2.489 -11.154
  130    HB3  ASN  16           HB3      ASN  16  14.863   1.198 -12.197
  131   HD21  ASN  16          HD21      ASN  16  13.045  -0.017 -11.836
  132   HD22  ASN  16          HD22      ASN  16  12.743  -0.808 -10.327
  133    H    ASN  17           H        ASN  17  17.502   1.061  -8.816
  134    HA   ASN  17           HA       ASN  17  17.747   1.451  -6.671
  135    HB2  ASN  17           HB2      ASN  17  18.925   3.536  -7.904
  136    HB3  ASN  17           HB3      ASN  17  17.727   4.386  -6.917
  137   HD21  ASN  17          HD21      ASN  17  17.671   2.359  -4.881
  138   HD22  ASN  17          HD22      ASN  17  19.159   2.471  -3.991
  139    H    GLN  18           H        GLN  18  15.299   0.769  -6.846
  140    HA   GLN  18           HA       GLN  18  13.815   2.704  -5.295
  141    HB2  GLN  18           HB2      GLN  18  12.964   3.426  -7.328
  142    HB3  GLN  18           HB3      GLN  18  13.138   1.860  -8.037
  143    HG2  GLN  18           HG2      GLN  18  11.169   1.898  -5.942
  144    HG3  GLN  18           HG3      GLN  18  10.796   2.988  -7.276
  145   HE21  GLN  18          HE21      GLN  18  11.089  -0.266  -6.247
  146   HE22  GLN  18          HE22      GLN  18  10.484  -1.030  -7.676
  147    H    LEU  19           H        LEU  19  12.392   1.774  -4.030
  148    HA   LEU  19           HA       LEU  19  12.829  -1.060  -3.643
  149    HB2  LEU  19           HB2      LEU  19  11.331   0.948  -1.946
  150    HB3  LEU  19           HB3      LEU  19  11.606  -0.732  -1.518
  151    HG   LEU  19           HG       LEU  19  13.795   1.297  -1.945
  152   HD11  LEU  19          HD11      LEU  19  12.647   0.190   0.614
  153   HD12  LEU  19          HD12      LEU  19  14.039   1.266   0.478
  154   HD13  LEU  19          HD13      LEU  19  12.437   1.837   0.014
  155   HD21  LEU  19          HD21      LEU  19  15.209  -0.415  -0.906
  156   HD22  LEU  19          HD22      LEU  19  13.830  -1.517  -0.857
  157   HD23  LEU  19          HD23      LEU  19  14.483  -0.987  -2.408
  158    H    LEU  20           H        LEU  20  10.979  -2.464  -3.473
  159    HA   LEU  20           HA       LEU  20   8.672  -1.429  -4.967
  160    HB2  LEU  20           HB2      LEU  20  10.552  -2.913  -6.140
  161    HB3  LEU  20           HB3      LEU  20   9.684  -4.213  -5.358
  162    HG   LEU  20           HG       LEU  20   7.979  -2.386  -6.899
  163   HD11  LEU  20          HD11      LEU  20   9.960  -4.179  -8.306
  164   HD12  LEU  20          HD12      LEU  20   8.683  -3.224  -9.060
  165   HD13  LEU  20          HD13      LEU  20  10.041  -2.416  -8.271
  166   HD21  LEU  20          HD21      LEU  20   8.342  -5.383  -6.836
  167   HD22  LEU  20          HD22      LEU  20   7.181  -4.465  -5.877
  168   HD23  LEU  20          HD23      LEU  20   7.029  -4.514  -7.634
  169    H    VAL  21           H        VAL  21   6.759  -1.985  -3.963
  170    HA   VAL  21           HA       VAL  21   7.029  -4.176  -2.018
  171    HB   VAL  21           HB       VAL  21   5.175  -2.818  -0.744
  172   HG11  VAL  21          HG11      VAL  21   8.076  -1.995  -0.687
  173   HG12  VAL  21          HG12      VAL  21   6.902  -1.692   0.593
  174   HG13  VAL  21          HG13      VAL  21   7.364  -3.346   0.194
  175   HG21  VAL  21          HG21      VAL  21   4.907  -1.049  -2.380
  176   HG22  VAL  21          HG22      VAL  21   5.515  -0.400  -0.857
  177   HG23  VAL  21          HG23      VAL  21   6.612  -0.627  -2.219
  178    H    GLY  22           H        GLY  22   6.192  -5.625  -3.531
  179    HA2  GLY  22           HA3      GLY  22   3.872  -4.753  -5.090
  180    HA3  GLY  22           HA2      GLY  22   4.946  -6.120  -5.413
  181    H    ILE  23           H        ILE  23   2.011  -5.136  -3.663
  182    HA   ILE  23           HA       ILE  23   2.253  -7.755  -2.364
  183    HB   ILE  23           HB       ILE  23   0.266  -7.233  -1.111
  184   HG12  ILE  23          HG12      ILE  23  -0.918  -6.051  -3.020
  185   HG13  ILE  23          HG13      ILE  23  -1.087  -5.298  -1.442
  186   HG21  ILE  23          HG21      ILE  23   2.356  -6.342  -0.307
  187   HG22  ILE  23          HG22      ILE  23   2.161  -4.899  -1.300
  188   HG23  ILE  23          HG23      ILE  23   1.052  -5.206   0.038
  189   HD11  ILE  23          HD11      ILE  23   0.591  -3.637  -2.054
  190   HD12  ILE  23          HD12      ILE  23   0.765  -4.397  -3.636
  191   HD13  ILE  23          HD13      ILE  23  -0.764  -3.645  -3.184
  192    H    ILE  24           H        ILE  24  -0.453  -8.572  -2.115
  193    HA   ILE  24           HA       ILE  24  -1.279  -9.032  -4.899
  194    HB   ILE  24           HB       ILE  24  -2.052 -10.773  -2.549
  195   HG12  ILE  24          HG12      ILE  24  -0.060 -11.343  -4.753
  196   HG13  ILE  24          HG13      ILE  24   0.349 -11.023  -3.070
  197   HG21  ILE  24          HG21      ILE  24  -3.693 -10.743  -4.337
  198   HG22  ILE  24          HG22      ILE  24  -2.438 -11.070  -5.532
  199   HG23  ILE  24          HG23      ILE  24  -2.851 -12.294  -4.331
  200   HD11  ILE  24          HD11      ILE  24   0.418 -13.398  -3.562
  201   HD12  ILE  24          HD12      ILE  24  -0.852 -13.033  -2.394
  202   HD13  ILE  24          HD13      ILE  24  -1.268 -13.351  -4.077
  203    H    GLN  25           H        GLN  25  -2.716  -9.218  -1.711
  204    HA   GLN  25           HA       GLN  25  -4.961  -7.650  -2.612
  205    HB2  GLN  25           HB2      GLN  25  -6.425  -9.625  -1.869
  206    HB3  GLN  25           HB3      GLN  25  -5.688  -9.697  -3.456
  207    HG2  GLN  25           HG2      GLN  25  -5.134 -11.765  -2.842
  208    HG3  GLN  25           HG3      GLN  25  -3.815 -10.970  -1.991
  209   HE21  GLN  25          HE21      GLN  25  -5.669  -9.822  -0.041
  210   HE22  GLN  25          HE22      GLN  25  -6.000 -11.114   1.052
  211    H    ALA  26           H        ALA  26  -6.144  -6.941  -1.146
  212    HA   ALA  26           HA       ALA  26  -5.447  -7.406   1.655
  213    HB1  ALA  26           HB1      ALA  26  -6.751  -5.351   2.078
  214    HB2  ALA  26           HB2      ALA  26  -5.422  -5.060   0.957
  215    HB3  ALA  26           HB3      ALA  26  -7.071  -5.211   0.350
  216    H    ALA  27           H        ALA  27  -7.268  -7.800   3.049
  217    HA   ALA  27           HA       ALA  27  -9.446  -9.126   1.626
  218    HB1  ALA  27           HB1      ALA  27  -7.788 -10.756   2.354
  219    HB2  ALA  27           HB2      ALA  27  -7.965 -10.193   4.016
  220    HB3  ALA  27           HB3      ALA  27  -9.321 -10.973   3.201
  221    H    GLU  28           H        GLU  28 -11.413  -8.547   2.266
  222    HA   GLU  28           HA       GLU  28 -13.191  -8.034   3.494
  223    HB2  GLU  28           HB2      GLU  28 -13.329  -8.968   5.753
  224    HB3  GLU  28           HB3      GLU  28 -12.618 -10.104   4.616
  225    HG2  GLU  28           HG2      GLU  28 -10.389  -9.420   5.432
  226    HG3  GLU  28           HG3      GLU  28 -11.195  -8.499   6.707
  227    H    LEU  29           H        LEU  29 -11.663  -5.909   2.962
  228    HA   LEU  29           HA       LEU  29 -11.324  -4.337   5.367
  229    HB2  LEU  29           HB2      LEU  29 -11.540  -3.142   2.630
  230    HB3  LEU  29           HB3      LEU  29 -10.560  -2.632   3.997
  231    HG   LEU  29           HG       LEU  29 -10.007  -5.076   2.300
  232   HD11  LEU  29          HD11      LEU  29  -8.700  -2.367   2.371
  233   HD12  LEU  29          HD12      LEU  29  -8.132  -3.761   1.451
  234   HD13  LEU  29          HD13      LEU  29  -9.684  -3.022   1.059
  235   HD21  LEU  29          HD21      LEU  29  -8.423  -3.751   4.510
  236   HD22  LEU  29          HD22      LEU  29  -9.173  -5.346   4.563
  237   HD23  LEU  29          HD23      LEU  29  -7.827  -5.042   3.463
  238    HA   PRO  30           HA       PRO  30 -15.451  -2.831   5.861
  239    HB2  PRO  30           HB2      PRO  30 -14.407  -0.059   5.987
  240    HB3  PRO  30           HB3      PRO  30 -15.345  -0.966   7.178
  241    HG2  PRO  30           HG2      PRO  30 -12.746  -0.495   7.554
  242    HG3  PRO  30           HG3      PRO  30 -13.475  -2.042   8.027
  243    HD2  PRO  30           HD2      PRO  30 -11.808  -1.386   5.629
  244    HD3  PRO  30           HD3      PRO  30 -11.783  -2.833   6.659
  245    H    ALA  31           H        ALA  31 -17.099  -2.182   4.623
  246    HA   ALA  31           HA       ALA  31 -16.681  -1.312   1.939
  247    HB1  ALA  31           HB1      ALA  31 -19.228  -1.689   3.500
  248    HB2  ALA  31           HB2      ALA  31 -19.087  -1.556   1.747
  249    HB3  ALA  31           HB3      ALA  31 -18.386  -2.940   2.585
  250    H    LEU  32           H        LEU  32 -16.647   0.711   1.162
  251    HA   LEU  32           HA       LEU  32 -17.935   2.858   2.735
  252    HB2  LEU  32           HB2      LEU  32 -15.385   2.748   1.219
  253    HB3  LEU  32           HB3      LEU  32 -16.286   4.255   1.230
  254    HG   LEU  32           HG       LEU  32 -14.449   4.014   2.968
  255   HD11  LEU  32          HD11      LEU  32 -15.836   5.030   4.766
  256   HD12  LEU  32          HD12      LEU  32 -16.085   5.760   3.172
  257   HD13  LEU  32          HD13      LEU  32 -17.272   4.621   3.827
  258   HD21  LEU  32          HD21      LEU  32 -14.768   1.762   3.671
  259   HD22  LEU  32          HD22      LEU  32 -15.156   2.803   5.042
  260   HD23  LEU  32          HD23      LEU  32 -16.454   2.069   4.091
  261    H    ASP  33           H        ASP  33 -19.332   1.342   0.916
  262    HA   ASP  33           HA       ASP  33 -20.110   3.318  -1.057
  263    HB2  ASP  33           HB2      ASP  33 -18.550   1.951  -2.307
  264    HB3  ASP  33           HB3      ASP  33 -19.294   0.473  -1.710
  265    H    MET  34           H        MET  34 -22.238   2.887  -1.897
  266    HA   MET  34           HA       MET  34 -23.935   1.754   0.153
  267    HB2  MET  34           HB2      MET  34 -24.463   3.919  -1.000
  268    HB3  MET  34           HB3      MET  34 -24.796   2.998  -2.463
  269    HG2  MET  34           HG2      MET  34 -26.572   1.789  -1.302
  270    HG3  MET  34           HG3      MET  34 -26.234   2.699   0.168
  271    HE1  MET  34           HE1      MET  34 -27.719   2.748  -3.428
  272    HE2  MET  34           HE2      MET  34 -28.054   4.461  -3.688
  273    HE3  MET  34           HE3      MET  34 -26.389   3.888  -3.613
  274    H    GLY  35           H        GLY  35 -23.002  -0.376  -0.276
  275    HA2  GLY  35           HA3      GLY  35 -24.977  -2.025  -1.439
  276    HA3  GLY  35           HA2      GLY  35 -23.555  -1.982  -2.481
  277    H    GLY  36           H        GLY  36 -23.097  -1.482   0.850
  278    HA2  GLY  36           HA3      GLY  36 -21.753  -2.527   2.365
  279    HA3  GLY  36           HA2      GLY  36 -22.683  -3.967   1.950
  280    H    THR  37           H        THR  37 -20.588  -2.123  -0.124
  281    HA   THR  37           HA       THR  37 -18.411  -4.004   0.188
  282    HB   THR  37           HB       THR  37 -18.016  -4.063  -2.280
  283    HG1  THR  37           HG1      THR  37 -19.650  -2.245  -2.469
  284   HG21  THR  37          HG21      THR  37 -19.030  -5.997  -1.180
  285   HG22  THR  37          HG22      THR  37 -19.680  -5.784  -2.806
  286   HG23  THR  37          HG23      THR  37 -20.630  -5.292  -1.403
  287    H    SER  38           H        SER  38 -16.469  -2.980  -0.997
  288    HA   SER  38           HA       SER  38 -16.734  -0.072  -1.028
  289    HB2  SER  38           HB2      SER  38 -14.627   0.141   0.137
  290    HB3  SER  38           HB3      SER  38 -15.698  -0.882   1.092
  291    HG   SER  38           HG       SER  38 -13.281  -1.422   0.196
  292    H    ASP  39           H        ASP  39 -14.815   0.928  -2.214
  293    HA   ASP  39           HA       ASP  39 -13.865  -0.884  -4.344
  294    HB2  ASP  39           HB2      ASP  39 -14.302   2.107  -4.309
  295    HB3  ASP  39           HB3      ASP  39 -13.268   1.345  -5.506
  296    HA   PRO  40           HA       PRO  40 -10.437  -0.028  -1.240
  297    HB2  PRO  40           HB2      PRO  40  -9.298  -2.529  -1.786
  298    HB3  PRO  40           HB3      PRO  40 -10.319  -2.118  -0.406
  299    HG2  PRO  40           HG2      PRO  40 -11.039  -3.509  -2.937
  300    HG3  PRO  40           HG3      PRO  40 -11.701  -3.695  -1.308
  301    HD2  PRO  40           HD2      PRO  40 -12.995  -2.405  -3.274
  302    HD3  PRO  40           HD3      PRO  40 -13.147  -1.965  -1.561
  303    H    TYR  41           H        TYR  41  -8.369   0.531  -1.580
  304    HA   TYR  41           HA       TYR  41  -6.778  -0.305  -3.730
  305    HB2  TYR  41           HB2      TYR  41  -7.220   1.287  -5.279
  306    HB3  TYR  41           HB3      TYR  41  -8.507   1.866  -4.250
  307    HD1  TYR  41           HD2      TYR  41  -4.825   2.213  -4.613
  308    HD2  TYR  41           HD1      TYR  41  -8.504   4.116  -3.661
  309    HE1  TYR  41           HE2      TYR  41  -3.645   4.350  -4.350
  310    HE2  TYR  41           HE1      TYR  41  -7.333   6.263  -3.402
  311    HH   TYR  41           HH       TYR  41  -4.111   6.732  -4.415
  312    H    VAL  42           H        VAL  42  -4.754  -0.200  -2.845
  313    HA   VAL  42           HA       VAL  42  -4.513   1.422  -0.444
  314    HB   VAL  42           HB       VAL  42  -2.252  -0.211  -1.550
  315   HG11  VAL  42          HG11      VAL  42  -3.182   0.422   1.248
  316   HG12  VAL  42          HG12      VAL  42  -1.757  -0.534   0.838
  317   HG13  VAL  42          HG13      VAL  42  -1.833   1.172   0.396
  318   HG21  VAL  42          HG21      VAL  42  -4.172  -1.708  -1.684
  319   HG22  VAL  42          HG22      VAL  42  -3.078  -2.203  -0.392
  320   HG23  VAL  42          HG23      VAL  42  -4.576  -1.358  -0.002
  321    H    LYS  43           H        LYS  43  -3.506   3.327  -0.461
  322    HA   LYS  43           HA       LYS  43  -2.128   4.188  -2.893
  323    HB2  LYS  43           HB2      LYS  43  -2.185   6.459  -1.688
  324    HB3  LYS  43           HB3      LYS  43  -3.702   5.829  -2.315
  325    HG2  LYS  43           HG2      LYS  43  -4.580   5.489  -0.246
  326    HG3  LYS  43           HG3      LYS  43  -3.005   5.176   0.486
  327    HD2  LYS  43           HD2      LYS  43  -3.938   7.894  -0.423
  328    HD3  LYS  43           HD3      LYS  43  -4.066   7.302   1.234
  329    HE2  LYS  43           HE2      LYS  43  -1.529   7.694  -0.349
  330    HE3  LYS  43           HE3      LYS  43  -2.090   8.686   0.994
  331    HZ1  LYS  43           HZ1      LYS  43  -1.837   6.813   2.477
  332    HZ2  LYS  43           HZ2      LYS  43  -0.382   7.084   1.663
  333    HZ3  LYS  43           HZ3      LYS  43  -1.381   5.805   1.193
  334    H    VAL  44           H        VAL  44   0.050   4.437  -2.930
  335    HA   VAL  44           HA       VAL  44   1.483   3.916  -0.442
  336    HB   VAL  44           HB       VAL  44   2.561   4.401  -3.232
  337   HG11  VAL  44          HG11      VAL  44   4.679   3.551  -2.361
  338   HG12  VAL  44          HG12      VAL  44   4.174   5.003  -1.495
  339   HG13  VAL  44          HG13      VAL  44   3.970   3.416  -0.752
  340   HG21  VAL  44          HG21      VAL  44   2.238   1.849  -1.681
  341   HG22  VAL  44          HG22      VAL  44   1.283   2.348  -3.076
  342   HG23  VAL  44          HG23      VAL  44   3.003   2.013  -3.263
  343    H    PHE  45           H        PHE  45   2.338   5.451   0.786
  344    HA   PHE  45           HA       PHE  45   2.914   8.049  -0.428
  345    HB2  PHE  45           HB2      PHE  45   0.637   7.717   0.943
  346    HB3  PHE  45           HB3      PHE  45   1.717   7.896   2.314
  347    HD1  PHE  45           HD1      PHE  45   2.892  10.008   2.693
  348    HD2  PHE  45           HD2      PHE  45   0.029   9.583  -0.423
  349    HE1  PHE  45           HE1      PHE  45   2.760  12.457   2.487
  350    HE2  PHE  45           HE2      PHE  45  -0.115  12.030  -0.633
  351    HZ   PHE  45           HZ       PHE  45   1.135  13.466   0.862
  352    H    LEU  46           H        LEU  46   4.196   9.271   1.136
  353    HA   LEU  46           HA       LEU  46   6.002   7.629   2.718
  354    HB2  LEU  46           HB2      LEU  46   6.763   9.453   0.476
  355    HB3  LEU  46           HB3      LEU  46   7.812   9.259   1.869
  356    HG   LEU  46           HG       LEU  46   7.487   7.580  -0.432
  357   HD11  LEU  46          HD11      LEU  46   9.412   7.553   1.882
  358   HD12  LEU  46          HD12      LEU  46   9.612   6.681   0.361
  359   HD13  LEU  46          HD13      LEU  46   9.601   8.444   0.373
  360   HD21  LEU  46          HD21      LEU  46   6.035   6.246   1.020
  361   HD22  LEU  46          HD22      LEU  46   7.550   5.419   0.643
  362   HD23  LEU  46          HD23      LEU  46   7.325   6.172   2.224
  363    H    LEU  47           H        LEU  47   7.232   8.892   4.345
  364    HA   LEU  47           HA       LEU  47   5.836  11.280   5.204
  365    HB2  LEU  47           HB2      LEU  47   6.789  10.313   7.073
  366    HB3  LEU  47           HB3      LEU  47   8.160   9.684   6.174
  367    HG   LEU  47           HG       LEU  47   8.397  12.483   6.110
  368   HD11  LEU  47          HD11      LEU  47   6.852  12.628   7.986
  369   HD12  LEU  47          HD12      LEU  47   7.803  11.450   8.892
  370   HD13  LEU  47          HD13      LEU  47   8.485  13.032   8.517
  371   HD21  LEU  47          HD21      LEU  47  10.438  12.063   7.398
  372   HD22  LEU  47          HD22      LEU  47   9.882  10.423   7.738
  373   HD23  LEU  47          HD23      LEU  47  10.238  10.909   6.079
  374    HA   PRO  48           HA       PRO  48   6.661  14.723   3.038
  375    HB2  PRO  48           HB2      PRO  48   9.214  14.980   4.587
  376    HB3  PRO  48           HB3      PRO  48   8.116  16.254   4.026
  377    HG2  PRO  48           HG2      PRO  48   7.935  14.961   6.498
  378    HG3  PRO  48           HG3      PRO  48   6.633  15.876   5.720
  379    HD2  PRO  48           HD2      PRO  48   6.576  13.126   6.280
  380    HD3  PRO  48           HD3      PRO  48   5.512  13.961   5.123
  381    H    ASP  49           H        ASP  49   8.423  12.105   2.317
  382    HA   ASP  49           HA       ASP  49  10.038  13.362   0.269
  383    HB2  ASP  49           HB2      ASP  49  10.975  11.389   1.173
  384    HB3  ASP  49           HB3      ASP  49   9.437  10.537   1.130
  385    H    LYS  50           H        LYS  50   7.703  10.738   0.097
  386    HA   LYS  50           HA       LYS  50   5.947  10.247  -1.145
  387    HB2  LYS  50           HB2      LYS  50   5.452  12.781  -0.329
  388    HB3  LYS  50           HB3      LYS  50   5.439  13.006  -2.077
  389    HG2  LYS  50           HG2      LYS  50   3.669  11.261  -0.398
  390    HG3  LYS  50           HG3      LYS  50   3.217  12.525  -1.554
  391    HD2  LYS  50           HD2      LYS  50   4.017  11.164  -3.391
  392    HD3  LYS  50           HD3      LYS  50   4.593   9.940  -2.235
  393    HE2  LYS  50           HE2      LYS  50   2.429   9.229  -1.754
  394    HE3  LYS  50           HE3      LYS  50   1.701  10.757  -2.241
  395    HZ1  LYS  50           HZ1      LYS  50   2.872   8.753  -4.100
  396    HZ2  LYS  50           HZ2      LYS  50   2.123  10.207  -4.542
  397    HZ3  LYS  50           HZ3      LYS  50   1.217   8.972  -3.812
  398    H    LYS  51           H        LYS  51   8.327   9.859  -2.178
  399    HA   LYS  51           HA       LYS  51   8.179  10.666  -4.999
  400    HB2  LYS  51           HB2      LYS  51  10.100   9.184  -3.271
  401    HB3  LYS  51           HB3      LYS  51  10.173   8.939  -5.019
  402    HG2  LYS  51           HG2      LYS  51  10.513  11.344  -5.330
  403    HG3  LYS  51           HG3      LYS  51  10.420  11.580  -3.584
  404    HD2  LYS  51           HD2      LYS  51  12.360   9.961  -3.400
  405    HD3  LYS  51           HD3      LYS  51  12.526  10.105  -5.150
  406    HE2  LYS  51           HE2      LYS  51  12.611  12.413  -3.214
  407    HE3  LYS  51           HE3      LYS  51  14.031  11.613  -3.886
  408    HZ1  LYS  51           HZ1      LYS  51  13.525  12.376  -6.027
  409    HZ2  LYS  51           HZ2      LYS  51  13.276  13.713  -5.021
  410    HZ3  LYS  51           HZ3      LYS  51  11.949  12.834  -5.602
  411    H    LYS  52           H        LYS  52   5.894   9.574  -4.826
  412    HA   LYS  52           HA       LYS  52   6.225   6.673  -4.810
  413    HB2  LYS  52           HB2      LYS  52   4.347   8.256  -3.098
  414    HB3  LYS  52           HB3      LYS  52   4.186   6.518  -3.356
  415    HG2  LYS  52           HG2      LYS  52   6.514   7.974  -2.128
  416    HG3  LYS  52           HG3      LYS  52   5.414   6.836  -1.341
  417    HD2  LYS  52           HD2      LYS  52   6.348   5.000  -2.385
  418    HD3  LYS  52           HD3      LYS  52   6.950   5.949  -3.744
  419    HE2  LYS  52           HE2      LYS  52   8.048   6.021  -0.940
  420    HE3  LYS  52           HE3      LYS  52   8.748   5.131  -2.278
  421    HZ1  LYS  52           HZ1      LYS  52   8.978   7.298  -3.449
  422    HZ2  LYS  52           HZ2      LYS  52   9.932   7.144  -2.062
  423    HZ3  LYS  52           HZ3      LYS  52   8.523   8.067  -2.009
  424    H    LYS  53           H        LYS  53   5.895   6.373  -6.865
  425    HA   LYS  53           HA       LYS  53   3.466   6.799  -8.200
  426    HB2  LYS  53           HB2      LYS  53   5.723   6.106  -9.192
  427    HB3  LYS  53           HB3      LYS  53   5.327   4.477  -8.647
  428    HG2  LYS  53           HG2      LYS  53   3.393   4.403 -10.012
  429    HG3  LYS  53           HG3      LYS  53   3.547   6.120 -10.383
  430    HD2  LYS  53           HD2      LYS  53   5.529   3.995 -11.186
  431    HD3  LYS  53           HD3      LYS  53   4.309   4.701 -12.250
  432    HE2  LYS  53           HE2      LYS  53   5.315   6.919 -11.890
  433    HE3  LYS  53           HE3      LYS  53   6.559   6.177 -10.886
  434    HZ1  LYS  53           HZ1      LYS  53   7.211   4.842 -12.836
  435    HZ2  LYS  53           HZ2      LYS  53   7.414   6.508 -13.074
  436    HZ3  LYS  53           HZ3      LYS  53   6.096   5.706 -13.780
  437    H    PHE  54           H        PHE  54   1.763   5.274  -8.471
  438    HA   PHE  54           HA       PHE  54   1.085   4.571  -5.751
  439    HB2  PHE  54           HB2      PHE  54  -1.244   4.809  -6.570
  440    HB3  PHE  54           HB3      PHE  54  -0.258   6.251  -6.769
  441    HD1  PHE  54           HD2      PHE  54  -1.943   3.491  -8.498
  442    HD2  PHE  54           HD1      PHE  54   0.320   7.067  -8.961
  443    HE1  PHE  54           HE2      PHE  54  -2.535   3.555 -10.886
  444    HE2  PHE  54           HE1      PHE  54  -0.265   7.132 -11.347
  445    HZ   PHE  54           HZ       PHE  54  -1.719   5.392 -12.307
  446    H    GLU  55           H        GLU  55  -1.177   3.316  -6.202
  447    HA   GLU  55           HA       GLU  55  -0.275   0.618  -6.109
  448    HB2  GLU  55           HB2      GLU  55   0.576   1.633  -4.019
  449    HB3  GLU  55           HB3      GLU  55  -1.034   2.233  -3.655
  450    HG2  GLU  55           HG2      GLU  55  -1.859   0.075  -3.237
  451    HG3  GLU  55           HG3      GLU  55  -0.456  -0.699  -3.975
  452    H    THR  56           H        THR  56  -2.703  -0.290  -4.806
  453    HA   THR  56           HA       THR  56  -3.114  -1.152  -7.347
  454    HB   THR  56           HB       THR  56  -5.331  -1.987  -6.088
  455    HG1  THR  56           HG1      THR  56  -4.499  -0.250  -4.435
  456   HG21  THR  56          HG21      THR  56  -4.021  -3.747  -4.992
  457   HG22  THR  56          HG22      THR  56  -2.549  -2.800  -5.207
  458   HG23  THR  56          HG23      THR  56  -3.400  -3.439  -6.614
  459    H    LYS  57           H        LYS  57  -4.632  -0.948  -8.845
  460    HA   LYS  57           HA       LYS  57  -6.294   1.296  -9.072
  461    HB2  LYS  57           HB2      LYS  57  -6.483  -1.424 -10.386
  462    HB3  LYS  57           HB3      LYS  57  -7.446  -0.030 -10.860
  463    HG2  LYS  57           HG2      LYS  57  -4.438  -0.201 -10.945
  464    HG3  LYS  57           HG3      LYS  57  -5.525  -0.330 -12.331
  465    HD2  LYS  57           HD2      LYS  57  -6.247   1.932 -12.069
  466    HD3  LYS  57           HD3      LYS  57  -5.421   2.073 -10.517
  467    HE2  LYS  57           HE2      LYS  57  -4.155   3.210 -12.231
  468    HE3  LYS  57           HE3      LYS  57  -3.265   1.801 -11.660
  469    HZ1  LYS  57           HZ1      LYS  57  -4.913   1.835 -14.129
  470    HZ2  LYS  57           HZ2      LYS  57  -3.870   0.601 -13.613
  471    HZ3  LYS  57           HZ3      LYS  57  -3.237   2.096 -14.095
  472    H    VAL  58           H        VAL  58  -8.615   1.368  -9.002
  473    HA   VAL  58           HA       VAL  58  -9.376   0.493  -6.400
  474    HB   VAL  58           HB       VAL  58 -11.527   1.736  -6.905
  475   HG11  VAL  58          HG11      VAL  58  -9.670   2.755  -5.703
  476   HG12  VAL  58          HG12      VAL  58  -8.906   3.196  -7.232
  477   HG13  VAL  58          HG13      VAL  58 -10.439   3.934  -6.768
  478   HG21  VAL  58          HG21      VAL  58 -11.512   3.222  -8.854
  479   HG22  VAL  58          HG22      VAL  58 -10.005   2.486  -9.401
  480   HG23  VAL  58          HG23      VAL  58 -11.484   1.526  -9.339
  481    H    HIS  59           H        HIS  59 -10.696  -1.015  -5.783
  482    HA   HIS  59           HA       HIS  59 -11.377  -3.020  -7.801
  483    HB2  HIS  59           HB2      HIS  59 -11.171  -3.281  -4.796
  484    HB3  HIS  59           HB3      HIS  59 -11.326  -4.605  -5.954
  485    HD1  HIS  59           HD1      HIS  59  -8.858  -2.752  -4.112
  486    HD2  HIS  59           HD2      HIS  59  -8.961  -4.659  -7.794
  487    HE1  HIS  59           HE1      HIS  59  -6.456  -3.126  -4.737
  488    HE2  HIS  59           HE2      HIS  59  -6.561  -3.997  -7.094
  489    H    ARG  60           H        ARG  60 -13.388  -2.620  -8.499
  490    HA   ARG  60           HA       ARG  60 -15.255  -1.154  -6.971
  491    HB2  ARG  60           HB2      ARG  60 -15.035  -2.265  -9.665
  492    HB3  ARG  60           HB3      ARG  60 -16.675  -2.320  -9.039
  493    HG2  ARG  60           HG2      ARG  60 -15.133   0.211  -8.824
  494    HG3  ARG  60           HG3      ARG  60 -15.824  -0.259 -10.381
  495    HD2  ARG  60           HD2      ARG  60 -18.025  -0.332  -9.463
  496    HD3  ARG  60           HD3      ARG  60 -17.408  -0.142  -7.820
  497    HE   ARG  60           HE       ARG  60 -16.723   2.123  -8.483
  498   HH11  ARG  60          HH12      ARG  60 -19.175   0.506 -10.407
  499   HH12  ARG  60          HH11      ARG  60 -19.873   1.994 -10.982
  500   HH21  ARG  60          HH22      ARG  60 -17.646   4.061  -9.254
  501   HH22  ARG  60          HH21      ARG  60 -19.025   4.005 -10.301
  502    H    LYS  61           H        LYS  61 -16.402  -1.890  -5.379
  503    HA   LYS  61           HA       LYS  61 -18.009  -3.009  -4.260
  504    HB2  LYS  61           HB2      LYS  61 -18.508  -4.475  -6.849
  505    HB3  LYS  61           HB3      LYS  61 -19.637  -4.268  -5.513
  506    HG2  LYS  61           HG2      LYS  61 -18.517  -2.020  -7.178
  507    HG3  LYS  61           HG3      LYS  61 -20.093  -2.778  -7.428
  508    HD2  LYS  61           HD2      LYS  61 -20.960  -1.916  -5.455
  509    HD3  LYS  61           HD3      LYS  61 -19.362  -1.649  -4.753
  510    HE2  LYS  61           HE2      LYS  61 -20.035  -0.175  -7.232
  511    HE3  LYS  61           HE3      LYS  61 -20.847   0.324  -5.750
  512    HZ1  LYS  61           HZ1      LYS  61 -18.669   1.460  -6.320
  513    HZ2  LYS  61           HZ2      LYS  61 -17.897   0.024  -5.863
  514    HZ3  LYS  61           HZ3      LYS  61 -18.839   0.879  -4.746
  515    H    THR  62           H        THR  62 -15.649  -3.959  -3.519
  516    HA   THR  62           HA       THR  62 -16.254  -6.690  -2.944
  517    HB   THR  62           HB       THR  62 -14.984  -7.671  -4.534
  518    HG1  THR  62           HG1      THR  62 -12.662  -6.318  -3.740
  519   HG21  THR  62          HG21      THR  62 -15.149  -5.699  -5.975
  520   HG22  THR  62          HG22      THR  62 -13.572  -6.474  -6.131
  521   HG23  THR  62          HG23      THR  62 -13.740  -4.998  -5.180
  522    H    LEU  63           H        LEU  63 -15.802  -6.790  -0.843
  523    HA   LEU  63           HA       LEU  63 -13.934  -4.933   0.333
  524    HB2  LEU  63           HB2      LEU  63 -15.417  -7.244   1.539
  525    HB3  LEU  63           HB3      LEU  63 -14.325  -6.212   2.406
  526    HG   LEU  63           HG       LEU  63 -16.390  -5.338   2.956
  527   HD11  LEU  63          HD11      LEU  63 -16.690  -3.253   1.707
  528   HD12  LEU  63          HD12      LEU  63 -15.002  -3.557   2.125
  529   HD13  LEU  63          HD13      LEU  63 -15.570  -3.846   0.482
  530   HD21  LEU  63          HD21      LEU  63 -18.263  -5.131   1.428
  531   HD22  LEU  63          HD22      LEU  63 -17.271  -5.749   0.108
  532   HD23  LEU  63          HD23      LEU  63 -17.671  -6.792   1.471
  533    H    ASN  64           H        ASN  64 -13.602  -7.937  -1.117
  534    HA   ASN  64           HA       ASN  64 -11.016  -8.328   0.195
  535    HB2  ASN  64           HB2      ASN  64 -12.987  -9.951   0.841
  536    HB3  ASN  64           HB3      ASN  64 -12.611 -10.693  -0.710
  537   HD21  ASN  64          HD21      ASN  64  -9.815 -10.333  -0.705
  538   HD22  ASN  64          HD22      ASN  64  -9.158 -11.344   0.533
  539    HA   PRO  65           HA       PRO  65 -10.593  -8.153  -4.360
  540    HB2  PRO  65           HB2      PRO  65  -9.114  -5.962  -4.491
  541    HB3  PRO  65           HB3      PRO  65 -10.836  -5.838  -4.105
  542    HG2  PRO  65           HG2      PRO  65  -8.474  -5.688  -2.258
  543    HG3  PRO  65           HG3      PRO  65  -9.948  -4.733  -2.266
  544    HD2  PRO  65           HD2      PRO  65  -9.459  -6.931  -0.665
  545    HD3  PRO  65           HD3      PRO  65 -11.054  -6.233  -1.004
  546    H    VAL  66           H        VAL  66  -8.886  -8.956  -5.583
  547    HA   VAL  66           HA       VAL  66  -6.224  -8.731  -4.398
  548    HB   VAL  66           HB       VAL  66  -5.763 -10.883  -4.313
  549   HG11  VAL  66          HG11      VAL  66  -8.007 -11.099  -3.472
  550   HG12  VAL  66          HG12      VAL  66  -8.650 -11.303  -5.101
  551   HG13  VAL  66          HG13      VAL  66  -7.599 -12.537  -4.407
  552   HG21  VAL  66          HG21      VAL  66  -5.230 -10.959  -6.683
  553   HG22  VAL  66          HG22      VAL  66  -5.978 -12.471  -6.171
  554   HG23  VAL  66          HG23      VAL  66  -6.917 -11.287  -7.081
  555    H    PHE  67           H        PHE  67  -5.327  -7.275  -5.570
  556    HA   PHE  67           HA       PHE  67  -5.551  -7.495  -8.466
  557    HB2  PHE  67           HB2      PHE  67  -5.612  -5.242  -7.011
  558    HB3  PHE  67           HB3      PHE  67  -3.901  -5.292  -7.448
  559    HD1  PHE  67           HD1      PHE  67  -3.584  -6.126 -10.028
  560    HD2  PHE  67           HD2      PHE  67  -6.934  -4.028  -8.456
  561    HE1  PHE  67           HE1      PHE  67  -4.136  -5.322 -12.285
  562    HE2  PHE  67           HE2      PHE  67  -7.490  -3.219 -10.708
  563    HZ   PHE  67           HZ       PHE  67  -6.093  -3.868 -12.628
  564    H    ASN  68           H        ASN  68  -3.205  -7.836  -5.949
  565    HA   ASN  68           HA       ASN  68  -1.027  -7.997  -5.794
  566    HB2  ASN  68           HB2      ASN  68   0.159  -9.667  -7.093
  567    HB3  ASN  68           HB3      ASN  68  -1.399 -10.263  -6.566
  568   HD21  ASN  68          HD21      ASN  68  -2.906 -10.841  -8.075
  569   HD22  ASN  68          HD22      ASN  68  -2.551 -10.972  -9.760
  570    H    GLU  69           H        GLU  69  -0.916  -5.770  -6.111
  571    HA   GLU  69           HA       GLU  69   1.215  -5.166  -7.916
  572    HB2  GLU  69           HB2      GLU  69   0.179  -3.358  -9.171
  573    HB3  GLU  69           HB3      GLU  69  -0.712  -4.843  -9.459
  574    HG2  GLU  69           HG2      GLU  69  -2.480  -4.105  -7.955
  575    HG3  GLU  69           HG3      GLU  69  -1.547  -2.669  -7.517
  576    H    GLN  70           H        GLN  70   2.066  -4.503  -5.441
  577    HA   GLN  70           HA       GLN  70   1.925  -1.724  -6.298
  578    HB2  GLN  70           HB2      GLN  70   1.613  -2.364  -3.770
  579    HB3  GLN  70           HB3      GLN  70   3.359  -2.260  -3.792
  580    HG2  GLN  70           HG2      GLN  70   1.566  -0.094  -4.839
  581    HG3  GLN  70           HG3      GLN  70   2.188  -0.138  -3.192
  582   HE21  GLN  70          HE21      GLN  70   4.740  -1.174  -3.851
  583   HE22  GLN  70          HE22      GLN  70   5.623   0.116  -4.585
  584    H    PHE  71           H        PHE  71   3.362  -1.758  -7.881
  585    HA   PHE  71           HA       PHE  71   6.077  -2.244  -6.934
  586    HB2  PHE  71           HB2      PHE  71   6.631  -2.210  -9.484
  587    HB3  PHE  71           HB3      PHE  71   5.924  -3.650  -8.765
  588    HD1  PHE  71           HD2      PHE  71   3.609  -4.261  -9.222
  589    HD2  PHE  71           HD1      PHE  71   5.402  -0.872 -11.069
  590    HE1  PHE  71           HE2      PHE  71   1.786  -4.199 -10.870
  591    HE2  PHE  71           HE1      PHE  71   3.582  -0.809 -12.722
  592    HZ   PHE  71           HZ       PHE  71   1.770  -2.472 -12.623
  593    H    THR  72           H        THR  72   6.099  -0.136  -5.918
  594    HA   THR  72           HA       THR  72   8.050   1.348  -7.183
  595    HB   THR  72           HB       THR  72   6.436   3.484  -7.055
  596    HG1  THR  72           HG1      THR  72   4.672   1.766  -6.958
  597   HG21  THR  72          HG21      THR  72   8.040   3.089  -8.827
  598   HG22  THR  72          HG22      THR  72   6.480   3.523  -9.526
  599   HG23  THR  72          HG23      THR  72   7.001   1.839  -9.512
  600    H    PHE  73           H        PHE  73   9.064   1.500  -5.320
  601    HA   PHE  73           HA       PHE  73   8.083   3.671  -3.625
  602    HB2  PHE  73           HB2      PHE  73   8.350   1.598  -2.284
  603    HB3  PHE  73           HB3      PHE  73   9.993   1.419  -2.881
  604    HD1  PHE  73           HD1      PHE  73  11.701   3.149  -2.233
  605    HD2  PHE  73           HD2      PHE  73   7.880   2.881  -0.392
  606    HE1  PHE  73           HE1      PHE  73  12.522   4.458  -0.322
  607    HE2  PHE  73           HE2      PHE  73   8.701   4.180   1.519
  608    HZ   PHE  73           HZ       PHE  73  11.046   4.948   1.563
  609    H    LYS  74           H        LYS  74   8.931   5.145  -5.152
  610    HA   LYS  74           HA       LYS  74  11.490   4.717  -6.319
  611    HB2  LYS  74           HB2      LYS  74   9.711   7.153  -6.454
  612    HB3  LYS  74           HB3      LYS  74  11.102   6.841  -7.480
  613    HG2  LYS  74           HG2      LYS  74   9.394   4.597  -7.670
  614    HG3  LYS  74           HG3      LYS  74   8.400   6.048  -7.839
  615    HD2  LYS  74           HD2      LYS  74   9.255   5.255 -10.009
  616    HD3  LYS  74           HD3      LYS  74   9.857   6.864  -9.610
  617    HE2  LYS  74           HE2      LYS  74  11.972   5.909  -8.877
  618    HE3  LYS  74           HE3      LYS  74  11.371   4.285  -9.211
  619    HZ1  LYS  74           HZ1      LYS  74  12.816   5.215 -10.972
  620    HZ2  LYS  74           HZ2      LYS  74  11.651   6.410 -11.265
  621    HZ3  LYS  74           HZ3      LYS  74  11.274   4.778 -11.527
  622    H    VAL  75           H        VAL  75  12.361   4.604  -4.076
  623    HA   VAL  75           HA       VAL  75  13.865   7.062  -3.677
  624    HB   VAL  75           HB       VAL  75  12.528   5.581  -1.391
  625   HG11  VAL  75          HG11      VAL  75  14.854   6.021  -0.830
  626   HG12  VAL  75          HG12      VAL  75  14.656   7.713  -1.282
  627   HG13  VAL  75          HG13      VAL  75  13.777   7.062   0.102
  628   HG21  VAL  75          HG21      VAL  75  12.427   8.465  -2.255
  629   HG22  VAL  75          HG22      VAL  75  11.129   7.281  -2.405
  630   HG23  VAL  75          HG23      VAL  75  11.665   7.801  -0.808
  631    HA   PRO  76           HA       PRO  76  16.957   3.754  -3.974
  632    HB2  PRO  76           HB2      PRO  76  18.426   6.172  -2.925
  633    HB3  PRO  76           HB3      PRO  76  18.978   4.947  -4.087
  634    HG2  PRO  76           HG2      PRO  76  18.115   7.142  -5.123
  635    HG3  PRO  76           HG3      PRO  76  17.354   5.620  -5.705
  636    HD2  PRO  76           HD2      PRO  76  16.325   7.546  -3.602
  637    HD3  PRO  76           HD3      PRO  76  15.478   6.921  -5.041
  638    H    TYR  77           H        TYR  77  18.107   2.540  -2.464
  639    HA   TYR  77           HA       TYR  77  16.690   2.449   0.001
  640    HB2  TYR  77           HB2      TYR  77  17.490   0.344   0.240
  641    HB3  TYR  77           HB3      TYR  77  17.857   0.536  -1.468
  642    HD1  TYR  77           HD1      TYR  77  20.232   1.012  -2.154
  643    HD2  TYR  77           HD2      TYR  77  19.181   0.092   1.864
  644    HE1  TYR  77           HE1      TYR  77  22.589   0.511  -1.653
  645    HE2  TYR  77           HE2      TYR  77  21.531  -0.407   2.374
  646    HH   TYR  77           HH       TYR  77  24.060   0.523   0.458
  647    H    SER  78           H        SER  78  19.908   3.496  -0.950
  648    HA   SER  78           HA       SER  78  20.924   4.068   1.603
  649    HB2  SER  78           HB2      SER  78  22.122   4.155  -0.668
  650    HB3  SER  78           HB3      SER  78  21.431   5.765  -0.842
  651    HG   SER  78           HG       SER  78  23.648   5.393   0.190
  652    H    GLU  79           H        GLU  79  18.581   5.696  -0.400
  653    HA   GLU  79           HA       GLU  79  18.560   8.103   1.210
  654    HB2  GLU  79           HB2      GLU  79  18.344   8.129  -1.295
  655    HB3  GLU  79           HB3      GLU  79  16.776   7.353  -1.117
  656    HG2  GLU  79           HG2      GLU  79  15.945   9.266   0.117
  657    HG3  GLU  79           HG3      GLU  79  17.531  10.028   0.044
  658    H    LEU  80           H        LEU  80  17.059   5.076   1.052
  659    HA   LEU  80           HA       LEU  80  14.482   5.561   2.012
  660    HB2  LEU  80           HB2      LEU  80  14.440   3.368   1.544
  661    HB3  LEU  80           HB3      LEU  80  16.187   3.293   1.544
  662    HG   LEU  80           HG       LEU  80  14.600   3.049   4.131
  663   HD11  LEU  80          HD11      LEU  80  13.833   1.335   2.562
  664   HD12  LEU  80          HD12      LEU  80  15.503   0.849   2.268
  665   HD13  LEU  80          HD13      LEU  80  14.791   0.635   3.868
  666   HD21  LEU  80          HD21      LEU  80  16.994   3.487   4.385
  667   HD22  LEU  80          HD22      LEU  80  16.600   1.841   4.879
  668   HD23  LEU  80          HD23      LEU  80  17.370   2.133   3.318
  669    H    GLY  81           H        GLY  81  17.561   5.329   3.599
  670    HA2  GLY  81           HA3      GLY  81  16.992   4.981   6.230
  671    HA3  GLY  81           HA2      GLY  81  18.216   6.100   5.649
  672    H    GLY  82           H        GLY  82  16.770   8.098   4.526
  673    HA2  GLY  82           HA3      GLY  82  15.723   9.522   6.752
  674    HA3  GLY  82           HA2      GLY  82  15.730  10.060   5.085
  675    H    LYS  83           H        LYS  83  14.101   7.802   4.083
  676    HA   LYS  83           HA       LYS  83  11.708   9.398   4.517
  677    HB2  LYS  83           HB2      LYS  83  12.260   7.284   2.439
  678    HB3  LYS  83           HB3      LYS  83  10.872   8.358   2.476
  679    HG2  LYS  83           HG2      LYS  83  13.699   8.931   1.743
  680    HG3  LYS  83           HG3      LYS  83  12.199   9.388   0.933
  681    HD2  LYS  83           HD2      LYS  83  11.749  10.924   2.883
  682    HD3  LYS  83           HD3      LYS  83  13.400  10.602   3.414
  683    HE2  LYS  83           HE2      LYS  83  12.533  11.865   0.817
  684    HE3  LYS  83           HE3      LYS  83  13.354  12.656   2.160
  685    HZ1  LYS  83           HZ1      LYS  83  14.489  10.525   0.430
  686    HZ2  LYS  83           HZ2      LYS  83  15.283  11.237   1.749
  687    HZ3  LYS  83           HZ3      LYS  83  14.888  12.170   0.388
  688    H    THR  84           H        THR  84   9.595   8.479   4.880
  689    HA   THR  84           HA       THR  84   9.802   5.753   6.066
  690    HB   THR  84           HB       THR  84   8.239   6.244   7.706
  691    HG1  THR  84           HG1      THR  84   6.877   7.365   5.935
  692   HG21  THR  84          HG21      THR  84   8.850   8.371   8.761
  693   HG22  THR  84          HG22      THR  84   9.618   8.893   7.262
  694   HG23  THR  84          HG23      THR  84  10.270   7.519   8.154
  695    H    LEU  85           H        LEU  85   8.431   4.146   5.127
  696    HA   LEU  85           HA       LEU  85   6.562   5.286   3.213
  697    HB2  LEU  85           HB2      LEU  85   6.778   3.443   1.961
  698    HB3  LEU  85           HB3      LEU  85   8.263   3.230   2.854
  699    HG   LEU  85           HG       LEU  85   5.688   1.929   3.668
  700   HD11  LEU  85          HD11      LEU  85   6.205   1.256   1.400
  701   HD12  LEU  85          HD12      LEU  85   7.870   0.897   1.861
  702   HD13  LEU  85          HD13      LEU  85   6.548  -0.072   2.509
  703   HD21  LEU  85          HD21      LEU  85   7.422   2.028   5.392
  704   HD22  LEU  85          HD22      LEU  85   7.164   0.374   4.837
  705   HD23  LEU  85          HD23      LEU  85   8.570   1.282   4.280
  706    H    VAL  86           H        VAL  86   4.594   5.589   3.960
  707    HA   VAL  86           HA       VAL  86   3.408   3.395   5.407
  708    HB   VAL  86           HB       VAL  86   1.718   4.858   6.348
  709   HG11  VAL  86          HG11      VAL  86   4.542   5.599   7.101
  710   HG12  VAL  86          HG12      VAL  86   3.119   5.917   8.092
  711   HG13  VAL  86          HG13      VAL  86   3.593   4.256   7.738
  712   HG21  VAL  86          HG21      VAL  86   1.799   6.706   4.765
  713   HG22  VAL  86          HG22      VAL  86   2.047   7.303   6.408
  714   HG23  VAL  86          HG23      VAL  86   3.421   7.131   5.316
  715    H    MET  87           H        MET  87   1.671   2.583   4.493
  716    HA   MET  87           HA       MET  87   0.787   3.871   2.009
  717    HB2  MET  87           HB2      MET  87   1.306   0.907   2.499
  718    HB3  MET  87           HB3      MET  87   0.586   1.570   1.034
  719    HG2  MET  87           HG2      MET  87   2.544   2.509   0.320
  720    HG3  MET  87           HG3      MET  87   3.194   2.661   1.948
  721    HE1  MET  87           HE1      MET  87   2.763   0.483  -1.193
  722    HE2  MET  87           HE2      MET  87   3.252  -1.126  -0.663
  723    HE3  MET  87           HE3      MET  87   1.736  -0.431  -0.088
  724    H    ALA  88           H        ALA  88  -1.534   3.171   1.474
  725    HA   ALA  88           HA       ALA  88  -3.047   2.898   3.964
  726    HB1  ALA  88           HB1      ALA  88  -2.985   5.430   2.342
  727    HB2  ALA  88           HB2      ALA  88  -4.328   5.028   3.427
  728    HB3  ALA  88           HB3      ALA  88  -2.689   5.231   4.069
  729    H    VAL  89           H        VAL  89  -4.691   1.521   3.464
  730    HA   VAL  89           HA       VAL  89  -5.621   1.376   0.752
  731    HB   VAL  89           HB       VAL  89  -7.169   0.299   3.092
  732   HG11  VAL  89          HG11      VAL  89  -8.203   0.210   0.895
  733   HG12  VAL  89          HG12      VAL  89  -6.786  -0.613   0.243
  734   HG13  VAL  89          HG13      VAL  89  -7.793  -1.412   1.449
  735   HG21  VAL  89          HG21      VAL  89  -4.848  -0.395   3.427
  736   HG22  VAL  89          HG22      VAL  89  -5.861  -1.762   2.959
  737   HG23  VAL  89          HG23      VAL  89  -4.791  -1.012   1.775
  738    H    TYR  90           H        TYR  90  -6.858   2.767  -0.117
  739    HA   TYR  90           HA       TYR  90  -8.543   4.550   1.494
  740    HB2  TYR  90           HB2      TYR  90  -6.510   5.608   0.492
  741    HB3  TYR  90           HB3      TYR  90  -7.046   5.089  -1.095
  742    HD1  TYR  90           HD1      TYR  90  -7.664   7.423   1.678
  743    HD2  TYR  90           HD2      TYR  90  -8.749   6.297  -2.276
  744    HE1  TYR  90           HE1      TYR  90  -8.931   9.515   1.436
  745    HE2  TYR  90           HE2      TYR  90 -10.013   8.387  -2.532
  746    HH   TYR  90           HH       TYR  90 -11.130  10.046  -1.085
  747    H    ASP  91           H        ASP  91 -10.643   4.697   0.796
  748    HA   ASP  91           HA       ASP  91 -11.345   2.682  -1.187
  749    HB2  ASP  91           HB2      ASP  91 -12.256   2.956   1.290
  750    HB3  ASP  91           HB3      ASP  91 -13.440   3.964   0.442
  751    H    PHE  92           H        PHE  92 -12.214   3.234  -3.111
  752    HA   PHE  92           HA       PHE  92 -12.717   6.042  -3.600
  753    HB2  PHE  92           HB2      PHE  92 -12.039   3.899  -5.245
  754    HB3  PHE  92           HB3      PHE  92 -13.720   4.234  -5.655
  755    HD1  PHE  92           HD2      PHE  92 -10.316   5.621  -5.564
  756    HD2  PHE  92           HD1      PHE  92 -14.347   6.247  -6.766
  757    HE1  PHE  92           HE2      PHE  92  -9.604   7.517  -6.963
  758    HE2  PHE  92           HE1      PHE  92 -13.643   8.135  -8.170
  759    HZ   PHE  92           HZ       PHE  92 -11.234   8.793  -8.228
  760    H    ASP  93           H        ASP  93 -14.443   6.799  -2.559
  761    HA   ASP  93           HA       ASP  93 -16.610   5.007  -1.884
  762    HB2  ASP  93           HB2      ASP  93 -15.796   7.794  -1.101
  763    HB3  ASP  93           HB3      ASP  93 -17.350   7.104  -0.588
  764    H    ARG  94           H        ARG  94 -15.906   6.974  -4.395
  765    HA   ARG  94           HA       ARG  94 -16.999   7.584  -6.256
  766    HB2  ARG  94           HB2      ARG  94 -19.194   5.843  -5.162
  767    HB3  ARG  94           HB3      ARG  94 -19.056   6.398  -6.825
  768    HG2  ARG  94           HG2      ARG  94 -17.118   4.607  -5.378
  769    HG3  ARG  94           HG3      ARG  94 -18.278   4.117  -6.614
  770    HD2  ARG  94           HD2      ARG  94 -17.141   5.525  -8.251
  771    HD3  ARG  94           HD3      ARG  94 -15.995   6.049  -7.016
  772    HE   ARG  94           HE       ARG  94 -15.853   3.293  -7.044
  773   HH11  ARG  94          HH12      ARG  94 -15.267   5.900  -9.329
  774   HH12  ARG  94          HH11      ARG  94 -14.070   4.998 -10.225
  775   HH21  ARG  94          HH22      ARG  94 -14.335   2.123  -8.225
  776   HH22  ARG  94          HH21      ARG  94 -13.568   2.835  -9.617
  777    H    PHE  95           H        PHE  95 -18.705   8.299  -3.291
  778    HA   PHE  95           HA       PHE  95 -20.099  10.508  -4.618
  779    HB2  PHE  95           HB2      PHE  95 -21.562   8.487  -2.895
  780    HB3  PHE  95           HB3      PHE  95 -22.257   9.922  -3.632
  781    HD1  PHE  95           HD1      PHE  95 -22.383  10.036  -6.153
  782    HD2  PHE  95           HD2      PHE  95 -21.500   6.453  -4.037
  783    HE1  PHE  95           HE1      PHE  95 -23.004   8.718  -8.136
  784    HE2  PHE  95           HE2      PHE  95 -22.122   5.129  -6.013
  785    HZ   PHE  95           HZ       PHE  95 -22.884   6.251  -8.056
  786    H    SER  96           H        SER  96 -20.039   8.744  -1.537
  787    HA   SER  96           HA       SER  96 -20.166  11.146   0.003
  788    HB2  SER  96           HB2      SER  96 -19.708   9.552   1.918
  789    HB3  SER  96           HB3      SER  96 -21.134   9.170   0.953
  790    HG   SER  96           HG       SER  96 -18.744   7.795   1.238
  791    H    LYS  97           H        LYS  97 -18.448  11.457   1.767
  792    HA   LYS  97           HA       LYS  97 -15.976  11.897   0.445
  793    HB2  LYS  97           HB2      LYS  97 -16.726  12.182   3.361
  794    HB3  LYS  97           HB3      LYS  97 -15.216  12.744   2.654
  795    HG2  LYS  97           HG2      LYS  97 -16.444  14.277   1.217
  796    HG3  LYS  97           HG3      LYS  97 -17.968  13.700   1.892
  797    HD2  LYS  97           HD2      LYS  97 -17.338  14.520   4.086
  798    HD3  LYS  97           HD3      LYS  97 -15.765  15.030   3.467
  799    HE2  LYS  97           HE2      LYS  97 -17.291  16.922   3.649
  800    HE3  LYS  97           HE3      LYS  97 -16.866  16.612   1.969
  801    HZ1  LYS  97           HZ1      LYS  97 -19.368  15.649   3.248
  802    HZ2  LYS  97           HZ2      LYS  97 -18.972  15.591   1.599
  803    HZ3  LYS  97           HZ3      LYS  97 -19.250  17.084   2.347
  804    H    HIS  98           H        HIS  98 -14.357  10.630   0.274
  805    HA   HIS  98           HA       HIS  98 -14.425   7.940   0.965
  806    HB2  HIS  98           HB2      HIS  98 -11.953   9.521   0.250
  807    HB3  HIS  98           HB3      HIS  98 -12.198   7.793   0.060
  808    HD1  HIS  98           HD1      HIS  98 -12.445   7.212  -2.289
  809    HD2  HIS  98           HD2      HIS  98 -14.115  10.924  -1.457
  810    HE1  HIS  98           HE1      HIS  98 -13.258   8.110  -4.508
  811    HE2  HIS  98           HE2      HIS  98 -14.115  10.426  -3.993
  812    H    ASP  99           H        ASP  99 -14.181   7.123   2.854
  813    HA   ASP  99           HA       ASP  99 -12.411   8.287   4.842
  814    HB2  ASP  99           HB2      ASP  99 -14.620   7.345   5.501
  815    HB3  ASP  99           HB3      ASP  99 -14.085   5.762   4.949
  816    H    ILE 100           H        ILE 100 -10.276   7.622   5.075
  817    HA   ILE 100           HA       ILE 100  -9.259   5.466   3.540
  818    HB   ILE 100           HB       ILE 100  -8.197   6.760   6.074
  819   HG12  ILE 100          HG12      ILE 100  -6.408   7.566   4.403
  820   HG13  ILE 100          HG13      ILE 100  -7.558   7.113   3.151
  821   HG21  ILE 100          HG21      ILE 100  -6.814   4.759   4.295
  822   HG22  ILE 100          HG22      ILE 100  -6.087   5.611   5.658
  823   HG23  ILE 100          HG23      ILE 100  -7.400   4.466   5.933
  824   HD11  ILE 100          HD11      ILE 100  -8.020   9.127   5.336
  825   HD12  ILE 100          HD12      ILE 100  -7.683   9.479   3.641
  826   HD13  ILE 100          HD13      ILE 100  -9.185   8.672   4.093
  827    H    ILE 101           H        ILE 101  -9.650   3.408   3.856
  828    HA   ILE 101           HA       ILE 101 -11.249   2.563   6.059
  829    HB   ILE 101           HB       ILE 101 -10.563   0.224   4.867
  830   HG12  ILE 101          HG12      ILE 101 -10.562   2.312   2.683
  831   HG13  ILE 101          HG13      ILE 101  -9.141   1.422   3.218
  832   HG21  ILE 101          HG21      ILE 101 -12.689   0.415   3.684
  833   HG22  ILE 101          HG22      ILE 101 -12.808   1.034   5.331
  834   HG23  ILE 101          HG23      ILE 101 -12.695   2.155   3.975
  835   HD11  ILE 101          HD11      ILE 101 -11.612   0.250   1.957
  836   HD12  ILE 101          HD12      ILE 101 -10.045   0.477   1.179
  837   HD13  ILE 101          HD13      ILE 101 -10.211  -0.667   2.511
  838    H    GLY 102           H        GLY 102  -7.970   1.980   4.941
  839    HA2  GLY 102           HA3      GLY 102  -7.037   1.545   7.594
  840    HA3  GLY 102           HA2      GLY 102  -7.184   0.032   6.704
  841    H    GLU 103           H        GLU 103  -4.880  -0.145   6.945
  842    HA   GLU 103           HA       GLU 103  -3.305   1.473   5.184
  843    HB2  GLU 103           HB2      GLU 103  -3.452   2.000   8.063
  844    HB3  GLU 103           HB3      GLU 103  -1.856   2.043   7.325
  845    HG2  GLU 103           HG2      GLU 103  -3.220   3.412   5.536
  846    HG3  GLU 103           HG3      GLU 103  -4.160   3.825   6.963
  847    H    PHE 104           H        PHE 104  -1.042   1.272   5.693
  848    HA   PHE 104           HA       PHE 104  -0.142  -1.463   6.049
  849    HB2  PHE 104           HB2      PHE 104  -0.876  -0.959   3.624
  850    HB3  PHE 104           HB3      PHE 104   0.434   0.205   3.575
  851    HD1  PHE 104           HD1      PHE 104   1.283  -2.679   5.502
  852    HD2  PHE 104           HD2      PHE 104   1.004  -1.188   1.531
  853    HE1  PHE 104           HE1      PHE 104   2.807  -4.449   4.728
  854    HE2  PHE 104           HE2      PHE 104   2.533  -2.949   0.754
  855    HZ   PHE 104           HZ       PHE 104   3.436  -4.585   2.354
  856    H    LYS 105           H        LYS 105   2.512  -0.808   5.202
  857    HA   LYS 105           HA       LYS 105   3.002   0.618   7.669
  858    HB2  LYS 105           HB2      LYS 105   5.115  -0.835   7.757
  859    HB3  LYS 105           HB3      LYS 105   3.563  -1.599   8.055
  860    HG2  LYS 105           HG2      LYS 105   4.670  -3.092   6.669
  861    HG3  LYS 105           HG3      LYS 105   3.599  -2.220   5.574
  862    HD2  LYS 105           HD2      LYS 105   6.040  -0.793   5.688
  863    HD3  LYS 105           HD3      LYS 105   6.435  -2.497   5.472
  864    HE2  LYS 105           HE2      LYS 105   6.198  -1.571   3.302
  865    HE3  LYS 105           HE3      LYS 105   4.758  -2.541   3.605
  866    HZ1  LYS 105           HZ1      LYS 105   4.259  -0.383   2.578
  867    HZ2  LYS 105           HZ2      LYS 105   4.901   0.409   3.932
  868    HZ3  LYS 105           HZ3      LYS 105   3.522  -0.550   4.090
  869    H    VAL 106           H        VAL 106   6.284   0.793   6.843
  870    HA   VAL 106           HA       VAL 106   5.359   3.139   7.951
  871    HB   VAL 106           HB       VAL 106   5.847   2.381  10.298
  872   HG11  VAL 106          HG11      VAL 106   3.598   1.493  10.730
  873   HG12  VAL 106          HG12      VAL 106   3.571   2.858   9.612
  874   HG13  VAL 106          HG13      VAL 106   3.397   1.213   9.001
  875   HG21  VAL 106          HG21      VAL 106   5.519   0.005  10.847
  876   HG22  VAL 106          HG22      VAL 106   5.473  -0.359   9.122
  877   HG23  VAL 106          HG23      VAL 106   6.946   0.285   9.847
  878    HA   PRO 107           HA       PRO 107   8.992   4.780   7.092
  879    HB2  PRO 107           HB2      PRO 107  10.379   4.584   9.580
  880    HB3  PRO 107           HB3      PRO 107   9.580   5.969   8.840
  881    HG2  PRO 107           HG2      PRO 107   8.463   3.926  10.673
  882    HG3  PRO 107           HG3      PRO 107   8.156   5.670  10.655
  883    HD2  PRO 107           HD2      PRO 107   6.292   4.183   9.671
  884    HD3  PRO 107           HD3      PRO 107   6.910   5.470   8.587
  885    H    MET 108           H        MET 108  10.546   4.277   6.082
  886    HA   MET 108           HA       MET 108  11.811   1.794   5.876
  887    HB2  MET 108           HB2      MET 108  12.824   4.468   4.901
  888    HB3  MET 108           HB3      MET 108  13.319   2.882   4.317
  889    HG2  MET 108           HG2      MET 108  10.787   4.373   3.855
  890    HG3  MET 108           HG3      MET 108  11.890   3.649   2.692
  891    HE1  MET 108           HE1      MET 108  11.066  -0.192   3.148
  892    HE2  MET 108           HE2      MET 108  12.068   0.979   2.293
  893    HE3  MET 108           HE3      MET 108  12.301   0.716   4.022
  894    H    ASN 109           H        ASN 109  12.282   4.484   7.911
  895    HA   ASN 109           HA       ASN 109  15.038   4.515   8.309
  896    HB2  ASN 109           HB2      ASN 109  13.112   4.904  10.595
  897    HB3  ASN 109           HB3      ASN 109  14.619   5.747  10.281
  898   HD21  ASN 109          HD21      ASN 109  14.032   6.335   7.511
  899   HD22  ASN 109          HD22      ASN 109  12.808   7.560   7.526
  900    H    THR 110           H        THR 110  12.533   2.426   9.576
  901    HA   THR 110           HA       THR 110  14.440   1.066  11.330
  902    HB   THR 110           HB       THR 110  12.312  -0.235  12.002
  903    HG1  THR 110           HG1      THR 110  10.762   0.329  10.600
  904   HG21  THR 110          HG21      THR 110  11.650   1.538  13.567
  905   HG22  THR 110          HG22      THR 110  12.551   2.715  12.611
  906   HG23  THR 110          HG23      THR 110  13.403   1.411  13.441
  907    H    VAL 111           H        VAL 111  12.656   0.709   8.387
  908    HA   VAL 111           HA       VAL 111  13.182  -2.149   8.226
  909    HB   VAL 111           HB       VAL 111  11.849  -0.339   6.208
  910   HG11  VAL 111          HG11      VAL 111  12.711  -2.353   5.180
  911   HG12  VAL 111          HG12      VAL 111  11.954  -3.346   6.427
  912   HG13  VAL 111          HG13      VAL 111  10.954  -2.444   5.288
  913   HG21  VAL 111          HG21      VAL 111   9.744  -1.280   7.050
  914   HG22  VAL 111          HG22      VAL 111  10.639  -2.139   8.304
  915   HG23  VAL 111          HG23      VAL 111  10.607  -0.375   8.295
  916    H    ASP 112           H        ASP 112  15.160  -2.770   7.606
  917    HA   ASP 112           HA       ASP 112  16.695  -1.254   5.669
  918    HB2  ASP 112           HB2      ASP 112  17.209  -4.040   6.754
  919    HB3  ASP 112           HB3      ASP 112  18.342  -3.072   5.822
  920    H    PHE 113           H        PHE 113  16.020  -1.304   3.591
  921    HA   PHE 113           HA       PHE 113  14.844  -3.820   2.609
  922    HB2  PHE 113           HB2      PHE 113  13.841  -1.274   2.476
  923    HB3  PHE 113           HB3      PHE 113  14.607  -1.444   0.898
  924    HD1  PHE 113           HD2      PHE 113  14.048  -3.636  -0.395
  925    HD2  PHE 113           HD1      PHE 113  11.707  -2.056   2.785
  926    HE1  PHE 113           HE2      PHE 113  12.107  -4.913  -1.196
  927    HE2  PHE 113           HE1      PHE 113   9.759  -3.330   1.990
  928    HZ   PHE 113           HZ       PHE 113   9.960  -4.759  -0.004
  929    H    GLY 114           H        GLY 114  17.282  -4.263   2.716
  930    HA2  GLY 114           HA3      GLY 114  18.792  -3.558   0.383
  931    HA3  GLY 114           HA2      GLY 114  19.166  -4.846   1.528
  932    H    HIS 115           H        HIS 115  16.853  -6.279   1.423
  933    HA   HIS 115           HA       HIS 115  17.174  -7.536  -1.205
  934    HB2  HIS 115           HB2      HIS 115  16.510  -9.658   0.143
  935    HB3  HIS 115           HB3      HIS 115  18.146  -9.034   0.312
  936    HD1  HIS 115           HD1      HIS 115  15.092  -9.809   2.266
  937    HD2  HIS 115           HD2      HIS 115  18.630  -7.683   2.807
  938    HE1  HIS 115           HE1      HIS 115  15.273  -9.402   4.737
  939    HE2  HIS 115           HE2      HIS 115  17.528  -8.333   5.051
  940    H    VAL 116           H        VAL 116  15.003  -9.389   0.169
  941    HA   VAL 116           HA       VAL 116  12.746  -7.827  -0.874
  942    HB   VAL 116           HB       VAL 116  13.314  -9.619  -2.415
  943   HG11  VAL 116          HG11      VAL 116  13.155 -11.980  -1.759
  944   HG12  VAL 116          HG12      VAL 116  14.454 -11.133  -0.920
  945   HG13  VAL 116          HG13      VAL 116  12.944 -11.483  -0.080
  946   HG21  VAL 116          HG21      VAL 116  11.172 -10.795  -2.522
  947   HG22  VAL 116          HG22      VAL 116  10.804 -10.272  -0.878
  948   HG23  VAL 116          HG23      VAL 116  10.952  -9.081  -2.170
  949    H    THR 117           H        THR 117  11.091  -7.503   0.497
  950    HA   THR 117           HA       THR 117  10.966  -9.094   2.944
  951    HB   THR 117           HB       THR 117   9.500  -6.599   2.064
  952    HG1  THR 117           HG1      THR 117  11.523  -7.178   3.979
  953   HG21  THR 117          HG21      THR 117   7.998  -7.949   3.436
  954   HG22  THR 117          HG22      THR 117   8.559  -6.542   4.341
  955   HG23  THR 117          HG23      THR 117   9.255  -8.131   4.660
  956    H    GLU 118           H        GLU 118   9.626 -10.799   3.045
  957    HA   GLU 118           HA       GLU 118   7.244 -10.770   1.294
  958    HB2  GLU 118           HB2      GLU 118   8.791 -13.228   2.141
  959    HB3  GLU 118           HB3      GLU 118   7.376 -13.193   1.100
  960    HG2  GLU 118           HG2      GLU 118   8.672 -11.931  -0.570
  961    HG3  GLU 118           HG3      GLU 118  10.091 -12.063   0.468
  962    H    GLU 119           H        GLU 119   5.448 -10.507   2.534
  963    HA   GLU 119           HA       GLU 119   5.282 -12.117   4.915
  964    HB2  GLU 119           HB2      GLU 119   4.907 -10.207   6.433
  965    HB3  GLU 119           HB3      GLU 119   6.572 -10.359   5.876
  966    HG2  GLU 119           HG2      GLU 119   6.151  -8.594   4.208
  967    HG3  GLU 119           HG3      GLU 119   4.519  -8.411   4.847
  968    H    TRP 120           H        TRP 120   3.383 -12.044   5.934
  969    HA   TRP 120           HA       TRP 120   1.143 -11.193   4.258
  970    HB2  TRP 120           HB2      TRP 120   0.874 -12.697   6.855
  971    HB3  TRP 120           HB3      TRP 120  -0.170 -12.751   5.437
  972    HD1  TRP 120           HD1      TRP 120   1.759 -15.094   7.132
  973    HE1  TRP 120           HE1      TRP 120   2.931 -16.811   5.611
  974    HE3  TRP 120           HE3      TRP 120   1.430 -12.589   2.698
  975    HZ2  TRP 120           HZ2      TRP 120   3.628 -17.053   2.875
  976    HZ3  TRP 120           HZ3      TRP 120   2.361 -13.608   0.681
  977    HH2  TRP 120           HH2      TRP 120   3.447 -15.806   0.762
  978    H    ARG 121           H        ARG 121   0.785  -9.061   4.619
  979    HA   ARG 121           HA       ARG 121   1.131  -8.150   7.394
  980    HB2  ARG 121           HB2      ARG 121   2.739  -7.219   5.798
  981    HB3  ARG 121           HB3      ARG 121   1.413  -6.643   4.792
  982    HG2  ARG 121           HG2      ARG 121   2.342  -4.833   6.106
  983    HG3  ARG 121           HG3      ARG 121   0.675  -5.154   6.579
  984    HD2  ARG 121           HD2      ARG 121   1.827  -4.833   8.593
  985    HD3  ARG 121           HD3      ARG 121   1.659  -6.581   8.445
  986    HE   ARG 121           HE       ARG 121   4.063  -6.223   7.361
  987   HH11  ARG 121          HH12      ARG 121   2.676  -4.921  10.322
  988   HH12  ARG 121          HH11      ARG 121   4.218  -4.773  11.115
  989   HH21  ARG 121          HH22      ARG 121   6.060  -6.017   8.379
  990   HH22  ARG 121          HH21      ARG 121   6.168  -5.360   9.990
  991    H    ASP 122           H        ASP 122  -0.454  -7.007   8.354
  992    HA   ASP 122           HA       ASP 122  -3.055  -7.235   7.102
  993    HB2  ASP 122           HB2      ASP 122  -3.883  -6.631   9.436
  994    HB3  ASP 122           HB3      ASP 122  -3.071  -8.180   9.267
  995    H    LEU 123           H        LEU 123  -4.399  -5.580   6.737
  996    HA   LEU 123           HA       LEU 123  -3.231  -2.949   6.715
  997    HB2  LEU 123           HB2      LEU 123  -6.000  -3.842   5.927
  998    HB3  LEU 123           HB3      LEU 123  -5.417  -2.194   5.811
  999    HG   LEU 123           HG       LEU 123  -5.217  -2.988   3.650
 1000   HD11  LEU 123          HD11      LEU 123  -3.120  -1.960   4.448
 1001   HD12  LEU 123          HD12      LEU 123  -2.527  -3.565   4.884
 1002   HD13  LEU 123          HD13      LEU 123  -2.841  -3.178   3.191
 1003   HD21  LEU 123          HD21      LEU 123  -5.753  -5.288   4.132
 1004   HD22  LEU 123          HD22      LEU 123  -4.326  -5.202   3.092
 1005   HD23  LEU 123          HD23      LEU 123  -4.148  -5.541   4.815
 1006    H    GLN 124           H        GLN 124  -3.470  -1.499   8.205
 1007    HA   GLN 124           HA       GLN 124  -5.092  -2.263  10.508
 1008    HB2  GLN 124           HB2      GLN 124  -3.682  -0.705  11.754
 1009    HB3  GLN 124           HB3      GLN 124  -2.678  -1.858  10.882
 1010    HG2  GLN 124           HG2      GLN 124  -2.658  -0.004   9.046
 1011    HG3  GLN 124           HG3      GLN 124  -3.079   1.039  10.415
 1012   HE21  GLN 124          HE21      GLN 124  -0.815  -1.165   9.092
 1013   HE22  GLN 124          HE22      GLN 124   0.570  -0.676  10.021
 1014    H    SER 125           H        SER 125  -6.661  -0.953  11.125
 1015    HA   SER 125           HA       SER 125  -7.781   0.777   9.159
 1016    HB2  SER 125           HB2      SER 125  -9.166  -0.598  10.741
 1017    HB3  SER 125           HB3      SER 125  -8.692   0.507  12.031
 1018    HG   SER 125           HG       SER 125  -9.956   1.351   9.627
 1019    H    ALA 126           H        ALA 126  -7.055   2.735   8.770
 1020    HA   ALA 126           HA       ALA 126  -5.843   4.256  10.938
 1021    HB1  ALA 126           HB1      ALA 126  -5.782   4.761   7.969
 1022    HB2  ALA 126           HB2      ALA 126  -4.884   5.651   9.199
 1023    HB3  ALA 126           HB3      ALA 126  -4.520   3.951   8.898
 1024    H    GLU 127           H        GLU 127  -6.567   6.158  11.558
 1025    HA   GLU 127           HA       GLU 127  -9.065   7.164  10.390
 1026    HB2  GLU 127           HB2      GLU 127  -9.170   6.393  12.769
 1027    HB3  GLU 127           HB3      GLU 127  -7.988   7.629  13.177
 1028    HG2  GLU 127           HG2      GLU 127  -9.514   9.372  12.557
 1029    HG3  GLU 127           HG3      GLU 127 -10.679   8.190  11.957
 1030    H    LYS 128           H        LYS 128  -8.139   8.450   8.828
 1031    HA   LYS 128           HA       LYS 128  -5.977  10.253   9.675
 1032    HB2  LYS 128           HB2      LYS 128  -6.648   9.196   6.926
 1033    HB3  LYS 128           HB3      LYS 128  -5.309  10.263   7.298
 1034    HG2  LYS 128           HG2      LYS 128  -5.678   7.396   8.124
 1035    HG3  LYS 128           HG3      LYS 128  -4.429   8.073   7.078
 1036    HD2  LYS 128           HD2      LYS 128  -4.755   8.651  10.025
 1037    HD3  LYS 128           HD3      LYS 128  -3.580   7.539   9.322
 1038    HE2  LYS 128           HE2      LYS 128  -2.494   9.354   8.160
 1039    HE3  LYS 128           HE3      LYS 128  -3.723  10.491   8.718
 1040    HZ1  LYS 128           HZ1      LYS 128  -1.773  10.702  10.072
 1041    HZ2  LYS 128           HZ2      LYS 128  -1.753   9.040  10.407
 1042    HZ3  LYS 128           HZ3      LYS 128  -3.006  10.008  11.010
  Start of MODEL   19
    1    H1   GLU   1           H1       GLU   1  -8.293  -2.720  16.221
    2    H2   GLU   1           H2       GLU   1  -8.148  -1.043  16.402
    3    H3   GLU   1           H3       GLU   1  -6.793  -1.965  15.964
    4    HA   GLU   1           HA       GLU   1  -9.193  -1.356  14.363
    5    HB2  GLU   1           HB2      GLU   1  -7.477  -0.591  12.711
    6    HB3  GLU   1           HB3      GLU   1  -7.537   0.348  14.190
    7    HG2  GLU   1           HG2      GLU   1  -5.556  -1.870  13.853
    8    HG3  GLU   1           HG3      GLU   1  -5.248  -0.261  13.199
    9    H    LYS   2           H        LYS   2  -8.986  -2.240  12.054
   10    HA   LYS   2           HA       LYS   2  -7.830  -4.747  11.634
   11    HB2  LYS   2           HB2      LYS   2  -9.820  -6.177  11.975
   12    HB3  LYS   2           HB3      LYS   2  -9.271  -5.470  13.487
   13    HG2  LYS   2           HG2      LYS   2 -11.448  -4.191  11.884
   14    HG3  LYS   2           HG3      LYS   2 -11.781  -5.516  12.978
   15    HD2  LYS   2           HD2      LYS   2 -11.090  -4.259  14.866
   16    HD3  LYS   2           HD3      LYS   2 -10.375  -3.010  13.840
   17    HE2  LYS   2           HE2      LYS   2 -12.611  -2.495  12.958
   18    HE3  LYS   2           HE3      LYS   2 -13.306  -3.675  14.075
   19    HZ1  LYS   2           HZ1      LYS   2 -12.350  -2.343  15.916
   20    HZ2  LYS   2           HZ2      LYS   2 -13.518  -1.503  15.016
   21    HZ3  LYS   2           HZ3      LYS   2 -11.871  -1.172  14.784
   22    H    LEU   3           H        LEU   3  -7.592  -3.560   9.761
   23    HA   LEU   3           HA       LEU   3  -9.789  -2.878   8.149
   24    HB2  LEU   3           HB2      LEU   3  -7.817  -1.413   8.434
   25    HB3  LEU   3           HB3      LEU   3  -6.846  -2.635   7.640
   26    HG   LEU   3           HG       LEU   3  -8.241  -2.361   5.631
   27   HD11  LEU   3          HD11      LEU   3 -10.236  -1.475   6.728
   28   HD12  LEU   3          HD12      LEU   3  -9.348  -0.012   7.153
   29   HD13  LEU   3          HD13      LEU   3  -9.665  -0.390   5.460
   30   HD21  LEU   3          HD21      LEU   3  -6.082  -1.254   5.904
   31   HD22  LEU   3          HD22      LEU   3  -7.206  -0.307   4.926
   32   HD23  LEU   3          HD23      LEU   3  -6.907   0.141   6.604
   33    H    GLY   4           H        GLY   4  -8.184  -5.650   8.849
   34    HA2  GLY   4           HA3      GLY   4  -8.168  -7.660   7.566
   35    HA3  GLY   4           HA2      GLY   4  -8.331  -6.685   6.111
   36    H    LYS   5           H        LYS   5  -6.498  -7.592   5.040
   37    HA   LYS   5           HA       LYS   5  -3.966  -6.814   6.369
   38    HB2  LYS   5           HB2      LYS   5  -4.257  -9.615   5.264
   39    HB3  LYS   5           HB3      LYS   5  -2.856  -8.918   6.042
   40    HG2  LYS   5           HG2      LYS   5  -4.153  -8.750   8.148
   41    HG3  LYS   5           HG3      LYS   5  -5.468  -9.618   7.354
   42    HD2  LYS   5           HD2      LYS   5  -4.202 -11.219   8.588
   43    HD3  LYS   5           HD3      LYS   5  -3.840 -11.464   6.880
   44    HE2  LYS   5           HE2      LYS   5  -1.770 -11.594   8.014
   45    HE3  LYS   5           HE3      LYS   5  -1.798 -10.013   7.233
   46    HZ1  LYS   5           HZ1      LYS   5  -2.566 -10.426  10.067
   47    HZ2  LYS   5           HZ2      LYS   5  -2.245  -8.962   9.284
   48    HZ3  LYS   5           HZ3      LYS   5  -0.985 -10.051   9.586
   49    H    LEU   6           H        LEU   6  -2.138  -7.387   4.577
   50    HA   LEU   6           HA       LEU   6  -3.341  -7.738   2.019
   51    HB2  LEU   6           HB2      LEU   6  -2.975  -5.760   1.066
   52    HB3  LEU   6           HB3      LEU   6  -2.971  -5.202   2.718
   53    HG   LEU   6           HG       LEU   6  -0.345  -5.931   1.594
   54   HD11  LEU   6          HD11      LEU   6  -1.524  -4.765  -0.256
   55   HD12  LEU   6          HD12      LEU   6  -1.817  -3.393   0.828
   56   HD13  LEU   6          HD13      LEU   6  -0.163  -3.839   0.388
   57   HD21  LEU   6          HD21      LEU   6   0.303  -3.937   2.889
   58   HD22  LEU   6          HD22      LEU   6  -1.394  -3.561   3.204
   59   HD23  LEU   6          HD23      LEU   6  -0.664  -5.014   3.899
   60    H    GLN   7           H        GLN   7  -2.354  -9.354   1.255
   61    HA   GLN   7           HA       GLN   7   0.293 -10.060   2.210
   62    HB2  GLN   7           HB2      GLN   7  -1.679 -11.384   0.340
   63    HB3  GLN   7           HB3      GLN   7  -0.021 -11.940   0.447
   64    HG2  GLN   7           HG2      GLN   7  -1.194 -13.391   1.814
   65    HG3  GLN   7           HG3      GLN   7  -0.443 -12.262   2.930
   66   HE21  GLN   7          HE21      GLN   7  -2.332 -10.161   2.522
   67   HE22  GLN   7          HE22      GLN   7  -3.819 -10.670   3.264
   68    H    TYR   8           H        TYR   8   2.137  -9.390   1.190
   69    HA   TYR   8           HA       TYR   8   1.921  -8.861  -1.683
   70    HB2  TYR   8           HB2      TYR   8   3.228  -6.799  -1.449
   71    HB3  TYR   8           HB3      TYR   8   1.657  -6.724  -0.670
   72    HD1  TYR   8           HD2      TYR   8   4.653  -8.337   0.849
   73    HD2  TYR   8           HD1      TYR   8   2.142  -4.903   0.759
   74    HE1  TYR   8           HE2      TYR   8   5.763  -7.478   2.866
   75    HE2  TYR   8           HE1      TYR   8   3.248  -4.036   2.772
   76    HH   TYR   8           HH       TYR   8   6.123  -5.464   4.056
   77    H    SER   9           H        SER   9   4.137  -8.252  -2.648
   78    HA   SER   9           HA       SER   9   6.403  -9.424  -1.265
   79    HB2  SER   9           HB2      SER   9   6.973 -10.304  -3.777
   80    HB3  SER   9           HB3      SER   9   6.324 -11.306  -2.488
   81    HG   SER   9           HG       SER   9   4.378 -11.281  -3.398
   82    H    LEU  10           H        LEU  10   7.701  -7.845  -1.135
   83    HA   LEU  10           HA       LEU  10   7.781  -5.792  -3.212
   84    HB2  LEU  10           HB2      LEU  10   8.777  -5.448  -0.410
   85    HB3  LEU  10           HB3      LEU  10   8.242  -4.226  -1.540
   86    HG   LEU  10           HG       LEU  10   6.640  -5.946   0.294
   87   HD11  LEU  10          HD11      LEU  10   6.563  -3.082  -0.576
   88   HD12  LEU  10          HD12      LEU  10   5.480  -3.809   0.612
   89   HD13  LEU  10          HD13      LEU  10   7.212  -3.710   0.945
   90   HD21  LEU  10          HD21      LEU  10   5.665  -6.350  -1.963
   91   HD22  LEU  10          HD22      LEU  10   4.581  -5.513  -0.841
   92   HD23  LEU  10          HD23      LEU  10   5.420  -4.607  -2.117
   93    H    ASP  11           H        ASP  11   9.754  -5.276  -4.162
   94    HA   ASP  11           HA       ASP  11  12.122  -6.673  -3.069
   95    HB2  ASP  11           HB2      ASP  11  12.816  -7.421  -5.266
   96    HB3  ASP  11           HB3      ASP  11  11.191  -8.014  -4.951
   97    H    TYR  12           H        TYR  12  14.181  -5.785  -4.333
   98    HA   TYR  12           HA       TYR  12  13.743  -2.903  -4.893
   99    HB2  TYR  12           HB2      TYR  12  15.564  -2.271  -3.612
  100    HB3  TYR  12           HB3      TYR  12  14.850  -3.548  -2.641
  101    HD1  TYR  12           HD1      TYR  12  15.888  -6.006  -3.382
  102    HD2  TYR  12           HD2      TYR  12  17.840  -2.238  -3.648
  103    HE1  TYR  12           HE1      TYR  12  18.063  -7.134  -3.317
  104    HE2  TYR  12           HE2      TYR  12  20.023  -3.362  -3.583
  105    HH   TYR  12           HH       TYR  12  20.399  -6.671  -4.064
  106    H    ASP  13           H        ASP  13  14.378  -2.242  -6.799
  107    HA   ASP  13           HA       ASP  13  16.523  -3.703  -8.191
  108    HB2  ASP  13           HB2      ASP  13  14.732  -2.786  -9.637
  109    HB3  ASP  13           HB3      ASP  13  15.088  -1.164  -9.044
  110    H    PHE  14           H        PHE  14  18.663  -2.927  -8.176
  111    HA   PHE  14           HA       PHE  14  18.884  -1.196  -5.861
  112    HB2  PHE  14           HB2      PHE  14  21.169  -2.051  -5.631
  113    HB3  PHE  14           HB3      PHE  14  19.981  -3.343  -5.669
  114    HD1  PHE  14           HD2      PHE  14  22.724  -1.720  -7.475
  115    HD2  PHE  14           HD1      PHE  14  19.920  -4.921  -7.483
  116    HE1  PHE  14           HE2      PHE  14  23.984  -2.814  -9.282
  117    HE2  PHE  14           HE1      PHE  14  21.173  -6.021  -9.293
  118    HZ   PHE  14           HZ       PHE  14  23.245  -4.981 -10.156
  119    H    GLN  15           H        GLN  15  19.658  -1.026  -9.327
  120    HA   GLN  15           HA       GLN  15  21.406   1.187  -8.606
  121    HB2  GLN  15           HB2      GLN  15  21.885   1.289 -11.022
  122    HB3  GLN  15           HB3      GLN  15  22.260  -0.256 -10.298
  123    HG2  GLN  15           HG2      GLN  15  21.296  -0.759 -12.369
  124    HG3  GLN  15           HG3      GLN  15  20.018  -1.047 -11.188
  125   HE21  GLN  15          HE21      GLN  15  18.168   0.154 -11.264
  126   HE22  GLN  15          HE22      GLN  15  17.861   1.373 -12.459
  127    H    ASN  16           H        ASN  16  18.003   0.976  -9.186
  128    HA   ASN  16           HA       ASN  16  18.245   3.876  -9.387
  129    HB2  ASN  16           HB2      ASN  16  15.694   3.685  -9.448
  130    HB3  ASN  16           HB3      ASN  16  16.581   3.213 -10.881
  131   HD21  ASN  16          HD21      ASN  16  14.931   1.911 -11.601
  132   HD22  ASN  16          HD22      ASN  16  14.541   0.404 -10.845
  133    H    ASN  17           H        ASN  17  18.260   1.403  -7.361
  134    HA   ASN  17           HA       ASN  17  18.255   1.086  -5.164
  135    HB2  ASN  17           HB2      ASN  17  18.394   4.082  -4.950
  136    HB3  ASN  17           HB3      ASN  17  18.895   2.911  -3.745
  137   HD21  ASN  17          HD21      ASN  17  19.677   4.518  -6.679
  138   HD22  ASN  17          HD22      ASN  17  21.343   4.000  -6.761
  139    H    GLN  18           H        GLN  18  15.875   0.867  -6.180
  140    HA   GLN  18           HA       GLN  18  14.127   2.351  -4.362
  141    HB2  GLN  18           HB2      GLN  18  12.345   2.219  -6.003
  142    HB3  GLN  18           HB3      GLN  18  13.718   3.062  -6.676
  143    HG2  GLN  18           HG2      GLN  18  13.715   1.669  -8.411
  144    HG3  GLN  18           HG3      GLN  18  13.873   0.281  -7.338
  145   HE21  GLN  18          HE21      GLN  18  11.378   0.741  -5.975
  146   HE22  GLN  18          HE22      GLN  18  10.092   0.294  -7.056
  147    H    LEU  19           H        LEU  19  13.013   1.195  -3.123
  148    HA   LEU  19           HA       LEU  19  12.755  -1.628  -3.470
  149    HB2  LEU  19           HB2      LEU  19  11.187   0.069  -1.562
  150    HB3  LEU  19           HB3      LEU  19  11.718  -1.600  -1.371
  151    HG   LEU  19           HG       LEU  19  13.592   0.759  -1.460
  152   HD11  LEU  19          HD11      LEU  19  12.189   0.950   0.499
  153   HD12  LEU  19          HD12      LEU  19  12.465  -0.746   0.901
  154   HD13  LEU  19          HD13      LEU  19  13.796   0.406   0.982
  155   HD21  LEU  19          HD21      LEU  19  14.021  -2.106  -0.634
  156   HD22  LEU  19          HD22      LEU  19  14.586  -1.357  -2.129
  157   HD23  LEU  19          HD23      LEU  19  15.220  -0.811  -0.576
  158    H    LEU  20           H        LEU  20  10.750  -2.599  -3.660
  159    HA   LEU  20           HA       LEU  20   8.926  -1.208  -5.525
  160    HB2  LEU  20           HB2      LEU  20  10.244  -3.932  -5.452
  161    HB3  LEU  20           HB3      LEU  20   8.702  -3.756  -6.257
  162    HG   LEU  20           HG       LEU  20  10.407  -3.769  -7.894
  163   HD11  LEU  20          HD11      LEU  20   8.575  -2.191  -8.222
  164   HD12  LEU  20          HD12      LEU  20   9.564  -0.919  -7.503
  165   HD13  LEU  20          HD13      LEU  20  10.071  -1.678  -9.013
  166   HD21  LEU  20          HD21      LEU  20  12.302  -3.231  -6.477
  167   HD22  LEU  20          HD22      LEU  20  12.278  -2.209  -7.915
  168   HD23  LEU  20          HD23      LEU  20  11.756  -1.557  -6.361
  169    H    VAL  21           H        VAL  21   6.719  -1.536  -5.004
  170    HA   VAL  21           HA       VAL  21   6.266  -3.407  -2.738
  171    HB   VAL  21           HB       VAL  21   4.762  -0.827  -3.261
  172   HG11  VAL  21          HG11      VAL  21   3.346  -2.458  -2.197
  173   HG12  VAL  21          HG12      VAL  21   4.583  -2.798  -0.988
  174   HG13  VAL  21          HG13      VAL  21   3.793  -1.221  -1.022
  175   HG21  VAL  21          HG21      VAL  21   7.024  -0.353  -2.512
  176   HG22  VAL  21          HG22      VAL  21   5.862   0.027  -1.241
  177   HG23  VAL  21          HG23      VAL  21   6.822  -1.451  -1.147
  178    H    GLY  22           H        GLY  22   5.876  -4.990  -4.299
  179    HA2  GLY  22           HA3      GLY  22   3.642  -4.595  -6.153
  180    HA3  GLY  22           HA2      GLY  22   4.849  -5.880  -6.204
  181    H    ILE  23           H        ILE  23   1.782  -4.888  -4.891
  182    HA   ILE  23           HA       ILE  23   2.228  -6.990  -2.821
  183    HB   ILE  23           HB       ILE  23   0.110  -6.372  -1.807
  184   HG12  ILE  23          HG12      ILE  23  -0.276  -4.638  -4.273
  185   HG13  ILE  23          HG13      ILE  23  -1.216  -6.064  -3.847
  186   HG21  ILE  23          HG21      ILE  23   0.548  -3.979  -1.388
  187   HG22  ILE  23          HG22      ILE  23   2.030  -4.935  -1.341
  188   HG23  ILE  23          HG23      ILE  23   1.662  -3.946  -2.754
  189   HD11  ILE  23          HD11      ILE  23  -2.068  -4.919  -1.877
  190   HD12  ILE  23          HD12      ILE  23  -1.113  -3.494  -2.286
  191   HD13  ILE  23          HD13      ILE  23  -2.419  -4.015  -3.351
  192    H    ILE  24           H        ILE  24  -0.502  -7.913  -2.466
  193    HA   ILE  24           HA       ILE  24  -0.901  -9.485  -4.904
  194    HB   ILE  24           HB       ILE  24  -1.152 -10.638  -2.120
  195   HG12  ILE  24          HG12      ILE  24   0.946 -11.146  -4.249
  196   HG13  ILE  24          HG13      ILE  24   1.209 -10.239  -2.764
  197   HG21  ILE  24          HG21      ILE  24  -1.394 -11.901  -4.852
  198   HG22  ILE  24          HG22      ILE  24  -1.433 -12.772  -3.318
  199   HG23  ILE  24          HG23      ILE  24  -2.708 -11.619  -3.709
  200   HD11  ILE  24          HD11      ILE  24   0.790 -12.242  -1.453
  201   HD12  ILE  24          HD12      ILE  24   0.482 -13.155  -2.931
  202   HD13  ILE  24          HD13      ILE  24   2.091 -12.503  -2.616
  203    H    GLN  25           H        GLN  25  -2.394  -9.289  -1.759
  204    HA   GLN  25           HA       GLN  25  -4.788  -8.014  -2.511
  205    HB2  GLN  25           HB2      GLN  25  -6.223 -10.040  -2.230
  206    HB3  GLN  25           HB3      GLN  25  -5.256 -10.092  -3.689
  207    HG2  GLN  25           HG2      GLN  25  -4.902 -12.207  -3.016
  208    HG3  GLN  25           HG3      GLN  25  -3.634 -11.451  -2.056
  209   HE21  GLN  25          HE21      GLN  25  -3.935 -11.188   0.148
  210   HE22  GLN  25          HE22      GLN  25  -5.155 -12.016   1.012
  211    H    ALA  26           H        ALA  26  -5.216  -7.177  -0.323
  212    HA   ALA  26           HA       ALA  26  -6.654  -9.124   0.817
  213    HB1  ALA  26           HB1      ALA  26  -5.850  -9.500   3.032
  214    HB2  ALA  26           HB2      ALA  26  -4.630 -10.009   1.864
  215    HB3  ALA  26           HB3      ALA  26  -4.438  -8.487   2.733
  216    H    ALA  27           H        ALA  27  -8.399  -7.614   1.537
  217    HA   ALA  27           HA       ALA  27  -7.987  -7.735   4.022
  218    HB1  ALA  27           HB1      ALA  27  -7.882  -5.509   4.945
  219    HB2  ALA  27           HB2      ALA  27  -6.551  -5.733   3.810
  220    HB3  ALA  27           HB3      ALA  27  -7.980  -4.822   3.323
  221    H    GLU  28           H        GLU  28 -10.636  -8.580   3.808
  222    HA   GLU  28           HA       GLU  28 -12.247  -7.814   5.262
  223    HB2  GLU  28           HB2      GLU  28  -9.580  -7.712   6.547
  224    HB3  GLU  28           HB3      GLU  28 -11.023  -7.328   7.487
  225    HG2  GLU  28           HG2      GLU  28 -10.471  -9.890   6.003
  226    HG3  GLU  28           HG3      GLU  28 -10.440  -9.656   7.751
  227    H    LEU  29           H        LEU  29 -12.061  -5.482   3.593
  228    HA   LEU  29           HA       LEU  29 -11.530  -3.341   5.540
  229    HB2  LEU  29           HB2      LEU  29 -12.032  -2.828   2.617
  230    HB3  LEU  29           HB3      LEU  29 -11.150  -1.853   3.785
  231    HG   LEU  29           HG       LEU  29  -9.965  -4.489   3.329
  232   HD11  LEU  29          HD11      LEU  29  -9.910  -2.457   1.095
  233   HD12  LEU  29          HD12      LEU  29  -9.005  -3.979   1.161
  234   HD13  LEU  29          HD13      LEU  29 -10.772  -3.995   1.047
  235   HD21  LEU  29          HD21      LEU  29  -7.935  -3.320   3.275
  236   HD22  LEU  29          HD22      LEU  29  -8.757  -1.758   3.094
  237   HD23  LEU  29          HD23      LEU  29  -8.910  -2.668   4.599
  238    HA   PRO  30           HA       PRO  30 -15.746  -2.221   6.069
  239    HB2  PRO  30           HB2      PRO  30 -14.987   0.622   5.811
  240    HB3  PRO  30           HB3      PRO  30 -15.703  -0.228   7.184
  241    HG2  PRO  30           HG2      PRO  30 -13.150   0.578   7.214
  242    HG3  PRO  30           HG3      PRO  30 -13.655  -0.939   7.982
  243    HD2  PRO  30           HD2      PRO  30 -12.293  -0.506   5.352
  244    HD3  PRO  30           HD3      PRO  30 -12.012  -1.764   6.574
  245    H    ALA  31           H        ALA  31 -17.468  -1.873   4.836
  246    HA   ALA  31           HA       ALA  31 -17.149  -1.416   2.039
  247    HB1  ALA  31           HB1      ALA  31 -18.732  -3.022   3.009
  248    HB2  ALA  31           HB2      ALA  31 -19.660  -1.678   3.675
  249    HB3  ALA  31           HB3      ALA  31 -19.515  -1.870   1.929
  250    H    LEU  32           H        LEU  32 -17.080   0.511   1.052
  251    HA   LEU  32           HA       LEU  32 -18.706   2.735   2.124
  252    HB2  LEU  32           HB2      LEU  32 -16.273   2.592   0.424
  253    HB3  LEU  32           HB3      LEU  32 -17.417   3.893   0.132
  254    HG   LEU  32           HG       LEU  32 -15.409   4.349   1.670
  255   HD11  LEU  32          HD11      LEU  32 -16.831   5.717   3.216
  256   HD12  LEU  32          HD12      LEU  32 -17.156   5.947   1.495
  257   HD13  LEU  32          HD13      LEU  32 -18.242   4.956   2.476
  258   HD21  LEU  32          HD21      LEU  32 -17.147   2.713   3.513
  259   HD22  LEU  32          HD22      LEU  32 -15.503   2.340   2.996
  260   HD23  LEU  32          HD23      LEU  32 -15.803   3.733   4.041
  261    H    ASP  33           H        ASP  33 -19.918   0.563   0.689
  262    HA   ASP  33           HA       ASP  33 -20.844   2.076  -1.631
  263    HB2  ASP  33           HB2      ASP  33 -19.161   0.644  -2.559
  264    HB3  ASP  33           HB3      ASP  33 -19.772  -0.747  -1.672
  265    H    MET  34           H        MET  34 -22.804   1.512  -2.393
  266    HA   MET  34           HA       MET  34 -24.628   0.602  -0.360
  267    HB2  MET  34           HB2      MET  34 -25.069   2.528  -1.927
  268    HB3  MET  34           HB3      MET  34 -25.283   1.351  -3.214
  269    HG2  MET  34           HG2      MET  34 -27.413   2.112  -2.275
  270    HG3  MET  34           HG3      MET  34 -27.170   0.379  -2.064
  271    HE1  MET  34           HE1      MET  34 -26.981   3.898  -0.279
  272    HE2  MET  34           HE2      MET  34 -26.507   3.416   1.351
  273    HE3  MET  34           HE3      MET  34 -25.389   3.192   0.005
  274    H    GLY  35           H        GLY  35 -23.277  -1.437  -0.584
  275    HA2  GLY  35           HA3      GLY  35 -25.078  -3.483  -1.401
  276    HA3  GLY  35           HA2      GLY  35 -23.651  -3.434  -2.436
  277    H    GLY  36           H        GLY  36 -23.277  -2.296   0.726
  278    HA2  GLY  36           HA3      GLY  36 -21.936  -2.929   2.454
  279    HA3  GLY  36           HA2      GLY  36 -22.673  -4.516   2.251
  280    H    THR  37           H        THR  37 -20.625  -2.746   0.018
  281    HA   THR  37           HA       THR  37 -18.362  -4.445   0.668
  282    HB   THR  37           HB       THR  37 -17.840  -4.764  -1.763
  283    HG1  THR  37           HG1      THR  37 -19.534  -3.065  -2.201
  284   HG21  THR  37          HG21      THR  37 -19.402  -6.609  -2.153
  285   HG22  THR  37          HG22      THR  37 -20.441  -6.011  -0.860
  286   HG23  THR  37          HG23      THR  37 -18.824  -6.611  -0.487
  287    H    SER  38           H        SER  38 -16.422  -3.502  -0.618
  288    HA   SER  38           HA       SER  38 -16.688  -0.605  -0.874
  289    HB2  SER  38           HB2      SER  38 -14.447  -0.444   0.168
  290    HB3  SER  38           HB3      SER  38 -15.620  -1.189   1.255
  291    HG   SER  38           HG       SER  38 -13.316  -2.178   0.335
  292    H    ASP  39           H        ASP  39 -14.801   0.306  -2.131
  293    HA   ASP  39           HA       ASP  39 -13.900  -1.538  -4.226
  294    HB2  ASP  39           HB2      ASP  39 -14.550   1.418  -4.432
  295    HB3  ASP  39           HB3      ASP  39 -13.717   0.514  -5.689
  296    HA   PRO  40           HA       PRO  40 -10.434  -0.338  -1.329
  297    HB2  PRO  40           HB2      PRO  40  -9.261  -2.646  -2.723
  298    HB3  PRO  40           HB3      PRO  40  -9.417  -2.329  -0.996
  299    HG2  PRO  40           HG2      PRO  40 -10.993  -4.068  -2.514
  300    HG3  PRO  40           HG3      PRO  40 -11.346  -3.507  -0.875
  301    HD2  PRO  40           HD2      PRO  40 -12.714  -2.905  -3.296
  302    HD3  PRO  40           HD3      PRO  40 -13.066  -2.340  -1.653
  303    H    TYR  41           H        TYR  41  -8.561   0.702  -1.712
  304    HA   TYR  41           HA       TYR  41  -7.281   0.737  -4.290
  305    HB2  TYR  41           HB2      TYR  41  -8.994   2.439  -4.617
  306    HB3  TYR  41           HB3      TYR  41  -8.730   3.067  -3.015
  307    HD1  TYR  41           HD2      TYR  41  -6.707   4.421  -2.511
  308    HD2  TYR  41           HD1      TYR  41  -7.667   3.136  -6.442
  309    HE1  TYR  41           HE2      TYR  41  -5.143   6.075  -3.434
  310    HE2  TYR  41           HE1      TYR  41  -6.124   4.769  -7.376
  311    HH   TYR  41           HH       TYR  41  -3.809   6.388  -5.509
  312    H    VAL  42           H        VAL  42  -5.118   0.858  -3.789
  313    HA   VAL  42           HA       VAL  42  -4.445   1.872  -1.141
  314    HB   VAL  42           HB       VAL  42  -2.184   0.811  -1.514
  315   HG11  VAL  42          HG11      VAL  42  -2.986  -1.416  -0.811
  316   HG12  VAL  42          HG12      VAL  42  -3.804  -0.101   0.032
  317   HG13  VAL  42          HG13      VAL  42  -4.621  -0.950  -1.281
  318   HG21  VAL  42          HG21      VAL  42  -3.660  -0.684  -3.667
  319   HG22  VAL  42          HG22      VAL  42  -2.281   0.392  -3.894
  320   HG23  VAL  42          HG23      VAL  42  -2.082  -1.121  -3.011
  321    H    LYS  43           H        LYS  43  -3.932   3.902  -1.140
  322    HA   LYS  43           HA       LYS  43  -2.276   4.947  -3.313
  323    HB2  LYS  43           HB2      LYS  43  -2.416   7.100  -1.874
  324    HB3  LYS  43           HB3      LYS  43  -3.830   6.601  -2.786
  325    HG2  LYS  43           HG2      LYS  43  -4.878   5.745  -0.810
  326    HG3  LYS  43           HG3      LYS  43  -3.404   6.012   0.132
  327    HD2  LYS  43           HD2      LYS  43  -5.085   7.777   0.518
  328    HD3  LYS  43           HD3      LYS  43  -3.596   8.415  -0.181
  329    HE2  LYS  43           HE2      LYS  43  -4.688   8.320  -2.419
  330    HE3  LYS  43           HE3      LYS  43  -6.185   7.849  -1.617
  331    HZ1  LYS  43           HZ1      LYS  43  -4.710  10.396  -1.182
  332    HZ2  LYS  43           HZ2      LYS  43  -6.148   9.941  -0.402
  333    HZ3  LYS  43           HZ3      LYS  43  -6.143  10.212  -2.077
  334    H    VAL  44           H        VAL  44  -0.220   4.438  -3.153
  335    HA   VAL  44           HA       VAL  44   0.834   3.913  -0.448
  336    HB   VAL  44           HB       VAL  44   1.993   2.900  -3.047
  337   HG11  VAL  44          HG11      VAL  44   3.116   1.275  -1.577
  338   HG12  VAL  44          HG12      VAL  44   3.546   2.940  -1.186
  339   HG13  VAL  44          HG13      VAL  44   2.395   2.067  -0.176
  340   HG21  VAL  44          HG21      VAL  44   0.099   1.474  -1.182
  341   HG22  VAL  44          HG22      VAL  44  -0.275   2.035  -2.813
  342   HG23  VAL  44          HG23      VAL  44   0.918   0.758  -2.570
  343    H    PHE  45           H        PHE  45   2.232   5.379   0.316
  344    HA   PHE  45           HA       PHE  45   4.004   6.637  -1.625
  345    HB2  PHE  45           HB2      PHE  45   3.498   8.885  -0.698
  346    HB3  PHE  45           HB3      PHE  45   2.166   8.157  -1.578
  347    HD1  PHE  45           HD2      PHE  45   0.343   7.003  -0.176
  348    HD2  PHE  45           HD1      PHE  45   3.170   9.752   1.422
  349    HE1  PHE  45           HE2      PHE  45  -1.127   7.385   1.760
  350    HE2  PHE  45           HE1      PHE  45   1.710  10.132   3.363
  351    HZ   PHE  45           HZ       PHE  45  -0.500   9.079   3.462
  352    H    LEU  46           H        LEU  46   5.330   8.309  -0.354
  353    HA   LEU  46           HA       LEU  46   6.385   7.050   2.066
  354    HB2  LEU  46           HB2      LEU  46   7.798   8.655  -0.066
  355    HB3  LEU  46           HB3      LEU  46   8.506   8.224   1.478
  356    HG   LEU  46           HG       LEU  46   7.737   6.281  -0.729
  357   HD11  LEU  46          HD11      LEU  46  10.139   5.915  -0.811
  358   HD12  LEU  46          HD12      LEU  46   9.729   7.593  -1.169
  359   HD13  LEU  46          HD13      LEU  46  10.381   7.163   0.412
  360   HD21  LEU  46          HD21      LEU  46   8.976   5.785   1.987
  361   HD22  LEU  46          HD22      LEU  46   7.340   5.331   1.508
  362   HD23  LEU  46          HD23      LEU  46   8.730   4.587   0.716
  363    H    LEU  47           H        LEU  47   7.201   8.590   3.709
  364    HA   LEU  47           HA       LEU  47   5.572  10.966   3.798
  365    HB2  LEU  47           HB2      LEU  47   6.709  11.413   5.964
  366    HB3  LEU  47           HB3      LEU  47   5.941   9.847   5.888
  367    HG   LEU  47           HG       LEU  47   8.152   8.781   5.607
  368   HD11  LEU  47          HD11      LEU  47  10.196  10.058   6.002
  369   HD12  LEU  47          HD12      LEU  47   9.377  10.618   4.544
  370   HD13  LEU  47          HD13      LEU  47   9.264  11.556   6.033
  371   HD21  LEU  47          HD21      LEU  47   8.932   9.200   7.886
  372   HD22  LEU  47          HD22      LEU  47   7.916  10.640   7.964
  373   HD23  LEU  47          HD23      LEU  47   7.177   9.046   7.813
  374    HA   PRO  48           HA       PRO  48   7.186  14.785   2.822
  375    HB2  PRO  48           HB2      PRO  48   9.780  14.230   4.212
  376    HB3  PRO  48           HB3      PRO  48   8.953  15.778   3.970
  377    HG2  PRO  48           HG2      PRO  48   8.600  14.120   6.182
  378    HG3  PRO  48           HG3      PRO  48   7.477  15.388   5.663
  379    HD2  PRO  48           HD2      PRO  48   6.917  12.635   5.745
  380    HD3  PRO  48           HD3      PRO  48   5.975  13.857   4.862
  381    H    ASP  49           H        ASP  49   9.638  12.250   2.242
  382    HA   ASP  49           HA       ASP  49  10.753  13.536  -0.030
  383    HB2  ASP  49           HB2      ASP  49  12.091  11.859   0.866
  384    HB3  ASP  49           HB3      ASP  49  10.735  10.766   1.105
  385    H    LYS  50           H        LYS  50   8.802  10.488  -0.129
  386    HA   LYS  50           HA       LYS  50   6.924   9.958  -1.150
  387    HB2  LYS  50           HB2      LYS  50   6.389  12.385  -0.237
  388    HB3  LYS  50           HB3      LYS  50   6.438  12.808  -1.944
  389    HG2  LYS  50           HG2      LYS  50   4.534  11.006  -0.498
  390    HG3  LYS  50           HG3      LYS  50   4.200  12.363  -1.591
  391    HD2  LYS  50           HD2      LYS  50   5.255  11.025  -3.408
  392    HD3  LYS  50           HD3      LYS  50   5.319   9.670  -2.265
  393    HE2  LYS  50           HE2      LYS  50   3.347   9.514  -3.738
  394    HE3  LYS  50           HE3      LYS  50   2.844   9.801  -2.071
  395    HZ1  LYS  50           HZ1      LYS  50   1.682  11.176  -3.797
  396    HZ2  LYS  50           HZ2      LYS  50   3.147  11.984  -4.056
  397    HZ3  LYS  50           HZ3      LYS  50   2.397  12.059  -2.540
  398    H    LYS  51           H        LYS  51   9.169   9.474  -2.472
  399    HA   LYS  51           HA       LYS  51   8.822  10.536  -5.175
  400    HB2  LYS  51           HB2      LYS  51  10.798   8.886  -3.720
  401    HB3  LYS  51           HB3      LYS  51  10.714   8.694  -5.472
  402    HG2  LYS  51           HG2      LYS  51  11.058  11.351  -4.110
  403    HG3  LYS  51           HG3      LYS  51  12.412  10.335  -4.607
  404    HD2  LYS  51           HD2      LYS  51  10.262  11.384  -6.442
  405    HD3  LYS  51           HD3      LYS  51  11.872  12.085  -6.263
  406    HE2  LYS  51           HE2      LYS  51  11.156   9.356  -7.327
  407    HE3  LYS  51           HE3      LYS  51  11.877  10.697  -8.213
  408    HZ1  LYS  51           HZ1      LYS  51  13.772  10.460  -6.510
  409    HZ2  LYS  51           HZ2      LYS  51  13.671   9.329  -7.767
  410    HZ3  LYS  51           HZ3      LYS  51  13.127   8.919  -6.218
  411    H    LYS  52           H        LYS  52   6.741   8.837  -3.856
  412    HA   LYS  52           HA       LYS  52   6.474   6.980  -6.080
  413    HB2  LYS  52           HB2      LYS  52   5.633   5.208  -4.506
  414    HB3  LYS  52           HB3      LYS  52   7.363   5.525  -4.455
  415    HG2  LYS  52           HG2      LYS  52   7.158   6.717  -2.407
  416    HG3  LYS  52           HG3      LYS  52   5.394   6.695  -2.509
  417    HD2  LYS  52           HD2      LYS  52   6.164   5.015  -0.933
  418    HD3  LYS  52           HD3      LYS  52   5.438   4.240  -2.342
  419    HE2  LYS  52           HE2      LYS  52   7.694   3.905  -3.277
  420    HE3  LYS  52           HE3      LYS  52   8.386   4.601  -1.800
  421    HZ1  LYS  52           HZ1      LYS  52   7.359   2.810  -0.535
  422    HZ2  LYS  52           HZ2      LYS  52   8.358   2.172  -1.742
  423    HZ3  LYS  52           HZ3      LYS  52   6.680   2.164  -1.943
  424    H    LYS  53           H        LYS  53   4.752   8.369  -6.913
  425    HA   LYS  53           HA       LYS  53   2.342   8.290  -5.328
  426    HB2  LYS  53           HB2      LYS  53   2.538  10.198  -6.797
  427    HB3  LYS  53           HB3      LYS  53   2.803   9.149  -8.192
  428    HG2  LYS  53           HG2      LYS  53   0.580   8.140  -7.703
  429    HG3  LYS  53           HG3      LYS  53   0.295   9.453  -6.565
  430    HD2  LYS  53           HD2      LYS  53  -0.740  10.117  -8.584
  431    HD3  LYS  53           HD3      LYS  53   0.774  11.022  -8.514
  432    HE2  LYS  53           HE2      LYS  53   1.817   9.552 -10.071
  433    HE3  LYS  53           HE3      LYS  53   0.474   8.414  -9.991
  434    HZ1  LYS  53           HZ1      LYS  53   0.363  11.165 -11.115
  435    HZ2  LYS  53           HZ2      LYS  53  -0.950  10.096 -11.001
  436    HZ3  LYS  53           HZ3      LYS  53   0.364   9.720 -12.002
  437    H    PHE  54           H        PHE  54   1.664   6.189  -5.024
  438    HA   PHE  54           HA       PHE  54   1.392   4.601  -7.466
  439    HB2  PHE  54           HB2      PHE  54   2.563   3.489  -5.580
  440    HB3  PHE  54           HB3      PHE  54   1.094   3.642  -4.615
  441    HD1  PHE  54           HD1      PHE  54   2.072   2.456  -8.008
  442    HD2  PHE  54           HD2      PHE  54  -0.244   1.779  -4.507
  443    HE1  PHE  54           HE1      PHE  54   1.202   0.378  -8.992
  444    HE2  PHE  54           HE2      PHE  54  -1.114  -0.304  -5.480
  445    HZ   PHE  54           HZ       PHE  54  -0.393  -1.003  -7.728
  446    H    GLU  55           H        GLU  55  -0.606   3.431  -7.803
  447    HA   GLU  55           HA       GLU  55  -3.000   4.554  -6.628
  448    HB2  GLU  55           HB2      GLU  55  -2.424   6.295  -8.223
  449    HB3  GLU  55           HB3      GLU  55  -2.212   5.104  -9.497
  450    HG2  GLU  55           HG2      GLU  55  -4.623   4.553  -9.322
  451    HG3  GLU  55           HG3      GLU  55  -4.787   5.855  -8.142
  452    H    THR  56           H        THR  56  -3.989   2.647  -6.259
  453    HA   THR  56           HA       THR  56  -3.849   0.364  -7.880
  454    HB   THR  56           HB       THR  56  -6.176   1.140  -6.168
  455    HG1  THR  56           HG1      THR  56  -4.530  -0.005  -4.623
  456   HG21  THR  56          HG21      THR  56  -6.328  -1.025  -7.271
  457   HG22  THR  56          HG22      THR  56  -6.141  -1.213  -5.526
  458   HG23  THR  56          HG23      THR  56  -4.766  -1.482  -6.594
  459    H    LYS  57           H        LYS  57  -5.168  -0.464  -9.390
  460    HA   LYS  57           HA       LYS  57  -7.258   1.027 -10.666
  461    HB2  LYS  57           HB2      LYS  57  -6.068  -0.796 -11.817
  462    HB3  LYS  57           HB3      LYS  57  -6.658  -1.946 -10.631
  463    HG2  LYS  57           HG2      LYS  57  -8.863  -1.806 -11.431
  464    HG3  LYS  57           HG3      LYS  57  -8.515  -0.351 -12.366
  465    HD2  LYS  57           HD2      LYS  57  -8.693  -2.431 -13.736
  466    HD3  LYS  57           HD3      LYS  57  -7.156  -1.582 -13.906
  467    HE2  LYS  57           HE2      LYS  57  -6.181  -3.149 -12.240
  468    HE3  LYS  57           HE3      LYS  57  -7.703  -4.040 -12.250
  469    HZ1  LYS  57           HZ1      LYS  57  -5.841  -4.875 -13.739
  470    HZ2  LYS  57           HZ2      LYS  57  -6.181  -3.545 -14.736
  471    HZ3  LYS  57           HZ3      LYS  57  -7.375  -4.712 -14.444
  472    H    VAL  58           H        VAL  58  -9.490   0.995 -10.131
  473    HA   VAL  58           HA       VAL  58  -9.890   0.466  -7.351
  474    HB   VAL  58           HB       VAL  58 -12.256   1.233  -7.765
  475   HG11  VAL  58          HG11      VAL  58 -11.603   3.571  -8.146
  476   HG12  VAL  58          HG12      VAL  58 -10.523   2.758  -7.014
  477   HG13  VAL  58          HG13      VAL  58 -10.012   3.030  -8.680
  478   HG21  VAL  58          HG21      VAL  58 -12.480   0.578 -10.094
  479   HG22  VAL  58          HG22      VAL  58 -12.726   2.316  -9.922
  480   HG23  VAL  58          HG23      VAL  58 -11.199   1.703 -10.555
  481    H    HIS  59           H        HIS  59 -10.791  -1.159  -6.346
  482    HA   HIS  59           HA       HIS  59 -11.456  -3.512  -7.970
  483    HB2  HIS  59           HB2      HIS  59 -10.493  -3.215  -5.114
  484    HB3  HIS  59           HB3      HIS  59 -10.917  -4.760  -5.864
  485    HD1  HIS  59           HD1      HIS  59  -9.436  -5.411  -8.042
  486    HD2  HIS  59           HD2      HIS  59  -7.885  -2.458  -5.571
  487    HE1  HIS  59           HE1      HIS  59  -7.030  -5.175  -8.714
  488    HE2  HIS  59           HE2      HIS  59  -6.139  -3.271  -7.320
  489    H    ARG  60           H        ARG  60 -13.602  -3.231  -8.306
  490    HA   ARG  60           HA       ARG  60 -15.280  -2.078  -6.354
  491    HB2  ARG  60           HB2      ARG  60 -17.107  -2.893  -8.053
  492    HB3  ARG  60           HB3      ARG  60 -16.043  -1.547  -8.432
  493    HG2  ARG  60           HG2      ARG  60 -16.179  -2.911 -10.364
  494    HG3  ARG  60           HG3      ARG  60 -14.586  -3.153  -9.652
  495    HD2  ARG  60           HD2      ARG  60 -15.303  -5.238  -8.664
  496    HD3  ARG  60           HD3      ARG  60 -16.940  -4.988  -9.269
  497    HE   ARG  60           HE       ARG  60 -15.184  -4.922 -11.449
  498   HH11  ARG  60          HH12      ARG  60 -16.336  -7.220  -9.052
  499   HH12  ARG  60          HH11      ARG  60 -16.195  -8.586 -10.114
  500   HH21  ARG  60          HH22      ARG  60 -14.989  -6.713 -12.834
  501   HH22  ARG  60          HH21      ARG  60 -15.453  -8.293 -12.280
  502    H    LYS  61           H        LYS  61 -16.130  -2.942  -4.713
  503    HA   LYS  61           HA       LYS  61 -17.776  -4.013  -3.617
  504    HB2  LYS  61           HB2      LYS  61 -18.194  -5.887  -5.932
  505    HB3  LYS  61           HB3      LYS  61 -19.353  -5.367  -4.720
  506    HG2  LYS  61           HG2      LYS  61 -18.306  -3.841  -7.081
  507    HG3  LYS  61           HG3      LYS  61 -19.972  -4.265  -6.696
  508    HD2  LYS  61           HD2      LYS  61 -20.116  -2.641  -5.014
  509    HD3  LYS  61           HD3      LYS  61 -18.362  -2.459  -4.921
  510    HE2  LYS  61           HE2      LYS  61 -18.485  -1.628  -7.324
  511    HE3  LYS  61           HE3      LYS  61 -20.226  -1.512  -7.078
  512    HZ1  LYS  61           HZ1      LYS  61 -18.198  -0.147  -5.398
  513    HZ2  LYS  61           HZ2      LYS  61 -19.880   0.050  -5.311
  514    HZ3  LYS  61           HZ3      LYS  61 -19.031   0.581  -6.673
  515    H    THR  62           H        THR  62 -15.411  -4.656  -2.780
  516    HA   THR  62           HA       THR  62 -15.788  -7.371  -1.972
  517    HB   THR  62           HB       THR  62 -13.774  -8.285  -2.618
  518    HG1  THR  62           HG1      THR  62 -12.874  -5.635  -2.830
  519   HG21  THR  62          HG21      THR  62 -13.362  -7.974  -4.979
  520   HG22  THR  62          HG22      THR  62 -14.236  -6.443  -4.943
  521   HG23  THR  62          HG23      THR  62 -15.098  -7.956  -4.663
  522    H    LEU  63           H        LEU  63 -15.528  -7.238   0.137
  523    HA   LEU  63           HA       LEU  63 -13.896  -5.149   1.313
  524    HB2  LEU  63           HB2      LEU  63 -15.317  -7.292   2.833
  525    HB3  LEU  63           HB3      LEU  63 -14.658  -5.812   3.432
  526    HG   LEU  63           HG       LEU  63 -16.970  -5.588   3.484
  527   HD11  LEU  63          HD11      LEU  63 -17.378  -3.796   1.836
  528   HD12  LEU  63          HD12      LEU  63 -15.864  -3.619   2.725
  529   HD13  LEU  63          HD13      LEU  63 -15.847  -4.216   1.068
  530   HD21  LEU  63          HD21      LEU  63 -18.440  -6.321   1.871
  531   HD22  LEU  63          HD22      LEU  63 -17.224  -6.254   0.592
  532   HD23  LEU  63          HD23      LEU  63 -17.150  -7.532   1.807
  533    H    ASN  64           H        ASN  64 -13.004  -7.896   0.001
  534    HA   ASN  64           HA       ASN  64 -10.739  -8.187   1.692
  535    HB2  ASN  64           HB2      ASN  64 -12.535  -9.947   2.400
  536    HB3  ASN  64           HB3      ASN  64 -12.142 -10.728   0.872
  537   HD21  ASN  64          HD21      ASN  64  -9.335 -10.118   0.886
  538   HD22  ASN  64          HD22      ASN  64  -8.616 -11.087   2.125
  539    HA   PRO  65           HA       PRO  65 -10.567  -8.073  -2.843
  540    HB2  PRO  65           HB2      PRO  65  -9.162  -5.861  -3.154
  541    HB3  PRO  65           HB3      PRO  65 -10.818  -5.784  -2.532
  542    HG2  PRO  65           HG2      PRO  65  -8.230  -5.637  -1.036
  543    HG3  PRO  65           HG3      PRO  65  -9.700  -4.681  -0.824
  544    HD2  PRO  65           HD2      PRO  65  -9.022  -6.872   0.691
  545    HD3  PRO  65           HD3      PRO  65 -10.661  -6.218   0.510
  546    H    VAL  66           H        VAL  66  -9.027  -8.148  -4.438
  547    HA   VAL  66           HA       VAL  66  -6.303  -8.481  -3.510
  548    HB   VAL  66           HB       VAL  66  -5.815 -10.258  -4.687
  549   HG11  VAL  66          HG11      VAL  66  -8.826 -10.591  -4.655
  550   HG12  VAL  66          HG12      VAL  66  -7.675 -11.898  -4.931
  551   HG13  VAL  66          HG13      VAL  66  -7.687 -11.045  -3.388
  552   HG21  VAL  66          HG21      VAL  66  -6.712 -10.901  -6.910
  553   HG22  VAL  66          HG22      VAL  66  -7.809  -9.521  -6.854
  554   HG23  VAL  66          HG23      VAL  66  -6.064  -9.260  -6.891
  555    H    PHE  67           H        PHE  67  -5.140  -7.074  -4.106
  556    HA   PHE  67           HA       PHE  67  -6.055  -5.059  -5.906
  557    HB2  PHE  67           HB2      PHE  67  -3.597  -5.415  -4.215
  558    HB3  PHE  67           HB3      PHE  67  -3.909  -3.969  -5.168
  559    HD1  PHE  67           HD2      PHE  67  -5.692  -2.433  -4.524
  560    HD2  PHE  67           HD1      PHE  67  -4.773  -5.864  -2.181
  561    HE1  PHE  67           HE2      PHE  67  -6.984  -1.495  -2.651
  562    HE2  PHE  67           HE1      PHE  67  -6.064  -4.936  -0.308
  563    HZ   PHE  67           HZ       PHE  67  -7.115  -2.733  -0.509
  564    H    ASN  68           H        ASN  68  -3.397  -7.392  -5.706
  565    HA   ASN  68           HA       ASN  68  -1.699  -7.903  -7.124
  566    HB2  ASN  68           HB2      ASN  68  -3.921  -7.413  -9.134
  567    HB3  ASN  68           HB3      ASN  68  -2.330  -8.007  -9.592
  568   HD21  ASN  68          HD21      ASN  68  -1.894  -9.734  -7.404
  569   HD22  ASN  68          HD22      ASN  68  -3.021 -11.053  -7.520
  570    H    GLU  69           H        GLU  69  -0.658  -5.981  -6.403
  571    HA   GLU  69           HA       GLU  69  -1.112  -3.655  -8.128
  572    HB2  GLU  69           HB2      GLU  69  -0.968  -3.702  -5.141
  573    HB3  GLU  69           HB3      GLU  69  -0.486  -2.270  -6.031
  574    HG2  GLU  69           HG2      GLU  69  -3.177  -3.466  -5.673
  575    HG3  GLU  69           HG3      GLU  69  -2.656  -1.792  -5.531
  576    H    GLN  70           H        GLN  70   0.419  -2.584  -8.726
  577    HA   GLN  70           HA       GLN  70   2.825  -3.942  -9.134
  578    HB2  GLN  70           HB2      GLN  70   1.301  -2.294 -10.527
  579    HB3  GLN  70           HB3      GLN  70   2.458  -1.122  -9.950
  580    HG2  GLN  70           HG2      GLN  70   3.544  -3.583 -11.173
  581    HG3  GLN  70           HG3      GLN  70   2.757  -2.435 -12.251
  582   HE21  GLN  70          HE21      GLN  70   4.476  -1.486  -9.339
  583   HE22  GLN  70          HE22      GLN  70   5.820  -0.724 -10.161
  584    H    PHE  71           H        PHE  71   4.850  -3.314  -8.670
  585    HA   PHE  71           HA       PHE  71   4.987  -2.386  -6.011
  586    HB2  PHE  71           HB2      PHE  71   7.559  -2.888  -6.867
  587    HB3  PHE  71           HB3      PHE  71   6.475  -4.076  -6.159
  588    HD1  PHE  71           HD1      PHE  71   7.531  -2.635  -9.411
  589    HD2  PHE  71           HD2      PHE  71   5.871  -5.984  -7.380
  590    HE1  PHE  71           HE1      PHE  71   7.654  -3.951 -11.487
  591    HE2  PHE  71           HE2      PHE  71   5.994  -7.304  -9.450
  592    HZ   PHE  71           HZ       PHE  71   6.886  -6.346 -11.468
  593    H    THR  72           H        THR  72   4.655  -0.353  -5.987
  594    HA   THR  72           HA       THR  72   5.683   1.696  -7.450
  595    HB   THR  72           HB       THR  72   3.814   2.129  -6.060
  596    HG1  THR  72           HG1      THR  72   6.172   3.472  -5.492
  597   HG21  THR  72          HG21      THR  72   4.244   0.436  -4.343
  598   HG22  THR  72          HG22      THR  72   3.875   2.004  -3.623
  599   HG23  THR  72          HG23      THR  72   5.542   1.431  -3.687
  600    H    PHE  73           H        PHE  73   7.316   3.268  -6.932
  601    HA   PHE  73           HA       PHE  73   9.627   1.811  -6.165
  602    HB2  PHE  73           HB2      PHE  73  10.832   3.447  -7.639
  603    HB3  PHE  73           HB3      PHE  73   9.651   2.434  -8.454
  604    HD1  PHE  73           HD2      PHE  73   7.353   3.459  -8.942
  605    HD2  PHE  73           HD1      PHE  73  10.764   5.760  -7.846
  606    HE1  PHE  73           HE2      PHE  73   6.308   5.461  -9.912
  607    HE2  PHE  73           HE1      PHE  73   9.723   7.766  -8.820
  608    HZ   PHE  73           HZ       PHE  73   7.493   7.618  -9.854
  609    H    LYS  74           H        LYS  74  10.567   2.163  -4.671
  610    HA   LYS  74           HA       LYS  74  10.774   4.347  -2.948
  611    HB2  LYS  74           HB2      LYS  74  11.474   1.556  -2.844
  612    HB3  LYS  74           HB3      LYS  74  12.716   2.592  -2.146
  613    HG2  LYS  74           HG2      LYS  74   9.797   2.747  -1.429
  614    HG3  LYS  74           HG3      LYS  74  11.000   1.819  -0.523
  615    HD2  LYS  74           HD2      LYS  74  11.093   4.790  -1.036
  616    HD3  LYS  74           HD3      LYS  74  10.577   4.034   0.470
  617    HE2  LYS  74           HE2      LYS  74  12.769   3.143   0.844
  618    HE3  LYS  74           HE3      LYS  74  13.306   3.660  -0.754
  619    HZ1  LYS  74           HZ1      LYS  74  12.613   5.390   1.555
  620    HZ2  LYS  74           HZ2      LYS  74  12.869   5.984  -0.006
  621    HZ3  LYS  74           HZ3      LYS  74  14.127   5.211   0.816
  622    H    VAL  75           H        VAL  75  13.065   4.599  -2.126
  623    HA   VAL  75           HA       VAL  75  14.343   6.258  -4.132
  624    HB   VAL  75           HB       VAL  75  13.732   7.286  -1.382
  625   HG11  VAL  75          HG11      VAL  75  15.336   8.524  -2.719
  626   HG12  VAL  75          HG12      VAL  75  14.167   8.673  -4.030
  627   HG13  VAL  75          HG13      VAL  75  13.871   9.478  -2.490
  628   HG21  VAL  75          HG21      VAL  75  11.698   8.369  -2.208
  629   HG22  VAL  75          HG22      VAL  75  11.867   7.510  -3.739
  630   HG23  VAL  75          HG23      VAL  75  11.575   6.611  -2.249
  631    HA   PRO  76           HA       PRO  76  17.696   4.031  -3.380
  632    HB2  PRO  76           HB2      PRO  76  18.938   6.552  -2.295
  633    HB3  PRO  76           HB3      PRO  76  19.720   5.249  -3.219
  634    HG2  PRO  76           HG2      PRO  76  18.838   7.242  -4.617
  635    HG3  PRO  76           HG3      PRO  76  18.303   5.604  -5.109
  636    HD2  PRO  76           HD2      PRO  76  16.793   7.711  -3.597
  637    HD3  PRO  76           HD3      PRO  76  16.219   6.614  -4.873
  638    H    TYR  77           H        TYR  77  18.876   2.734  -1.911
  639    HA   TYR  77           HA       TYR  77  17.541   2.456   0.526
  640    HB2  TYR  77           HB2      TYR  77  19.315   0.833   1.154
  641    HB3  TYR  77           HB3      TYR  77  18.559   0.531  -0.409
  642    HD1  TYR  77           HD1      TYR  77  21.639   1.744   1.257
  643    HD2  TYR  77           HD2      TYR  77  19.858   0.510  -2.408
  644    HE1  TYR  77           HE1      TYR  77  23.859   1.699   0.198
  645    HE2  TYR  77           HE2      TYR  77  22.074   0.455  -3.470
  646    HH   TYR  77           HH       TYR  77  24.286   1.552  -3.144
  647    H    SER  78           H        SER  78  20.471   4.190  -0.307
  648    HA   SER  78           HA       SER  78  21.181   5.130   2.241
  649    HB2  SER  78           HB2      SER  78  22.672   5.594   0.463
  650    HB3  SER  78           HB3      SER  78  21.396   6.286  -0.536
  651    HG   SER  78           HG       SER  78  21.693   8.141   0.375
  652    H    GLU  79           H        GLU  79  18.636   6.102   0.015
  653    HA   GLU  79           HA       GLU  79  17.905   8.453   1.536
  654    HB2  GLU  79           HB2      GLU  79  17.255   7.256  -1.127
  655    HB3  GLU  79           HB3      GLU  79  16.017   8.279  -0.376
  656    HG2  GLU  79           HG2      GLU  79  17.673   9.371  -1.976
  657    HG3  GLU  79           HG3      GLU  79  17.381  10.169  -0.432
  658    H    LEU  80           H        LEU  80  17.064   5.170   1.259
  659    HA   LEU  80           HA       LEU  80  14.463   5.101   2.264
  660    HB2  LEU  80           HB2      LEU  80  15.090   3.077   1.435
  661    HB3  LEU  80           HB3      LEU  80  16.739   3.232   1.998
  662    HG   LEU  80           HG       LEU  80  14.629   2.747   4.048
  663   HD11  LEU  80          HD11      LEU  80  14.740   0.336   3.648
  664   HD12  LEU  80          HD12      LEU  80  14.010   1.193   2.291
  665   HD13  LEU  80          HD13      LEU  80  15.678   0.627   2.181
  666   HD21  LEU  80          HD21      LEU  80  16.427   1.320   4.991
  667   HD22  LEU  80          HD22      LEU  80  17.462   1.782   3.641
  668   HD23  LEU  80          HD23      LEU  80  16.913   3.004   4.791
  669    H    GLY  81           H        GLY  81  17.555   5.366   3.889
  670    HA2  GLY  81           HA3      GLY  81  16.989   4.583   6.445
  671    HA3  GLY  81           HA2      GLY  81  18.088   5.893   6.046
  672    H    GLY  82           H        GLY  82  16.476   7.886   5.190
  673    HA2  GLY  82           HA3      GLY  82  15.280   8.839   7.590
  674    HA3  GLY  82           HA2      GLY  82  15.228   9.625   6.024
  675    H    LYS  83           H        LYS  83  13.927   7.279   4.729
  676    HA   LYS  83           HA       LYS  83  11.396   8.629   5.111
  677    HB2  LYS  83           HB2      LYS  83  12.574   6.913   2.938
  678    HB3  LYS  83           HB3      LYS  83  10.882   7.377   2.929
  679    HG2  LYS  83           HG2      LYS  83  12.490   8.763   1.548
  680    HG3  LYS  83           HG3      LYS  83  11.380   9.642   2.591
  681    HD2  LYS  83           HD2      LYS  83  13.195   9.910   4.232
  682    HD3  LYS  83           HD3      LYS  83  14.286   9.039   3.157
  683    HE2  LYS  83           HE2      LYS  83  12.867  11.580   2.382
  684    HE3  LYS  83           HE3      LYS  83  14.472  11.548   3.107
  685    HZ1  LYS  83           HZ1      LYS  83  15.298  10.319   1.243
  686    HZ2  LYS  83           HZ2      LYS  83  14.505  11.703   0.669
  687    HZ3  LYS  83           HZ3      LYS  83  13.749  10.194   0.567
  688    H    THR  84           H        THR  84   9.395   7.578   5.373
  689    HA   THR  84           HA       THR  84   9.578   4.736   6.141
  690    HB   THR  84           HB       THR  84   7.724   4.981   7.614
  691    HG1  THR  84           HG1      THR  84   6.760   6.615   6.052
  692   HG21  THR  84          HG21      THR  84   9.807   5.766   8.599
  693   HG22  THR  84          HG22      THR  84   8.448   6.715   9.205
  694   HG23  THR  84          HG23      THR  84   9.512   7.387   7.968
  695    H    LEU  85           H        LEU  85   8.287   3.335   5.058
  696    HA   LEU  85           HA       LEU  85   6.800   4.479   2.837
  697    HB2  LEU  85           HB2      LEU  85   7.330   2.624   1.737
  698    HB3  LEU  85           HB3      LEU  85   8.275   2.126   3.125
  699    HG   LEU  85           HG       LEU  85   5.406   1.509   3.277
  700   HD11  LEU  85          HD11      LEU  85   7.213   0.095   1.313
  701   HD12  LEU  85          HD12      LEU  85   5.602  -0.440   1.798
  702   HD13  LEU  85          HD13      LEU  85   5.800   1.071   0.908
  703   HD21  LEU  85          HD21      LEU  85   6.995   0.798   4.972
  704   HD22  LEU  85          HD22      LEU  85   6.276  -0.592   4.156
  705   HD23  LEU  85          HD23      LEU  85   7.918  -0.085   3.755
  706    H    VAL  86           H        VAL  86   4.760   4.935   2.982
  707    HA   VAL  86           HA       VAL  86   3.131   3.417   4.884
  708    HB   VAL  86           HB       VAL  86   1.739   5.376   5.279
  709   HG11  VAL  86          HG11      VAL  86   3.357   6.698   6.608
  710   HG12  VAL  86          HG12      VAL  86   3.540   4.957   6.831
  711   HG13  VAL  86          HG13      VAL  86   4.676   5.840   5.810
  712   HG21  VAL  86          HG21      VAL  86   2.443   7.604   4.534
  713   HG22  VAL  86          HG22      VAL  86   3.769   6.882   3.622
  714   HG23  VAL  86          HG23      VAL  86   2.098   6.546   3.166
  715    H    MET  87           H        MET  87   1.218   2.775   4.234
  716    HA   MET  87           HA       MET  87   0.406   3.394   1.479
  717    HB2  MET  87           HB2      MET  87   1.380   1.167   1.489
  718    HB3  MET  87           HB3      MET  87   0.382   0.694   2.861
  719    HG2  MET  87           HG2      MET  87  -1.625   1.029   1.441
  720    HG3  MET  87           HG3      MET  87  -0.558   1.345   0.076
  721    HE1  MET  87           HE1      MET  87   1.233  -2.114  -0.366
  722    HE2  MET  87           HE2      MET  87   1.045  -0.482  -1.009
  723    HE3  MET  87           HE3      MET  87   1.797  -0.727   0.566
  724    H    ALA  88           H        ALA  88  -1.852   3.487   1.145
  725    HA   ALA  88           HA       ALA  88  -3.494   3.452   3.585
  726    HB1  ALA  88           HB1      ALA  88  -3.061   5.770   3.461
  727    HB2  ALA  88           HB2      ALA  88  -3.181   5.780   1.700
  728    HB3  ALA  88           HB3      ALA  88  -4.647   5.570   2.680
  729    H    VAL  89           H        VAL  89  -5.003   1.966   3.116
  730    HA   VAL  89           HA       VAL  89  -6.009   1.731   0.446
  731    HB   VAL  89           HB       VAL  89  -7.318   0.623   2.932
  732   HG11  VAL  89          HG11      VAL  89  -8.712   0.594   0.939
  733   HG12  VAL  89          HG12      VAL  89  -7.413  -0.167   0.019
  734   HG13  VAL  89          HG13      VAL  89  -8.192  -1.045   1.334
  735   HG21  VAL  89          HG21      VAL  89  -6.080  -1.443   2.463
  736   HG22  VAL  89          HG22      VAL  89  -5.190  -0.608   1.190
  737   HG23  VAL  89          HG23      VAL  89  -5.002  -0.108   2.870
  738    H    TYR  90           H        TYR  90  -7.244   3.095  -0.406
  739    HA   TYR  90           HA       TYR  90  -8.961   4.851   1.202
  740    HB2  TYR  90           HB2      TYR  90  -7.035   5.881  -0.068
  741    HB3  TYR  90           HB3      TYR  90  -7.731   5.251  -1.548
  742    HD1  TYR  90           HD1      TYR  90  -9.037   7.215   1.362
  743    HD2  TYR  90           HD2      TYR  90  -8.635   6.884  -2.857
  744    HE1  TYR  90           HE1      TYR  90 -10.250   9.334   1.085
  745    HE2  TYR  90           HE2      TYR  90  -9.852   9.001  -3.147
  746    HH   TYR  90           HH       TYR  90 -10.657  11.043  -0.420
  747    H    ASP  91           H        ASP  91 -11.062   4.690   0.727
  748    HA   ASP  91           HA       ASP  91 -11.767   2.555  -1.122
  749    HB2  ASP  91           HB2      ASP  91 -12.452   2.763   1.414
  750    HB3  ASP  91           HB3      ASP  91 -13.801   3.667   0.710
  751    H    PHE  92           H        PHE  92 -12.584   2.991  -3.022
  752    HA   PHE  92           HA       PHE  92 -13.585   5.655  -3.577
  753    HB2  PHE  92           HB2      PHE  92 -12.170   4.211  -5.182
  754    HB3  PHE  92           HB3      PHE  92 -13.660   3.320  -5.483
  755    HD1  PHE  92           HD2      PHE  92 -12.088   6.659  -5.709
  756    HD2  PHE  92           HD1      PHE  92 -15.312   4.157  -6.904
  757    HE1  PHE  92           HE2      PHE  92 -12.754   8.328  -7.389
  758    HE2  PHE  92           HE1      PHE  92 -15.988   5.820  -8.582
  759    HZ   PHE  92           HZ       PHE  92 -14.690   7.962  -8.782
  760    H    ASP  93           H        ASP  93 -15.566   6.045  -2.750
  761    HA   ASP  93           HA       ASP  93 -17.347   3.784  -2.368
  762    HB2  ASP  93           HB2      ASP  93 -18.649   5.403  -0.973
  763    HB3  ASP  93           HB3      ASP  93 -16.986   5.148  -0.446
  764    H    ARG  94           H        ARG  94 -16.847   5.749  -4.828
  765    HA   ARG  94           HA       ARG  94 -17.956   6.065  -6.772
  766    HB2  ARG  94           HB2      ARG  94 -19.975   4.188  -5.540
  767    HB3  ARG  94           HB3      ARG  94 -19.927   4.655  -7.232
  768    HG2  ARG  94           HG2      ARG  94 -17.672   3.242  -5.830
  769    HG3  ARG  94           HG3      ARG  94 -18.952   2.415  -6.717
  770    HD2  ARG  94           HD2      ARG  94 -17.093   4.479  -7.885
  771    HD3  ARG  94           HD3      ARG  94 -16.896   2.735  -8.051
  772    HE   ARG  94           HE       ARG  94 -19.046   2.736  -9.258
  773   HH11  ARG  94          HH12      ARG  94 -17.212   5.712  -9.027
  774   HH12  ARG  94          HH11      ARG  94 -17.965   6.435 -10.415
  775   HH21  ARG  94          HH22      ARG  94 -20.027   3.683 -11.090
  776   HH22  ARG  94          HH21      ARG  94 -19.544   5.275 -11.596
  777    H    PHE  95           H        PHE  95 -19.075   7.433  -3.980
  778    HA   PHE  95           HA       PHE  95 -21.162   8.896  -5.391
  779    HB2  PHE  95           HB2      PHE  95 -22.237   6.830  -4.479
  780    HB3  PHE  95           HB3      PHE  95 -21.819   7.380  -2.862
  781    HD1  PHE  95           HD1      PHE  95 -23.870   8.101  -5.837
  782    HD2  PHE  95           HD2      PHE  95 -23.084   9.037  -1.761
  783    HE1  PHE  95           HE1      PHE  95 -25.956   9.400  -5.733
  784    HE2  PHE  95           HE2      PHE  95 -25.169  10.333  -1.650
  785    HZ   PHE  95           HZ       PHE  95 -26.628  10.480  -3.668
  786    H    SER  96           H        SER  96 -20.060   8.330  -2.052
  787    HA   SER  96           HA       SER  96 -20.495  11.124  -1.425
  788    HB2  SER  96           HB2      SER  96 -19.780  10.279   0.901
  789    HB3  SER  96           HB3      SER  96 -21.285   9.642   0.243
  790    HG   SER  96           HG       SER  96 -18.761   8.338   0.030
  791    H    LYS  97           H        LYS  97 -18.594  11.803   0.357
  792    HA   LYS  97           HA       LYS  97 -16.178  11.936  -1.147
  793    HB2  LYS  97           HB2      LYS  97 -16.694  12.668   1.745
  794    HB3  LYS  97           HB3      LYS  97 -15.240  13.066   0.837
  795    HG2  LYS  97           HG2      LYS  97 -16.693  14.345  -0.752
  796    HG3  LYS  97           HG3      LYS  97 -18.030  14.086   0.371
  797    HD2  LYS  97           HD2      LYS  97 -17.054  16.255   0.776
  798    HD3  LYS  97           HD3      LYS  97 -16.701  15.193   2.141
  799    HE2  LYS  97           HE2      LYS  97 -14.725  16.469   1.556
  800    HE3  LYS  97           HE3      LYS  97 -14.467  14.762   1.196
  801    HZ1  LYS  97           HZ1      LYS  97 -13.644  16.063  -0.608
  802    HZ2  LYS  97           HZ2      LYS  97 -15.100  16.921  -0.740
  803    HZ3  LYS  97           HZ3      LYS  97 -15.048  15.275  -1.143
  804    H    HIS  98           H        HIS  98 -14.674  10.485  -1.228
  805    HA   HIS  98           HA       HIS  98 -14.988   7.977  -0.082
  806    HB2  HIS  98           HB2      HIS  98 -12.337   8.881  -1.148
  807    HB3  HIS  98           HB3      HIS  98 -13.136   7.327  -1.338
  808    HD1  HIS  98           HD1      HIS  98 -12.177  10.041  -3.303
  809    HD2  HIS  98           HD2      HIS  98 -15.724   7.890  -2.986
  810    HE1  HIS  98           HE1      HIS  98 -13.426  10.480  -5.436
  811    HE2  HIS  98           HE2      HIS  98 -15.633   9.302  -5.162
  812    H    ASP  99           H        ASP  99 -14.661   7.426   1.851
  813    HA   ASP  99           HA       ASP  99 -12.855   8.874   3.621
  814    HB2  ASP  99           HB2      ASP  99 -15.114   8.213   4.378
  815    HB3  ASP  99           HB3      ASP  99 -14.671   6.521   4.182
  816    H    ILE 100           H        ILE 100 -10.764   8.214   4.119
  817    HA   ILE 100           HA       ILE 100  -9.685   5.815   3.095
  818    HB   ILE 100           HB       ILE 100  -8.706   7.429   5.469
  819   HG12  ILE 100          HG12      ILE 100  -7.954   7.660   2.545
  820   HG13  ILE 100          HG13      ILE 100  -8.898   8.832   3.456
  821   HG21  ILE 100          HG21      ILE 100  -6.520   6.434   4.954
  822   HG22  ILE 100          HG22      ILE 100  -7.722   5.210   5.360
  823   HG23  ILE 100          HG23      ILE 100  -7.268   5.473   3.677
  824   HD11  ILE 100          HD11      ILE 100  -6.983   9.284   4.883
  825   HD12  ILE 100          HD12      ILE 100  -6.037   8.086   4.002
  826   HD13  ILE 100          HD13      ILE 100  -6.588   9.547   3.185
  827    H    ILE 101           H        ILE 101  -9.966   3.844   3.801
  828    HA   ILE 101           HA       ILE 101 -11.537   3.356   6.143
  829    HB   ILE 101           HB       ILE 101 -11.385   0.965   5.483
  830   HG12  ILE 101          HG12      ILE 101  -9.570   2.137   3.416
  831   HG13  ILE 101          HG13      ILE 101  -9.430   0.630   4.307
  832   HG21  ILE 101          HG21      ILE 101 -12.817   1.227   3.488
  833   HG22  ILE 101          HG22      ILE 101 -13.252   2.330   4.793
  834   HG23  ILE 101          HG23      ILE 101 -12.346   2.925   3.402
  835   HD11  ILE 101          HD11      ILE 101  -9.871   0.224   1.949
  836   HD12  ILE 101          HD12      ILE 101 -11.187  -0.371   2.962
  837   HD13  ILE 101          HD13      ILE 101 -11.373   1.138   2.070
  838    H    GLY 102           H        GLY 102  -8.266   2.582   5.022
  839    HA2  GLY 102           HA3      GLY 102  -7.190   3.009   7.602
  840    HA3  GLY 102           HA2      GLY 102  -7.294   1.286   7.273
  841    H    GLU 103           H        GLU 103  -4.952   1.152   7.354
  842    HA   GLU 103           HA       GLU 103  -3.439   1.893   5.120
  843    HB2  GLU 103           HB2      GLU 103  -2.305   3.834   5.761
  844    HB3  GLU 103           HB3      GLU 103  -3.979   4.180   6.170
  845    HG2  GLU 103           HG2      GLU 103  -3.555   3.750   8.490
  846    HG3  GLU 103           HG3      GLU 103  -1.915   3.206   8.123
  847    H    PHE 104           H        PHE 104  -1.042   1.671   5.616
  848    HA   PHE 104           HA       PHE 104  -0.456   0.370   8.157
  849    HB2  PHE 104           HB2      PHE 104   0.177  -1.666   7.387
  850    HB3  PHE 104           HB3      PHE 104  -0.977  -1.304   6.114
  851    HD1  PHE 104           HD2      PHE 104   2.614  -1.321   6.967
  852    HD2  PHE 104           HD1      PHE 104  -0.287  -1.125   3.864
  853    HE1  PHE 104           HE2      PHE 104   4.386  -1.616   5.289
  854    HE2  PHE 104           HE1      PHE 104   1.482  -1.417   2.181
  855    HZ   PHE 104           HZ       PHE 104   3.813  -1.771   2.905
  856    H    LYS 105           H        LYS 105   1.646   0.744   8.822
  857    HA   LYS 105           HA       LYS 105   3.286   2.439   7.061
  858    HB2  LYS 105           HB2      LYS 105   2.831   2.860  10.021
  859    HB3  LYS 105           HB3      LYS 105   3.929   3.791   9.017
  860    HG2  LYS 105           HG2      LYS 105   1.825   4.388   7.657
  861    HG3  LYS 105           HG3      LYS 105   0.941   3.818   9.078
  862    HD2  LYS 105           HD2      LYS 105   2.310   5.377  10.467
  863    HD3  LYS 105           HD3      LYS 105   3.008   6.012   8.976
  864    HE2  LYS 105           HE2      LYS 105   1.269   7.492   9.606
  865    HE3  LYS 105           HE3      LYS 105   0.672   6.557   8.235
  866    HZ1  LYS 105           HZ1      LYS 105  -1.096   6.395   9.627
  867    HZ2  LYS 105           HZ2      LYS 105  -0.163   6.496  11.037
  868    HZ3  LYS 105           HZ3      LYS 105  -0.229   5.041  10.172
  869    H    VAL 106           H        VAL 106   5.343   1.819   6.893
  870    HA   VAL 106           HA       VAL 106   6.621   0.450   9.126
  871    HB   VAL 106           HB       VAL 106   6.769  -0.693   6.322
  872   HG11  VAL 106          HG11      VAL 106   8.815  -0.976   7.598
  873   HG12  VAL 106          HG12      VAL 106   7.903  -1.664   8.941
  874   HG13  VAL 106          HG13      VAL 106   7.992  -2.523   7.404
  875   HG21  VAL 106          HG21      VAL 106   5.363  -1.806   8.750
  876   HG22  VAL 106          HG22      VAL 106   4.586  -1.176   7.299
  877   HG23  VAL 106          HG23      VAL 106   5.569  -2.636   7.207
  878    HA   PRO 107           HA       PRO 107   9.458   3.705   7.751
  879    HB2  PRO 107           HB2      PRO 107  11.275   3.052   9.714
  880    HB3  PRO 107           HB3      PRO 107   9.941   4.197   9.917
  881    HG2  PRO 107           HG2      PRO 107  10.040   1.285  10.612
  882    HG3  PRO 107           HG3      PRO 107   9.438   2.642  11.591
  883    HD2  PRO 107           HD2      PRO 107   7.689   1.150  10.315
  884    HD3  PRO 107           HD3      PRO 107   7.554   2.919  10.217
  885    H    MET 108           H        MET 108  10.798   3.435   6.249
  886    HA   MET 108           HA       MET 108  11.594   0.983   5.190
  887    HB2  MET 108           HB2      MET 108  12.665   3.777   4.707
  888    HB3  MET 108           HB3      MET 108  12.923   2.378   3.652
  889    HG2  MET 108           HG2      MET 108  10.138   3.081   4.326
  890    HG3  MET 108           HG3      MET 108  11.017   4.175   3.277
  891    HE1  MET 108           HE1      MET 108  11.355   0.258   3.587
  892    HE2  MET 108           HE2      MET 108   9.618   0.522   3.738
  893    HE3  MET 108           HE3      MET 108  10.265  -0.285   2.309
  894    H    ASN 109           H        ASN 109  12.954   3.146   7.440
  895    HA   ASN 109           HA       ASN 109  15.675   2.363   7.218
  896    HB2  ASN 109           HB2      ASN 109  15.733   3.285   9.673
  897    HB3  ASN 109           HB3      ASN 109  15.517   4.375   8.310
  898   HD21  ASN 109          HD21      ASN 109  13.612   5.452   8.052
  899   HD22  ASN 109          HD22      ASN 109  12.366   5.463   9.260
  900    H    THR 110           H        THR 110  12.962   0.898   8.796
  901    HA   THR 110           HA       THR 110  14.688  -0.763  10.450
  902    HB   THR 110           HB       THR 110  12.608  -1.769  11.319
  903    HG1  THR 110           HG1      THR 110  11.439  -0.126   9.332
  904   HG21  THR 110          HG21      THR 110  11.783   0.188  12.526
  905   HG22  THR 110          HG22      THR 110  12.582   1.250  11.367
  906   HG23  THR 110          HG23      THR 110  13.544   0.209  12.417
  907    H    VAL 111           H        VAL 111  13.210  -0.734   7.401
  908    HA   VAL 111           HA       VAL 111  12.978  -3.614   7.225
  909    HB   VAL 111           HB       VAL 111  12.501  -1.692   4.966
  910   HG11  VAL 111          HG11      VAL 111  12.642  -4.053   4.394
  911   HG12  VAL 111          HG12      VAL 111  11.406  -4.430   5.594
  912   HG13  VAL 111          HG13      VAL 111  10.997  -3.455   4.182
  913   HG21  VAL 111          HG21      VAL 111  10.522  -2.544   7.074
  914   HG22  VAL 111          HG22      VAL 111  11.178  -0.921   6.860
  915   HG23  VAL 111          HG23      VAL 111  10.148  -1.626   5.616
  916    H    ASP 112           H        ASP 112  14.753  -4.705   6.839
  917    HA   ASP 112           HA       ASP 112  16.840  -3.722   5.101
  918    HB2  ASP 112           HB2      ASP 112  17.509  -5.132   6.949
  919    HB3  ASP 112           HB3      ASP 112  16.422  -6.413   6.417
  920    H    PHE 113           H        PHE 113  16.511  -3.653   2.998
  921    HA   PHE 113           HA       PHE 113  14.963  -5.772   1.703
  922    HB2  PHE 113           HB2      PHE 113  15.510  -2.946   1.072
  923    HB3  PHE 113           HB3      PHE 113  15.497  -4.040  -0.307
  924    HD1  PHE 113           HD1      PHE 113  13.512  -2.634   2.434
  925    HD2  PHE 113           HD2      PHE 113  13.468  -5.068  -1.054
  926    HE1  PHE 113           HE1      PHE 113  11.057  -2.573   2.431
  927    HE2  PHE 113           HE2      PHE 113  11.007  -5.008  -1.066
  928    HZ   PHE 113           HZ       PHE 113   9.801  -3.738   0.613
  929    H    GLY 114           H        GLY 114  16.849  -7.159   2.209
  930    HA2  GLY 114           HA3      GLY 114  19.258  -6.826   0.704
  931    HA3  GLY 114           HA2      GLY 114  18.753  -8.280   1.555
  932    H    HIS 115           H        HIS 115  16.491  -9.037   0.393
  933    HA   HIS 115           HA       HIS 115  17.018  -9.108  -2.483
  934    HB2  HIS 115           HB2      HIS 115  16.335 -11.436  -0.705
  935    HB3  HIS 115           HB3      HIS 115  16.008 -11.469  -2.437
  936    HD1  HIS 115           HD1      HIS 115  18.519 -12.452  -0.126
  937    HD2  HIS 115           HD2      HIS 115  18.569 -10.726  -3.907
  938    HE1  HIS 115           HE1      HIS 115  20.814 -12.896  -1.045
  939    HE2  HIS 115           HE2      HIS 115  20.891 -11.614  -3.210
  940    H    VAL 116           H        VAL 116  14.380 -10.947  -1.334
  941    HA   VAL 116           HA       VAL 116  12.546  -8.787  -2.125
  942    HB   VAL 116           HB       VAL 116  10.913 -10.598  -2.699
  943   HG11  VAL 116          HG11      VAL 116  13.525 -10.557  -4.206
  944   HG12  VAL 116          HG12      VAL 116  12.006 -11.201  -4.834
  945   HG13  VAL 116          HG13      VAL 116  12.145  -9.485  -4.449
  946   HG21  VAL 116          HG21      VAL 116  11.898 -12.402  -1.370
  947   HG22  VAL 116          HG22      VAL 116  11.751 -12.863  -3.067
  948   HG23  VAL 116          HG23      VAL 116  13.321 -12.396  -2.412
  949    H    THR 117           H        THR 117  11.137  -8.086  -0.664
  950    HA   THR 117           HA       THR 117  10.943  -9.505   1.876
  951    HB   THR 117           HB       THR 117   9.980  -6.746   1.091
  952    HG1  THR 117           HG1      THR 117  12.327  -7.803   2.009
  953   HG21  THR 117          HG21      THR 117   8.576  -7.699   2.862
  954   HG22  THR 117          HG22      THR 117   9.602  -6.414   3.500
  955   HG23  THR 117          HG23      THR 117  10.016  -8.102   3.798
  956    H    GLU 118           H        GLU 118   9.588 -11.100   1.634
  957    HA   GLU 118           HA       GLU 118   6.888 -10.515   0.628
  958    HB2  GLU 118           HB2      GLU 118   8.283 -13.193   0.781
  959    HB3  GLU 118           HB3      GLU 118   6.682 -12.893   0.118
  960    HG2  GLU 118           HG2      GLU 118   7.736 -11.430  -1.594
  961    HG3  GLU 118           HG3      GLU 118   9.310 -11.928  -0.975
  962    H    GLU 119           H        GLU 119   5.611 -10.125   2.262
  963    HA   GLU 119           HA       GLU 119   5.230 -12.196   4.209
  964    HB2  GLU 119           HB2      GLU 119   5.333 -10.699   6.145
  965    HB3  GLU 119           HB3      GLU 119   6.909 -10.878   5.383
  966    HG2  GLU 119           HG2      GLU 119   6.944  -8.717   4.624
  967    HG3  GLU 119           HG3      GLU 119   5.183  -8.585   4.598
  968    H    TRP 120           H        TRP 120   3.366 -11.773   5.487
  969    HA   TRP 120           HA       TRP 120   1.313 -10.497   3.887
  970    HB2  TRP 120           HB2      TRP 120   0.895 -11.962   6.493
  971    HB3  TRP 120           HB3      TRP 120  -0.239 -11.757   5.161
  972    HD1  TRP 120           HD1      TRP 120   0.969 -14.564   6.569
  973    HE1  TRP 120           HE1      TRP 120   1.800 -16.388   4.955
  974    HE3  TRP 120           HE3      TRP 120   1.662 -11.699   2.399
  975    HZ2  TRP 120           HZ2      TRP 120   2.636 -16.577   2.249
  976    HZ3  TRP 120           HZ3      TRP 120   2.465 -12.751   0.345
  977    HH2  TRP 120           HH2      TRP 120   2.955 -15.152   0.267
  978    H    ARG 121           H        ARG 121   1.077  -8.357   4.210
  979    HA   ARG 121           HA       ARG 121   1.751  -7.350   6.913
  980    HB2  ARG 121           HB2      ARG 121   3.165  -6.680   4.969
  981    HB3  ARG 121           HB3      ARG 121   1.756  -5.904   4.264
  982    HG2  ARG 121           HG2      ARG 121   3.145  -4.250   5.319
  983    HG3  ARG 121           HG3      ARG 121   1.655  -4.415   6.249
  984    HD2  ARG 121           HD2      ARG 121   4.014  -6.060   7.031
  985    HD3  ARG 121           HD3      ARG 121   4.017  -4.342   7.427
  986    HE   ARG 121           HE       ARG 121   1.857  -4.788   8.581
  987   HH11  ARG 121          HH12      ARG 121   4.181  -7.366   8.133
  988   HH12  ARG 121          HH11      ARG 121   3.632  -8.256   9.527
  989   HH21  ARG 121          HH22      ARG 121   1.108  -5.957  10.379
  990   HH22  ARG 121          HH21      ARG 121   1.882  -7.457  10.814
  991    H    ASP 122           H        ASP 122   0.280  -5.785   7.877
  992    HA   ASP 122           HA       ASP 122  -2.377  -6.622   7.051
  993    HB2  ASP 122           HB2      ASP 122  -3.090  -6.277   9.297
  994    HB3  ASP 122           HB3      ASP 122  -1.550  -7.123   9.380
  995    H    LEU 123           H        LEU 123  -3.853  -5.239   6.299
  996    HA   LEU 123           HA       LEU 123  -3.428  -2.418   6.535
  997    HB2  LEU 123           HB2      LEU 123  -5.469  -4.204   5.341
  998    HB3  LEU 123           HB3      LEU 123  -6.008  -2.607   5.824
  999    HG   LEU 123           HG       LEU 123  -5.364  -1.948   3.797
 1000   HD11  LEU 123          HD11      LEU 123  -3.005  -1.387   3.501
 1001   HD12  LEU 123          HD12      LEU 123  -3.597  -0.955   5.107
 1002   HD13  LEU 123          HD13      LEU 123  -2.599  -2.392   4.893
 1003   HD21  LEU 123          HD21      LEU 123  -5.280  -4.205   2.957
 1004   HD22  LEU 123          HD22      LEU 123  -3.946  -3.270   2.285
 1005   HD23  LEU 123          HD23      LEU 123  -3.651  -4.415   3.594
 1006    H    GLN 124           H        GLN 124  -3.877  -1.298   8.303
 1007    HA   GLN 124           HA       GLN 124  -5.666  -2.429  10.306
 1008    HB2  GLN 124           HB2      GLN 124  -4.472  -1.251  11.989
 1009    HB3  GLN 124           HB3      GLN 124  -3.252  -2.003  10.971
 1010    HG2  GLN 124           HG2      GLN 124  -3.685   0.508   9.860
 1011    HG3  GLN 124           HG3      GLN 124  -3.671   0.766  11.603
 1012   HE21  GLN 124          HE21      GLN 124  -1.897  -1.794  10.013
 1013   HE22  GLN 124          HE22      GLN 124  -0.322  -1.168  10.345
 1014    H    SER 125           H        SER 125  -7.258  -1.092  11.138
 1015    HA   SER 125           HA       SER 125  -8.296   0.870   9.373
 1016    HB2  SER 125           HB2      SER 125  -9.137   0.502  12.245
 1017    HB3  SER 125           HB3      SER 125 -10.119   1.019  10.875
 1018    HG   SER 125           HG       SER 125 -10.657  -1.011  10.803
 1019    H    ALA 126           H        ALA 126  -7.381   2.833   9.178
 1020    HA   ALA 126           HA       ALA 126  -6.176   4.067  11.520
 1021    HB1  ALA 126           HB1      ALA 126  -4.861   4.068   9.469
 1022    HB2  ALA 126           HB2      ALA 126  -6.158   4.917   8.626
 1023    HB3  ALA 126           HB3      ALA 126  -5.287   5.716   9.934
 1024    H    GLU 127           H        GLU 127  -6.899   5.892  12.417
 1025    HA   GLU 127           HA       GLU 127  -9.540   6.856  11.588
 1026    HB2  GLU 127           HB2      GLU 127  -9.134   6.087  13.947
 1027    HB3  GLU 127           HB3      GLU 127  -7.998   7.413  14.134
 1028    HG2  GLU 127           HG2      GLU 127  -9.703   9.025  13.980
 1029    HG3  GLU 127           HG3      GLU 127 -10.871   7.841  13.386
 1030    H    LYS 128           H        LYS 128  -8.752   8.027   9.792
 1031    HA   LYS 128           HA       LYS 128  -6.782  10.138  10.388
 1032    HB2  LYS 128           HB2      LYS 128  -6.534   8.084   8.624
 1033    HB3  LYS 128           HB3      LYS 128  -7.252   9.302   7.585
 1034    HG2  LYS 128           HG2      LYS 128  -4.764   9.736   9.217
 1035    HG3  LYS 128           HG3      LYS 128  -4.767   9.213   7.533
 1036    HD2  LYS 128           HD2      LYS 128  -6.070  11.289   6.995
 1037    HD3  LYS 128           HD3      LYS 128  -5.781  11.818   8.655
 1038    HE2  LYS 128           HE2      LYS 128  -3.391  11.764   8.297
 1039    HE3  LYS 128           HE3      LYS 128  -3.620  11.104   6.679
 1040    HZ1  LYS 128           HZ1      LYS 128  -4.219  13.828   7.655
 1041    HZ2  LYS 128           HZ2      LYS 128  -4.955  13.219   6.254
 1042    HZ3  LYS 128           HZ3      LYS 128  -3.266  13.358   6.331
  Start of MODEL   20
    1    H1   GLU   1           H1       GLU   1 -11.225  -0.159  14.166
    2    H2   GLU   1           H2       GLU   1 -12.865  -0.569  14.128
    3    H3   GLU   1           H3       GLU   1 -12.397   1.063  14.067
    4    HA   GLU   1           HA       GLU   1 -13.071   0.271  11.904
    5    HB2  GLU   1           HB2      GLU   1 -11.294   1.987  12.174
    6    HB3  GLU   1           HB3      GLU   1 -10.086   0.727  12.088
    7    HG2  GLU   1           HG2      GLU   1 -10.396   2.042  10.005
    8    HG3  GLU   1           HG3      GLU   1 -10.590   0.301   9.791
    9    H    LYS   2           H        LYS   2 -12.151  -0.979   9.974
   10    HA   LYS   2           HA       LYS   2 -11.853  -3.766  10.945
   11    HB2  LYS   2           HB2      LYS   2 -12.988  -3.508   8.291
   12    HB3  LYS   2           HB3      LYS   2 -13.634  -4.355   9.689
   13    HG2  LYS   2           HG2      LYS   2 -13.874  -1.387   9.362
   14    HG3  LYS   2           HG3      LYS   2 -15.056  -2.507   8.680
   15    HD2  LYS   2           HD2      LYS   2 -15.981  -2.935  10.691
   16    HD3  LYS   2           HD3      LYS   2 -14.417  -2.966  11.510
   17    HE2  LYS   2           HE2      LYS   2 -16.005  -1.102  12.175
   18    HE3  LYS   2           HE3      LYS   2 -14.366  -0.628  11.734
   19    HZ1  LYS   2           HZ1      LYS   2 -16.731  -0.490   9.942
   20    HZ2  LYS   2           HZ2      LYS   2 -15.151   0.002   9.558
   21    HZ3  LYS   2           HZ3      LYS   2 -16.025   0.828  10.748
   22    H    LEU   3           H        LEU   3  -9.660  -4.154  10.479
   23    HA   LEU   3           HA       LEU   3  -8.600  -2.347   8.645
   24    HB2  LEU   3           HB2      LEU   3  -6.567  -2.573   9.815
   25    HB3  LEU   3           HB3      LEU   3  -7.848  -2.400  10.988
   26    HG   LEU   3           HG       LEU   3  -6.496  -5.011  10.293
   27   HD11  LEU   3          HD11      LEU   3  -4.909  -3.533  11.296
   28   HD12  LEU   3          HD12      LEU   3  -6.055  -3.076  12.559
   29   HD13  LEU   3          HD13      LEU   3  -5.407  -4.718  12.506
   30   HD21  LEU   3          HD21      LEU   3  -7.486  -5.644  12.564
   31   HD22  LEU   3          HD22      LEU   3  -8.548  -4.253  12.361
   32   HD23  LEU   3          HD23      LEU   3  -8.592  -5.581  11.196
   33    H    GLY   4           H        GLY   4  -8.971  -5.809   9.136
   34    HA2  GLY   4           HA3      GLY   4  -8.699  -7.497   7.566
   35    HA3  GLY   4           HA2      GLY   4  -8.306  -6.264   6.373
   36    H    LYS   5           H        LYS   5  -6.678  -7.818   5.638
   37    HA   LYS   5           HA       LYS   5  -4.155  -7.225   6.985
   38    HB2  LYS   5           HB2      LYS   5  -4.333  -9.986   5.932
   39    HB3  LYS   5           HB3      LYS   5  -3.350  -9.335   7.208
   40    HG2  LYS   5           HG2      LYS   5  -5.346  -9.253   8.667
   41    HG3  LYS   5           HG3      LYS   5  -6.250 -10.075   7.393
   42    HD2  LYS   5           HD2      LYS   5  -5.485 -11.699   9.014
   43    HD3  LYS   5           HD3      LYS   5  -4.629 -11.940   7.491
   44    HE2  LYS   5           HE2      LYS   5  -2.750 -10.549   8.448
   45    HE3  LYS   5           HE3      LYS   5  -3.599 -10.615   9.994
   46    HZ1  LYS   5           HZ1      LYS   5  -3.372 -12.975  10.058
   47    HZ2  LYS   5           HZ2      LYS   5  -1.843 -12.319   9.741
   48    HZ3  LYS   5           HZ3      LYS   5  -2.737 -13.025   8.485
   49    H    LEU   6           H        LEU   6  -2.217  -7.803   5.455
   50    HA   LEU   6           HA       LEU   6  -3.053  -7.680   2.638
   51    HB2  LEU   6           HB2      LEU   6  -3.109  -5.402   3.142
   52    HB3  LEU   6           HB3      LEU   6  -1.747  -5.517   4.233
   53    HG   LEU   6           HG       LEU   6  -0.386  -5.992   2.095
   54   HD11  LEU   6          HD11      LEU   6  -2.587  -4.427   0.832
   55   HD12  LEU   6          HD12      LEU   6  -1.170  -5.173   0.077
   56   HD13  LEU   6          HD13      LEU   6  -2.473  -6.186   0.706
   57   HD21  LEU   6          HD21      LEU   6  -1.502  -3.241   2.630
   58   HD22  LEU   6          HD22      LEU   6  -0.245  -4.028   3.594
   59   HD23  LEU   6          HD23      LEU   6   0.058  -3.627   1.900
   60    H    GLN   7           H        GLN   7  -1.783  -9.404   1.988
   61    HA   GLN   7           HA       GLN   7   0.944  -9.557   3.129
   62    HB2  GLN   7           HB2      GLN   7   1.019 -11.813   3.310
   63    HB3  GLN   7           HB3      GLN   7  -0.617 -11.440   3.814
   64    HG2  GLN   7           HG2      GLN   7   0.140 -12.513   1.108
   65    HG3  GLN   7           HG3      GLN   7  -0.460 -13.476   2.451
   66   HE21  GLN   7          HE21      GLN   7  -2.318 -11.118   3.107
   67   HE22  GLN   7          HE22      GLN   7  -3.644 -11.329   1.998
   68    H    TYR   8           H        TYR   8   2.535  -9.147   1.707
   69    HA   TYR   8           HA       TYR   8   2.664 -11.027  -0.322
   70    HB2  TYR   8           HB2      TYR   8   1.287  -9.334  -1.487
   71    HB3  TYR   8           HB3      TYR   8   2.814  -8.543  -1.842
   72    HD1  TYR   8           HD2      TYR   8   2.832 -12.187  -1.413
   73    HD2  TYR   8           HD1      TYR   8   2.428  -9.041  -4.252
   74    HE1  TYR   8           HE2      TYR   8   3.265 -13.776  -3.239
   75    HE2  TYR   8           HE1      TYR   8   2.865 -10.622  -6.077
   76    HH   TYR   8           HH       TYR   8   2.763 -13.945  -5.714
   77    H    SER   9           H        SER   9   4.431  -8.964  -1.910
   78    HA   SER   9           HA       SER   9   6.901  -9.849  -0.714
   79    HB2  SER   9           HB2      SER   9   7.590 -11.095  -2.772
   80    HB3  SER   9           HB3      SER   9   6.286 -11.874  -1.872
   81    HG   SER   9           HG       SER   9   5.216 -10.187  -3.634
   82    H    LEU  10           H        LEU  10   8.325  -8.387  -1.074
   83    HA   LEU  10           HA       LEU  10   7.774  -6.204  -2.943
   84    HB2  LEU  10           HB2      LEU  10   9.149  -5.805  -0.321
   85    HB3  LEU  10           HB3      LEU  10   8.239  -4.656  -1.282
   86    HG   LEU  10           HG       LEU  10   7.120  -6.872   0.435
   87   HD11  LEU  10          HD11      LEU  10   7.857  -4.977   1.690
   88   HD12  LEU  10          HD12      LEU  10   7.020  -3.882   0.585
   89   HD13  LEU  10          HD13      LEU  10   6.091  -4.969   1.618
   90   HD21  LEU  10          HD21      LEU  10   4.904  -6.065  -0.171
   91   HD22  LEU  10          HD22      LEU  10   5.614  -4.899  -1.299
   92   HD23  LEU  10          HD23      LEU  10   5.766  -6.633  -1.603
   93    H    ASP  11           H        ASP  11   9.557  -5.188  -3.915
   94    HA   ASP  11           HA       ASP  11  12.083  -6.701  -3.754
   95    HB2  ASP  11           HB2      ASP  11  10.381  -7.233  -5.726
   96    HB3  ASP  11           HB3      ASP  11  11.051  -5.760  -6.411
   97    H    TYR  12           H        TYR  12  13.741  -5.435  -5.229
   98    HA   TYR  12           HA       TYR  12  13.456  -2.503  -5.032
   99    HB2  TYR  12           HB2      TYR  12  14.444  -3.050  -2.935
  100    HB3  TYR  12           HB3      TYR  12  15.543  -4.210  -3.658
  101    HD1  TYR  12           HD2      TYR  12  14.750  -0.580  -4.196
  102    HD2  TYR  12           HD1      TYR  12  17.716  -3.559  -3.557
  103    HE1  TYR  12           HE2      TYR  12  16.495   1.149  -4.258
  104    HE2  TYR  12           HE1      TYR  12  19.468  -1.841  -3.615
  105    HH   TYR  12           HH       TYR  12  19.890   0.341  -4.295
  106    H    ASP  13           H        ASP  13  13.886  -1.735  -6.897
  107    HA   ASP  13           HA       ASP  13  15.871  -3.121  -8.588
  108    HB2  ASP  13           HB2      ASP  13  13.681  -2.556  -9.656
  109    HB3  ASP  13           HB3      ASP  13  13.986  -0.855  -9.322
  110    H    PHE  14           H        PHE  14  17.897  -2.299  -8.500
  111    HA   PHE  14           HA       PHE  14  18.081   0.059  -6.832
  112    HB2  PHE  14           HB2      PHE  14  20.525  -0.523  -6.714
  113    HB3  PHE  14           HB3      PHE  14  19.430  -1.737  -6.067
  114    HD1  PHE  14           HD2      PHE  14  21.769  -0.918  -8.750
  115    HD2  PHE  14           HD1      PHE  14  19.175  -3.884  -7.140
  116    HE1  PHE  14           HE2      PHE  14  22.809  -2.610 -10.201
  117    HE2  PHE  14           HE1      PHE  14  20.211  -5.580  -8.586
  118    HZ   PHE  14           HZ       PHE  14  22.050  -4.966 -10.081
  119    H    GLN  15           H        GLN  15  18.576  -0.751 -10.227
  120    HA   GLN  15           HA       GLN  15  20.134   1.686 -10.443
  121    HB2  GLN  15           HB2      GLN  15  20.347   1.084 -12.815
  122    HB3  GLN  15           HB3      GLN  15  20.911  -0.177 -11.746
  123    HG2  GLN  15           HG2      GLN  15  19.761  -1.302 -13.438
  124    HG3  GLN  15           HG3      GLN  15  18.627  -1.259 -12.090
  125   HE21  GLN  15          HE21      GLN  15  16.725  -0.162 -12.294
  126   HE22  GLN  15          HE22      GLN  15  16.222   0.639 -13.749
  127    H    ASN  16           H        ASN  16  16.714   1.117 -10.417
  128    HA   ASN  16           HA       ASN  16  16.723   3.864 -11.383
  129    HB2  ASN  16           HB2      ASN  16  14.228   3.623 -11.107
  130    HB3  ASN  16           HB3      ASN  16  14.956   2.698 -12.403
  131   HD21  ASN  16          HD21      ASN  16  13.233   1.269 -12.429
  132   HD22  ASN  16          HD22      ASN  16  13.021   0.088 -11.183
  133    H    ASN  17           H        ASN  17  17.187   2.036  -8.768
  134    HA   ASN  17           HA       ASN  17  17.482   2.329  -6.609
  135    HB2  ASN  17           HB2      ASN  17  18.287   4.738  -7.693
  136    HB3  ASN  17           HB3      ASN  17  17.114   5.204  -6.448
  137   HD21  ASN  17          HD21      ASN  17  17.618   2.849  -4.887
  138   HD22  ASN  17          HD22      ASN  17  19.162   3.042  -4.124
  139    H    GLN  18           H        GLN  18  15.085   1.413  -6.905
  140    HA   GLN  18           HA       GLN  18  13.477   3.146  -5.216
  141    HB2  GLN  18           HB2      GLN  18  11.561   2.913  -6.598
  142    HB3  GLN  18           HB3      GLN  18  12.843   3.606  -7.565
  143    HG2  GLN  18           HG2      GLN  18  12.735   1.924  -9.013
  144    HG3  GLN  18           HG3      GLN  18  12.739   0.714  -7.723
  145   HE21  GLN  18          HE21      GLN  18  10.810   0.134  -6.754
  146   HE22  GLN  18          HE22      GLN  18   9.279   0.478  -7.475
  147    H    LEU  19           H        LEU  19  12.138   2.065  -3.862
  148    HA   LEU  19           HA       LEU  19  12.461  -0.774  -3.710
  149    HB2  LEU  19           HB2      LEU  19  10.875   1.192  -2.057
  150    HB3  LEU  19           HB3      LEU  19  10.889  -0.537  -1.758
  151    HG   LEU  19           HG       LEU  19  13.316   1.244  -1.672
  152   HD11  LEU  19          HD11      LEU  19  13.211   0.918   0.749
  153   HD12  LEU  19          HD12      LEU  19  11.765   1.732   0.150
  154   HD13  LEU  19          HD13      LEU  19  11.706   0.019   0.565
  155   HD21  LEU  19          HD21      LEU  19  13.854  -1.028  -2.318
  156   HD22  LEU  19          HD22      LEU  19  14.386  -0.726  -0.664
  157   HD23  LEU  19          HD23      LEU  19  12.920  -1.666  -0.961
  158    H    LEU  20           H        LEU  20  10.686  -2.169  -3.731
  159    HA   LEU  20           HA       LEU  20   8.416  -1.305  -5.318
  160    HB2  LEU  20           HB2      LEU  20  10.445  -2.718  -6.432
  161    HB3  LEU  20           HB3      LEU  20   9.586  -4.038  -5.672
  162    HG   LEU  20           HG       LEU  20   8.859  -3.980  -7.909
  163   HD11  LEU  20          HD11      LEU  20   6.479  -3.429  -7.776
  164   HD12  LEU  20          HD12      LEU  20   7.031  -4.320  -6.360
  165   HD13  LEU  20          HD13      LEU  20   6.768  -2.580  -6.257
  166   HD21  LEU  20          HD21      LEU  20   9.709  -1.714  -8.398
  167   HD22  LEU  20          HD22      LEU  20   8.100  -2.015  -9.067
  168   HD23  LEU  20          HD23      LEU  20   8.282  -1.043  -7.608
  169    H    VAL  21           H        VAL  21   6.698  -1.872  -4.213
  170    HA   VAL  21           HA       VAL  21   6.948  -4.033  -2.245
  171    HB   VAL  21           HB       VAL  21   5.639  -1.307  -1.975
  172   HG11  VAL  21          HG11      VAL  21   4.677  -2.034   0.159
  173   HG12  VAL  21          HG12      VAL  21   4.003  -2.928  -1.205
  174   HG13  VAL  21          HG13      VAL  21   5.213  -3.681  -0.167
  175   HG21  VAL  21          HG21      VAL  21   7.656  -2.768  -0.279
  176   HG22  VAL  21          HG22      VAL  21   7.961  -1.381  -1.324
  177   HG23  VAL  21          HG23      VAL  21   6.950  -1.199   0.111
  178    H    GLY  22           H        GLY  22   5.997  -5.503  -3.621
  179    HA2  GLY  22           HA3      GLY  22   3.505  -4.637  -4.945
  180    HA3  GLY  22           HA2      GLY  22   4.519  -6.045  -5.371
  181    H    ILE  23           H        ILE  23   1.784  -5.040  -3.292
  182    HA   ILE  23           HA       ILE  23   2.246  -7.494  -1.828
  183    HB   ILE  23           HB       ILE  23  -0.013  -6.903  -0.747
  184   HG12  ILE  23          HG12      ILE  23  -0.424  -4.366  -0.920
  185   HG13  ILE  23          HG13      ILE  23   0.539  -4.419  -2.389
  186   HG21  ILE  23          HG21      ILE  23   2.135  -6.569   0.333
  187   HG22  ILE  23          HG22      ILE  23   2.341  -5.032  -0.506
  188   HG23  ILE  23          HG23      ILE  23   1.052  -5.222   0.683
  189   HD11  ILE  23          HD11      ILE  23  -2.024  -5.919  -1.911
  190   HD12  ILE  23          HD12      ILE  23  -1.843  -4.445  -2.863
  191   HD13  ILE  23          HD13      ILE  23  -1.069  -5.939  -3.394
  192    H    ILE  24           H        ILE  24  -0.510  -8.291  -1.431
  193    HA   ILE  24           HA       ILE  24  -1.198  -9.246  -4.131
  194    HB   ILE  24           HB       ILE  24  -1.883 -10.520  -1.465
  195   HG12  ILE  24          HG12      ILE  24  -0.163 -11.491  -3.756
  196   HG13  ILE  24          HG13      ILE  24   0.418 -10.976  -2.177
  197   HG21  ILE  24          HG21      ILE  24  -2.968 -12.272  -2.782
  198   HG22  ILE  24          HG22      ILE  24  -3.732 -10.706  -3.048
  199   HG23  ILE  24          HG23      ILE  24  -2.637 -11.372  -4.260
  200   HD11  ILE  24          HD11      ILE  24   0.404 -13.382  -2.332
  201   HD12  ILE  24          HD12      ILE  24  -0.789 -12.850  -1.147
  202   HD13  ILE  24          HD13      ILE  24  -1.309 -13.372  -2.749
  203    H    GLN  25           H        GLN  25  -2.578  -8.714  -1.023
  204    HA   GLN  25           HA       GLN  25  -4.753  -7.189  -2.035
  205    HB2  GLN  25           HB2      GLN  25  -6.275  -8.803  -2.253
  206    HB3  GLN  25           HB3      GLN  25  -4.940  -9.928  -2.242
  207    HG2  GLN  25           HG2      GLN  25  -6.602  -9.147   0.147
  208    HG3  GLN  25           HG3      GLN  25  -6.732 -10.649  -0.774
  209   HE21  GLN  25          HE21      GLN  25  -3.833 -10.520  -1.182
  210   HE22  GLN  25          HE22      GLN  25  -3.117 -11.044   0.278
  211    H    ALA  26           H        ALA  26  -5.978  -6.450  -0.564
  212    HA   ALA  26           HA       ALA  26  -5.267  -6.780   2.251
  213    HB1  ALA  26           HB1      ALA  26  -6.626  -4.723   2.584
  214    HB2  ALA  26           HB2      ALA  26  -5.241  -4.441   1.527
  215    HB3  ALA  26           HB3      ALA  26  -6.853  -4.621   0.838
  216    H    ALA  27           H        ALA  27  -7.096  -7.337   3.576
  217    HA   ALA  27           HA       ALA  27  -9.063  -8.759   1.947
  218    HB1  ALA  27           HB1      ALA  27  -7.316 -10.216   2.823
  219    HB2  ALA  27           HB2      ALA  27  -7.721  -9.712   4.465
  220    HB3  ALA  27           HB3      ALA  27  -8.894 -10.617   3.505
  221    H    GLU  28           H        GLU  28 -11.092  -8.133   2.288
  222    HA   GLU  28           HA       GLU  28 -13.053  -7.776   3.376
  223    HB2  GLU  28           HB2      GLU  28 -11.500  -8.931   5.684
  224    HB3  GLU  28           HB3      GLU  28 -13.237  -8.627   5.716
  225    HG2  GLU  28           HG2      GLU  28 -11.824 -10.454   3.790
  226    HG3  GLU  28           HG3      GLU  28 -12.675 -10.971   5.249
  227    H    LEU  29           H        LEU  29 -11.711  -5.476   3.022
  228    HA   LEU  29           HA       LEU  29 -11.537  -4.121   5.608
  229    HB2  LEU  29           HB2      LEU  29 -11.129  -2.742   2.977
  230    HB3  LEU  29           HB3      LEU  29 -10.420  -2.380   4.538
  231    HG   LEU  29           HG       LEU  29  -9.579  -4.404   2.494
  232   HD11  LEU  29          HD11      LEU  29  -7.352  -3.546   3.183
  233   HD12  LEU  29          HD12      LEU  29  -8.422  -2.299   2.517
  234   HD13  LEU  29          HD13      LEU  29  -8.166  -2.412   4.266
  235   HD21  LEU  29          HD21      LEU  29  -8.783  -4.552   5.398
  236   HD22  LEU  29          HD22      LEU  29  -9.823  -5.707   4.558
  237   HD23  LEU  29          HD23      LEU  29  -8.139  -5.518   4.056
  238    HA   PRO  30           HA       PRO  30 -15.460  -2.489   5.966
  239    HB2  PRO  30           HB2      PRO  30 -15.198   0.262   6.072
  240    HB3  PRO  30           HB3      PRO  30 -14.930  -0.841   7.425
  241    HG2  PRO  30           HG2      PRO  30 -12.950   0.415   5.577
  242    HG3  PRO  30           HG3      PRO  30 -12.839   0.139   7.326
  243    HD2  PRO  30           HD2      PRO  30 -11.554  -1.441   5.595
  244    HD3  PRO  30           HD3      PRO  30 -12.295  -2.102   7.068
  245    H    ALA  31           H        ALA  31 -17.240  -1.856   4.880
  246    HA   ALA  31           HA       ALA  31 -16.925  -1.311   2.055
  247    HB1  ALA  31           HB1      ALA  31 -19.372  -1.853   3.735
  248    HB2  ALA  31           HB2      ALA  31 -19.330  -1.767   1.974
  249    HB3  ALA  31           HB3      ALA  31 -18.457  -3.048   2.813
  250    H    LEU  32           H        LEU  32 -16.923   0.747   1.278
  251    HA   LEU  32           HA       LEU  32 -18.661   2.699   2.680
  252    HB2  LEU  32           HB2      LEU  32 -16.399   3.584   0.973
  253    HB3  LEU  32           HB3      LEU  32 -17.163   4.413   2.317
  254    HG   LEU  32           HG       LEU  32 -15.158   2.174   2.462
  255   HD11  LEU  32          HD11      LEU  32 -14.295   4.417   2.026
  256   HD12  LEU  32          HD12      LEU  32 -15.116   5.007   3.471
  257   HD13  LEU  32          HD13      LEU  32 -13.816   3.824   3.617
  258   HD21  LEU  32          HD21      LEU  32 -16.693   3.466   4.713
  259   HD22  LEU  32          HD22      LEU  32 -16.866   1.797   4.152
  260   HD23  LEU  32          HD23      LEU  32 -15.354   2.330   4.895
  261    H    ASP  33           H        ASP  33 -19.505   0.962   0.691
  262    HA   ASP  33           HA       ASP  33 -20.096   2.798  -1.488
  263    HB2  ASP  33           HB2      ASP  33 -18.490   1.756  -2.711
  264    HB3  ASP  33           HB3      ASP  33 -18.423   0.377  -1.625
  265    H    MET  34           H        MET  34 -21.842   2.054  -2.803
  266    HA   MET  34           HA       MET  34 -23.966   1.121  -1.089
  267    HB2  MET  34           HB2      MET  34 -23.947   2.073  -3.957
  268    HB3  MET  34           HB3      MET  34 -25.403   1.654  -3.067
  269    HG2  MET  34           HG2      MET  34 -25.009   3.439  -1.499
  270    HG3  MET  34           HG3      MET  34 -23.469   3.815  -2.270
  271    HE1  MET  34           HE1      MET  34 -27.358   3.558  -2.893
  272    HE2  MET  34           HE2      MET  34 -27.473   4.240  -4.514
  273    HE3  MET  34           HE3      MET  34 -26.624   2.715  -4.257
  274    H    GLY  35           H        GLY  35 -22.826  -0.989  -0.976
  275    HA2  GLY  35           HA3      GLY  35 -24.448  -2.925  -2.220
  276    HA3  GLY  35           HA2      GLY  35 -22.869  -2.909  -3.003
  277    H    GLY  36           H        GLY  36 -23.085  -1.964   0.289
  278    HA2  GLY  36           HA3      GLY  36 -21.882  -2.696   2.095
  279    HA3  GLY  36           HA2      GLY  36 -22.564  -4.273   1.704
  280    H    THR  37           H        THR  37 -20.380  -2.303  -0.189
  281    HA   THR  37           HA       THR  37 -18.184  -4.110   0.346
  282    HB   THR  37           HB       THR  37 -17.642  -4.112  -2.159
  283    HG1  THR  37           HG1      THR  37 -19.376  -2.584  -2.627
  284   HG21  THR  37          HG21      THR  37 -18.326  -6.118  -0.922
  285   HG22  THR  37          HG22      THR  37 -18.967  -6.117  -2.564
  286   HG23  THR  37          HG23      THR  37 -20.020  -5.713  -1.208
  287    H    SER  38           H        SER  38 -16.231  -3.192  -0.923
  288    HA   SER  38           HA       SER  38 -16.219  -0.267  -0.788
  289    HB2  SER  38           HB2      SER  38 -15.046  -1.090   1.138
  290    HB3  SER  38           HB3      SER  38 -14.245  -2.345   0.199
  291    HG   SER  38           HG       SER  38 -13.834   0.426  -0.205
  292    H    ASP  39           H        ASP  39 -14.590   0.718  -2.256
  293    HA   ASP  39           HA       ASP  39 -13.662  -1.101  -4.361
  294    HB2  ASP  39           HB2      ASP  39 -13.964   1.915  -4.514
  295    HB3  ASP  39           HB3      ASP  39 -13.514   0.840  -5.829
  296    HA   PRO  40           HA       PRO  40 -10.205   0.115  -1.478
  297    HB2  PRO  40           HB2      PRO  40  -9.290  -2.575  -2.314
  298    HB3  PRO  40           HB3      PRO  40  -9.383  -1.865  -0.699
  299    HG2  PRO  40           HG2      PRO  40 -11.142  -3.716  -1.499
  300    HG3  PRO  40           HG3      PRO  40 -11.631  -2.357  -0.470
  301    HD2  PRO  40           HD2      PRO  40 -12.020  -2.772  -3.394
  302    HD3  PRO  40           HD3      PRO  40 -13.114  -2.082  -2.176
  303    H    TYR  41           H        TYR  41  -8.192   0.664  -1.910
  304    HA   TYR  41           HA       TYR  41  -6.773   0.177  -4.267
  305    HB2  TYR  41           HB2      TYR  41  -7.416   1.899  -5.604
  306    HB3  TYR  41           HB3      TYR  41  -8.818   2.018  -4.548
  307    HD1  TYR  41           HD2      TYR  41  -5.271   3.283  -4.406
  308    HD2  TYR  41           HD1      TYR  41  -9.427   4.112  -4.067
  309    HE1  TYR  41           HE2      TYR  41  -4.751   5.621  -3.884
  310    HE2  TYR  41           HE1      TYR  41  -8.926   6.463  -3.585
  311    HH   TYR  41           HH       TYR  41  -6.081   7.885  -4.230
  312    H    VAL  42           H        VAL  42  -4.656   0.589  -3.786
  313    HA   VAL  42           HA       VAL  42  -4.188   1.640  -1.123
  314    HB   VAL  42           HB       VAL  42  -2.032   0.623  -1.183
  315   HG11  VAL  42          HG11      VAL  42  -3.873  -0.871  -0.693
  316   HG12  VAL  42          HG12      VAL  42  -4.060  -1.234  -2.409
  317   HG13  VAL  42          HG13      VAL  42  -2.599  -1.733  -1.557
  318   HG21  VAL  42          HG21      VAL  42  -1.334   1.138  -3.439
  319   HG22  VAL  42          HG22      VAL  42  -1.162  -0.590  -3.132
  320   HG23  VAL  42          HG23      VAL  42  -2.518   0.005  -4.090
  321    H    LYS  43           H        LYS  43  -3.756   3.661  -0.896
  322    HA   LYS  43           HA       LYS  43  -2.304   5.211  -2.860
  323    HB2  LYS  43           HB2      LYS  43  -3.023   5.838   0.013
  324    HB3  LYS  43           HB3      LYS  43  -2.286   6.964  -1.115
  325    HG2  LYS  43           HG2      LYS  43  -4.358   6.538  -2.563
  326    HG3  LYS  43           HG3      LYS  43  -5.074   5.880  -1.076
  327    HD2  LYS  43           HD2      LYS  43  -5.615   8.250  -1.318
  328    HD3  LYS  43           HD3      LYS  43  -4.558   7.993   0.070
  329    HE2  LYS  43           HE2      LYS  43  -3.862   9.957  -1.186
  330    HE3  LYS  43           HE3      LYS  43  -2.631   8.699  -1.257
  331    HZ1  LYS  43           HZ1      LYS  43  -2.973   9.738  -3.410
  332    HZ2  LYS  43           HZ2      LYS  43  -4.608   9.306  -3.392
  333    HZ3  LYS  43           HZ3      LYS  43  -3.414   8.100  -3.468
  334    H    VAL  44           H        VAL  44  -0.126   5.239  -2.953
  335    HA   VAL  44           HA       VAL  44   1.221   4.119  -0.602
  336    HB   VAL  44           HB       VAL  44   1.428   3.352  -3.457
  337   HG11  VAL  44          HG11      VAL  44   3.683   4.185  -3.044
  338   HG12  VAL  44          HG12      VAL  44   3.777   3.222  -1.569
  339   HG13  VAL  44          HG13      VAL  44   3.674   2.422  -3.135
  340   HG21  VAL  44          HG21      VAL  44   1.690   1.151  -2.404
  341   HG22  VAL  44          HG22      VAL  44   1.695   1.923  -0.818
  342   HG23  VAL  44          HG23      VAL  44   0.252   1.996  -1.831
  343    H    PHE  45           H        PHE  45   2.453   5.527   0.344
  344    HA   PHE  45           HA       PHE  45   3.938   7.420  -1.257
  345    HB2  PHE  45           HB2      PHE  45   3.000   9.378  -0.059
  346    HB3  PHE  45           HB3      PHE  45   1.834   8.571  -1.091
  347    HD1  PHE  45           HD2      PHE  45   0.357   6.751   0.195
  348    HD2  PHE  45           HD1      PHE  45   2.329  10.061   2.001
  349    HE1  PHE  45           HE2      PHE  45  -1.244   6.679   2.060
  350    HE2  PHE  45           HE1      PHE  45   0.728  10.000   3.872
  351    HZ   PHE  45           HZ       PHE  45  -1.063   8.307   3.901
  352    H    LEU  46           H        LEU  46   5.022   9.003   0.354
  353    HA   LEU  46           HA       LEU  46   6.278   7.336   2.406
  354    HB2  LEU  46           HB2      LEU  46   7.472   9.212   0.398
  355    HB3  LEU  46           HB3      LEU  46   8.289   8.855   1.905
  356    HG   LEU  46           HG       LEU  46   8.428   6.516   1.321
  357   HD11  LEU  46          HD11      LEU  46   7.812   5.750  -0.939
  358   HD12  LEU  46          HD12      LEU  46   6.419   6.221   0.046
  359   HD13  LEU  46          HD13      LEU  46   7.023   7.304  -1.214
  360   HD21  LEU  46          HD21      LEU  46   9.396   8.339  -0.865
  361   HD22  LEU  46          HD22      LEU  46  10.237   7.969   0.640
  362   HD23  LEU  46          HD23      LEU  46   9.984   6.704  -0.563
  363    H    LEU  47           H        LEU  47   7.293   8.506   4.162
  364    HA   LEU  47           HA       LEU  47   5.688  10.697   5.104
  365    HB2  LEU  47           HB2      LEU  47   6.394   9.319   6.828
  366    HB3  LEU  47           HB3      LEU  47   7.959   9.026   6.096
  367    HG   LEU  47           HG       LEU  47   8.028  11.717   6.729
  368   HD11  LEU  47          HD11      LEU  47   7.409  11.790   9.114
  369   HD12  LEU  47          HD12      LEU  47   6.010  11.524   8.073
  370   HD13  LEU  47          HD13      LEU  47   6.709  10.177   8.972
  371   HD21  LEU  47          HD21      LEU  47   9.636  11.020   8.430
  372   HD22  LEU  47          HD22      LEU  47   9.059   9.359   8.302
  373   HD23  LEU  47          HD23      LEU  47   9.856  10.125   6.926
  374    HA   PRO  48           HA       PRO  48   6.579  14.519   3.775
  375    HB2  PRO  48           HB2      PRO  48   8.894  14.588   5.673
  376    HB3  PRO  48           HB3      PRO  48   7.815  15.908   5.190
  377    HG2  PRO  48           HG2      PRO  48   7.370  14.219   7.357
  378    HG3  PRO  48           HG3      PRO  48   6.119  15.172   6.538
  379    HD2  PRO  48           HD2      PRO  48   6.238  12.357   6.648
  380    HD3  PRO  48           HD3      PRO  48   5.239  13.312   5.529
  381    H    ASP  49           H        ASP  49   9.024  12.246   3.036
  382    HA   ASP  49           HA       ASP  49  10.233  14.082   1.156
  383    HB2  ASP  49           HB2      ASP  49  11.703  12.380   1.903
  384    HB3  ASP  49           HB3      ASP  49  10.523  11.103   1.631
  385    H    LYS  50           H        LYS  50   8.541  10.952   0.622
  386    HA   LYS  50           HA       LYS  50   6.639  10.447  -0.425
  387    HB2  LYS  50           HB2      LYS  50   6.121  12.857   0.731
  388    HB3  LYS  50           HB3      LYS  50   5.795  13.219  -0.961
  389    HG2  LYS  50           HG2      LYS  50   4.462  11.207   0.815
  390    HG3  LYS  50           HG3      LYS  50   3.736  12.527  -0.113
  391    HD2  LYS  50           HD2      LYS  50   5.234  10.339  -1.478
  392    HD3  LYS  50           HD3      LYS  50   3.548  10.085  -0.985
  393    HE2  LYS  50           HE2      LYS  50   4.533  12.315  -2.766
  394    HE3  LYS  50           HE3      LYS  50   3.740  10.845  -3.325
  395    HZ1  LYS  50           HZ1      LYS  50   2.495  12.811  -1.478
  396    HZ2  LYS  50           HZ2      LYS  50   1.740  11.478  -2.212
  397    HZ3  LYS  50           HZ3      LYS  50   2.251  12.790  -3.153
  398    H    LYS  51           H        LYS  51   8.646  10.135  -1.991
  399    HA   LYS  51           HA       LYS  51   8.305  11.731  -4.412
  400    HB2  LYS  51           HB2      LYS  51  10.241   9.812  -3.286
  401    HB3  LYS  51           HB3      LYS  51  10.121   9.845  -5.047
  402    HG2  LYS  51           HG2      LYS  51  10.331  12.475  -3.770
  403    HG3  LYS  51           HG3      LYS  51  11.735  11.431  -3.554
  404    HD2  LYS  51           HD2      LYS  51  12.032  12.788  -5.527
  405    HD3  LYS  51           HD3      LYS  51  11.830  11.101  -5.995
  406    HE2  LYS  51           HE2      LYS  51   9.495  11.531  -6.557
  407    HE3  LYS  51           HE3      LYS  51   9.681  13.213  -6.060
  408    HZ1  LYS  51           HZ1      LYS  51  11.372  13.471  -7.793
  409    HZ2  LYS  51           HZ2      LYS  51   9.869  13.033  -8.441
  410    HZ3  LYS  51           HZ3      LYS  51  11.103  11.877  -8.301
  411    H    LYS  52           H        LYS  52   6.176   9.881  -3.437
  412    HA   LYS  52           HA       LYS  52   5.961   8.149  -5.760
  413    HB2  LYS  52           HB2      LYS  52   7.032   6.793  -4.015
  414    HB3  LYS  52           HB3      LYS  52   5.696   7.146  -2.921
  415    HG2  LYS  52           HG2      LYS  52   5.579   4.913  -3.985
  416    HG3  LYS  52           HG3      LYS  52   4.165   5.930  -4.271
  417    HD2  LYS  52           HD2      LYS  52   4.620   4.999  -6.359
  418    HD3  LYS  52           HD3      LYS  52   5.339   6.607  -6.445
  419    HE2  LYS  52           HE2      LYS  52   7.548   5.531  -5.782
  420    HE3  LYS  52           HE3      LYS  52   6.726   3.976  -6.021
  421    HZ1  LYS  52           HZ1      LYS  52   7.917   4.645  -8.023
  422    HZ2  LYS  52           HZ2      LYS  52   7.004   6.074  -8.108
  423    HZ3  LYS  52           HZ3      LYS  52   6.250   4.574  -8.305
  424    H    LYS  53           H        LYS  53   4.083   9.625  -6.375
  425    HA   LYS  53           HA       LYS  53   1.720   8.687  -4.925
  426    HB2  LYS  53           HB2      LYS  53   2.005  10.351  -7.425
  427    HB3  LYS  53           HB3      LYS  53   0.455   9.786  -6.815
  428    HG2  LYS  53           HG2      LYS  53   0.870  10.981  -4.714
  429    HG3  LYS  53           HG3      LYS  53   2.386  11.592  -5.381
  430    HD2  LYS  53           HD2      LYS  53  -0.369  12.111  -6.511
  431    HD3  LYS  53           HD3      LYS  53   0.577  13.249  -5.555
  432    HE2  LYS  53           HE2      LYS  53   1.043  13.967  -7.688
  433    HE3  LYS  53           HE3      LYS  53   2.380  12.855  -7.403
  434    HZ1  LYS  53           HZ1      LYS  53  -0.102  12.278  -8.926
  435    HZ2  LYS  53           HZ2      LYS  53   1.097  11.138  -8.581
  436    HZ3  LYS  53           HZ3      LYS  53   1.459  12.465  -9.567
  437    H    PHE  54           H        PHE  54   1.760   6.385  -5.189
  438    HA   PHE  54           HA       PHE  54   1.299   5.659  -7.984
  439    HB2  PHE  54           HB2      PHE  54   3.100   4.431  -6.236
  440    HB3  PHE  54           HB3      PHE  54   1.778   3.284  -6.491
  441    HD1  PHE  54           HD1      PHE  54   4.396   5.257  -8.151
  442    HD2  PHE  54           HD2      PHE  54   1.347   2.335  -8.654
  443    HE1  PHE  54           HE1      PHE  54   5.244   4.769 -10.407
  444    HE2  PHE  54           HE2      PHE  54   2.200   1.829 -10.906
  445    HZ   PHE  54           HZ       PHE  54   4.148   3.046 -11.786
  446    H    GLU  55           H        GLU  55   0.052   3.301  -7.948
  447    HA   GLU  55           HA       GLU  55  -2.515   3.907  -6.724
  448    HB2  GLU  55           HB2      GLU  55  -1.885   5.434  -8.861
  449    HB3  GLU  55           HB3      GLU  55  -2.554   4.040  -9.691
  450    HG2  GLU  55           HG2      GLU  55  -4.396   5.364  -9.494
  451    HG3  GLU  55           HG3      GLU  55  -4.554   4.383  -8.037
  452    H    THR  56           H        THR  56  -3.037   1.777  -6.240
  453    HA   THR  56           HA       THR  56  -2.861  -0.386  -8.057
  454    HB   THR  56           HB       THR  56  -5.065  -0.992  -6.596
  455    HG1  THR  56           HG1      THR  56  -5.048   1.116  -5.684
  456   HG21  THR  56          HG21      THR  56  -2.943  -2.240  -6.599
  457   HG22  THR  56          HG22      THR  56  -3.579  -2.026  -4.969
  458   HG23  THR  56          HG23      THR  56  -2.240  -1.024  -5.530
  459    H    LYS  57           H        LYS  57  -4.490  -1.283  -9.398
  460    HA   LYS  57           HA       LYS  57  -6.375   0.479 -10.584
  461    HB2  LYS  57           HB2      LYS  57  -5.428  -1.678 -11.575
  462    HB3  LYS  57           HB3      LYS  57  -6.558  -2.538 -10.539
  463    HG2  LYS  57           HG2      LYS  57  -8.428  -1.427 -11.631
  464    HG3  LYS  57           HG3      LYS  57  -7.305  -0.531 -12.655
  465    HD2  LYS  57           HD2      LYS  57  -8.121  -2.362 -13.940
  466    HD3  LYS  57           HD3      LYS  57  -6.458  -2.745 -13.491
  467    HE2  LYS  57           HE2      LYS  57  -7.277  -4.146 -11.660
  468    HE3  LYS  57           HE3      LYS  57  -8.939  -3.764 -12.110
  469    HZ1  LYS  57           HZ1      LYS  57  -6.967  -5.178 -13.829
  470    HZ2  LYS  57           HZ2      LYS  57  -8.576  -4.830 -14.243
  471    HZ3  LYS  57           HZ3      LYS  57  -8.240  -5.912 -12.980
  472    H    VAL  58           H        VAL  58  -8.675   0.438 -10.329
  473    HA   VAL  58           HA       VAL  58  -9.387   0.419  -7.561
  474    HB   VAL  58           HB       VAL  58 -11.249   0.793  -9.906
  475   HG11  VAL  58          HG11      VAL  58 -12.523   2.172  -8.340
  476   HG12  VAL  58          HG12      VAL  58 -12.339   0.522  -7.746
  477   HG13  VAL  58          HG13      VAL  58 -11.349   1.818  -7.071
  478   HG21  VAL  58          HG21      VAL  58  -9.353   2.261 -10.225
  479   HG22  VAL  58          HG22      VAL  58 -10.757   3.204  -9.722
  480   HG23  VAL  58          HG23      VAL  58  -9.481   2.835  -8.562
  481    H    HIS  59           H        HIS  59 -10.500  -1.085  -6.418
  482    HA   HIS  59           HA       HIS  59 -11.112  -3.574  -7.853
  483    HB2  HIS  59           HB2      HIS  59 -10.648  -3.107  -4.897
  484    HB3  HIS  59           HB3      HIS  59 -10.845  -4.671  -5.686
  485    HD1  HIS  59           HD1      HIS  59  -8.341  -2.132  -4.832
  486    HD2  HIS  59           HD2      HIS  59  -8.608  -5.395  -7.387
  487    HE1  HIS  59           HE1      HIS  59  -5.972  -2.691  -5.458
  488    HE2  HIS  59           HE2      HIS  59  -6.191  -4.480  -7.211
  489    H    ARG  60           H        ARG  60 -13.174  -3.008  -8.538
  490    HA   ARG  60           HA       ARG  60 -14.934  -1.535  -6.860
  491    HB2  ARG  60           HB2      ARG  60 -15.380  -2.956  -9.480
  492    HB3  ARG  60           HB3      ARG  60 -16.616  -2.008  -8.669
  493    HG2  ARG  60           HG2      ARG  60 -13.974  -0.991  -9.679
  494    HG3  ARG  60           HG3      ARG  60 -15.554  -0.722 -10.419
  495    HD2  ARG  60           HD2      ARG  60 -16.086   0.202  -7.972
  496    HD3  ARG  60           HD3      ARG  60 -14.344   0.483  -7.993
  497    HE   ARG  60           HE       ARG  60 -15.421   1.444 -10.407
  498   HH11  ARG  60          HH12      ARG  60 -15.489   2.283  -6.978
  499   HH12  ARG  60          HH11      ARG  60 -15.644   3.981  -7.292
  500   HH21  ARG  60          HH22      ARG  60 -15.635   3.673 -10.774
  501   HH22  ARG  60          HH21      ARG  60 -15.742   4.770  -9.427
  502    H    LYS  61           H        LYS  61 -16.142  -2.230  -5.329
  503    HA   LYS  61           HA       LYS  61 -17.718  -3.352  -4.184
  504    HB2  LYS  61           HB2      LYS  61 -18.174  -5.127  -6.574
  505    HB3  LYS  61           HB3      LYS  61 -19.322  -4.648  -5.333
  506    HG2  LYS  61           HG2      LYS  61 -18.248  -3.007  -7.603
  507    HG3  LYS  61           HG3      LYS  61 -19.924  -3.428  -7.244
  508    HD2  LYS  61           HD2      LYS  61 -20.056  -1.912  -5.493
  509    HD3  LYS  61           HD3      LYS  61 -18.304  -1.821  -5.309
  510    HE2  LYS  61           HE2      LYS  61 -18.450  -0.876  -7.766
  511    HE3  LYS  61           HE3      LYS  61 -20.090  -0.462  -7.260
  512    HZ1  LYS  61           HZ1      LYS  61 -19.032   0.602  -5.271
  513    HZ2  LYS  61           HZ2      LYS  61 -18.746   1.382  -6.742
  514    HZ3  LYS  61           HZ3      LYS  61 -17.535   0.419  -6.040
  515    H    THR  62           H        THR  62 -15.244  -4.101  -3.505
  516    HA   THR  62           HA       THR  62 -15.773  -6.770  -2.626
  517    HB   THR  62           HB       THR  62 -14.465  -7.898  -4.062
  518    HG1  THR  62           HG1      THR  62 -12.261  -6.221  -3.511
  519   HG21  THR  62          HG21      THR  62 -13.216  -6.857  -5.891
  520   HG22  THR  62          HG22      THR  62 -13.486  -5.271  -5.169
  521   HG23  THR  62          HG23      THR  62 -14.851  -6.210  -5.775
  522    H    LEU  63           H        LEU  63 -15.268  -6.660  -0.540
  523    HA   LEU  63           HA       LEU  63 -13.578  -4.602   0.496
  524    HB2  LEU  63           HB2      LEU  63 -14.515  -7.044   1.924
  525    HB3  LEU  63           HB3      LEU  63 -14.155  -5.470   2.558
  526    HG   LEU  63           HG       LEU  63 -16.502  -5.951   0.768
  527   HD11  LEU  63          HD11      LEU  63 -16.763  -7.262   2.819
  528   HD12  LEU  63          HD12      LEU  63 -16.416  -5.826   3.783
  529   HD13  LEU  63          HD13      LEU  63 -17.871  -5.890   2.788
  530   HD21  LEU  63          HD21      LEU  63 -15.656  -3.670   0.854
  531   HD22  LEU  63          HD22      LEU  63 -17.219  -3.796   1.664
  532   HD23  LEU  63          HD23      LEU  63 -15.737  -3.698   2.615
  533    H    ASN  64           H        ASN  64 -13.183  -7.771  -0.613
  534    HA   ASN  64           HA       ASN  64 -10.484  -7.924   0.535
  535    HB2  ASN  64           HB2      ASN  64 -12.328  -9.560   1.414
  536    HB3  ASN  64           HB3      ASN  64 -12.107 -10.358  -0.136
  537   HD21  ASN  64          HD21      ASN  64  -9.188  -9.864  -0.252
  538   HD22  ASN  64          HD22      ASN  64  -8.518 -10.923   0.925
  539    HA   PRO  65           HA       PRO  65 -10.324  -8.313  -4.005
  540    HB2  PRO  65           HB2      PRO  65  -8.770  -6.007  -4.282
  541    HB3  PRO  65           HB3      PRO  65 -10.507  -6.118  -4.589
  542    HG2  PRO  65           HG2      PRO  65  -9.251  -4.661  -2.517
  543    HG3  PRO  65           HG3      PRO  65 -10.963  -4.940  -2.735
  544    HD2  PRO  65           HD2      PRO  65  -9.028  -6.262  -0.950
  545    HD3  PRO  65           HD3      PRO  65 -10.781  -6.035  -0.758
  546    H    VAL  66           H        VAL  66  -8.648  -9.216  -4.978
  547    HA   VAL  66           HA       VAL  66  -6.030  -8.896  -3.731
  548    HB   VAL  66           HB       VAL  66  -5.965 -10.963  -3.004
  549   HG11  VAL  66          HG11      VAL  66  -7.724 -12.640  -3.400
  550   HG12  VAL  66          HG12      VAL  66  -8.399 -11.068  -2.977
  551   HG13  VAL  66          HG13      VAL  66  -8.419 -11.612  -4.654
  552   HG21  VAL  66          HG21      VAL  66  -4.695 -11.380  -5.034
  553   HG22  VAL  66          HG22      VAL  66  -5.597 -12.820  -4.562
  554   HG23  VAL  66          HG23      VAL  66  -6.169 -11.818  -5.896
  555    H    PHE  67           H        PHE  67  -4.839  -7.982  -4.970
  556    HA   PHE  67           HA       PHE  67  -5.344  -8.230  -7.850
  557    HB2  PHE  67           HB2      PHE  67  -5.257  -5.920  -6.685
  558    HB3  PHE  67           HB3      PHE  67  -3.508  -6.145  -6.747
  559    HD1  PHE  67           HD1      PHE  67  -2.641  -6.978  -9.125
  560    HD2  PHE  67           HD2      PHE  67  -6.229  -4.802  -8.465
  561    HE1  PHE  67           HE1      PHE  67  -2.591  -6.190 -11.451
  562    HE2  PHE  67           HE2      PHE  67  -6.192  -4.013 -10.791
  563    HZ   PHE  67           HZ       PHE  67  -4.442  -4.766 -12.311
  564    H    ASN  68           H        ASN  68  -2.997  -8.756  -5.392
  565    HA   ASN  68           HA       ASN  68  -0.741  -8.969  -5.363
  566    HB2  ASN  68           HB2      ASN  68  -1.096 -10.080  -8.171
  567    HB3  ASN  68           HB3      ASN  68   0.378 -10.180  -7.219
  568   HD21  ASN  68          HD21      ASN  68  -2.814 -11.427  -7.703
  569   HD22  ASN  68          HD22      ASN  68  -2.675 -12.768  -6.620
  570    H    GLU  69           H        GLU  69  -1.315  -6.568  -5.521
  571    HA   GLU  69           HA       GLU  69   0.574  -5.335  -7.336
  572    HB2  GLU  69           HB2      GLU  69  -1.649  -5.388  -8.563
  573    HB3  GLU  69           HB3      GLU  69  -2.288  -4.368  -7.275
  574    HG2  GLU  69           HG2      GLU  69  -0.616  -2.657  -7.840
  575    HG3  GLU  69           HG3      GLU  69  -0.111  -3.650  -9.209
  576    H    GLN  70           H        GLN  70   1.476  -4.874  -5.063
  577    HA   GLN  70           HA       GLN  70   0.585  -2.116  -4.812
  578    HB2  GLN  70           HB2      GLN  70   1.107  -3.438  -2.720
  579    HB3  GLN  70           HB3      GLN  70   2.776  -3.405  -3.204
  580    HG2  GLN  70           HG2      GLN  70   1.035  -1.152  -2.279
  581    HG3  GLN  70           HG3      GLN  70   2.576  -1.697  -1.632
  582   HE21  GLN  70          HE21      GLN  70   4.580  -1.055  -2.793
  583   HE22  GLN  70          HE22      GLN  70   4.491   0.322  -3.843
  584    H    PHE  71           H        PHE  71   1.819  -0.653  -5.728
  585    HA   PHE  71           HA       PHE  71   4.010  -1.606  -7.368
  586    HB2  PHE  71           HB2      PHE  71   1.673  -0.002  -8.083
  587    HB3  PHE  71           HB3      PHE  71   3.203   0.614  -8.697
  588    HD1  PHE  71           HD2      PHE  71   1.982  -2.877  -8.227
  589    HD2  PHE  71           HD1      PHE  71   3.292   0.127 -10.937
  590    HE1  PHE  71           HE2      PHE  71   1.916  -4.514 -10.066
  591    HE2  PHE  71           HE1      PHE  71   3.234  -1.500 -12.778
  592    HZ   PHE  71           HZ       PHE  71   2.545  -3.824 -12.346
  593    H    THR  72           H        THR  72   5.593  -1.031  -5.832
  594    HA   THR  72           HA       THR  72   7.482   0.077  -5.577
  595    HB   THR  72           HB       THR  72   7.636   0.497  -7.865
  596    HG1  THR  72           HG1      THR  72   8.700   1.902  -6.192
  597   HG21  THR  72          HG21      THR  72   6.610   2.363  -9.041
  598   HG22  THR  72          HG22      THR  72   5.760   2.848  -7.574
  599   HG23  THR  72          HG23      THR  72   5.364   1.317  -8.359
  600    H    PHE  73           H        PHE  73   8.240   1.223  -4.067
  601    HA   PHE  73           HA       PHE  73   6.968   3.783  -3.526
  602    HB2  PHE  73           HB2      PHE  73   8.648   1.998  -1.771
  603    HB3  PHE  73           HB3      PHE  73   8.432   3.700  -1.400
  604    HD1  PHE  73           HD1      PHE  73   6.625   0.493  -1.807
  605    HD2  PHE  73           HD2      PHE  73   6.521   4.467  -0.300
  606    HE1  PHE  73           HE1      PHE  73   4.594  -0.046  -0.523
  607    HE2  PHE  73           HE2      PHE  73   4.491   3.938   0.980
  608    HZ   PHE  73           HZ       PHE  73   3.526   1.676   0.875
  609    H    LYS  74           H        LYS  74   8.107   5.488  -4.291
  610    HA   LYS  74           HA       LYS  74  10.646   5.145  -5.530
  611    HB2  LYS  74           HB2      LYS  74   8.752   7.408  -5.219
  612    HB3  LYS  74           HB3      LYS  74  10.423   7.780  -5.603
  613    HG2  LYS  74           HG2      LYS  74   8.575   6.042  -7.202
  614    HG3  LYS  74           HG3      LYS  74   9.053   7.700  -7.573
  615    HD2  LYS  74           HD2      LYS  74  10.879   5.290  -7.428
  616    HD3  LYS  74           HD3      LYS  74  10.330   6.081  -8.903
  617    HE2  LYS  74           HE2      LYS  74  11.508   8.119  -8.261
  618    HE3  LYS  74           HE3      LYS  74  12.016   7.357  -6.752
  619    HZ1  LYS  74           HZ1      LYS  74  13.501   5.999  -7.830
  620    HZ2  LYS  74           HZ2      LYS  74  13.618   7.400  -8.772
  621    HZ3  LYS  74           HZ3      LYS  74  12.697   6.083  -9.317
  622    H    VAL  75           H        VAL  75  11.744   4.484  -3.599
  623    HA   VAL  75           HA       VAL  75  13.203   6.812  -2.702
  624    HB   VAL  75           HB       VAL  75  11.701   6.409  -0.825
  625   HG11  VAL  75          HG11      VAL  75  11.743   4.332   0.444
  626   HG12  VAL  75          HG12      VAL  75  11.195   4.061  -1.210
  627   HG13  VAL  75          HG13      VAL  75  12.838   3.620  -0.741
  628   HG21  VAL  75          HG21      VAL  75  14.524   5.537  -0.266
  629   HG22  VAL  75          HG22      VAL  75  13.912   7.190  -0.301
  630   HG23  VAL  75          HG23      VAL  75  13.365   6.076   0.950
  631    HA   PRO  76           HA       PRO  76  16.616   4.035  -3.834
  632    HB2  PRO  76           HB2      PRO  76  17.796   6.472  -2.504
  633    HB3  PRO  76           HB3      PRO  76  18.423   5.535  -3.876
  634    HG2  PRO  76           HG2      PRO  76  17.193   7.713  -4.486
  635    HG3  PRO  76           HG3      PRO  76  16.625   6.200  -5.270
  636    HD2  PRO  76           HD2      PRO  76  15.470   7.592  -2.838
  637    HD3  PRO  76           HD3      PRO  76  14.627   7.087  -4.327
  638    H    TYR  77           H        TYR  77  18.029   2.844  -2.549
  639    HA   TYR  77           HA       TYR  77  16.925   2.310   0.026
  640    HB2  TYR  77           HB2      TYR  77  17.841   0.623  -1.569
  641    HB3  TYR  77           HB3      TYR  77  19.467   1.197  -1.161
  642    HD1  TYR  77           HD2      TYR  77  16.542  -0.661   0.007
  643    HD2  TYR  77           HD1      TYR  77  20.443   0.696   1.028
  644    HE1  TYR  77           HE2      TYR  77  16.583  -2.222   1.905
  645    HE2  TYR  77           HE1      TYR  77  20.495  -0.864   2.928
  646    HH   TYR  77           HH       TYR  77  18.802  -2.034   4.401
  647    H    SER  78           H        SER  78  19.885   3.858  -1.136
  648    HA   SER  78           HA       SER  78  21.040   4.494   1.332
  649    HB2  SER  78           HB2      SER  78  22.110   4.851  -0.897
  650    HB3  SER  78           HB3      SER  78  21.020   6.209  -1.167
  651    HG   SER  78           HG       SER  78  22.837   5.993   1.015
  652    H    GLU  79           H        GLU  79  18.358   5.898  -0.396
  653    HA   GLU  79           HA       GLU  79  18.127   8.199   1.340
  654    HB2  GLU  79           HB2      GLU  79  16.701   7.268  -1.117
  655    HB3  GLU  79           HB3      GLU  79  15.908   8.421  -0.056
  656    HG2  GLU  79           HG2      GLU  79  18.019   9.826  -0.290
  657    HG3  GLU  79           HG3      GLU  79  18.428   8.756  -1.634
  658    H    LEU  80           H        LEU  80  17.046   5.000   1.169
  659    HA   LEU  80           HA       LEU  80  14.494   5.151   2.238
  660    HB2  LEU  80           HB2      LEU  80  14.971   3.056   1.419
  661    HB3  LEU  80           HB3      LEU  80  16.620   3.084   2.002
  662    HG   LEU  80           HG       LEU  80  14.502   2.796   4.088
  663   HD11  LEU  80          HD11      LEU  80  15.213   0.613   2.130
  664   HD12  LEU  80          HD12      LEU  80  14.317   0.391   3.631
  665   HD13  LEU  80          HD13      LEU  80  13.630   1.363   2.331
  666   HD21  LEU  80          HD21      LEU  80  16.860   2.771   4.695
  667   HD22  LEU  80          HD22      LEU  80  16.143   1.180   4.965
  668   HD23  LEU  80          HD23      LEU  80  17.161   1.462   3.552
  669    H    GLY  81           H        GLY  81  17.669   5.111   3.711
  670    HA2  GLY  81           HA3      GLY  81  17.257   4.767   6.350
  671    HA3  GLY  81           HA2      GLY  81  18.339   5.994   5.712
  672    H    GLY  82           H        GLY  82  16.570   7.884   4.719
  673    HA2  GLY  82           HA3      GLY  82  15.645   9.154   7.092
  674    HA3  GLY  82           HA2      GLY  82  15.395   9.719   5.455
  675    H    LYS  83           H        LYS  83  13.868   7.108   4.791
  676    HA   LYS  83           HA       LYS  83  11.479   8.811   5.211
  677    HB2  LYS  83           HB2      LYS  83  11.547   6.775   3.044
  678    HB3  LYS  83           HB3      LYS  83  10.793   8.359   3.066
  679    HG2  LYS  83           HG2      LYS  83  13.754   7.876   2.821
  680    HG3  LYS  83           HG3      LYS  83  12.659   8.150   1.467
  681    HD2  LYS  83           HD2      LYS  83  12.096  10.355   2.397
  682    HD3  LYS  83           HD3      LYS  83  13.239  10.076   3.714
  683    HE2  LYS  83           HE2      LYS  83  14.171  11.465   1.882
  684    HE3  LYS  83           HE3      LYS  83  15.080   9.981   2.170
  685    HZ1  LYS  83           HZ1      LYS  83  13.047  10.338   0.019
  686    HZ2  LYS  83           HZ2      LYS  83  14.021   8.977   0.271
  687    HZ3  LYS  83           HZ3      LYS  83  14.728  10.438  -0.206
  688    H    THR  84           H        THR  84   9.637   7.920   6.184
  689    HA   THR  84           HA       THR  84   9.689   5.004   6.590
  690    HB   THR  84           HB       THR  84   8.121   5.265   8.346
  691    HG1  THR  84           HG1      THR  84   6.983   6.987   6.848
  692   HG21  THR  84          HG21      THR  84   9.774   7.790   8.449
  693   HG22  THR  84          HG22      THR  84  10.259   6.201   9.046
  694   HG23  THR  84          HG23      THR  84   8.924   7.063   9.813
  695    H    LEU  85           H        LEU  85   8.357   3.829   5.357
  696    HA   LEU  85           HA       LEU  85   6.822   5.222   3.333
  697    HB2  LEU  85           HB2      LEU  85   7.600   2.340   3.696
  698    HB3  LEU  85           HB3      LEU  85   6.536   2.875   2.413
  699    HG   LEU  85           HG       LEU  85   8.328   4.304   1.529
  700   HD11  LEU  85          HD11      LEU  85   9.569   4.684   3.618
  701   HD12  LEU  85          HD12      LEU  85  10.075   2.993   3.613
  702   HD13  LEU  85          HD13      LEU  85  10.611   4.079   2.329
  703   HD21  LEU  85          HD21      LEU  85   9.082   1.419   1.926
  704   HD22  LEU  85          HD22      LEU  85   8.012   2.063   0.677
  705   HD23  LEU  85          HD23      LEU  85   9.724   2.489   0.678
  706    H    VAL  86           H        VAL  86   4.684   5.305   3.182
  707    HA   VAL  86           HA       VAL  86   3.166   3.599   5.037
  708    HB   VAL  86           HB       VAL  86   1.448   5.432   5.215
  709   HG11  VAL  86          HG11      VAL  86   4.183   5.902   6.417
  710   HG12  VAL  86          HG12      VAL  86   2.671   6.588   7.013
  711   HG13  VAL  86          HG13      VAL  86   2.926   4.844   7.059
  712   HG21  VAL  86          HG21      VAL  86   2.170   6.852   3.392
  713   HG22  VAL  86          HG22      VAL  86   2.304   7.742   4.908
  714   HG23  VAL  86          HG23      VAL  86   3.748   7.077   4.148
  715    H    MET  87           H        MET  87   1.372   2.723   4.364
  716    HA   MET  87           HA       MET  87   0.556   3.202   1.583
  717    HB2  MET  87           HB2      MET  87   0.235   0.901   1.227
  718    HB3  MET  87           HB3      MET  87   1.726   0.974   2.152
  719    HG2  MET  87           HG2      MET  87   0.638  -0.758   3.162
  720    HG3  MET  87           HG3      MET  87   0.193   0.595   4.198
  721    HE1  MET  87           HE1      MET  87  -1.155  -0.153   0.615
  722    HE2  MET  87           HE2      MET  87  -0.996  -1.775   1.288
  723    HE3  MET  87           HE3      MET  87  -2.596  -1.114   0.951
  724    H    ALA  88           H        ALA  88  -1.707   3.192   1.170
  725    HA   ALA  88           HA       ALA  88  -3.424   3.321   3.554
  726    HB1  ALA  88           HB1      ALA  88  -2.972   5.595   3.381
  727    HB2  ALA  88           HB2      ALA  88  -2.885   5.538   1.616
  728    HB3  ALA  88           HB3      ALA  88  -4.461   5.412   2.424
  729    H    VAL  89           H        VAL  89  -4.783   1.639   2.946
  730    HA   VAL  89           HA       VAL  89  -5.762   1.554   0.246
  731    HB   VAL  89           HB       VAL  89  -6.918   0.100   2.632
  732   HG11  VAL  89          HG11      VAL  89  -7.734  -1.469   0.931
  733   HG12  VAL  89          HG12      VAL  89  -8.367   0.155   0.667
  734   HG13  VAL  89          HG13      VAL  89  -7.048  -0.450  -0.335
  735   HG21  VAL  89          HG21      VAL  89  -4.524  -0.381   2.397
  736   HG22  VAL  89          HG22      VAL  89  -5.511  -1.783   1.985
  737   HG23  VAL  89          HG23      VAL  89  -4.782  -0.814   0.705
  738    H    TYR  90           H        TYR  90  -7.149   2.923  -0.488
  739    HA   TYR  90           HA       TYR  90  -9.029   4.284   1.301
  740    HB2  TYR  90           HB2      TYR  90  -7.392   5.144  -1.033
  741    HB3  TYR  90           HB3      TYR  90  -9.030   5.767  -0.971
  742    HD1  TYR  90           HD2      TYR  90  -5.930   5.496   1.060
  743    HD2  TYR  90           HD1      TYR  90  -9.471   7.710   0.253
  744    HE1  TYR  90           HE2      TYR  90  -5.176   7.248   2.609
  745    HE2  TYR  90           HE1      TYR  90  -8.729   9.465   1.810
  746    HH   TYR  90           HH       TYR  90  -5.555   9.648   3.004
  747    H    ASP  91           H        ASP  91 -11.151   4.162   0.744
  748    HA   ASP  91           HA       ASP  91 -11.786   2.451  -1.574
  749    HB2  ASP  91           HB2      ASP  91 -12.759   1.818   0.551
  750    HB3  ASP  91           HB3      ASP  91 -13.401   3.440   0.784
  751    H    PHE  92           H        PHE  92 -12.036   3.793  -3.420
  752    HA   PHE  92           HA       PHE  92 -12.792   6.526  -2.600
  753    HB2  PHE  92           HB2      PHE  92 -11.549   7.455  -4.244
  754    HB3  PHE  92           HB3      PHE  92 -10.681   5.940  -4.114
  755    HD1  PHE  92           HD1      PHE  92 -11.167   4.138  -5.823
  756    HD2  PHE  92           HD2      PHE  92 -12.505   8.155  -6.231
  757    HE1  PHE  92           HE1      PHE  92 -11.463   3.796  -8.237
  758    HE2  PHE  92           HE2      PHE  92 -12.808   7.815  -8.649
  759    HZ   PHE  92           HZ       PHE  92 -12.285   5.631  -9.653
  760    H    ASP  93           H        ASP  93 -15.051   6.071  -2.286
  761    HA   ASP  93           HA       ASP  93 -16.333   5.828  -4.929
  762    HB2  ASP  93           HB2      ASP  93 -17.001   3.920  -3.940
  763    HB3  ASP  93           HB3      ASP  93 -16.631   4.555  -2.325
  764    H    ARG  94           H        ARG  94 -16.715   7.319  -1.726
  765    HA   ARG  94           HA       ARG  94 -18.304   8.910  -0.998
  766    HB2  ARG  94           HB2      ARG  94 -15.868   9.869  -2.185
  767    HB3  ARG  94           HB3      ARG  94 -17.132  11.099  -2.234
  768    HG2  ARG  94           HG2      ARG  94 -17.558  10.672   0.172
  769    HG3  ARG  94           HG3      ARG  94 -16.167   9.593   0.180
  770    HD2  ARG  94           HD2      ARG  94 -14.710  11.452  -0.428
  771    HD3  ARG  94           HD3      ARG  94 -16.105  12.535  -0.485
  772    HE   ARG  94           HE       ARG  94 -16.400  11.902   1.948
  773   HH11  ARG  94          HH12      ARG  94 -13.257  11.967   0.392
  774   HH12  ARG  94          HH11      ARG  94 -12.387  12.217   1.877
  775   HH21  ARG  94          HH22      ARG  94 -15.272  12.250   3.881
  776   HH22  ARG  94          HH21      ARG  94 -13.541  12.406   3.870
  777    H    PHE  95           H        PHE  95 -17.485   9.939  -4.054
  778    HA   PHE  95           HA       PHE  95 -19.703   9.174  -5.548
  779    HB2  PHE  95           HB2      PHE  95 -20.809  11.244  -4.926
  780    HB3  PHE  95           HB3      PHE  95 -19.291  12.135  -4.949
  781    HD1  PHE  95           HD2      PHE  95 -21.393  10.113  -7.291
  782    HD2  PHE  95           HD1      PHE  95 -18.938  13.543  -6.717
  783    HE1  PHE  95           HE2      PHE  95 -21.823  10.812  -9.610
  784    HE2  PHE  95           HE1      PHE  95 -19.366  14.244  -9.033
  785    HZ   PHE  95           HZ       PHE  95 -20.812  12.877 -10.482
  786    H    SER  96           H        SER  96 -17.200  11.199  -4.735
  787    HA   SER  96           HA       SER  96 -15.361  10.684  -6.931
  788    HB2  SER  96           HB2      SER  96 -14.038  12.486  -5.782
  789    HB3  SER  96           HB3      SER  96 -15.642  13.024  -6.273
  790    HG   SER  96           HG       SER  96 -14.597  13.080  -3.847
  791    H    LYS  97           H        LYS  97 -13.005  10.996  -5.185
  792    HA   LYS  97           HA       LYS  97 -12.707   8.432  -4.095
  793    HB2  LYS  97           HB2      LYS  97 -10.730   9.424  -2.898
  794    HB3  LYS  97           HB3      LYS  97 -10.748   9.664  -4.638
  795    HG2  LYS  97           HG2      LYS  97 -11.590  11.947  -4.301
  796    HG3  LYS  97           HG3      LYS  97 -11.520  11.696  -2.555
  797    HD2  LYS  97           HD2      LYS  97  -9.107  11.354  -4.313
  798    HD3  LYS  97           HD3      LYS  97  -9.563  12.923  -3.645
  799    HE2  LYS  97           HE2      LYS  97  -9.112  10.449  -1.983
  800    HE3  LYS  97           HE3      LYS  97  -7.862  11.649  -2.310
  801    HZ1  LYS  97           HZ1      LYS  97  -9.195  13.321  -1.221
  802    HZ2  LYS  97           HZ2      LYS  97  -8.969  12.014  -0.171
  803    HZ3  LYS  97           HZ3      LYS  97 -10.454  12.217  -0.967
  804    H    HIS  98           H        HIS  98 -13.666   7.573  -2.482
  805    HA   HIS  98           HA       HIS  98 -14.752   8.957  -0.219
  806    HB2  HIS  98           HB2      HIS  98 -15.597   6.716  -1.381
  807    HB3  HIS  98           HB3      HIS  98 -14.521   5.982  -0.204
  808    HD1  HIS  98           HD1      HIS  98 -17.816   6.004  -0.412
  809    HD2  HIS  98           HD2      HIS  98 -15.365   7.923   2.364
  810    HE1  HIS  98           HE1      HIS  98 -19.260   6.440   1.596
  811    HE2  HIS  98           HE2      HIS  98 -17.799   7.716   3.207
  812    H    ASP  99           H        ASP  99 -14.160   8.634   1.888
  813    HA   ASP  99           HA       ASP  99 -11.425   9.055   2.368
  814    HB2  ASP  99           HB2      ASP  99 -13.384  10.017   3.647
  815    HB3  ASP  99           HB3      ASP  99 -13.548   8.436   4.411
  816    H    ILE 100           H        ILE 100 -10.005   7.888   3.708
  817    HA   ILE 100           HA       ILE 100  -9.571   5.347   2.726
  818    HB   ILE 100           HB       ILE 100  -7.824   6.863   3.416
  819   HG12  ILE 100          HG12      ILE 100  -7.834   4.391   5.146
  820   HG13  ILE 100          HG13      ILE 100  -7.338   4.485   3.461
  821   HG21  ILE 100          HG21      ILE 100  -7.366   7.334   5.781
  822   HG22  ILE 100          HG22      ILE 100  -8.929   7.965   5.264
  823   HG23  ILE 100          HG23      ILE 100  -8.848   6.488   6.226
  824   HD11  ILE 100          HD11      ILE 100  -5.425   4.450   4.984
  825   HD12  ILE 100          HD12      ILE 100  -5.497   5.947   4.053
  826   HD13  ILE 100          HD13      ILE 100  -6.011   5.931   5.741
  827    H    ILE 101           H        ILE 101  -9.879   3.383   3.407
  828    HA   ILE 101           HA       ILE 101 -11.618   2.803   5.621
  829    HB   ILE 101           HB       ILE 101 -11.629   0.514   4.835
  830   HG12  ILE 101          HG12      ILE 101  -9.363   1.442   3.111
  831   HG13  ILE 101          HG13      ILE 101  -9.511  -0.017   4.080
  832   HG21  ILE 101          HG21      ILE 101 -13.163   2.048   3.800
  833   HG22  ILE 101          HG22      ILE 101 -11.948   2.513   2.609
  834   HG23  ILE 101          HG23      ILE 101 -12.602   0.875   2.610
  835   HD11  ILE 101          HD11      ILE 101 -11.123  -0.928   2.488
  836   HD12  ILE 101          HD12      ILE 101 -10.953   0.518   1.493
  837   HD13  ILE 101          HD13      ILE 101  -9.577  -0.561   1.725
  838    H    GLY 102           H        GLY 102  -8.292   2.165   4.634
  839    HA2  GLY 102           HA3      GLY 102  -7.392   1.930   7.329
  840    HA3  GLY 102           HA2      GLY 102  -7.481   0.366   6.528
  841    H    GLU 103           H        GLU 103  -5.088   0.638   7.115
  842    HA   GLU 103           HA       GLU 103  -3.475   1.739   5.001
  843    HB2  GLU 103           HB2      GLU 103  -2.436   3.519   6.224
  844    HB3  GLU 103           HB3      GLU 103  -4.176   3.780   6.333
  845    HG2  GLU 103           HG2      GLU 103  -4.276   3.120   8.541
  846    HG3  GLU 103           HG3      GLU 103  -2.756   2.221   8.438
  847    H    PHE 104           H        PHE 104  -1.127   1.530   5.625
  848    HA   PHE 104           HA       PHE 104  -0.580  -0.149   7.923
  849    HB2  PHE 104           HB2      PHE 104  -1.185  -1.691   5.949
  850    HB3  PHE 104           HB3      PHE 104   0.381  -1.211   5.288
  851    HD1  PHE 104           HD1      PHE 104  -0.944  -2.120   8.649
  852    HD2  PHE 104           HD2      PHE 104   2.053  -2.744   5.697
  853    HE1  PHE 104           HE1      PHE 104   0.169  -3.729  10.132
  854    HE2  PHE 104           HE2      PHE 104   3.167  -4.360   7.178
  855    HZ   PHE 104           HZ       PHE 104   2.230  -4.853   9.398
  856    H    LYS 105           H        LYS 105   1.845  -0.511   8.073
  857    HA   LYS 105           HA       LYS 105   3.198   1.905   7.090
  858    HB2  LYS 105           HB2      LYS 105   3.056   0.709   9.791
  859    HB3  LYS 105           HB3      LYS 105   4.643   1.265   9.286
  860    HG2  LYS 105           HG2      LYS 105   3.828   3.115  10.346
  861    HG3  LYS 105           HG3      LYS 105   3.375   3.456   8.677
  862    HD2  LYS 105           HD2      LYS 105   1.122   2.755   9.084
  863    HD3  LYS 105           HD3      LYS 105   1.547   2.173  10.697
  864    HE2  LYS 105           HE2      LYS 105   2.219   4.523  11.260
  865    HE3  LYS 105           HE3      LYS 105   1.521   5.022   9.720
  866    HZ1  LYS 105           HZ1      LYS 105   0.040   3.626  11.879
  867    HZ2  LYS 105           HZ2      LYS 105  -0.617   4.230  10.430
  868    HZ3  LYS 105           HZ3      LYS 105  -0.003   5.297  11.601
  869    H    VAL 106           H        VAL 106   5.166   1.708   6.236
  870    HA   VAL 106           HA       VAL 106   6.645  -0.806   6.614
  871    HB   VAL 106           HB       VAL 106   6.756   0.725   4.024
  872   HG11  VAL 106          HG11      VAL 106   8.577  -0.788   4.463
  873   HG12  VAL 106          HG12      VAL 106   7.447  -2.113   4.746
  874   HG13  VAL 106          HG13      VAL 106   7.592  -1.405   3.137
  875   HG21  VAL 106          HG21      VAL 106   4.875  -1.556   4.601
  876   HG22  VAL 106          HG22      VAL 106   4.428   0.109   4.228
  877   HG23  VAL 106          HG23      VAL 106   5.208  -0.891   3.003
  878    HA   PRO 107           HA       PRO 107   9.142   2.880   7.421
  879    HB2  PRO 107           HB2      PRO 107  10.322   2.011   9.725
  880    HB3  PRO 107           HB3      PRO 107   8.794   2.899   9.655
  881    HG2  PRO 107           HG2      PRO 107   9.292   0.117  10.297
  882    HG3  PRO 107           HG3      PRO 107   7.809   1.055  10.527
  883    HD2  PRO 107           HD2      PRO 107   8.475  -0.847   8.439
  884    HD3  PRO 107           HD3      PRO 107   6.918  -0.046   8.744
  885    H    MET 108           H        MET 108  11.011   3.193   6.720
  886    HA   MET 108           HA       MET 108  12.216   1.349   5.043
  887    HB2  MET 108           HB2      MET 108  13.906   3.144   4.876
  888    HB3  MET 108           HB3      MET 108  12.272   3.752   4.709
  889    HG2  MET 108           HG2      MET 108  14.212   4.132   6.958
  890    HG3  MET 108           HG3      MET 108  13.295   5.301   6.035
  891    HE1  MET 108           HE1      MET 108  13.494   6.012   8.955
  892    HE2  MET 108           HE2      MET 108  12.406   6.836   7.837
  893    HE3  MET 108           HE3      MET 108  11.810   6.285   9.404
  894    H    ASN 109           H        ASN 109  13.020   2.555   8.221
  895    HA   ASN 109           HA       ASN 109  15.705   1.514   8.064
  896    HB2  ASN 109           HB2      ASN 109  14.204   2.843  10.291
  897    HB3  ASN 109           HB3      ASN 109  15.793   2.122  10.563
  898   HD21  ASN 109          HD21      ASN 109  14.024   4.514   8.796
  899   HD22  ASN 109          HD22      ASN 109  15.364   5.475   8.234
  900    H    THR 110           H        THR 110  12.759   0.108   8.954
  901    HA   THR 110           HA       THR 110  14.095  -1.892  10.632
  902    HB   THR 110           HB       THR 110  11.785  -2.777  11.012
  903    HG1  THR 110           HG1      THR 110  11.167  -1.362   8.925
  904   HG21  THR 110          HG21      THR 110  12.789  -1.201  12.586
  905   HG22  THR 110          HG22      THR 110  11.054  -0.920  12.444
  906   HG23  THR 110          HG23      THR 110  12.189   0.153  11.628
  907    H    VAL 111           H        VAL 111  12.696  -1.463   7.478
  908    HA   VAL 111           HA       VAL 111  12.781  -4.335   6.992
  909    HB   VAL 111           HB       VAL 111  11.823  -2.277   5.022
  910   HG11  VAL 111          HG11      VAL 111  11.284  -5.226   5.357
  911   HG12  VAL 111          HG12      VAL 111  10.579  -4.190   4.117
  912   HG13  VAL 111          HG13      VAL 111  12.317  -4.489   4.132
  913   HG21  VAL 111          HG21      VAL 111   9.543  -2.749   5.818
  914   HG22  VAL 111          HG22      VAL 111  10.213  -3.717   7.131
  915   HG23  VAL 111          HG23      VAL 111  10.529  -1.982   7.064
  916    H    ASP 112           H        ASP 112  14.652  -5.122   6.347
  917    HA   ASP 112           HA       ASP 112  16.432  -3.636   4.635
  918    HB2  ASP 112           HB2      ASP 112  17.907  -5.528   4.713
  919    HB3  ASP 112           HB3      ASP 112  17.277  -5.287   6.336
  920    H    PHE 113           H        PHE 113  16.107  -3.421   2.546
  921    HA   PHE 113           HA       PHE 113  14.512  -5.439   1.126
  922    HB2  PHE 113           HB2      PHE 113  14.927  -2.501   0.676
  923    HB3  PHE 113           HB3      PHE 113  14.355  -3.545  -0.618
  924    HD1  PHE 113           HD2      PHE 113  12.240  -4.929  -0.146
  925    HD2  PHE 113           HD1      PHE 113  13.441  -1.575   2.183
  926    HE1  PHE 113           HE2      PHE 113   9.949  -4.720   0.728
  927    HE2  PHE 113           HE1      PHE 113  11.155  -1.362   3.064
  928    HZ   PHE 113           HZ       PHE 113   9.362  -2.818   2.187
  929    H    GLY 114           H        GLY 114  16.715  -6.617   1.170
  930    HA2  GLY 114           HA3      GLY 114  18.665  -5.682  -0.728
  931    HA3  GLY 114           HA2      GLY 114  18.609  -7.283   0.003
  932    H    HIS 115           H        HIS 115  16.455  -8.466  -0.751
  933    HA   HIS 115           HA       HIS 115  16.121  -8.029  -3.626
  934    HB2  HIS 115           HB2      HIS 115  16.607 -10.596  -2.198
  935    HB3  HIS 115           HB3      HIS 115  15.525 -10.610  -3.587
  936    HD1  HIS 115           HD1      HIS 115  17.075  -8.504  -5.317
  937    HD2  HIS 115           HD2      HIS 115  18.808 -11.760  -3.380
  938    HE1  HIS 115           HE1      HIS 115  19.206  -8.986  -6.562
  939    HE2  HIS 115           HE2      HIS 115  20.192 -11.013  -5.441
  940    H    VAL 116           H        VAL 116  14.311 -10.530  -2.088
  941    HA   VAL 116           HA       VAL 116  11.934  -8.829  -2.390
  942    HB   VAL 116           HB       VAL 116  10.669 -10.975  -2.761
  943   HG11  VAL 116          HG11      VAL 116  12.825 -10.285  -4.747
  944   HG12  VAL 116          HG12      VAL 116  11.349 -11.184  -5.101
  945   HG13  VAL 116          HG13      VAL 116  11.254  -9.497  -4.596
  946   HG21  VAL 116          HG21      VAL 116  11.937 -12.935  -3.499
  947   HG22  VAL 116          HG22      VAL 116  13.444 -12.114  -3.092
  948   HG23  VAL 116          HG23      VAL 116  12.296 -12.532  -1.820
  949    H    THR 117           H        THR 117  10.978  -8.319  -0.609
  950    HA   THR 117           HA       THR 117  11.172  -9.984   1.772
  951    HB   THR 117           HB       THR 117   9.972  -7.240   1.363
  952    HG1  THR 117           HG1      THR 117  12.429  -8.246   2.357
  953   HG21  THR 117          HG21      THR 117   8.852  -8.435   3.198
  954   HG22  THR 117          HG22      THR 117   9.856  -7.121   3.808
  955   HG23  THR 117          HG23      THR 117  10.419  -8.788   3.924
  956    H    GLU 118           H        GLU 118   9.643 -11.334   2.389
  957    HA   GLU 118           HA       GLU 118   6.917 -11.089   1.276
  958    HB2  GLU 118           HB2      GLU 118   8.317 -13.494   2.484
  959    HB3  GLU 118           HB3      GLU 118   6.661 -13.480   1.888
  960    HG2  GLU 118           HG2      GLU 118   7.419 -13.066  -0.357
  961    HG3  GLU 118           HG3      GLU 118   9.089 -12.908   0.198
  962    H    GLU 119           H        GLU 119   5.106 -10.889   3.012
  963    HA   GLU 119           HA       GLU 119   6.574  -9.718   5.239
  964    HB2  GLU 119           HB2      GLU 119   5.659  -7.418   4.307
  965    HB3  GLU 119           HB3      GLU 119   7.215  -8.071   3.813
  966    HG2  GLU 119           HG2      GLU 119   6.288  -7.478   1.807
  967    HG3  GLU 119           HG3      GLU 119   5.869  -9.182   1.942
  968    H    TRP 120           H        TRP 120   5.227  -7.911   6.079
  969    HA   TRP 120           HA       TRP 120   3.538  -9.388   7.720
  970    HB2  TRP 120           HB2      TRP 120   3.288  -6.977   8.682
  971    HB3  TRP 120           HB3      TRP 120   4.859  -7.779   8.781
  972    HD1  TRP 120           HD1      TRP 120   6.090  -5.383   8.887
  973    HE1  TRP 120           HE1      TRP 120   6.703  -3.647   7.090
  974    HE3  TRP 120           HE3      TRP 120   3.063  -6.975   5.039
  975    HZ2  TRP 120           HZ2      TRP 120   6.011  -3.030   4.427
  976    HZ3  TRP 120           HZ3      TRP 120   3.093  -5.796   2.891
  977    HH2  TRP 120           HH2      TRP 120   4.551  -3.821   2.609
  978    H    ARG 121           H        ARG 121   1.647  -9.818   6.337
  979    HA   ARG 121           HA       ARG 121   0.188  -7.626   5.589
  980    HB2  ARG 121           HB2      ARG 121  -0.860  -9.471   4.622
  981    HB3  ARG 121           HB3      ARG 121   0.733  -9.989   4.867
  982    HG2  ARG 121           HG2      ARG 121  -1.595 -10.784   6.587
  983    HG3  ARG 121           HG3      ARG 121  -0.793 -11.779   5.369
  984    HD2  ARG 121           HD2      ARG 121   0.517 -10.614   7.825
  985    HD3  ARG 121           HD3      ARG 121  -0.047 -12.293   7.677
  986    HE   ARG 121           HE       ARG 121   1.710 -11.786   5.547
  987   HH11  ARG 121          HH12      ARG 121   1.890 -11.864   9.051
  988   HH12  ARG 121          HH11      ARG 121   3.526 -12.450   9.076
  989   HH21  ARG 121          HH22      ARG 121   3.845 -12.576   5.585
  990   HH22  ARG 121          HH21      ARG 121   4.626 -12.892   7.111
  991    H    ASP 122           H        ASP 122  -0.178  -6.515   7.603
  992    HA   ASP 122           HA       ASP 122  -2.888  -7.198   8.406
  993    HB2  ASP 122           HB2      ASP 122  -0.843  -5.447   9.772
  994    HB3  ASP 122           HB3      ASP 122  -2.567  -5.190  10.020
  995    H    LEU 123           H        LEU 123  -4.430  -5.769   7.573
  996    HA   LEU 123           HA       LEU 123  -3.325  -3.313   6.408
  997    HB2  LEU 123           HB2      LEU 123  -5.353  -4.941   5.438
  998    HB3  LEU 123           HB3      LEU 123  -6.231  -3.706   6.339
  999    HG   LEU 123           HG       LEU 123  -6.095  -3.004   4.051
 1000   HD11  LEU 123          HD11      LEU 123  -4.897  -0.893   4.232
 1001   HD12  LEU 123          HD12      LEU 123  -5.803  -1.242   5.704
 1002   HD13  LEU 123          HD13      LEU 123  -4.055  -1.483   5.664
 1003   HD21  LEU 123          HD21      LEU 123  -3.112  -3.402   4.252
 1004   HD22  LEU 123          HD22      LEU 123  -4.231  -4.386   3.310
 1005   HD23  LEU 123          HD23      LEU 123  -3.959  -2.695   2.881
 1006    H    GLN 124           H        GLN 124  -3.407  -1.649   7.897
 1007    HA   GLN 124           HA       GLN 124  -4.792  -2.329  10.369
 1008    HB2  GLN 124           HB2      GLN 124  -3.090  -1.457  11.501
 1009    HB3  GLN 124           HB3      GLN 124  -2.225  -1.412   9.975
 1010    HG2  GLN 124           HG2      GLN 124  -3.073   0.908   9.650
 1011    HG3  GLN 124           HG3      GLN 124  -3.745   0.832  11.277
 1012   HE21  GLN 124          HE21      GLN 124  -0.742  -0.684  10.382
 1013   HE22  GLN 124          HE22      GLN 124   0.291   0.354  11.300
 1014    H    SER 125           H        SER 125  -6.208  -1.076  11.291
 1015    HA   SER 125           HA       SER 125  -7.987   0.465   9.930
 1016    HB2  SER 125           HB2      SER 125  -8.684   1.183  12.272
 1017    HB3  SER 125           HB3      SER 125  -8.595  -0.555  11.993
 1018    HG   SER 125           HG       SER 125  -6.459   0.958  13.091
 1019    H    ALA 126           H        ALA 126  -7.577   2.364   8.935
 1020    HA   ALA 126           HA       ALA 126  -5.823   4.309  10.237
 1021    HB1  ALA 126           HB1      ALA 126  -5.434   3.854   7.879
 1022    HB2  ALA 126           HB2      ALA 126  -7.090   4.335   7.503
 1023    HB3  ALA 126           HB3      ALA 126  -5.945   5.525   8.123
 1024    H    GLU 127           H        GLU 127  -6.508   6.183  11.057
 1025    HA   GLU 127           HA       GLU 127  -9.250   7.063  10.466
 1026    HB2  GLU 127           HB2      GLU 127  -8.828   8.158  12.915
 1027    HB3  GLU 127           HB3      GLU 127  -9.671   6.640  12.649
 1028    HG2  GLU 127           HG2      GLU 127  -8.078   6.394  14.436
 1029    HG3  GLU 127           HG3      GLU 127  -7.578   5.420  13.057
 1030    H    LYS 128           H        LYS 128  -8.217   8.273   8.775
 1031    HA   LYS 128           HA       LYS 128  -6.702  10.599   9.757
 1032    HB2  LYS 128           HB2      LYS 128  -6.216   8.807   7.432
 1033    HB3  LYS 128           HB3      LYS 128  -5.859  10.513   7.227
 1034    HG2  LYS 128           HG2      LYS 128  -3.853   9.426   7.891
 1035    HG3  LYS 128           HG3      LYS 128  -4.420  10.369   9.270
 1036    HD2  LYS 128           HD2      LYS 128  -5.455   8.295  10.177
 1037    HD3  LYS 128           HD3      LYS 128  -4.711   7.396   8.855
 1038    HE2  LYS 128           HE2      LYS 128  -2.491   8.192   9.639
 1039    HE3  LYS 128           HE3      LYS 128  -3.292   8.942  11.020
 1040    HZ1  LYS 128           HZ1      LYS 128  -4.137   6.730  11.635
 1041    HZ2  LYS 128           HZ2      LYS 128  -2.446   6.804  11.652
 1042    HZ3  LYS 128           HZ3      LYS 128  -3.242   6.046  10.360