*HEADER    SIGNALING PROTEIN                       23-JUN-04   1TTN              
*TITLE     SOLUTION STRUCTURE OF THE UBIQUITIN-LIKE DOMAIN OF HUMAN DC-          
*TITLE    2 UBP FROM DENDRITIC CELLS                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DENDRITIC CELL-DERIVED UBIQUITIN-LIKE PROTEIN;             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UBIQUITIN-LIKE DOMAIN;                                     
*COMPND   5 SYNONYM: DC-UBP;                                                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-22B(+)                                
*KEYWDS    UBIQUITIN-LIKE DOMAIN, DC-UBP, SOLUTION STRUCTURE, NMR                
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    H.Y.HU                                                                
*REVDAT   1   05-JUL-05 1TTN    0                                                

 ASSI \{ 35\}\par
   (( segid " " and resid 60 and name HN ))\par
   (( segid " " and resid 59 and name HA ))\par
   3.200 3.200 2.800 peak 35 spectrum 1 weight 0.11000E+01 volume 0.10155E-02 ppm1 9.146 ppm2 4.226 CV 1\par
 ASSI \{ 39\}\par
   (( segid " " and resid 60 and name HN ))\par
   (( segid " " and resid 59 and name HN ))\par
   3.500 3.500 2.500 peak 39 spectrum 1 weight 0.11000E+01 volume 0.15913E-02 ppm1 9.145 ppm2 6.399 CV 1\par
 ASSI \{ 40\}\par
   (( segid " " and resid 60 and name HN ))\par
   (( segid " " and resid 63 and name HB1 ))\par
   3.500 3.500 2.500 peak 40 spectrum 1 weight 0.11000E+01 volume 0.17908E-02 ppm1 9.145 ppm2 3.928 CV 1\par
 ASSI \{ 41\}\par
   (( segid " " and resid 60 and name HN ))\par
   (( segid " " and resid 60 and name HA ))\par
   3.100 3.100 2.900 peak 41 spectrum 1 weight 0.11000E+01 volume 0.13375E-02 ppm1 9.145 ppm2 3.572 CV 1\par
 ASSI \{ 44\}\par
   (( segid " " and resid 60 and name HN ))\par
   (( segid " " and resid 64 and name HG2 ))\par
   3.700 3.700 2.300 peak 44 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 9.146 ppm2 2.248 CV 1\par
 ASSI \{ 46\}\par
   (( segid " " and resid 60 and name HN ))\par
   ( segid " " and resid 59 and name HG2% )\par
   3.400 3.400 2.600 peak 46 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 9.146 ppm2 0.951 CV 1\par
 ASSI \{ 54\}\par
   (( segid " " and resid 94 and name HN ))\par
   (( segid " " and resid 93 and name HN ))\par
   3.000 1.100 1.100 peak 54 spectrum 1 weight 0.11000E+01 volume 0.28653E-02 ppm1 8.627 ppm2 9.697 CV 1\par
 ASSI \{ 56\}\par
   (( segid " " and resid 94 and name HN ))\par
   (( segid " " and resid 93 and name HB ))\par
   2.900 1.000 1.000 peak 56 spectrum 1 weight 0.11000E+01 volume 0.26794E-02 ppm1 8.631 ppm2 2.139 CV 1\par
 ASSI \{ 58\}\par
   (( segid " " and resid 94 and name HN ))\par
   (( segid " " and resid 31 and name HN ))\par
   3.400 1.400 1.400 peak 58 spectrum 1 weight 0.11000E+01 volume 0.15641E-02 ppm1 8.618 ppm2 9.011 CV 1\par
 ASSI \{ 61\}\par
   (( segid " " and resid 94 and name HN ))\par
   (( segid " " and resid 94 and name HA ))\par
   2.700 0.900 0.900 peak 61 spectrum 1 weight 0.11000E+01 volume 0.23802E-02 ppm1 8.620 ppm2 4.844 CV 1\par
 ASSI \{ 64\}\par
   (( segid " " and resid 94 and name HN ))\par
   (( segid " " and resid 93 and name HA ))\par
   2.700 0.900 0.900 peak 64 spectrum 1 weight 0.11000E+01 volume 0.18271E-02 ppm1 8.622 ppm2 4.191 CV 1\par
 ASSI \{ 66\}\par
   (( segid " " and resid 94 and name HN ))\par
   (( segid " " and resid 94 and name HB ))\par
   2.900 1.100 1.100 peak 66 spectrum 1 weight 0.11000E+01 volume 0.20402E-02 ppm1 8.623 ppm2 2.006 CV 1\par
 ASSI \{ 68\}\par
   (( segid " " and resid 94 and name HN ))\par
   (( segid " " and resid 94 and name HG21 ))\par
   3.300 1.400 1.400 peak 68 spectrum 1 weight 0.11000E+01 volume 0.18769E-02 ppm1 8.621 ppm2 0.947 CV 1\par
 ASSI \{ 72\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 65 and name HN ))\par
   2.900 1.100 1.100 peak 72 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 9.701 ppm2 8.823 CV 1\par
 ASSI \{ 78\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 66 and name HA ))\par
   3.600 1.600 1.600 peak 78 spectrum 1 weight 0.11000E+01 volume 0.14327E-02 ppm1 9.692 ppm2 5.498 CV 1\par
 ASSI \{ 79\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 94 and name HA ))\par
   3.000 3.000 3.000 peak 79 spectrum 1 weight 0.11000E+01 volume 0.27112E-02 ppm1 9.693 ppm2 4.852 CV 1\par
 ASSI \{ 80\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 92 and name HA ))\par
   3.000 1.200 1.200 peak 80 spectrum 1 weight 0.11000E+01 volume 0.10564E-02 ppm1 9.694 ppm2 4.661 CV 1\par
 ASSI \{ 81\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 93 and name HA ))\par
   2.700 0.900 0.900 peak 81 spectrum 1 weight 0.11000E+01 volume 0.23484E-02 ppm1 9.693 ppm2 4.190 CV 1\par
 ASSI \{ 82\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 94 and name HB ))\par
   3.300 3.300 2.700 peak 82 spectrum 1 weight 0.11000E+01 volume 0.23575E-02 ppm1 9.692 ppm2 1.993 CV 1\par
 ASSI \{ 83\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 93 and name HG11 ))\par
   3.200 1.300 1.300 peak 83 spectrum 1 weight 0.11000E+01 volume 0.12649E-02 ppm1 9.693 ppm2 1.625 CV 1\par
 ASSI \{ 84\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 93 and name HG12 ))\par
   2.900 1.000 1.000 peak 84 spectrum 1 weight 0.11000E+01 volume 0.14009E-02 ppm1 9.694 ppm2 1.373 CV 1\par
 ASSI \{ 86\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 93 and name HD11 ))\par
   3.700 1.700 1.700 peak 86 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 9.695 ppm2 0.733 CV 1\par
 ASSI \{ 91\}\par
   (( segid " " and resid 93 and name HN ))\par
   (( segid " " and resid 93 and name HB ))\par
   3.200 1.300 1.300 peak 91 spectrum 1 weight 0.11000E+01 volume 0.20220E-02 ppm1 9.688 ppm2 2.137 CV 1\par
 ASSI \{ 92\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 89 and name HN ))\par
   3.100 1.200 1.200 peak 92 spectrum 1 weight 0.11000E+01 volume 0.21852E-02 ppm1 8.677 ppm2 7.816 CV 1\par
 ASSI \{ 94\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 29 and name HN ))\par
   3.400 1.400 1.400 peak 94 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 8.669 ppm2 8.506 CV 1\par
 ASSI \{ 95\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 28 and name HA ))\par
   3.000 1.100 1.100 peak 95 spectrum 1 weight 0.11000E+01 volume 0.12649E-02 ppm1 8.667 ppm2 5.305 CV 1\par
 ASSI \{ 99\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 90 and name HB ))\par
   3.200 1.300 1.300 peak 99 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 8.668 ppm2 1.996 CV 1\par
 ASSI \{ 100\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 27 and name HB2 ))\par
   3.900 1.900 1.900 peak 100 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 8.668 ppm2 1.862 CV 1\par
 ASSI \{ 101\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 89 and name HB ))\par
   4.000 2.000 2.000 peak 101 spectrum 1 weight 0.11000E+01 volume 0.13238E-02 ppm1 8.670 ppm2 1.756 CV 1\par
 ASSI \{ 104\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   2.700 0.900 0.900 peak 104 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 8.669 ppm2 1.133 CV 1\par
 ASSI \{ 105\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 90 and name HG11 ))\par
   4.000 2.000 2.000 peak 105 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 8.667 ppm2 0.835 CV 1\par
 ASSI \{ 106\}\par
   (( segid " " and resid 90 and name HN ))\par
   (( segid " " and resid 89 and name HG21 ))\par
   3.300 1.400 1.400 peak 106 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 8.669 ppm2 0.662 CV 1\par
 ASSI \{ 107\}\par
   (( segid " " and resid 90 and name HN ))\par
   ( segid " " and resid 28 and name HD1% )\par
   3.300 1.400 1.400 peak 107 spectrum 1 weight 0.11000E+01 volume 0.14372E-02 ppm1 8.670 ppm2 0.244 CV 1\par
 ASSI \{ 153\}\par
   (( segid " " and resid 38 and name HN ))\par
   (( segid " " and resid 37 and name HN ))\par
   3.500 1.500 1.500 peak 153 spectrum 1 weight 0.11000E+01 volume 0.15415E-02 ppm1 9.180 ppm2 8.383 CV 1\par
 ASSI \{ 154\}\par
   (( segid " " and resid 38 and name HN ))\par
   (( segid " " and resid 37 and name HA ))\par
   2.800 1.000 1.000 peak 154 spectrum 1 weight 0.11000E+01 volume 0.99742E-03 ppm1 9.180 ppm2 5.063 CV 1\par
 ASSI \{ 155\}\par
   (( segid " " and resid 38 and name HN ))\par
   (( segid " " and resid 25 and name HA ))\par
   3.100 3.100 2.900 peak 155 spectrum 1 weight 0.11000E+01 volume 0.15732E-02 ppm1 9.181 ppm2 4.937 CV 1\par
 ASSI \{ 159\}\par
   (( segid " " and resid 38 and name HN ))\par
   (( segid " " and resid 38 and name HB2 ))\par
   3.300 1.300 1.300 peak 159 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 9.180 ppm2 1.791 CV 1\par
 ASSI \{ 160\}\par
   (( segid " " and resid 38 and name HN ))\par
   (( segid " " and resid 38 and name HB1 ))\par
   3.000 1.100 1.100 peak 160 spectrum 1 weight 0.11000E+01 volume 0.10790E-02 ppm1 9.180 ppm2 1.507 CV 1\par
 ASSI \{ 161\}\par
   (( segid " " and resid 38 and name HN ))\par
   (( segid " " and resid 37 and name HG2 ))\par
   3.800 1.800 1.800 peak 161 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 9.181 ppm2 1.122 CV 1\par
 ASSI \{ 162\}\par
   (( segid " " and resid 38 and name HN ))\par
   ( segid " " and resid 38 and name HD2% )\par
   3.900 1.900 1.900 peak 162 spectrum 1 weight 0.11000E+01 volume 0.13193E-02 ppm1 9.179 ppm2 0.943 CV 1\par
 ASSI \{ 167\}\par
   (( segid " " and resid 66 and name HN ))\par
   (( segid " " and resid 65 and name HN ))\par
   3.500 1.500 1.500 peak 167 spectrum 1 weight 0.11000E+01 volume 0.18633E-02 ppm1 9.068 ppm2 8.832 CV 1\par
 ASSI \{ 168\}\par
   (( segid " " and resid 66 and name HN ))\par
   (( segid " " and resid 67 and name HN ))\par
   3.500 1.500 1.500 peak 168 spectrum 1 weight 0.11000E+01 volume 0.18407E-02 ppm1 9.058 ppm2 9.446 CV 1\par
 ASSI \{ 171\}\par
   (( segid " " and resid 66 and name HN ))\par
   (( segid " " and resid 66 and name HA ))\par
   3.000 1.100 1.100 peak 171 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 9.063 ppm2 5.500 CV 1\par
 ASSI \{ 173\}\par
   (( segid " " and resid 66 and name HN ))\par
   (( segid " " and resid 66 and name HB2 ))\par
   3.100 1.200 1.200 peak 173 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 9.062 ppm2 3.157 CV 1\par
 ASSI \{ 174\}\par
   (( segid " " and resid 66 and name HN ))\par
   (( segid " " and resid 66 and name HB1 ))\par
   3.600 1.600 1.600 peak 174 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 9.063 ppm2 3.044 CV 1\par
 ASSI \{ 180\}\par
   (( segid " " and resid 39 and name HN ))\par
   (( segid " " and resid 38 and name HA ))\par
   3.000 1.100 1.100 peak 180 spectrum 1 weight 0.11000E+01 volume 0.97473E-03 ppm1 8.447 ppm2 4.570 CV 1\par
 ASSI \{ 181\}\par
   (( segid " " and resid 39 and name HN ))\par
   (( segid " " and resid 39 and name HA ))\par
   3.000 1.100 1.100 peak 181 spectrum 1 weight 0.11000E+01 volume 0.13283E-02 ppm1 8.446 ppm2 4.420 CV 1\par
 ASSI \{ 182\}\par
   (( segid " " and resid 39 and name HN ))\par
   (( segid " " and resid 39 and name HB ))\par
   3.200 1.300 1.300 peak 182 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 8.447 ppm2 1.919 CV 1\par
 ASSI \{ 186\}\par
   (( segid " " and resid 39 and name HN ))\par
   ( segid " " and resid 39 and name HG1% )\par
   4.100 2.100 1.900 peak 186 spectrum 1 weight 0.11000E+01 volume 0.98384E-03 ppm1 8.447 ppm2 0.862 CV 1\par
 ASSI \{ 187\}\par
   (( segid " " and resid 39 and name HN ))\par
   (( segid " " and resid 38 and name HN ))\par
   3.500 1.600 1.600 peak 187 spectrum 1 weight 0.11000E+01 volume 0.17636E-02 ppm1 8.444 ppm2 9.183 CV 1\par
 ASSI \{ 201\}\par
   (( segid " " and resid 26 and name HN ))\par
   (( segid " " and resid 25 and name HA ))\par
   3.300 1.300 1.300 peak 201 spectrum 1 weight 0.11000E+01 volume 0.89767E-03 ppm1 9.082 ppm2 4.936 CV 1\par
 ASSI \{ 202\}\par
   (( segid " " and resid 26 and name HN ))\par
   (( segid " " and resid 39 and name HA ))\par
   3.200 1.300 1.300 peak 202 spectrum 1 weight 0.11000E+01 volume 0.13918E-02 ppm1 9.075 ppm2 4.430 CV 1\par
 ASSI \{ 209\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 34 and name HA ))\par
   2.900 1.100 1.100 peak 209 spectrum 1 weight 0.11000E+01 volume 0.25752E-02 ppm1 9.018 ppm2 4.412 CV 1\par
 ASSI \{ 210\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   3.000 1.100 1.100 peak 210 spectrum 1 weight 0.11000E+01 volume 0.11244E-02 ppm1 9.017 ppm2 1.898 CV 1\par
 ASSI \{ 214\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 34 and name HN ))\par
   2.900 1.000 1.000 peak 214 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 9.010 ppm2 6.861 CV 1\par
 ASSI \{ 215\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 35 and name HA ))\par
   3.300 1.400 1.400 peak 215 spectrum 1 weight 0.11000E+01 volume 0.13148E-02 ppm1 9.013 ppm2 5.404 CV 1\par
 ASSI \{ 216\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 30 and name HA ))\par
   2.700 0.900 0.900 peak 216 spectrum 1 weight 0.11000E+01 volume 0.23031E-02 ppm1 9.015 ppm2 5.221 CV 1\par
 ASSI \{ 217\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 29 and name HA ))\par
   2.800 1.000 1.000 peak 217 spectrum 1 weight 0.11000E+01 volume 0.17364E-02 ppm1 9.014 ppm2 5.027 CV 1\par
 ASSI \{ 219\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 30 and name HB1 ))\par
   3.500 1.500 1.500 peak 219 spectrum 1 weight 0.11000E+01 volume 0.98836E-03 ppm1 9.013 ppm2 1.604 CV 1\par
 ASSI \{ 221\}\par
   (( segid " " and resid 30 and name HN ))\par
   ( segid " " and resid 30 and name HD2% )\par
   3.100 1.200 1.200 peak 221 spectrum 1 weight 0.11000E+01 volume 0.11969E-02 ppm1 9.015 ppm2 0.733 CV 1\par
   OR \{ 221\}\par
   (( segid " " and resid 30 and name HN ))\par
   ( segid " " and resid 30 and name HD1% )\par
 ASSI \{ 236\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 67 and name HN ))\par
   3.000 1.100 1.100 peak 236 spectrum 1 weight 0.11000E+01 volume 0.15278E-02 ppm1 8.374 ppm2 9.446 CV 1\par
 ASSI \{ 237\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 90 and name HN ))\par
   3.200 1.300 1.300 peak 237 spectrum 1 weight 0.11000E+01 volume 0.26703E-02 ppm1 8.375 ppm2 8.670 CV 1\par
 ASSI \{ 240\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 68 and name HA ))\par
   3.000 1.100 1.100 peak 240 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 8.378 ppm2 5.291 CV 1\par
 ASSI \{ 241\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 91 and name HA ))\par
   2.700 0.900 0.900 peak 241 spectrum 1 weight 0.11000E+01 volume 0.22215E-02 ppm1 8.373 ppm2 4.671 CV 1\par
 ASSI \{ 242\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 90 and name HA ))\par
   2.700 0.900 0.900 peak 242 spectrum 1 weight 0.11000E+01 volume 0.16865E-02 ppm1 8.375 ppm2 4.286 CV 1\par
 ASSI \{ 243\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 91 and name HG2 ))\par
   3.600 1.600 1.600 peak 243 spectrum 1 weight 0.11000E+01 volume 0.21626E-02 ppm1 8.374 ppm2 2.342 CV 1\par
 ASSI \{ 244\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 91 and name HB2 ))\par
   2.600 0.900 0.900 peak 244 spectrum 1 weight 0.11000E+01 volume 0.19314E-02 ppm1 8.373 ppm2 2.076 CV 1\par
 ASSI \{ 245\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   3.600 1.600 1.600 peak 245 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 8.374 ppm2 1.126 CV 1\par
 ASSI \{ 246\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 90 and name HG11 ))\par
   3.200 1.300 1.300 peak 246 spectrum 1 weight 0.11000E+01 volume 0.19178E-02 ppm1 8.375 ppm2 0.848 CV 1\par
 ASSI \{ 248\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 67 and name HB2 ))\par
   3.100 1.200 1.200 peak 248 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 8.371 ppm2 2.966 CV 1\par
 ASSI \{ 253\}\par
   (( segid " " and resid 69 and name HN ))\par
   (( segid " " and resid 69 and name HG ))\par
   3.700 1.700 1.700 peak 253 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 8.933 ppm2 2.984 CV 1\par
 ASSI \{ 266\}\par
   (( segid " " and resid 27 and name HN ))\par
   (( segid " " and resid 28 and name HN ))\par
   3.500 1.500 1.500 peak 266 spectrum 1 weight 0.11000E+01 volume 0.18815E-02 ppm1 9.061 ppm2 8.772 CV 1\par
 ASSI \{ 268\}\par
   (( segid " " and resid 27 and name HN ))\par
   (( segid " " and resid 89 and name HA ))\par
   3.100 1.200 1.200 peak 268 spectrum 1 weight 0.11000E+01 volume 0.18860E-02 ppm1 9.064 ppm2 4.192 CV 1\par
 ASSI \{ 269\}\par
   (( segid " " and resid 27 and name HN ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   2.900 2.900 3.100 peak 269 spectrum 1 weight 0.11000E+01 volume 0.26114E-02 ppm1 9.064 ppm2 3.139 CV 1\par
 ASSI \{ 270\}\par
   (( segid " " and resid 27 and name HN ))\par
   (( segid " " and resid 27 and name HB2 ))\par
   2.700 0.900 0.900 peak 270 spectrum 1 weight 0.11000E+01 volume 0.19767E-02 ppm1 9.064 ppm2 1.864 CV 1\par
 ASSI \{ 273\}\par
   (( segid " " and resid 27 and name HN ))\par
   (( segid " " and resid 89 and name HG21 ))\par
   3.400 1.400 1.400 peak 273 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 9.060 ppm2 0.706 CV 1\par
 ASSI \{ 276\}\par
   (( segid " " and resid 69 and name HN ))\par
   (( segid " " and resid 68 and name HA ))\par
   3.100 1.200 1.200 peak 276 spectrum 1 weight 0.11000E+01 volume 0.11697E-02 ppm1 8.930 ppm2 5.284 CV 1\par
 ASSI \{ 277\}\par
   (( segid " " and resid 69 and name HN ))\par
   (( segid " " and resid 69 and name HA ))\par
   3.200 3.200 2.800 peak 277 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 8.931 ppm2 4.759 CV 1\par
 ASSI \{ 278\}\par
   (( segid " " and resid 69 and name HN ))\par
   (( segid " " and resid 69 and name HB2 ))\par
   3.400 3.400 2.600 peak 278 spectrum 1 weight 0.11000E+01 volume 0.11425E-02 ppm1 8.932 ppm2 3.801 CV 1\par
 ASSI \{ 279\}\par
   (( segid " " and resid 69 and name HN ))\par
   (( segid " " and resid 68 and name HB2 ))\par
   3.500 1.500 1.500 peak 279 spectrum 1 weight 0.11000E+01 volume 0.16503E-02 ppm1 8.929 ppm2 3.242 CV 1\par
 ASSI \{ 284\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 36 and name HN ))\par
   3.000 1.100 1.100 peak 284 spectrum 1 weight 0.11000E+01 volume 0.26522E-02 ppm1 8.389 ppm2 8.895 CV 1\par
 ASSI \{ 286\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 34 and name HN ))\par
   2.900 1.100 1.100 peak 286 spectrum 1 weight 0.11000E+01 volume 0.25797E-02 ppm1 8.389 ppm2 6.857 CV 1\par
 ASSI \{ 287\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 35 and name HA ))\par
   2.900 1.100 1.100 peak 287 spectrum 1 weight 0.11000E+01 volume 0.21989E-02 ppm1 8.391 ppm2 5.411 CV 1\par
 ASSI \{ 289\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 34 and name HA ))\par
   3.000 1.100 1.100 peak 289 spectrum 1 weight 0.11000E+01 volume 0.15823E-02 ppm1 8.390 ppm2 4.414 CV 1\par
 ASSI \{ 290\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 35 and name HB2 ))\par
   3.200 1.300 1.300 peak 290 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.390 ppm2 2.621 CV 1\par
 ASSI \{ 291\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 35 and name HB1 ))\par
   3.000 1.100 1.100 peak 291 spectrum 1 weight 0.11000E+01 volume 0.19178E-02 ppm1 8.390 ppm2 2.507 CV 1\par
 ASSI \{ 292\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 34 and name HB2 ))\par
   3.500 1.500 1.500 peak 292 spectrum 1 weight 0.11000E+01 volume 0.19721E-02 ppm1 8.391 ppm2 1.585 CV 1\par
 ASSI \{ 293\}\par
   (( segid " " and resid 35 and name HN ))\par
   (( segid " " and resid 34 and name HB1 ))\par
   3.400 1.500 1.500 peak 293 spectrum 1 weight 0.11000E+01 volume 0.20719E-02 ppm1 8.389 ppm2 1.277 CV 1\par
 ASSI \{ 364\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 79 and name HN ))\par
   3.900 1.900 1.900 peak 364 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 8.825 ppm2 8.960 CV 1\par
 ASSI \{ 366\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 50 and name HN ))\par
   3.700 1.700 1.700 peak 366 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.826 ppm2 8.456 CV 1\par
 ASSI \{ 367\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 77 and name HN ))\par
   3.100 1.200 1.200 peak 367 spectrum 1 weight 0.11000E+01 volume 0.20311E-02 ppm1 8.823 ppm2 7.656 CV 1\par
 ASSI \{ 368\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 45 and name HA ))\par
   3.000 3.000 3.000 peak 368 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.823 ppm2 5.338 CV 1\par
 ASSI \{ 369\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 49 and name HA ))\par
   4.000 4.000 2.000 peak 369 spectrum 1 weight 0.11000E+01 volume 0.13193E-02 ppm1 8.823 ppm2 4.717 CV 1\par
 ASSI \{ 370\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 48 and name HB1 ))\par
   3.800 3.800 2.200 peak 370 spectrum 1 weight 0.11000E+01 volume 0.13510E-02 ppm1 8.821 ppm2 3.246 CV 1\par
 ASSI \{ 371\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 49 and name HB2 ))\par
   3.100 1.200 1.200 peak 371 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 8.824 ppm2 2.848 CV 1\par
 ASSI \{ 373\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 46 and name HB ))\par
   3.000 1.100 1.100 peak 373 spectrum 1 weight 0.11000E+01 volume 0.11697E-02 ppm1 8.822 ppm2 2.321 CV 1\par
 ASSI \{ 374\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 77 and name HB2 ))\par
   2.900 1.000 1.000 peak 374 spectrum 1 weight 0.11000E+01 volume 0.16820E-02 ppm1 8.825 ppm2 2.052 CV 1\par
 ASSI \{ 375\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.600 1.600 1.600 peak 375 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.824 ppm2 1.904 CV 1\par
 ASSI \{ 376\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 45 and name HG21 ))\par
   3.700 1.700 1.700 peak 376 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.823 ppm2 1.375 CV 1\par
 ASSI \{ 377\}\par
   (( segid " " and resid 46 and name HN ))\par
   ( segid " " and resid 46 and name HG2% )\par
   3.100 1.200 1.200 peak 377 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 8.823 ppm2 0.788 CV 1\par
 ASSI \{ 378\}\par
   (( segid " " and resid 46 and name HN ))\par
   ( segid " " and resid 46 and name HG1% )\par
   3.900 1.900 1.900 peak 378 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.824 ppm2 0.141 CV 1\par
 ASSI \{ 379\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 45 and name HB ))\par
   3.300 1.300 1.300 peak 379 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.819 ppm2 4.871 CV 1\par
 ASSI \{ 380\}\par
   (( segid " " and resid 46 and name HN ))\par
   (( segid " " and resid 75 and name HA ))\par
   3.500 1.500 1.500 peak 380 spectrum 1 weight 0.11000E+01 volume 0.14236E-02 ppm1 8.820 ppm2 4.291 CV 1\par
 ASSI \{ 393\}\par
   (( segid " " and resid 99 and name HN ))\par
   (( segid " " and resid 99 and name HA ))\par
   3.200 3.200 2.800 peak 393 spectrum 1 weight 0.11000E+01 volume 0.12558E-02 ppm1 8.458 ppm2 4.298 CV 1\par
 ASSI \{ 394\}\par
   (( segid " " and resid 99 and name HN ))\par
   (( segid " " and resid 98 and name HA ))\par
   3.400 1.400 1.400 peak 394 spectrum 1 weight 0.11000E+01 volume 0.97473E-03 ppm1 8.457 ppm2 4.035 CV 1\par
 ASSI \{ 396\}\par
   (( segid " " and resid 99 and name HN ))\par
   (( segid " " and resid 96 and name HB2 ))\par
   3.400 1.400 1.400 peak 396 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 8.459 ppm2 1.957 CV 1\par
 ASSI \{ 412\}\par
   (( segid " " and resid 99 and name HN ))\par
   (( segid " " and resid 96 and name HA ))\par
   2.800 1.000 1.000 peak 412 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.445 ppm2 4.558 CV 1\par
 ASSI \{ 416\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 42 and name HN ))\par
   2.900 1.100 1.100 peak 416 spectrum 1 weight 0.11000E+01 volume 0.22669E-02 ppm1 7.956 ppm2 8.773 CV 1\par
 ASSI \{ 428\}\par
   (( segid " " and resid 92 and name HN ))\par
   ( segid " " and resid 30 and name HD1% )\par
   3.800 1.800 1.800 peak 428 spectrum 1 weight 0.11000E+01 volume 0.12649E-02 ppm1 8.381 ppm2 0.701 CV 1\par
 ASSI \{ 429\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 93 and name HN ))\par
   3.300 1.300 1.300 peak 429 spectrum 1 weight 0.11000E+01 volume 0.18226E-02 ppm1 8.373 ppm2 9.703 CV 1\par
 ASSI \{ 431\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 30 and name HA ))\par
   3.000 1.100 1.100 peak 431 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.376 ppm2 5.227 CV 1\par
 ASSI \{ 432\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 92 and name HA ))\par
   2.900 1.000 1.000 peak 432 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 8.376 ppm2 4.673 CV 1\par
 ASSI \{ 435\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 92 and name HB ))\par
   3.400 1.400 1.400 peak 435 spectrum 1 weight 0.11000E+01 volume 0.11425E-02 ppm1 8.377 ppm2 1.692 CV 1\par
 ASSI \{ 437\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 92 and name HG21 ))\par
   3.100 1.200 1.200 peak 437 spectrum 1 weight 0.11000E+01 volume 0.23892E-02 ppm1 8.375 ppm2 0.553 CV 1\par
 ASSI \{ 438\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   3.500 1.500 1.500 peak 438 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.376 ppm2 -0.379 CV 1\par
 ASSI \{ 439\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 91 and name HG2 ))\par
   3.000 1.100 1.100 peak 439 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 8.372 ppm2 2.344 CV 1\par
 ASSI \{ 440\}\par
   (( segid " " and resid 92 and name HN ))\par
   (( segid " " and resid 29 and name HB2 ))\par
   3.800 1.800 1.800 peak 440 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.371 ppm2 1.541 CV 1\par
 ASSI \{ 446\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 49 and name HN ))\par
   3.400 3.400 2.600 peak 446 spectrum 1 weight 0.11000E+01 volume 0.24300E-02 ppm1 7.972 ppm2 8.463 CV 1\par
 ASSI \{ 448\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 48 and name HB2 ))\par
   3.500 3.500 2.500 peak 448 spectrum 1 weight 0.11000E+01 volume 0.25887E-02 ppm1 7.966 ppm2 3.390 CV 1\par
 ASSI \{ 450\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 41 and name HB2 ))\par
   3.400 3.400 2.600 peak 450 spectrum 1 weight 0.11000E+01 volume 0.13375E-02 ppm1 7.967 ppm2 1.583 CV 1\par
 ASSI \{ 451\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 79 and name HN ))\par
   3.100 3.100 2.900 peak 451 spectrum 1 weight 0.11000E+01 volume 0.18044E-02 ppm1 7.961 ppm2 8.918 CV 1\par
 ASSI \{ 452\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 43 and name HN ))\par
   3.100 1.200 1.200 peak 452 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.964 ppm2 6.736 CV 1\par
 ASSI \{ 453\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 44 and name HA ))\par
   3.100 1.200 1.200 peak 453 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 7.964 ppm2 4.455 CV 1\par
 ASSI \{ 454\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 43 and name HA ))\par
   3.200 1.300 1.300 peak 454 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 7.965 ppm2 4.176 CV 1\par
 ASSI \{ 455\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 42 and name HA ))\par
   3.000 1.100 1.100 peak 455 spectrum 1 weight 0.11000E+01 volume 0.17636E-02 ppm1 7.962 ppm2 3.584 CV 1\par
 ASSI \{ 457\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 44 and name HB2 ))\par
   3.000 1.100 1.100 peak 457 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 7.963 ppm2 2.991 CV 1\par
 ASSI \{ 458\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 41 and name HD2 ))\par
   2.800 2.800 3.200 peak 458 spectrum 1 weight 0.11000E+01 volume 0.12558E-02 ppm1 7.963 ppm2 2.828 CV 1\par
 ASSI \{ 459\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 40 and name HB ))\par
   3.500 1.500 1.500 peak 459 spectrum 1 weight 0.11000E+01 volume 0.15913E-02 ppm1 7.965 ppm2 2.476 CV 1\par
 ASSI \{ 460\}\par
   (( segid " " and resid 44 and name HN ))\par
   (( segid " " and resid 45 and name HG21 ))\par
   2.900 1.100 1.100 peak 460 spectrum 1 weight 0.11000E+01 volume 0.21671E-02 ppm1 7.964 ppm2 1.379 CV 1\par
 ASSI \{ 465\}\par
   (( segid " " and resid 79 and name HN ))\par
   (( segid " " and resid 80 and name HA ))\par
   3.400 3.400 2.600 peak 465 spectrum 1 weight 0.11000E+01 volume 0.27746E-02 ppm1 8.914 ppm2 4.029 CV 1\par
 ASSI \{ 471\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 94 and name HG21 ))\par
   2.500 2.500 3.500 peak 471 spectrum 1 weight 0.11000E+01 volume 0.28109E-02 ppm1 8.473 ppm2 0.949 CV 1\par
 ASSI \{ 490\}\par
   (( segid " " and resid 79 and name HN ))\par
   (( segid " " and resid 78 and name HN ))\par
   3.500 3.500 2.500 peak 490 spectrum 1 weight 0.11000E+01 volume 0.14508E-02 ppm1 8.931 ppm2 8.776 CV 1\par
 ASSI \{ 493\}\par
   (( segid " " and resid 79 and name HN ))\par
   (( segid " " and resid 45 and name HB ))\par
   3.700 1.700 1.700 peak 493 spectrum 1 weight 0.11000E+01 volume 0.17001E-02 ppm1 8.926 ppm2 4.862 CV 1\par
 ASSI \{ 494\}\par
   (( segid " " and resid 79 and name HN ))\par
   (( segid " " and resid 78 and name HA ))\par
   3.100 1.200 1.200 peak 494 spectrum 1 weight 0.11000E+01 volume 0.10745E-02 ppm1 8.928 ppm2 4.711 CV 1\par
 ASSI \{ 496\}\par
   (( segid " " and resid 79 and name HN ))\par
   (( segid " " and resid 79 and name HA ))\par
   3.100 1.200 1.200 peak 496 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.930 ppm2 3.815 CV 1\par
 ASSI \{ 502\}\par
   (( segid " " and resid 79 and name HN ))\par
   (( segid " " and resid 78 and name HB2 ))\par
   3.100 1.200 1.200 peak 502 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 8.928 ppm2 1.606 CV 1\par
 ASSI \{ 507\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 96 and name HN ))\par
   2.700 0.900 0.900 peak 507 spectrum 1 weight 0.11000E+01 volume 0.25253E-02 ppm1 8.805 ppm2 8.439 CV 1\par
 ASSI \{ 512\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 94 and name HA ))\par
   3.000 1.100 1.100 peak 512 spectrum 1 weight 0.11000E+01 volume 0.21807E-02 ppm1 8.449 ppm2 4.906 CV 1\par
 ASSI \{ 513\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 63 and name HB1 ))\par
   3.400 1.400 1.400 peak 513 spectrum 1 weight 0.11000E+01 volume 0.21671E-02 ppm1 8.450 ppm2 3.977 CV 1\par
 ASSI \{ 514\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 96 and name HG2 ))\par
   2.900 1.000 1.000 peak 514 spectrum 1 weight 0.11000E+01 volume 0.22396E-02 ppm1 8.446 ppm2 2.382 CV 1\par
 ASSI \{ 517\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 94 and name HN ))\par
   2.600 2.600 3.400 peak 517 spectrum 1 weight 0.11000E+01 volume 0.16231E-02 ppm1 8.444 ppm2 8.619 CV 1\par
 ASSI \{ 518\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 96 and name HA ))\par
   3.000 3.000 3.000 peak 518 spectrum 1 weight 0.11000E+01 volume 0.19041E-02 ppm1 8.442 ppm2 4.720 CV 1\par
 ASSI \{ 519\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 95 and name HA ))\par
   3.100 1.200 1.200 peak 519 spectrum 1 weight 0.11000E+01 volume 0.15596E-02 ppm1 8.444 ppm2 4.555 CV 1\par
 ASSI \{ 521\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 95 and name HB2 ))\par
   3.400 1.500 1.500 peak 521 spectrum 1 weight 0.11000E+01 volume 0.19132E-02 ppm1 8.444 ppm2 3.825 CV 1\par
 ASSI \{ 523\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 96 and name HB2 ))\par
   3.000 1.100 1.100 peak 523 spectrum 1 weight 0.11000E+01 volume 0.18633E-02 ppm1 8.444 ppm2 1.936 CV 1\par
 ASSI \{ 532\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 94 and name HN ))\par
   2.900 1.000 1.000 peak 532 spectrum 1 weight 0.11000E+01 volume 0.27520E-02 ppm1 8.808 ppm2 8.636 CV 1\par
 ASSI \{ 534\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 94 and name HA ))\par
   2.800 1.000 1.000 peak 534 spectrum 1 weight 0.11000E+01 volume 0.15958E-02 ppm1 8.810 ppm2 4.864 CV 1\par
 ASSI \{ 535\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 63 and name HA ))\par
   3.500 1.600 1.600 peak 535 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 8.810 ppm2 4.713 CV 1\par
 ASSI \{ 536\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 95 and name HA ))\par
   2.900 1.100 1.100 peak 536 spectrum 1 weight 0.11000E+01 volume 0.19948E-02 ppm1 8.808 ppm2 4.553 CV 1\par
 ASSI \{ 538\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 95 and name HB2 ))\par
   2.800 1.000 1.000 peak 538 spectrum 1 weight 0.11000E+01 volume 0.19676E-02 ppm1 8.808 ppm2 3.827 CV 1\par
 ASSI \{ 539\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 94 and name HB ))\par
   3.600 1.600 1.600 peak 539 spectrum 1 weight 0.11000E+01 volume 0.24165E-02 ppm1 8.809 ppm2 2.002 CV 1\par
 ASSI \{ 540\}\par
   (( segid " " and resid 95 and name HN ))\par
   (( segid " " and resid 94 and name HG21 ))\par
   3.100 3.100 2.900 peak 540 spectrum 1 weight 0.11000E+01 volume 0.18543E-02 ppm1 8.809 ppm2 0.947 CV 1\par
 ASSI \{ 550\}\par
   (( segid " " and resid 73 and name HN ))\par
   (( segid " " and resid 67 and name HA ))\par
   3.000 1.100 1.100 peak 550 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 8.222 ppm2 5.364 CV 1\par
 ASSI \{ 552\}\par
   (( segid " " and resid 73 and name HN ))\par
   (( segid " " and resid 73 and name HA ))\par
   3.300 1.300 1.300 peak 552 spectrum 1 weight 0.11000E+01 volume 0.99289E-03 ppm1 8.221 ppm2 4.199 CV 1\par
 ASSI \{ 558\}\par
   (( segid " " and resid 73 and name HN ))\par
   ( segid " " and resid 46 and name HG2% )\par
   3.400 3.400 2.600 peak 558 spectrum 1 weight 0.11000E+01 volume 0.15006E-02 ppm1 8.221 ppm2 0.793 CV 1\par
 ASSI \{ 570\}\par
   (( segid " " and resid 88 and name HN ))\par
   (( segid " " and resid 87 and name HN ))\par
   3.000 1.100 1.100 peak 570 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.994 ppm2 8.703 CV 1\par
 ASSI \{ 573\}\par
   (( segid " " and resid 88 and name HN ))\par
   (( segid " " and resid 89 and name HN ))\par
   3.300 1.300 1.300 peak 573 spectrum 1 weight 0.11000E+01 volume 0.15233E-02 ppm1 7.993 ppm2 7.830 CV 1\par
 ASSI \{ 575\}\par
   (( segid " " and resid 88 and name HN ))\par
   (( segid " " and resid 88 and name HA ))\par
   3.200 1.300 1.300 peak 575 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 7.993 ppm2 4.460 CV 1\par
 ASSI \{ 576\}\par
   (( segid " " and resid 88 and name HN ))\par
   (( segid " " and resid 89 and name HA ))\par
   3.100 3.100 2.900 peak 576 spectrum 1 weight 0.11000E+01 volume 0.13647E-02 ppm1 7.993 ppm2 4.181 CV 1\par
 ASSI \{ 577\}\par
   (( segid " " and resid 88 and name HN ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   3.100 1.200 1.200 peak 577 spectrum 1 weight 0.11000E+01 volume 0.10019E-02 ppm1 7.994 ppm2 3.135 CV 1\par
 ASSI \{ 578\}\par
   (( segid " " and resid 88 and name HN ))\par
   (( segid " " and resid 87 and name HB2 ))\par
   3.500 1.600 1.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.15233E-02 ppm1 7.995 ppm2 2.829 CV 1\par
 ASSI \{ 580\}\par
   (( segid " " and resid 88 and name HN ))\par
   (( segid " " and resid 89 and name HB ))\par
   3.200 3.200 2.800 peak 580 spectrum 1 weight 0.11000E+01 volume 0.13012E-02 ppm1 7.993 ppm2 1.743 CV 1\par
 ASSI \{ 588\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 52 and name HN ))\par
   3.000 1.100 1.100 peak 588 spectrum 1 weight 0.11000E+01 volume 0.11969E-02 ppm1 8.659 ppm2 8.204 CV 1\par
 ASSI \{ 590\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 54 and name HN ))\par
   3.000 1.100 1.100 peak 590 spectrum 1 weight 0.11000E+01 volume 0.12422E-02 ppm1 8.654 ppm2 8.367 CV 1\par
 ASSI \{ 593\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 50 and name HA ))\par
   3.200 1.300 1.300 peak 593 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.654 ppm2 4.547 CV 1\par
 ASSI \{ 594\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 53 and name HA ))\par
   3.000 1.200 1.200 peak 594 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 8.653 ppm2 4.243 CV 1\par
 ASSI \{ 595\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 49 and name HA ))\par
   3.100 3.100 2.900 peak 595 spectrum 1 weight 0.11000E+01 volume 0.17591E-02 ppm1 8.653 ppm2 3.792 CV 1\par
 ASSI \{ 599\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 53 and name HB2 ))\par
   2.800 1.000 1.000 peak 599 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 8.653 ppm2 2.456 CV 1\par
 ASSI \{ 601\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 54 and name HB2 ))\par
   3.800 1.800 1.800 peak 601 spectrum 1 weight 0.11000E+01 volume 0.11062E-02 ppm1 8.652 ppm2 1.830 CV 1\par
   OR \{ 601\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 54 and name HB1 ))\par
 ASSI \{ 602\}\par
   (( segid " " and resid 53 and name HN ))\par
   (( segid " " and resid 53 and name HG ))\par
   3.800 3.800 2.200 peak 602 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 8.653 ppm2 1.638 CV 1\par
 ASSI \{ 605\}\par
   (( segid " " and resid 96 and name HN ))\par
   (( segid " " and resid 98 and name HN ))\par
   3.000 3.000 3.000 peak 605 spectrum 1 weight 0.11000E+01 volume 0.29469E-02 ppm1 8.464 ppm2 8.186 CV 1\par
 ASSI \{ 606\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 57 and name HG1 ))\par
   3.300 3.300 2.700 peak 606 spectrum 1 weight 0.11000E+01 volume 0.12830E-02 ppm1 8.390 ppm2 2.305 CV 1\par
 ASSI \{ 607\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 60 and name HN ))\par
   3.200 3.200 2.800 peak 607 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.385 ppm2 9.090 CV 1\par
 ASSI \{ 612\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 50 and name HA ))\par
   3.300 1.400 1.400 peak 612 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 8.387 ppm2 4.547 CV 1\par
 ASSI \{ 614\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 54 and name HA ))\par
   3.000 1.100 1.100 peak 614 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 8.387 ppm2 3.814 CV 1\par
 ASSI \{ 618\}\par
   (( segid " " and resid 73 and name HN ))\par
   (( segid " " and resid 71 and name HN ))\par
   3.300 3.300 2.700 peak 618 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 8.191 ppm2 8.033 CV 1\par
 ASSI \{ 623\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 41 and name HB2 ))\par
   3.000 3.000 3.000 peak 623 spectrum 1 weight 0.11000E+01 volume 0.29333E-02 ppm1 8.913 ppm2 1.576 CV 1\par
   OR \{ 623\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 41 and name HB1 ))\par
 ASSI \{ 630\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 52 and name HN ))\par
   3.400 1.400 1.400 peak 630 spectrum 1 weight 0.11000E+01 volume 0.16775E-02 ppm1 8.370 ppm2 8.199 CV 1\par
 ASSI \{ 632\}\par
   (( segid " " and resid 54 and name HN ))\par
   ( segid " " and resid 53 and name HD1% )\par
   3.600 1.600 1.600 peak 632 spectrum 1 weight 0.11000E+01 volume 0.13873E-02 ppm1 8.370 ppm2 0.925 CV 1\par
 ASSI \{ 638\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 68 and name HA ))\par
   3.400 3.400 2.600 peak 638 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 8.047 ppm2 5.341 CV 1\par
 ASSI \{ 639\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 69 and name HB2 ))\par
   2.700 2.700 3.300 peak 639 spectrum 1 weight 0.11000E+01 volume 0.14327E-02 ppm1 8.047 ppm2 3.827 CV 1\par
 ASSI \{ 640\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 67 and name HB2 ))\par
   4.000 2.000 2.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.14825E-02 ppm1 8.049 ppm2 2.976 CV 1\par
 ASSI \{ 642\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 68 and name HN ))\par
   3.300 1.400 1.400 peak 642 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.045 ppm2 9.037 CV 1\par
 ASSI \{ 643\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 70 and name HN ))\par
   3.000 1.100 1.100 peak 643 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 8.045 ppm2 8.879 CV 1\par
 ASSI \{ 646\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 71 and name HA ))\par
   3.100 1.200 1.200 peak 646 spectrum 1 weight 0.11000E+01 volume 0.12694E-02 ppm1 8.046 ppm2 5.057 CV 1\par
 ASSI \{ 647\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 70 and name HA2 ))\par
   3.300 1.300 1.300 peak 647 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 8.046 ppm2 4.197 CV 1\par
 ASSI \{ 648\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 70 and name HA1 ))\par
   3.700 1.700 1.700 peak 648 spectrum 1 weight 0.11000E+01 volume 0.13873E-02 ppm1 8.046 ppm2 3.620 CV 1\par
 ASSI \{ 649\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 68 and name HB2 ))\par
   3.800 1.800 1.800 peak 649 spectrum 1 weight 0.11000E+01 volume 0.14735E-02 ppm1 8.046 ppm2 3.254 CV 1\par
 ASSI \{ 650\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 67 and name HB1 ))\par
   2.900 1.000 1.000 peak 650 spectrum 1 weight 0.11000E+01 volume 0.16911E-02 ppm1 8.043 ppm2 2.802 CV 1\par
 ASSI \{ 651\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 71 and name HB2 ))\par
   3.100 1.200 1.200 peak 651 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 8.046 ppm2 1.991 CV 1\par
 ASSI \{ 652\}\par
   (( segid " " and resid 71 and name HN ))\par
   (( segid " " and resid 71 and name HG2 ))\par
   3.700 1.700 1.700 peak 652 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 8.046 ppm2 1.729 CV 1\par
 ASSI \{ 675\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 40 and name HN ))\par
   3.000 1.100 1.100 peak 675 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.915 ppm2 8.648 CV 1\par
 ASSI \{ 676\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 25 and name HA ))\par
   3.200 3.200 2.800 peak 676 spectrum 1 weight 0.11000E+01 volume 0.22170E-02 ppm1 8.915 ppm2 4.951 CV 1\par
 ASSI \{ 677\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 24 and name HA ))\par
   2.900 1.000 1.000 peak 677 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.913 ppm2 4.761 CV 1\par
 ASSI \{ 679\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 39 and name HA ))\par
   3.600 1.600 1.600 peak 679 spectrum 1 weight 0.11000E+01 volume 0.15550E-02 ppm1 8.917 ppm2 4.446 CV 1\par
 ASSI \{ 681\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 24 and name HB2 ))\par
   2.700 0.900 0.900 peak 681 spectrum 1 weight 0.11000E+01 volume 0.24845E-02 ppm1 8.916 ppm2 2.709 CV 1\par
 ASSI \{ 682\}\par
   (( segid " " and resid 24 and name HN ))\par
   (( segid " " and resid 24 and name HB1 ))\par
   3.200 1.300 1.300 peak 682 spectrum 1 weight 0.11000E+01 volume 0.22442E-02 ppm1 8.916 ppm2 2.356 CV 1\par
 ASSI \{ 684\}\par
   (( segid " " and resid 24 and name HN ))\par
   ( segid " " and resid 40 and name HG2% )\par
   3.600 1.600 1.600 peak 684 spectrum 1 weight 0.11000E+01 volume 0.13329E-02 ppm1 8.915 ppm2 0.842 CV 1\par
 ASSI \{ 695\}\par
   (( segid " " and resid 65 and name HN ))\par
   (( segid " " and resid 64 and name HA ))\par
   3.100 1.200 1.200 peak 695 spectrum 1 weight 0.11000E+01 volume 0.89767E-03 ppm1 8.817 ppm2 4.860 CV 1\par
 ASSI \{ 699\}\par
   (( segid " " and resid 65 and name HN ))\par
   (( segid " " and resid 65 and name HA ))\par
   3.000 1.100 1.100 peak 699 spectrum 1 weight 0.11000E+01 volume 0.14462E-02 ppm1 8.788 ppm2 5.305 CV 1\par
 ASSI \{ 700\}\par
   (( segid " " and resid 28 and name HN ))\par
   (( segid " " and resid 37 and name HA ))\par
   2.900 1.000 1.000 peak 700 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.790 ppm2 5.060 CV 1\par
 ASSI \{ 702\}\par
   (( segid " " and resid 28 and name HN ))\par
   (( segid " " and resid 27 and name HB2 ))\par
   3.800 1.800 1.800 peak 702 spectrum 1 weight 0.11000E+01 volume 0.10110E-02 ppm1 8.793 ppm2 1.864 CV 1\par
 ASSI \{ 706\}\par
   (( segid " " and resid 28 and name HN ))\par
   (( segid " " and resid 28 and name HB2 ))\par
   2.900 1.100 1.100 peak 706 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 8.787 ppm2 1.371 CV 1\par
 ASSI \{ 708\}\par
   (( segid " " and resid 28 and name HN ))\par
   ( segid " " and resid 28 and name HD1% )\par
   3.600 1.600 1.600 peak 708 spectrum 1 weight 0.11000E+01 volume 0.17228E-02 ppm1 8.786 ppm2 0.244 CV 1\par
 ASSI \{ 709\}\par
   (( segid " " and resid 28 and name HN ))\par
   (( segid " " and resid 37 and name HN ))\par
   2.900 2.900 3.100 peak 709 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.778 ppm2 8.411 CV 1\par
 ASSI \{ 713\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 30 and name HN ))\par
   3.100 1.200 1.200 peak 713 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 8.482 ppm2 9.001 CV 1\par
 ASSI \{ 715\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 28 and name HA ))\par
   2.800 1.000 1.000 peak 715 spectrum 1 weight 0.11000E+01 volume 0.17545E-02 ppm1 8.484 ppm2 5.302 CV 1\par
 ASSI \{ 716\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 29 and name HA ))\par
   3.000 1.100 1.100 peak 716 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 8.485 ppm2 5.026 CV 1\par
 ASSI \{ 719\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 29 and name HB2 ))\par
   2.700 0.900 0.900 peak 719 spectrum 1 weight 0.11000E+01 volume 0.19359E-02 ppm1 8.483 ppm2 1.539 CV 1\par
 ASSI \{ 720\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 28 and name HB2 ))\par
   3.800 1.800 1.800 peak 720 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 8.483 ppm2 1.369 CV 1\par
 ASSI \{ 721\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 28 and name HB1 ))\par
   2.900 1.100 1.100 peak 721 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 8.484 ppm2 1.000 CV 1\par
 ASSI \{ 723\}\par
   (( segid " " and resid 29 and name HN ))\par
   ( segid " " and resid 28 and name HD1% )\par
   3.500 1.600 1.600 peak 723 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 8.484 ppm2 0.246 CV 1\par
 ASSI \{ 724\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 92 and name HG21 ))\par
   3.500 3.500 2.500 peak 724 spectrum 1 weight 0.11000E+01 volume 0.26885E-02 ppm1 8.483 ppm2 -0.377 CV 1\par
 ASSI \{ 726\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 91 and name HG2 ))\par
   3.400 1.400 1.400 peak 726 spectrum 1 weight 0.11000E+01 volume 0.22850E-02 ppm1 8.476 ppm2 2.345 CV 1\par
 ASSI \{ 734\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 51 and name HA ))\par
   3.300 1.400 1.400 peak 734 spectrum 1 weight 0.11000E+01 volume 0.13782E-02 ppm1 8.371 ppm2 4.020 CV 1\par
 ASSI \{ 735\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 60 and name HA ))\par
   3.800 3.800 2.200 peak 735 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.371 ppm2 3.518 CV 1\par
 ASSI \{ 737\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 53 and name HB2 ))\par
   3.000 1.100 1.100 peak 737 spectrum 1 weight 0.11000E+01 volume 0.13963E-02 ppm1 8.372 ppm2 2.459 CV 1\par
 ASSI \{ 738\}\par
   (( segid " " and resid 54 and name HN ))\par
   (( segid " " and resid 53 and name HG ))\par
   4.000 4.000 2.000 peak 738 spectrum 1 weight 0.11000E+01 volume 0.11697E-02 ppm1 8.371 ppm2 1.632 CV 1\par
 ASSI \{ 745\}\par
   (( segid " " and resid 52 and name HN ))\par
   (( segid " " and resid 51 and name HN ))\par
   3.000 1.100 1.100 peak 745 spectrum 1 weight 0.11000E+01 volume 0.13148E-02 ppm1 8.207 ppm2 7.447 CV 1\par
 ASSI \{ 746\}\par
   (( segid " " and resid 52 and name HN ))\par
   (( segid " " and resid 52 and name HA ))\par
   3.200 1.300 1.300 peak 746 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 8.203 ppm2 4.234 CV 1\par
 ASSI \{ 748\}\par
   (( segid " " and resid 52 and name HN ))\par
   (( segid " " and resid 49 and name HA ))\par
   3.000 3.000 3.000 peak 748 spectrum 1 weight 0.11000E+01 volume 0.14009E-02 ppm1 8.207 ppm2 3.788 CV 1\par
 ASSI \{ 751\}\par
   (( segid " " and resid 52 and name HN ))\par
   (( segid " " and resid 53 and name HB2 ))\par
   3.600 1.600 1.600 peak 751 spectrum 1 weight 0.11000E+01 volume 0.16140E-02 ppm1 8.207 ppm2 2.468 CV 1\par
 ASSI \{ 753\}\par
   (( segid " " and resid 52 and name HN ))\par
   (( segid " " and resid 54 and name HB2 ))\par
   4.000 2.000 2.000 peak 753 spectrum 1 weight 0.11000E+01 volume 0.92941E-03 ppm1 8.207 ppm2 1.841 CV 1\par
 ASSI \{ 754\}\par
   (( segid " " and resid 52 and name HN ))\par
   ( segid " " and resid 38 and name HD1% )\par
   3.600 1.600 1.600 peak 754 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 8.207 ppm2 0.874 CV 1\par
 ASSI \{ 756\}\par
   (( segid " " and resid 52 and name HN ))\par
   (( segid " " and resid 51 and name HA ))\par
   3.100 1.200 1.200 peak 756 spectrum 1 weight 0.11000E+01 volume 0.19087E-02 ppm1 8.193 ppm2 4.035 CV 1\par
 ASSI \{ 759\}\par
   (( segid " " and resid 28 and name HN ))\par
   (( segid " " and resid 29 and name HN ))\par
   3.200 1.300 1.300 peak 759 spectrum 1 weight 0.11000E+01 volume 0.25978E-02 ppm1 8.789 ppm2 8.500 CV 1\par
 ASSI \{ 767\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 90 and name HB ))\par
   3.200 1.300 1.300 peak 767 spectrum 1 weight 0.11000E+01 volume 0.15415E-02 ppm1 8.476 ppm2 1.998 CV 1\par
 ASSI \{ 776\}\par
   (( segid " " and resid 89 and name HN ))\par
   (( segid " " and resid 88 and name HA ))\par
   3.200 1.300 1.300 peak 776 spectrum 1 weight 0.11000E+01 volume 0.10201E-02 ppm1 7.815 ppm2 4.448 CV 1\par
 ASSI \{ 777\}\par
   (( segid " " and resid 89 and name HN ))\par
   (( segid " " and resid 89 and name HA ))\par
   3.000 1.100 1.100 peak 777 spectrum 1 weight 0.11000E+01 volume 0.13238E-02 ppm1 7.816 ppm2 4.192 CV 1\par
 ASSI \{ 778\}\par
   (( segid " " and resid 89 and name HN ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   3.900 1.900 1.900 peak 778 spectrum 1 weight 0.11000E+01 volume 0.11787E-02 ppm1 7.815 ppm2 3.127 CV 1\par
 ASSI \{ 779\}\par
   (( segid " " and resid 89 and name HN ))\par
   (( segid " " and resid 89 and name HB ))\par
   3.100 1.200 1.200 peak 779 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 7.815 ppm2 1.748 CV 1\par
 ASSI \{ 781\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 88 and name HN ))\par
   3.200 3.200 2.800 peak 781 spectrum 1 weight 0.11000E+01 volume 0.29423E-02 ppm1 7.700 ppm2 7.987 CV 1\par
 ASSI \{ 786\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 82 and name HA ))\par
   2.700 0.900 0.900 peak 786 spectrum 1 weight 0.11000E+01 volume 0.24074E-02 ppm1 7.698 ppm2 3.918 CV 1\par
 ASSI \{ 787\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 83 and name HA ))\par
   3.100 1.200 1.200 peak 787 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 7.700 ppm2 3.623 CV 1\par
 ASSI \{ 788\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   3.100 1.200 1.200 peak 788 spectrum 1 weight 0.11000E+01 volume 0.17681E-02 ppm1 7.701 ppm2 3.158 CV 1\par
 ASSI \{ 789\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 83 and name HB2 ))\par
   3.300 1.300 1.300 peak 789 spectrum 1 weight 0.11000E+01 volume 0.13782E-02 ppm1 7.702 ppm2 1.827 CV 1\par
 ASSI \{ 790\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 83 and name HD1 ))\par
   3.900 1.900 1.900 peak 790 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 7.701 ppm2 1.619 CV 1\par
 ASSI \{ 791\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 84 and name HB ))\par
   3.200 1.300 1.300 peak 791 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 7.700 ppm2 1.358 CV 1\par
 ASSI \{ 792\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 84 and name HG11 ))\par
   3.100 1.200 1.200 peak 792 spectrum 1 weight 0.11000E+01 volume 0.10473E-02 ppm1 7.700 ppm2 0.896 CV 1\par
 ASSI \{ 794\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 84 and name HG21 ))\par
   3.600 1.600 1.600 peak 794 spectrum 1 weight 0.11000E+01 volume 0.13510E-02 ppm1 7.700 ppm2 0.356 CV 1\par
 ASSI \{ 795\}\par
   (( segid " " and resid 84 and name HN ))\par
   (( segid " " and resid 84 and name HD11 ))\par
   3.800 1.800 1.800 peak 795 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 7.700 ppm2 -0.138 CV 1\par
 ASSI \{ 797\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 41 and name HB1 ))\par
   3.200 3.200 2.800 peak 797 spectrum 1 weight 0.11000E+01 volume 0.28471E-02 ppm1 8.637 ppm2 1.626 CV 1\par
 ASSI \{ 804\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 90 and name HA ))\par
   3.500 3.500 2.500 peak 804 spectrum 1 weight 0.11000E+01 volume 0.11062E-02 ppm1 8.535 ppm2 4.326 CV 1\par
 ASSI \{ 809\}\par
   (( segid " " and resid 29 and name HN ))\par
   (( segid " " and resid 35 and name HB2 ))\par
   3.500 3.500 2.500 peak 809 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 8.534 ppm2 2.640 CV 1\par
 ASSI \{ 817\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 39 and name HN ))\par
   3.400 1.500 1.500 peak 817 spectrum 1 weight 0.11000E+01 volume 0.16911E-02 ppm1 8.651 ppm2 8.463 CV 1\par
 ASSI \{ 818\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 41 and name HB2 ))\par
   3.100 3.100 2.900 peak 818 spectrum 1 weight 0.11000E+01 volume 0.26159E-02 ppm1 8.651 ppm2 1.543 CV 1\par
 ASSI \{ 821\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 41 and name HN ))\par
   3.000 3.000 3.000 peak 821 spectrum 1 weight 0.11000E+01 volume 0.29197E-02 ppm1 8.646 ppm2 8.042 CV 1\par
 ASSI \{ 822\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 41 and name HA ))\par
   3.500 1.500 1.500 peak 822 spectrum 1 weight 0.11000E+01 volume 0.13238E-02 ppm1 8.643 ppm2 4.936 CV 1\par
 ASSI \{ 824\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 40 and name HA ))\par
   3.100 3.100 2.900 peak 824 spectrum 1 weight 0.11000E+01 volume 0.96115E-03 ppm1 8.644 ppm2 4.435 CV 1\par
 ASSI \{ 826\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 24 and name HB1 ))\par
   3.300 1.400 1.400 peak 826 spectrum 1 weight 0.11000E+01 volume 0.14644E-02 ppm1 8.644 ppm2 2.327 CV 1\par
 ASSI \{ 827\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 39 and name HB ))\par
   3.500 1.600 1.600 peak 827 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 8.645 ppm2 1.927 CV 1\par
 ASSI \{ 829\}\par
   (( segid " " and resid 40 and name HN ))\par
   (( segid " " and resid 38 and name HG ))\par
   3.000 3.000 3.000 peak 829 spectrum 1 weight 0.11000E+01 volume 0.21127E-02 ppm1 8.643 ppm2 1.117 CV 1\par
 ASSI \{ 830\}\par
   (( segid " " and resid 40 and name HN ))\par
   ( segid " " and resid 40 and name HG2% )\par
   3.100 1.200 1.200 peak 830 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 8.644 ppm2 0.836 CV 1\par
 ASSI \{ 853\}\par
   (( segid " " and resid 78 and name HN ))\par
   (( segid " " and resid 77 and name HN ))\par
   3.600 1.600 1.600 peak 853 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 8.725 ppm2 7.645 CV 1\par
 ASSI \{ 855\}\par
   (( segid " " and resid 78 and name HN ))\par
   (( segid " " and resid 77 and name HA ))\par
   3.200 1.300 1.300 peak 855 spectrum 1 weight 0.11000E+01 volume 0.10201E-02 ppm1 8.723 ppm2 4.171 CV 1\par
 ASSI \{ 858\}\par
   (( segid " " and resid 78 and name HN ))\par
   (( segid " " and resid 77 and name HB2 ))\par
   3.700 1.700 1.700 peak 858 spectrum 1 weight 0.11000E+01 volume 0.10972E-02 ppm1 8.724 ppm2 2.063 CV 1\par
 ASSI \{ 859\}\par
   (( segid " " and resid 78 and name HN ))\par
   (( segid " " and resid 77 and name HB1 ))\par
   3.100 1.200 1.200 peak 859 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 8.723 ppm2 1.851 CV 1\par
 ASSI \{ 860\}\par
   (( segid " " and resid 78 and name HN ))\par
   (( segid " " and resid 78 and name HB2 ))\par
   3.700 1.700 1.700 peak 860 spectrum 1 weight 0.11000E+01 volume 0.10382E-02 ppm1 8.724 ppm2 1.607 CV 1\par
 ASSI \{ 861\}\par
   (( segid " " and resid 78 and name HN ))\par
   ( segid " " and resid 46 and name HG2% )\par
   3.900 1.900 1.900 peak 861 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 8.724 ppm2 0.796 CV 1\par
 ASSI \{ 870\}\par
   (( segid " " and resid 37 and name HN ))\par
   (( segid " " and resid 36 and name HN ))\par
   3.300 1.300 1.300 peak 870 spectrum 1 weight 0.11000E+01 volume 0.13692E-02 ppm1 8.368 ppm2 8.919 CV 1\par
 ASSI \{ 876\}\par
   (( segid " " and resid 37 and name HN ))\par
   (( segid " " and resid 37 and name HA ))\par
   2.900 1.100 1.100 peak 876 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 8.365 ppm2 5.068 CV 1\par
 ASSI \{ 878\}\par
   (( segid " " and resid 37 and name HN ))\par
   (( segid " " and resid 36 and name HA ))\par
   3.300 1.300 1.300 peak 878 spectrum 1 weight 0.11000E+01 volume 0.95210E-03 ppm1 8.367 ppm2 4.714 CV 1\par
 ASSI \{ 879\}\par
   (( segid " " and resid 37 and name HN ))\par
   (( segid " " and resid 38 and name HA ))\par
   3.100 3.100 2.900 peak 879 spectrum 1 weight 0.11000E+01 volume 0.17591E-02 ppm1 8.369 ppm2 4.549 CV 1\par
 ASSI \{ 881\}\par
   (( segid " " and resid 37 and name HN ))\par
   (( segid " " and resid 37 and name HB2 ))\par
   3.700 1.700 1.700 peak 881 spectrum 1 weight 0.11000E+01 volume 0.85688E-03 ppm1 8.368 ppm2 1.571 CV 1\par
 ASSI \{ 904\}\par
   (( segid " " and resid 78 and name HN ))\par
   (( segid " " and resid 78 and name HA ))\par
   3.000 1.100 1.100 peak 904 spectrum 1 weight 0.11000E+01 volume 0.13963E-02 ppm1 8.725 ppm2 4.712 CV 1\par
 ASSI \{ 908\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 45 and name HN ))\par
   2.900 2.900 3.100 peak 908 spectrum 1 weight 0.11000E+01 volume 0.21263E-02 ppm1 8.502 ppm2 8.117 CV 1\par
 ASSI \{ 909\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 48 and name HN ))\par
   2.900 1.100 1.100 peak 909 spectrum 1 weight 0.11000E+01 volume 0.13692E-02 ppm1 8.501 ppm2 7.728 CV 1\par
 ASSI \{ 911\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 48 and name HA ))\par
   3.100 1.200 1.200 peak 911 spectrum 1 weight 0.11000E+01 volume 0.16095E-02 ppm1 8.501 ppm2 4.089 CV 1\par
 ASSI \{ 913\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 48 and name HB2 ))\par
   2.900 1.100 1.100 peak 913 spectrum 1 weight 0.11000E+01 volume 0.13692E-02 ppm1 8.500 ppm2 3.376 CV 1\par
 ASSI \{ 914\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 48 and name HB1 ))\par
   3.400 1.400 1.400 peak 914 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 8.502 ppm2 3.224 CV 1\par
 ASSI \{ 916\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 40 and name HB ))\par
   3.500 1.600 1.600 peak 916 spectrum 1 weight 0.11000E+01 volume 0.12921E-02 ppm1 8.501 ppm2 2.485 CV 1\par
 ASSI \{ 917\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.000 1.100 1.100 peak 917 spectrum 1 weight 0.11000E+01 volume 0.10019E-02 ppm1 8.500 ppm2 1.933 CV 1\par
 ASSI \{ 918\}\par
   (( segid " " and resid 49 and name HN ))\par
   ( segid " " and resid 46 and name HG2% )\par
   4.100 2.100 1.900 peak 918 spectrum 1 weight 0.11000E+01 volume 0.14417E-02 ppm1 8.501 ppm2 0.804 CV 1\par
 ASSI \{ 919\}\par
   (( segid " " and resid 49 and name HN ))\par
   ( segid " " and resid 46 and name HG1% )\par
   3.500 1.500 1.500 peak 919 spectrum 1 weight 0.11000E+01 volume 0.20674E-02 ppm1 8.502 ppm2 0.165 CV 1\par
 ASSI \{ 920\}\par
   (( segid " " and resid 49 and name HN ))\par
   (( segid " " and resid 52 and name HN ))\par
   3.400 3.400 2.600 peak 920 spectrum 1 weight 0.11000E+01 volume 0.14598E-02 ppm1 8.469 ppm2 8.191 CV 1\par
 ASSI \{ 931\}\par
   (( segid " " and resid 98 and name HN ))\par
   (( segid " " and resid 98 and name HA ))\par
   3.100 1.200 1.200 peak 931 spectrum 1 weight 0.11000E+01 volume 0.16321E-02 ppm1 8.203 ppm2 4.035 CV 1\par
 ASSI \{ 936\}\par
   (( segid " " and resid 98 and name HN ))\par
   (( segid " " and resid 99 and name HN ))\par
   2.900 1.100 1.100 peak 936 spectrum 1 weight 0.11000E+01 volume 0.21036E-02 ppm1 8.192 ppm2 8.462 CV 1\par
 ASSI \{ 946\}\par
   (( segid " " and resid 51 and name HN ))\par
   (( segid " " and resid 50 and name HA ))\par
   2.900 1.100 1.100 peak 946 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 7.447 ppm2 4.551 CV 1\par
 ASSI \{ 948\}\par
   (( segid " " and resid 51 and name HN ))\par
   (( segid " " and resid 51 and name HA ))\par
   3.100 1.200 1.200 peak 948 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 7.446 ppm2 4.040 CV 1\par
 ASSI \{ 950\}\par
   (( segid " " and resid 51 and name HN ))\par
   (( segid " " and resid 49 and name HB2 ))\par
   2.900 2.900 3.100 peak 950 spectrum 1 weight 0.11000E+01 volume 0.99742E-03 ppm1 7.445 ppm2 1.948 CV 1\par
 ASSI \{ 955\}\par
   (( segid " " and resid 51 and name HN ))\par
   (( segid " " and resid 53 and name HN ))\par
   3.000 1.100 1.100 peak 955 spectrum 1 weight 0.11000E+01 volume 0.19223E-02 ppm1 7.442 ppm2 8.661 CV 1\par
 ASSI \{ 957\}\par
   (( segid " " and resid 51 and name HN ))\par
   (( segid " " and resid 49 and name HA ))\par
   2.800 2.800 3.200 peak 957 spectrum 1 weight 0.11000E+01 volume 0.20538E-02 ppm1 7.443 ppm2 3.775 CV 1\par
 ASSI \{ 959\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 93 and name HN ))\par
   3.700 1.700 1.700 peak 959 spectrum 1 weight 0.11000E+01 volume 0.17455E-02 ppm1 9.439 ppm2 9.706 CV 1\par
 ASSI \{ 962\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 68 and name HN ))\par
   3.400 1.400 1.400 peak 962 spectrum 1 weight 0.11000E+01 volume 0.15823E-02 ppm1 9.443 ppm2 9.050 CV 1\par
 ASSI \{ 964\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 73 and name HN ))\par
   2.900 1.100 1.100 peak 964 spectrum 1 weight 0.11000E+01 volume 0.24572E-02 ppm1 9.443 ppm2 8.196 CV 1\par
 ASSI \{ 966\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 66 and name HA ))\par
   3.000 1.100 1.100 peak 966 spectrum 1 weight 0.11000E+01 volume 0.10518E-02 ppm1 9.440 ppm2 5.498 CV 1\par
 ASSI \{ 968\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 90 and name HA ))\par
   3.300 1.400 1.400 peak 968 spectrum 1 weight 0.11000E+01 volume 0.20311E-02 ppm1 9.441 ppm2 4.274 CV 1\par
 ASSI \{ 969\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 67 and name HB2 ))\par
   3.100 1.200 1.200 peak 969 spectrum 1 weight 0.11000E+01 volume 0.10881E-02 ppm1 9.441 ppm2 2.974 CV 1\par
 ASSI \{ 970\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 67 and name HB1 ))\par
   3.500 1.500 1.500 peak 970 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 9.439 ppm2 2.800 CV 1\par
 ASSI \{ 972\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 90 and name HG11 ))\par
   3.300 1.400 1.400 peak 972 spectrum 1 weight 0.11000E+01 volume 0.12830E-02 ppm1 9.441 ppm2 0.848 CV 1\par
 ASSI \{ 974\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 68 and name HA ))\par
   3.300 3.300 2.700 peak 974 spectrum 1 weight 0.11000E+01 volume 0.14462E-02 ppm1 9.437 ppm2 5.351 CV 1\par
 ASSI \{ 975\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   4.300 4.300 1.700 peak 975 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 9.439 ppm2 1.102 CV 1\par
 ASSI \{ 976\}\par
   (( segid " " and resid 67 and name HN ))\par
   (( segid " " and resid 92 and name HG21 ))\par
   3.600 3.600 2.400 peak 976 spectrum 1 weight 0.11000E+01 volume 0.26522E-02 ppm1 9.436 ppm2 -0.370 CV 1\par
 ASSI \{ 980\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 35 and name HA ))\par
   3.200 1.300 1.300 peak 980 spectrum 1 weight 0.11000E+01 volume 0.10065E-02 ppm1 8.908 ppm2 5.409 CV 1\par
 ASSI \{ 981\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 37 and name HA ))\par
   3.400 1.500 1.500 peak 981 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 8.908 ppm2 5.031 CV 1\par
 ASSI \{ 982\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 36 and name HA ))\par
   3.100 1.200 1.200 peak 982 spectrum 1 weight 0.11000E+01 volume 0.11787E-02 ppm1 8.908 ppm2 4.710 CV 1\par
 ASSI \{ 983\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 35 and name HB2 ))\par
   3.900 1.900 1.900 peak 983 spectrum 1 weight 0.11000E+01 volume 0.12422E-02 ppm1 8.907 ppm2 2.628 CV 1\par
 ASSI \{ 984\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 35 and name HB1 ))\par
   3.900 1.900 1.900 peak 984 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 8.908 ppm2 2.523 CV 1\par
 ASSI \{ 985\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 37 and name HB2 ))\par
   4.000 2.000 2.000 peak 985 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 8.908 ppm2 1.577 CV 1\par
 ASSI \{ 986\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 37 and name HB1 ))\par
   3.800 3.800 2.200 peak 986 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 8.908 ppm2 1.418 CV 1\par
 ASSI \{ 987\}\par
   (( segid " " and resid 36 and name HN ))\par
   (( segid " " and resid 28 and name HB1 ))\par
   3.600 1.600 1.600 peak 987 spectrum 1 weight 0.11000E+01 volume 0.17001E-02 ppm1 8.908 ppm2 0.993 CV 1\par
 ASSI \{ 988\}\par
   (( segid " " and resid 36 and name HN ))\par
   ( segid " " and resid 30 and name HD2% )\par
   3.500 1.600 1.600 peak 988 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.908 ppm2 0.733 CV 1\par
 ASSI \{ 994\}\par
   (( segid " " and resid 25 and name HN ))\par
   (( segid " " and resid 24 and name HA ))\par
   3.300 1.400 1.400 peak 994 spectrum 1 weight 0.11000E+01 volume 0.81156E-03 ppm1 8.545 ppm2 4.768 CV 1\par
 ASSI \{ 1014\}\par
   (( segid " " and resid 25 and name HN ))\par
   (( segid " " and resid 26 and name HN ))\par
   2.900 1.100 1.100 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.24210E-02 ppm1 8.545 ppm2 9.078 CV 1\par
 ASSI \{ 1015\}\par
   (( segid " " and resid 25 and name HN ))\par
   (( segid " " and resid 24 and name HN ))\par
   3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.24391E-02 ppm1 8.544 ppm2 8.924 CV 1\par
 ASSI \{ 1019\}\par
   (( segid " " and resid 25 and name HN ))\par
   (( segid " " and resid 25 and name HA ))\par
   2.900 1.100 1.100 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.20084E-02 ppm1 8.547 ppm2 4.932 CV 1\par
 ASSI \{ 1021\}\par
   (( segid " " and resid 25 and name HN ))\par
   (( segid " " and resid 24 and name HB2 ))\par
   3.600 1.700 1.700 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.20764E-02 ppm1 8.544 ppm2 2.706 CV 1\par
 ASSI \{ 1022\}\par
   (( segid " " and resid 25 and name HN ))\par
   (( segid " " and resid 24 and name HB1 ))\par
   3.300 1.400 1.400 peak 1022 spectrum 1 weight 0.11000E+01 volume 0.21263E-02 ppm1 8.544 ppm2 2.341 CV 1\par
 ASSI \{ 1039\}\par
   (( segid " " and resid 74 and name HN ))\par
   (( segid " " and resid 73 and name HA ))\par
   3.100 3.100 2.900 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 8.227 ppm2 4.200 CV 1\par
 ASSI \{ 1043\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 78 and name HB2 ))\par
   3.300 3.300 2.700 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.17772E-02 ppm1 7.645 ppm2 1.634 CV 1\par
 ASSI \{ 1049\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 46 and name HB ))\par
   3.000 1.100 1.100 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.13465E-02 ppm1 7.651 ppm2 2.315 CV 1\par
 ASSI \{ 1050\}\par
   (( segid " " and resid 77 and name HN ))\par
   ( segid " " and resid 46 and name HG1% )\par
   3.500 1.500 1.500 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.20901E-02 ppm1 7.649 ppm2 0.140 CV 1\par
 ASSI \{ 1053\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 76 and name HN ))\par
   3.100 1.200 1.200 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.10881E-02 ppm1 7.646 ppm2 7.920 CV 1\par
 ASSI \{ 1055\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 45 and name HB ))\par
   2.700 2.700 3.300 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.29333E-02 ppm1 7.643 ppm2 4.851 CV 1\par
 ASSI \{ 1056\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 78 and name HA ))\par
   3.200 3.200 2.800 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.19540E-02 ppm1 7.646 ppm2 4.760 CV 1\par
 ASSI \{ 1058\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 76 and name HA ))\par
   3.200 1.300 1.300 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.646 ppm2 4.334 CV 1\par
 ASSI \{ 1059\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 77 and name HA ))\par
   3.100 1.200 1.200 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 7.646 ppm2 4.173 CV 1\par
 ASSI \{ 1062\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 77 and name HB2 ))\par
   3.000 1.100 1.100 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.10564E-02 ppm1 7.646 ppm2 2.068 CV 1\par
 ASSI \{ 1063\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 77 and name HB1 ))\par
   3.900 1.900 1.900 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.11334E-02 ppm1 7.645 ppm2 1.841 CV 1\par
 ASSI \{ 1064\}\par
   (( segid " " and resid 77 and name HN ))\par
   (( segid " " and resid 77 and name HG2 ))\par
   2.800 1.000 1.000 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 7.646 ppm2 1.393 CV 1\par
 ASSI \{ 1065\}\par
   (( segid " " and resid 77 and name HN ))\par
   ( segid " " and resid 46 and name HG2% )\par
   3.800 1.900 1.900 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.13329E-02 ppm1 7.646 ppm2 0.792 CV 1\par
 ASSI \{ 1071\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 45 and name HA ))\par
   3.200 3.200 2.800 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.16865E-02 ppm1 8.719 ppm2 5.334 CV 1\par
 ASSI \{ 1072\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 49 and name HA ))\par
   3.700 3.700 2.300 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.719 ppm2 4.780 CV 1\par
 ASSI \{ 1073\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 49 and name HB2 ))\par
   3.600 3.600 2.400 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.715 ppm2 3.715 CV 1\par
 ASSI \{ 1074\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 47 and name HB2 ))\par
   3.200 1.300 1.300 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 8.716 ppm2 2.974 CV 1\par
 ASSI \{ 1076\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 46 and name HB ))\par
   3.100 1.200 1.200 peak 1076 spectrum 1 weight 0.11000E+01 volume 0.13012E-02 ppm1 8.715 ppm2 2.321 CV 1\par
 ASSI \{ 1078\}\par
   (( segid " " and resid 47 and name HN ))\par
   ( segid " " and resid 46 and name HG2% )\par
   3.700 1.700 1.700 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.15052E-02 ppm1 8.715 ppm2 0.797 CV 1\par
 ASSI \{ 1079\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 48 and name HN ))\par
   3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 8.714 ppm2 7.726 CV 1\par
 ASSI \{ 1081\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 45 and name HB ))\par
   3.500 1.500 1.500 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.714 ppm2 4.871 CV 1\par
 ASSI \{ 1082\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 75 and name HA ))\par
   3.000 1.200 1.200 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.714 ppm2 4.278 CV 1\par
 ASSI \{ 1083\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 46 and name HA ))\par
   2.900 1.000 1.000 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.15958E-02 ppm1 8.714 ppm2 3.242 CV 1\par
 ASSI \{ 1084\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 47 and name HB1 ))\par
   3.000 1.100 1.100 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 8.713 ppm2 2.839 CV 1\par
 ASSI \{ 1085\}\par
   (( segid " " and resid 47 and name HN ))\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.100 3.100 2.900 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.19268E-02 ppm1 8.712 ppm2 1.934 CV 1\par
 ASSI \{ 1086\}\par
   (( segid " " and resid 47 and name HN ))\par
   ( segid " " and resid 46 and name HG1% )\par
   3.300 1.300 1.300 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.14372E-02 ppm1 8.713 ppm2 0.143 CV 1\par
 ASSI \{ 1096\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 33 and name HN ))\par
   2.700 0.900 0.900 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.18361E-02 ppm1 6.859 ppm2 8.159 CV 1\par
 ASSI \{ 1098\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 32 and name HN ))\par
   4.000 2.000 2.000 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.96115E-03 ppm1 6.858 ppm2 6.981 CV 1\par
 ASSI \{ 1101\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 29 and name HA ))\par
   3.200 1.300 1.300 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.18769E-02 ppm1 6.858 ppm2 5.027 CV 1\par
 ASSI \{ 1102\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 34 and name HA ))\par
   3.200 1.300 1.300 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 6.858 ppm2 4.415 CV 1\par
 ASSI \{ 1104\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 33 and name HA1 ))\par
   3.700 1.700 1.700 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 6.859 ppm2 3.613 CV 1\par
 ASSI \{ 1106\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   3.100 1.200 1.200 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 6.859 ppm2 1.898 CV 1\par
 ASSI \{ 1108\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 34 and name HG2 ))\par
   3.500 1.600 1.600 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 6.858 ppm2 1.275 CV 1\par
 ASSI \{ 1110\}\par
   (( segid " " and resid 34 and name HN ))\par
   ( segid " " and resid 30 and name HD2% )\par
   3.700 1.700 1.700 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.13601E-02 ppm1 6.859 ppm2 0.742 CV 1\par
   OR \{ 1110\}\par
   (( segid " " and resid 34 and name HN ))\par
   ( segid " " and resid 30 and name HD1% )\par
 ASSI \{ 1111\}\par
   (( segid " " and resid 34 and name HN ))\par
   (( segid " " and resid 30 and name HA ))\par
   2.900 1.100 1.100 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.25933E-02 ppm1 6.857 ppm2 5.224 CV 1\par
 ASSI \{ 1113\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 51 and name HN ))\par
   2.900 1.000 1.000 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.14508E-02 ppm1 8.424 ppm2 7.446 CV 1\par
 ASSI \{ 1116\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 50 and name HA ))\par
   2.900 1.000 1.000 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.14055E-02 ppm1 8.426 ppm2 4.553 CV 1\par
 ASSI \{ 1117\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 48 and name HA ))\par
   3.300 1.300 1.300 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.16956E-02 ppm1 8.427 ppm2 4.086 CV 1\par
 ASSI \{ 1118\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 48 and name HB1 ))\par
   3.500 1.500 1.500 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.16548E-02 ppm1 8.427 ppm2 3.245 CV 1\par
 ASSI \{ 1119\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 47 and name HB2 ))\par
   3.500 3.500 2.500 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.427 ppm2 2.947 CV 1\par
 ASSI \{ 1120\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 53 and name HB2 ))\par
   3.600 1.600 1.600 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.16004E-02 ppm1 8.426 ppm2 2.476 CV 1\par
 ASSI \{ 1126\}\par
   (( segid " " and resid 50 and name HN ))\par
   ( segid " " and resid 46 and name HG1% )\par
   3.100 1.200 1.200 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.16638E-02 ppm1 8.426 ppm2 0.153 CV 1\par
 ASSI \{ 1144\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 69 and name HN ))\par
   3.300 3.300 2.700 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.17364E-02 ppm1 9.042 ppm2 8.879 CV 1\par
 ASSI \{ 1145\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 73 and name HN ))\par
   3.300 1.400 1.400 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 9.041 ppm2 8.219 CV 1\par
 ASSI \{ 1146\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 71 and name HN ))\par
   3.000 1.200 1.200 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.13329E-02 ppm1 9.043 ppm2 8.044 CV 1\par
 ASSI \{ 1149\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 67 and name HA ))\par
   3.100 1.200 1.200 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 9.041 ppm2 5.351 CV 1\par
 ASSI \{ 1150\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 70 and name HA2 ))\par
   3.600 1.600 1.600 peak 1150 spectrum 1 weight 0.11000E+01 volume 0.14825E-02 ppm1 9.043 ppm2 4.202 CV 1\par
 ASSI \{ 1151\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 68 and name HB1 ))\par
   3.000 1.100 1.100 peak 1151 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 9.041 ppm2 2.970 CV 1\par
 ASSI \{ 1152\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 67 and name HB1 ))\par
   3.200 1.300 1.300 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.13283E-02 ppm1 9.040 ppm2 2.801 CV 1\par
 ASSI \{ 1153\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 71 and name HB2 ))\par
   3.100 1.200 1.200 peak 1153 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 9.041 ppm2 1.996 CV 1\par
 ASSI \{ 1156\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 68 and name HB2 ))\par
   3.600 1.600 1.600 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 9.039 ppm2 3.244 CV 1\par
 ASSI \{ 1158\}\par
   (( segid " " and resid 68 and name HN ))\par
   (( segid " " and resid 90 and name HG11 ))\par
   2.800 1.000 1.000 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.20946E-02 ppm1 9.038 ppm2 0.848 CV 1\par
 ASSI \{ 1164\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 53 and name HN ))\par
   3.100 1.200 1.200 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.25752E-02 ppm1 8.427 ppm2 8.666 CV 1\par
 ASSI \{ 1165\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 47 and name HA ))\par
   3.100 1.200 1.200 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.16140E-02 ppm1 8.423 ppm2 3.743 CV 1\par
 ASSI \{ 1166\}\par
   (( segid " " and resid 50 and name HN ))\par
   (( segid " " and resid 49 and name HB1 ))\par
   2.800 1.000 1.000 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 8.428 ppm2 1.938 CV 1\par
 ASSI \{ 1186\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 80 and name HN ))\par
   3.300 1.400 1.400 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.19540E-02 ppm1 7.406 ppm2 8.909 CV 1\par
 ASSI \{ 1189\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 83 and name HN ))\par
   2.900 1.100 1.100 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 7.407 ppm2 7.219 CV 1\par
 ASSI \{ 1190\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 81 and name HA ))\par
   3.200 1.300 1.300 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.14916E-02 ppm1 7.407 ppm2 4.207 CV 1\par
 ASSI \{ 1191\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 82 and name HA ))\par
   3.000 1.100 1.100 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 7.408 ppm2 3.917 CV 1\par
 ASSI \{ 1192\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 81 and name HG2 ))\par
   3.400 1.400 1.400 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.21444E-02 ppm1 7.407 ppm2 2.477 CV 1\par
 ASSI \{ 1193\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 81 and name HB1 ))\par
   3.100 1.200 1.200 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.13465E-02 ppm1 7.408 ppm2 2.104 CV 1\par
 ASSI \{ 1195\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 82 and name HB2 ))\par
   3.100 1.200 1.200 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.11380E-02 ppm1 7.408 ppm2 1.578 CV 1\par
 ASSI \{ 1196\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 83 and name HG2 ))\par
   3.200 1.300 1.300 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.21762E-02 ppm1 7.407 ppm2 1.243 CV 1\par
 ASSI \{ 1197\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 82 and name HB1 ))\par
   3.600 1.700 1.700 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 7.405 ppm2 1.012 CV 1\par
 ASSI \{ 1198\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 82 and name HD21 ))\par
   2.800 1.000 1.000 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.11924E-02 ppm1 7.406 ppm2 0.803 CV 1\par
 ASSI \{ 1204\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 83 and name HA ))\par
   3.600 1.600 1.600 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.17046E-02 ppm1 7.406 ppm2 3.626 CV 1\par
 ASSI \{ 1205\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 81 and name HB2 ))\par
   3.900 1.900 1.900 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 7.407 ppm2 2.303 CV 1\par
 ASSI \{ 1206\}\par
   (( segid " " and resid 82 and name HN ))\par
   (( segid " " and resid 82 and name HD11 ))\par
   3.100 1.200 1.200 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 7.408 ppm2 0.697 CV 1\par
 ASSI \{ 1217\}\par
   (( segid " " and resid 31 and name HN ))\par
   (( segid " " and resid 92 and name HG21 ))\par
   2.800 2.800 3.200 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.28834E-02 ppm1 9.011 ppm2 -0.387 CV 1\par
 ASSI \{ 1218\}\par
   (( segid " " and resid 31 and name HN ))\par
   (( segid " " and resid 30 and name HB1 ))\par
   3.200 1.300 1.300 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 9.005 ppm2 1.628 CV 1\par
 ASSI \{ 1236\}\par
   (( segid " " and resid 31 and name HN ))\par
   (( segid " " and resid 32 and name HN ))\par
   2.700 0.900 0.900 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.23258E-02 ppm1 9.010 ppm2 6.964 CV 1\par
 ASSI \{ 1237\}\par
   (( segid " " and resid 31 and name HN ))\par
   (( segid " " and resid 30 and name HA ))\par
   2.800 1.000 1.000 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.18044E-02 ppm1 9.008 ppm2 5.223 CV 1\par
 ASSI \{ 1239\}\par
   (( segid " " and resid 31 and name HN ))\par
   (( segid " " and resid 31 and name HA ))\par
   2.900 1.000 1.000 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.19449E-02 ppm1 9.010 ppm2 4.196 CV 1\par
 ASSI \{ 1241\}\par
   (( segid " " and resid 31 and name HN ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   2.900 1.100 1.100 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.24799E-02 ppm1 9.007 ppm2 1.897 CV 1\par
 ASSI \{ 1245\}\par
   (( segid " " and resid 31 and name HN ))\par
   ( segid " " and resid 30 and name HD1% )\par
   3.300 1.300 1.300 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.13375E-02 ppm1 9.009 ppm2 0.718 CV 1\par
 ASSI \{ 1271\}\par
   (( segid " " and resid 75 and name HN ))\par
   (( segid " " and resid 76 and name HN ))\par
   3.100 1.200 1.200 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.12875E-02 ppm1 8.145 ppm2 7.916 CV 1\par
 ASSI \{ 1272\}\par
   (( segid " " and resid 75 and name HN ))\par
   (( segid " " and resid 47 and name HB1 ))\par
   4.200 4.200 1.800 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.17001E-02 ppm1 8.146 ppm2 2.846 CV 1\par
 ASSI \{ 1273\}\par
   (( segid " " and resid 75 and name HN ))\par
   (( segid " " and resid 46 and name HB ))\par
   3.400 1.400 1.400 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.17545E-02 ppm1 8.145 ppm2 2.320 CV 1\par
 ASSI \{ 1274\}\par
   (( segid " " and resid 75 and name HN ))\par
   (( segid " " and resid 76 and name HB1 ))\par
   3.800 3.800 2.200 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.29423E-02 ppm1 8.146 ppm2 1.789 CV 1\par
 ASSI \{ 1275\}\par
   (( segid " " and resid 75 and name HN ))\par
   (( segid " " and resid 77 and name HN ))\par
   3.400 1.400 1.400 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.21807E-02 ppm1 8.140 ppm2 7.660 CV 1\par
 ASSI \{ 1277\}\par
   (( segid " " and resid 75 and name HN ))\par
   (( segid " " and resid 75 and name HA ))\par
   3.100 1.200 1.200 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.143 ppm2 4.275 CV 1\par
 ASSI \{ 1279\}\par
   (( segid " " and resid 75 and name HN ))\par
   (( segid " " and resid 76 and name HG2 ))\par
   3.400 3.400 2.600 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.18044E-02 ppm1 8.142 ppm2 1.411 CV 1\par
 ASSI \{ 1281\}\par
   (( segid " " and resid 75 and name HN ))\par
   ( segid " " and resid 46 and name HG1% )\par
   3.200 1.300 1.300 peak 1281 spectrum 1 weight 0.11000E+01 volume 0.17818E-02 ppm1 8.144 ppm2 0.141 CV 1\par
 ASSI \{ 1286\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 45 and name HG21 ))\par
   2.700 2.700 3.300 peak 1286 spectrum 1 weight 0.11000E+01 volume 0.18860E-02 ppm1 7.720 ppm2 1.385 CV 1\par
 ASSI \{ 1295\}\par
   (( segid " " and resid 64 and name HN ))\par
   (( segid " " and resid 63 and name HA ))\par
   3.400 3.400 2.600 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.74808E-03 ppm1 7.387 ppm2 4.758 CV 1\par
 ASSI \{ 1323\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 49 and name HA ))\par
   3.900 3.900 2.100 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 7.726 ppm2 4.759 CV 1\par
 ASSI \{ 1324\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 48 and name HA ))\par
   2.900 1.100 1.100 peak 1324 spectrum 1 weight 0.11000E+01 volume 0.13510E-02 ppm1 7.724 ppm2 4.089 CV 1\par
 ASSI \{ 1325\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 47 and name HA ))\par
   3.200 1.300 1.300 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 7.723 ppm2 3.722 CV 1\par
 ASSI \{ 1326\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 48 and name HB2 ))\par
   2.800 1.000 1.000 peak 1326 spectrum 1 weight 0.11000E+01 volume 0.12105E-02 ppm1 7.723 ppm2 3.381 CV 1\par
 ASSI \{ 1327\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 47 and name HB2 ))\par
   4.000 2.000 2.000 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.11878E-02 ppm1 7.722 ppm2 2.969 CV 1\par
 ASSI \{ 1328\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 47 and name HB1 ))\par
   2.800 1.000 1.000 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 7.725 ppm2 2.838 CV 1\par
 ASSI \{ 1330\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.500 1.600 1.600 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.15369E-02 ppm1 7.722 ppm2 1.910 CV 1\par
 ASSI \{ 1333\}\par
   (( segid " " and resid 48 and name HN ))\par
   (( segid " " and resid 44 and name HA ))\par
   3.500 1.600 1.600 peak 1333 spectrum 1 weight 0.11000E+01 volume 0.26023E-02 ppm1 7.719 ppm2 4.465 CV 1\par
 ASSI \{ 1365\}\par
   (( segid " " and resid 41 and name HN ))\par
   (( segid " " and resid 42 and name HN ))\par
   3.000 1.100 1.100 peak 1365 spectrum 1 weight 0.11000E+01 volume 0.20583E-02 ppm1 8.058 ppm2 8.762 CV 1\par
 ASSI \{ 1367\}\par
   (( segid " " and resid 41 and name HN ))\par
   (( segid " " and resid 41 and name HA ))\par
   3.000 1.100 1.100 peak 1367 spectrum 1 weight 0.11000E+01 volume 0.14236E-02 ppm1 8.048 ppm2 4.951 CV 1\par
 ASSI \{ 1368\}\par
   (( segid " " and resid 41 and name HN ))\par
   (( segid " " and resid 40 and name HA ))\par
   3.000 1.100 1.100 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.11833E-02 ppm1 8.047 ppm2 4.466 CV 1\par
 ASSI \{ 1369\}\par
   (( segid " " and resid 41 and name HN ))\par
   (( segid " " and resid 44 and name HB2 ))\par
   2.800 2.800 3.200 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.12694E-02 ppm1 8.051 ppm2 2.974 CV 1\par
 ASSI \{ 1370\}\par
   (( segid " " and resid 41 and name HN ))\par
   (( segid " " and resid 40 and name HB ))\par
   3.200 1.300 1.300 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 8.048 ppm2 2.461 CV 1\par
 ASSI \{ 1371\}\par
   (( segid " " and resid 41 and name HN ))\par
   (( segid " " and resid 41 and name HB2 ))\par
   3.200 1.300 1.300 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.11380E-02 ppm1 8.048 ppm2 1.576 CV 1\par
   OR \{ 1371\}\par
   (( segid " " and resid 41 and name HN ))\par
   (( segid " " and resid 41 and name HB1 ))\par
 ASSI \{ 1372\}\par
   (( segid " " and resid 41 and name HN ))\par
   ( segid " " and resid 40 and name HG2% )\par
   3.700 1.700 1.700 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 8.048 ppm2 0.817 CV 1\par
 ASSI \{ 1383\}\par
   (( segid " " and resid 56 and name HN ))\par
   (( segid " " and resid 57 and name HN ))\par
   3.100 1.200 1.200 peak 1383 spectrum 1 weight 0.11000E+01 volume 0.10972E-02 ppm1 7.594 ppm2 8.387 CV 1\par
 ASSI \{ 1388\}\par
   (( segid " " and resid 56 and name HN ))\par
   (( segid " " and resid 57 and name HA ))\par
   3.500 3.500 2.500 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.17953E-02 ppm1 7.593 ppm2 4.596 CV 1\par
 ASSI \{ 1389\}\par
   (( segid " " and resid 56 and name HN ))\par
   (( segid " " and resid 56 and name HA ))\par
   3.300 1.400 1.400 peak 1389 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 7.594 ppm2 4.289 CV 1\par
 ASSI \{ 1390\}\par
   (( segid " " and resid 56 and name HN ))\par
   (( segid " " and resid 54 and name HA ))\par
   3.300 3.300 2.700 peak 1390 spectrum 1 weight 0.11000E+01 volume 0.14145E-02 ppm1 7.594 ppm2 3.833 CV 1\par
 ASSI \{ 1391\}\par
   (( segid " " and resid 56 and name HN ))\par
   (( segid " " and resid 57 and name HG2 ))\par
   4.100 2.100 1.900 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.16729E-02 ppm1 7.593 ppm2 2.258 CV 1\par
 ASSI \{ 1394\}\par
   (( segid " " and resid 56 and name HN ))\par
   (( segid " " and resid 38 and name HB2 ))\par
   2.700 2.700 3.300 peak 1394 spectrum 1 weight 0.11000E+01 volume 0.14735E-02 ppm1 7.593 ppm2 1.798 CV 1\par
 ASSI \{ 1395\}\par
   (( segid " " and resid 56 and name HN ))\par
   ( segid " " and resid 56 and name HB% )\par
   3.300 1.400 1.400 peak 1395 spectrum 1 weight 0.11000E+01 volume 0.92036E-03 ppm1 7.593 ppm2 1.522 CV 1\par
 ASSI \{ 1400\}\par
   (( segid " " and resid 64 and name HN ))\par
   (( segid " " and resid 63 and name HN ))\par
   3.200 1.300 1.300 peak 1400 spectrum 1 weight 0.11000E+01 volume 0.11244E-02 ppm1 7.406 ppm2 7.775 CV 1\par
 ASSI \{ 1403\}\par
   (( segid " " and resid 64 and name HN ))\par
   (( segid " " and resid 64 and name HA ))\par
   3.200 1.300 1.300 peak 1403 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 7.407 ppm2 4.861 CV 1\par
 ASSI \{ 1405\}\par
   (( segid " " and resid 64 and name HN ))\par
   (( segid " " and resid 63 and name HB1 ))\par
   3.500 1.600 1.600 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.13420E-02 ppm1 7.409 ppm2 3.931 CV 1\par
 ASSI \{ 1408\}\par
   (( segid " " and resid 64 and name HN ))\par
   (( segid " " and resid 64 and name HB2 ))\par
   3.200 1.300 1.300 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.97473E-03 ppm1 7.410 ppm2 2.111 CV 1\par
 ASSI \{ 1409\}\par
   (( segid " " and resid 64 and name HN ))\par
   (( segid " " and resid 64 and name HB1 ))\par
   3.700 1.700 1.700 peak 1409 spectrum 1 weight 0.11000E+01 volume 0.12604E-02 ppm1 7.408 ppm2 1.750 CV 1\par
 ASSI \{ 1417\}\par
   (( segid " " and resid 87 and name HN ))\par
   (( segid " " and resid 87 and name HA ))\par
   3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.10745E-02 ppm1 8.700 ppm2 4.495 CV 1\par
 ASSI \{ 1419\}\par
   (( segid " " and resid 87 and name HN ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   3.500 1.600 1.600 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.16050E-02 ppm1 8.701 ppm2 3.127 CV 1\par
 ASSI \{ 1420\}\par
   (( segid " " and resid 87 and name HN ))\par
   (( segid " " and resid 87 and name HB2 ))\par
   3.100 1.200 1.200 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 8.700 ppm2 2.834 CV 1\par
 ASSI \{ 1431\}\par
   (( segid " " and resid 64 and name HN ))\par
   (( segid " " and resid 63 and name HB2 ))\par
   3.500 1.500 1.500 peak 1431 spectrum 1 weight 0.11000E+01 volume 0.14009E-02 ppm1 7.406 ppm2 4.231 CV 1\par
 ASSI \{ 1436\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 57 and name HN ))\par
   4.100 2.100 1.900 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.12740E-02 ppm1 6.374 ppm2 8.386 CV 1\par
 ASSI \{ 1437\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 58 and name HN ))\par
   2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.12921E-02 ppm1 6.375 ppm2 8.231 CV 1\par
 ASSI \{ 1442\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 57 and name HA ))\par
   2.600 2.600 3.400 peak 1442 spectrum 1 weight 0.11000E+01 volume 0.18860E-02 ppm1 6.376 ppm2 4.597 CV 1\par
 ASSI \{ 1444\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 59 and name HA ))\par
   3.100 1.200 1.200 peak 1444 spectrum 1 weight 0.11000E+01 volume 0.11561E-02 ppm1 6.375 ppm2 4.213 CV 1\par
 ASSI \{ 1445\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 58 and name HA1 ))\par
   3.400 1.400 1.400 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.14100E-02 ppm1 6.374 ppm2 3.713 CV 1\par
 ASSI \{ 1446\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 60 and name HA ))\par
   3.100 3.100 2.900 peak 1446 spectrum 1 weight 0.11000E+01 volume 0.18089E-02 ppm1 6.370 ppm2 3.530 CV 1\par
 ASSI \{ 1448\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 57 and name HG1 ))\par
   3.300 1.300 1.300 peak 1448 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 6.376 ppm2 2.274 CV 1\par
 ASSI \{ 1449\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 94 and name HB ))\par
   3.400 3.400 2.600 peak 1449 spectrum 1 weight 0.11000E+01 volume 0.20719E-02 ppm1 6.375 ppm2 2.009 CV 1\par
 ASSI \{ 1450\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 59 and name HB ))\par
   3.000 3.000 3.000 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.11380E-02 ppm1 6.376 ppm2 1.757 CV 1\par
 ASSI \{ 1451\}\par
   (( segid " " and resid 59 and name HN ))\par
   (( segid " " and resid 57 and name HB1 ))\par
   4.100 2.100 1.900 peak 1451 spectrum 1 weight 0.11000E+01 volume 0.13193E-02 ppm1 6.374 ppm2 1.607 CV 1\par
 ASSI \{ 1452\}\par
   (( segid " " and resid 59 and name HN ))\par
   ( segid " " and resid 59 and name HG2% )\par
   3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.10427E-02 ppm1 6.375 ppm2 0.900 CV 1\par
 ASSI \{ 1475\}\par
   (( segid " " and resid 42 and name HN ))\par
   (( segid " " and resid 79 and name HN ))\par
   3.200 1.300 1.300 peak 1475 spectrum 1 weight 0.11000E+01 volume 0.12740E-02 ppm1 8.759 ppm2 8.921 CV 1\par
 ASSI \{ 1479\}\par
   (( segid " " and resid 42 and name HN ))\par
   (( segid " " and resid 43 and name HN ))\par
   3.200 1.300 1.300 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.14145E-02 ppm1 8.761 ppm2 6.737 CV 1\par
 ASSI \{ 1480\}\par
   (( segid " " and resid 42 and name HN ))\par
   (( segid " " and resid 41 and name HA ))\par
   3.100 1.200 1.200 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.11017E-02 ppm1 8.760 ppm2 4.955 CV 1\par
 ASSI \{ 1481\}\par
   (( segid " " and resid 42 and name HN ))\par
   (( segid " " and resid 24 and name HA ))\par
   3.600 3.600 2.400 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 8.763 ppm2 4.757 CV 1\par
 ASSI \{ 1484\}\par
   (( segid " " and resid 42 and name HN ))\par
   (( segid " " and resid 42 and name HA ))\par
   3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 8.760 ppm2 3.606 CV 1\par
 ASSI \{ 1495\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 80 and name HN ))\par
   2.900 1.100 1.100 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 7.397 ppm2 8.905 CV 1\par
 ASSI \{ 1498\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 81 and name HA ))\par
   3.200 1.300 1.300 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 7.398 ppm2 4.207 CV 1\par
 ASSI \{ 1499\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 80 and name HA ))\par
   3.200 1.300 1.300 peak 1499 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 7.395 ppm2 4.016 CV 1\par
 ASSI \{ 1501\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 81 and name HG2 ))\par
   4.100 2.100 1.900 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 7.398 ppm2 2.474 CV 1\par
 ASSI \{ 1502\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 81 and name HB2 ))\par
   3.100 1.200 1.200 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.10019E-02 ppm1 7.396 ppm2 2.304 CV 1\par
 ASSI \{ 1503\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 81 and name HB1 ))\par
   3.300 1.400 1.400 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 7.398 ppm2 2.114 CV 1\par
 ASSI \{ 1505\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 78 and name HB2 ))\par
   2.800 2.800 3.200 peak 1505 spectrum 1 weight 0.11000E+01 volume 0.12060E-02 ppm1 7.399 ppm2 1.594 CV 1\par
 ASSI \{ 1506\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 82 and name HB1 ))\par
   3.800 1.800 1.800 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.29423E-02 ppm1 7.396 ppm2 1.045 CV 1\par
 ASSI \{ 1507\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 82 and name HD21 ))\par
   3.000 1.200 1.200 peak 1507 spectrum 1 weight 0.11000E+01 volume 0.16865E-02 ppm1 7.397 ppm2 0.808 CV 1\par
 ASSI \{ 1508\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 82 and name HD11 ))\par
   3.500 1.500 1.500 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.19586E-02 ppm1 7.399 ppm2 0.699 CV 1\par
 ASSI \{ 1510\}\par
   (( segid " " and resid 81 and name HN ))\par
   (( segid " " and resid 79 and name HA ))\par
   3.100 1.200 1.200 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.18588E-02 ppm1 7.392 ppm2 3.827 CV 1\par
 ASSI \{ 1530\}\par
   (( segid " " and resid 80 and name HN ))\par
   (( segid " " and resid 78 and name HA ))\par
   3.500 1.500 1.500 peak 1530 spectrum 1 weight 0.11000E+01 volume 0.16050E-02 ppm1 8.911 ppm2 4.741 CV 1\par
 ASSI \{ 1537\}\par
   (( segid " " and resid 80 and name HN ))\par
   (( segid " " and resid 80 and name HA ))\par
   3.200 1.200 1.200 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.12150E-02 ppm1 8.903 ppm2 4.017 CV 1\par
 ASSI \{ 1538\}\par
   (( segid " " and resid 80 and name HN ))\par
   (( segid " " and resid 79 and name HA ))\par
   3.100 1.200 1.200 peak 1538 spectrum 1 weight 0.11000E+01 volume 0.14961E-02 ppm1 8.904 ppm2 3.818 CV 1\par
 ASSI \{ 1541\}\par
   (( segid " " and resid 80 and name HN ))\par
   (( segid " " and resid 81 and name HB2 ))\par
   3.900 1.900 1.900 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.10292E-02 ppm1 8.904 ppm2 2.335 CV 1\par
 ASSI \{ 1542\}\par
   (( segid " " and resid 80 and name HN ))\par
   (( segid " " and resid 81 and name HB1 ))\par
   4.200 2.200 1.800 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.98836E-03 ppm1 8.904 ppm2 2.144 CV 1\par
 ASSI \{ 1543\}\par
   (( segid " " and resid 80 and name HN ))\par
   (( segid " " and resid 78 and name HB2 ))\par
   3.700 1.800 1.800 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.14145E-02 ppm1 8.905 ppm2 1.609 CV 1\par
 ASSI \{ 1551\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 60 and name HA ))\par
   2.500 2.500 3.500 peak 1551 spectrum 1 weight 0.11000E+01 volume 0.22986E-02 ppm1 7.762 ppm2 3.566 CV 1\par
 ASSI \{ 1552\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 64 and name HG1 ))\par
   3.300 1.400 1.400 peak 1552 spectrum 1 weight 0.11000E+01 volume 0.13102E-02 ppm1 7.762 ppm2 2.257 CV 1\par
 ASSI \{ 1553\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 94 and name HB ))\par
   4.100 2.100 1.900 peak 1553 spectrum 1 weight 0.11000E+01 volume 0.12332E-02 ppm1 7.763 ppm2 1.990 CV 1\par
 ASSI \{ 1554\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 96 and name HB2 ))\par
   3.500 3.500 2.500 peak 1554 spectrum 1 weight 0.11000E+01 volume 0.12287E-02 ppm1 7.764 ppm2 1.897 CV 1\par
 ASSI \{ 1562\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 62 and name HN ))\par
   3.000 1.100 1.100 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 7.763 ppm2 8.922 CV 1\par
 ASSI \{ 1563\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 63 and name HA ))\par
   3.100 1.200 1.200 peak 1563 spectrum 1 weight 0.11000E+01 volume 0.11924E-02 ppm1 7.762 ppm2 4.727 CV 1\par
 ASSI \{ 1564\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 63 and name HB1 ))\par
   3.700 1.700 1.700 peak 1564 spectrum 1 weight 0.11000E+01 volume 0.10654E-02 ppm1 7.762 ppm2 3.932 CV 1\par
 ASSI \{ 1568\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 63 and name HB2 ))\par
   2.900 1.100 1.100 peak 1568 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 7.760 ppm2 4.231 CV 1\par
 ASSI \{ 1569\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 64 and name HG2 ))\par
   3.400 3.400 2.600 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 7.761 ppm2 2.687 CV 1\par
 ASSI \{ 1570\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 96 and name HG2 ))\par
   3.300 3.300 2.700 peak 1570 spectrum 1 weight 0.11000E+01 volume 0.15052E-02 ppm1 7.759 ppm2 2.355 CV 1\par
 ASSI \{ 1571\}\par
   (( segid " " and resid 63 and name HN ))\par
   (( segid " " and resid 64 and name HB1 ))\par
   3.700 1.700 1.700 peak 1571 spectrum 1 weight 0.11000E+01 volume 0.17228E-02 ppm1 7.759 ppm2 1.756 CV 1\par
 ASSI \{ 1619\}\par
   (( segid " " and resid 76 and name HN ))\par
   (( segid " " and resid 76 and name HA ))\par
   3.300 1.400 1.400 peak 1619 spectrum 1 weight 0.11000E+01 volume 0.10382E-02 ppm1 7.914 ppm2 4.337 CV 1\par
 ASSI \{ 1621\}\par
   (( segid " " and resid 76 and name HN ))\par
   (( segid " " and resid 76 and name HB2 ))\par
   3.000 1.100 1.100 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.98384E-03 ppm1 7.914 ppm2 1.937 CV 1\par
 ASSI \{ 1622\}\par
   (( segid " " and resid 76 and name HN ))\par
   (( segid " " and resid 76 and name HB1 ))\par
   4.100 2.100 1.900 peak 1622 spectrum 1 weight 0.11000E+01 volume 0.10246E-02 ppm1 7.913 ppm2 1.787 CV 1\par
 ASSI \{ 1624\}\par
   (( segid " " and resid 76 and name HN ))\par
   (( segid " " and resid 76 and name HG2 ))\par
   3.700 3.700 2.300 peak 1624 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 7.914 ppm2 1.407 CV 1\par
 ASSI \{ 1659\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 81 and name HA ))\par
   3.000 1.100 1.100 peak 1659 spectrum 1 weight 0.11000E+01 volume 0.21716E-02 ppm1 7.218 ppm2 4.201 CV 1\par
 ASSI \{ 1660\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 82 and name HD21 ))\par
   3.300 1.400 1.400 peak 1660 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 7.219 ppm2 0.839 CV 1\par
 ASSI \{ 1664\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 82 and name HA ))\par
   3.100 1.200 1.200 peak 1664 spectrum 1 weight 0.11000E+01 volume 0.12694E-02 ppm1 7.213 ppm2 3.917 CV 1\par
 ASSI \{ 1665\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 83 and name HA ))\par
   3.200 1.200 1.200 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.10337E-02 ppm1 7.213 ppm2 3.633 CV 1\par
 ASSI \{ 1666\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 83 and name HB2 ))\par
   2.900 1.000 1.000 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.12014E-02 ppm1 7.213 ppm2 1.833 CV 1\par
 ASSI \{ 1667\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 82 and name HB2 ))\par
   3.200 1.300 1.300 peak 1667 spectrum 1 weight 0.11000E+01 volume 0.11515E-02 ppm1 7.213 ppm2 1.620 CV 1\par
 ASSI \{ 1668\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 83 and name HG2 ))\par
   3.100 1.200 1.200 peak 1668 spectrum 1 weight 0.11000E+01 volume 0.11742E-02 ppm1 7.213 ppm2 1.240 CV 1\par
 ASSI \{ 1669\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 82 and name HB1 ))\par
   3.500 1.500 1.500 peak 1669 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 7.214 ppm2 1.016 CV 1\par
 ASSI \{ 1671\}\par
   (( segid " " and resid 83 and name HN ))\par
   (( segid " " and resid 84 and name HN ))\par
   3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.11000E+01 volume 0.13465E-02 ppm1 7.207 ppm2 7.696 CV 1\par
 ASSI \{ 1689\}\par
   (( segid " " and resid 57 and name HN ))\par
   (( segid " " and resid 58 and name HN ))\par
   3.000 1.100 1.100 peak 1689 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 8.384 ppm2 8.231 CV 1\par
 ASSI \{ 1692\}\par
   (( segid " " and resid 57 and name HN ))\par
   (( segid " " and resid 57 and name HA ))\par
   3.100 1.200 1.200 peak 1692 spectrum 1 weight 0.11000E+01 volume 0.13057E-02 ppm1 8.386 ppm2 4.601 CV 1\par
 ASSI \{ 1693\}\par
   (( segid " " and resid 57 and name HN ))\par
   (( segid " " and resid 56 and name HA ))\par
   3.500 1.500 1.500 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.12377E-02 ppm1 8.387 ppm2 4.285 CV 1\par
 ASSI \{ 1694\}\par
   (( segid " " and resid 57 and name HN ))\par
   (( segid " " and resid 58 and name HA2 ))\par
   3.600 3.600 2.400 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.15233E-02 ppm1 8.386 ppm2 3.716 CV 1\par
 ASSI \{ 1695\}\par
   (( segid " " and resid 57 and name HN ))\par
   (( segid " " and resid 57 and name HG1 ))\par
   2.700 0.900 0.900 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.11969E-02 ppm1 8.385 ppm2 2.271 CV 1\par
 ASSI \{ 1698\}\par
   (( segid " " and resid 57 and name HN ))\par
   (( segid " " and resid 57 and name HB1 ))\par
   3.400 1.400 1.400 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.10201E-02 ppm1 8.386 ppm2 1.546 CV 1\par
 ASSI \{ 1699\}\par
   (( segid " " and resid 57 and name HN ))\par
   (( segid " " and resid 59 and name HB ))\par
   4.000 4.000 2.000 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.12241E-02 ppm1 8.387 ppm2 0.938 CV 1\par
 ASSI \{ 1858\}\par
   (( segid " " and resid 45 and name HN ))\par
   (( segid " " and resid 48 and name HB2 ))\par
   3.200 3.200 2.800 peak 1858 spectrum 1 weight 0.11000E+01 volume 0.14281E-02 ppm1 8.090 ppm2 3.388 CV 1\par
 ASSI \{ 1859\}\par
   (( segid " " and resid 45 and name HN ))\par
   (( segid " " and resid 44 and name HB2 ))\par
   3.000 3.000 3.000 peak 1859 spectrum 1 weight 0.11000E+01 volume 0.13148E-02 ppm1 8.089 ppm2 2.989 CV 1\par
 ASSI \{ 1861\}\par
   (( segid " " and resid 45 and name HN ))\par
   (( segid " " and resid 44 and name HA ))\par
   3.200 3.200 2.800 peak 1861 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 8.087 ppm2 4.458 CV 1\par
 ASSI \{ 1862\}\par
   (( segid " " and resid 45 and name HN ))\par
   (( segid " " and resid 48 and name HB1 ))\par
   3.800 3.800 2.200 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 8.086 ppm2 3.196 CV 1\par
 ASSI \{ 1886\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 33 and name HN ))\par
   2.600 0.800 0.800 peak 1886 spectrum 1 weight 0.11000E+01 volume 0.20492E-02 ppm1 6.969 ppm2 8.159 CV 1\par
 ASSI \{ 1888\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 30 and name HA ))\par
   2.900 1.000 1.000 peak 1888 spectrum 1 weight 0.11000E+01 volume 0.24527E-02 ppm1 6.970 ppm2 5.224 CV 1\par
 ASSI \{ 1889\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 34 and name HA ))\par
   3.900 3.900 2.100 peak 1889 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 6.967 ppm2 4.464 CV 1\par
 ASSI \{ 1890\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 32 and name HA ))\par
   2.900 1.100 1.100 peak 1890 spectrum 1 weight 0.11000E+01 volume 0.20311E-02 ppm1 6.968 ppm2 4.246 CV 1\par
 ASSI \{ 1892\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 33 and name HA1 ))\par
   3.800 1.800 1.800 peak 1892 spectrum 1 weight 0.11000E+01 volume 0.28200E-02 ppm1 6.967 ppm2 3.612 CV 1\par
 ASSI \{ 1893\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   3.100 1.200 1.200 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.20946E-02 ppm1 6.969 ppm2 1.900 CV 1\par
 ASSI \{ 1894\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 34 and name HB2 ))\par
   3.300 1.400 1.400 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.19223E-02 ppm1 6.969 ppm2 1.612 CV 1\par
 ASSI \{ 1895\}\par
   (( segid " " and resid 32 and name HN ))\par
   (( segid " " and resid 34 and name HG2 ))\par
   3.700 3.700 2.300 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.11244E-02 ppm1 6.969 ppm2 1.216 CV 1\par
 ASSI \{ 1897\}\par
   (( segid " " and resid 32 and name HN ))\par
   ( segid " " and resid 30 and name HD1% )\par
   3.500 1.500 1.500 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.13601E-02 ppm1 6.970 ppm2 0.734 CV 1\par
   OR \{ 1897\}\par
   (( segid " " and resid 32 and name HN ))\par
   ( segid " " and resid 30 and name HD2% )\par
 ASSI \{ 1905\}\par
   (( segid " " and resid 33 and name HN ))\par
   (( segid " " and resid 31 and name HN ))\par
   3.400 1.500 1.500 peak 1905 spectrum 1 weight 0.11000E+01 volume 0.16185E-02 ppm1 8.163 ppm2 9.003 CV 1\par
 ASSI \{ 1910\}\par
   (( segid " " and resid 33 and name HN ))\par
   (( segid " " and resid 33 and name HA2 ))\par
   3.100 1.200 1.200 peak 1910 spectrum 1 weight 0.11000E+01 volume 0.11107E-02 ppm1 8.162 ppm2 4.411 CV 1\par
 ASSI \{ 1914\}\par
   (( segid " " and resid 33 and name HN ))\par
   (( segid " " and resid 32 and name HA ))\par
   3.300 1.400 1.400 peak 1914 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.161 ppm2 4.238 CV 1\par
 ASSI \{ 1915\}\par
   (( segid " " and resid 33 and name HN ))\par
   (( segid " " and resid 33 and name HA1 ))\par
   3.400 1.400 1.400 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.11017E-02 ppm1 8.161 ppm2 3.611 CV 1\par
 ASSI \{ 1916\}\par
   (( segid " " and resid 33 and name HN ))\par
   (( segid " " and resid 34 and name HB2 ))\par
   3.700 1.700 1.700 peak 1916 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 8.161 ppm2 1.597 CV 1\par
 ASSI \{ 1918\}\par
   (( segid " " and resid 33 and name HN ))\par
   ( segid " " and resid 30 and name HD1% )\par
   3.500 3.500 2.500 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.17818E-02 ppm1 8.165 ppm2 0.738 CV 1\par
 ASSI \{ 1919\}\par
   (( segid " " and resid 33 and name HN ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   3.200 1.300 1.300 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.15958E-02 ppm1 8.156 ppm2 1.898 CV 1\par
 ASSI \{ 1920\}\par
   (( segid " " and resid 33 and name HN ))\par
   (( segid " " and resid 34 and name HG2 ))\par
   3.700 3.700 2.300 peak 1920 spectrum 1 weight 0.11000E+01 volume 0.15097E-02 ppm1 8.160 ppm2 1.221 CV 1\par
 ASSI \{ 1926\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 56 and name HN ))\par
   3.100 1.200 1.200 peak 1926 spectrum 1 weight 0.11000E+01 volume 0.16412E-02 ppm1 8.229 ppm2 7.590 CV 1\par
 ASSI \{ 1928\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 56 and name HA ))\par
   2.800 2.800 3.200 peak 1928 spectrum 1 weight 0.11000E+01 volume 0.12468E-02 ppm1 8.230 ppm2 4.341 CV 1\par
 ASSI \{ 1929\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 58 and name HA2 ))\par
   3.100 1.200 1.200 peak 1929 spectrum 1 weight 0.11000E+01 volume 0.10881E-02 ppm1 8.230 ppm2 4.189 CV 1\par
 ASSI \{ 1930\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 58 and name HA1 ))\par
   3.400 1.400 1.400 peak 1930 spectrum 1 weight 0.11000E+01 volume 0.10926E-02 ppm1 8.230 ppm2 3.713 CV 1\par
 ASSI \{ 1931\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 60 and name HA ))\par
   3.100 3.100 2.900 peak 1931 spectrum 1 weight 0.11000E+01 volume 0.29378E-02 ppm1 8.228 ppm2 3.581 CV 1\par
 ASSI \{ 1932\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 57 and name HG2 ))\par
   3.700 1.700 1.700 peak 1932 spectrum 1 weight 0.11000E+01 volume 0.16140E-02 ppm1 8.228 ppm2 2.270 CV 1\par
 ASSI \{ 1933\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 57 and name HB2 ))\par
   3.100 1.200 1.200 peak 1933 spectrum 1 weight 0.11000E+01 volume 0.12967E-02 ppm1 8.229 ppm2 1.560 CV 1\par
 ASSI \{ 1934\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 57 and name HA ))\par
   3.200 1.300 1.300 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.14598E-02 ppm1 8.233 ppm2 4.600 CV 1\par
 ASSI \{ 1935\}\par
   (( segid " " and resid 58 and name HN ))\par
   (( segid " " and resid 59 and name HB ))\par
   4.100 4.100 1.900 peak 1935 spectrum 1 weight 0.11000E+01 volume 0.14870E-02 ppm1 8.231 ppm2 0.909 CV 1\par
 ASSI \{ 1948\}\par
   (( segid " " and resid 43 and name HN ))\par
   (( segid " " and resid 41 and name HA ))\par
   3.300 1.300 1.300 peak 1948 spectrum 1 weight 0.11000E+01 volume 0.15868E-02 ppm1 6.733 ppm2 4.935 CV 1\par
 ASSI \{ 1951\}\par
   (( segid " " and resid 43 and name HN ))\par
   (( segid " " and resid 43 and name HA ))\par
   3.200 1.300 1.300 peak 1951 spectrum 1 weight 0.11000E+01 volume 0.12785E-02 ppm1 6.732 ppm2 4.182 CV 1\par
 ASSI \{ 1954\}\par
   (( segid " " and resid 43 and name HN ))\par
   (( segid " " and resid 42 and name HA ))\par
   3.200 1.300 1.300 peak 1954 spectrum 1 weight 0.11000E+01 volume 0.14462E-02 ppm1 6.734 ppm2 3.606 CV 1\par
 ASSI \{ 1955\}\par
   (( segid " " and resid 43 and name HN ))\par
   (( segid " " and resid 44 and name HB2 ))\par
   3.700 1.700 1.700 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.14190E-02 ppm1 6.734 ppm2 2.988 CV 1\par
 ASSI \{ 1958\}\par
   (( segid " " and resid 43 and name HN ))\par
   (( segid " " and resid 41 and name HB2 ))\par
   3.400 3.400 2.600 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.11425E-02 ppm1 6.732 ppm2 1.585 CV 1\par
 ASSI \{ 1967\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 67 and name HB1 ))\par
   3.000 1.200 1.200 peak 1967 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 8.880 ppm2 2.795 CV 1\par
 ASSI \{ 1974\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 70 and name HA1 ))\par
   3.600 1.600 1.600 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.10835E-02 ppm1 8.878 ppm2 3.618 CV 1\par
 ASSI \{ 1979\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 68 and name HA ))\par
   3.000 1.200 1.200 peak 1979 spectrum 1 weight 0.11000E+01 volume 0.16593E-02 ppm1 8.875 ppm2 5.288 CV 1\par
 ASSI \{ 1980\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 69 and name HA ))\par
   3.200 3.200 2.800 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.12513E-02 ppm1 8.877 ppm2 4.760 CV 1\par
 ASSI \{ 1981\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 70 and name HA2 ))\par
   3.100 1.200 1.200 peak 1981 spectrum 1 weight 0.11000E+01 volume 0.11470E-02 ppm1 8.875 ppm2 4.200 CV 1\par
 ASSI \{ 1982\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 69 and name HB2 ))\par
   3.400 3.400 2.600 peak 1982 spectrum 1 weight 0.11000E+01 volume 0.11017E-02 ppm1 8.876 ppm2 3.798 CV 1\par
 ASSI \{ 1983\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 68 and name HB1 ))\par
   3.400 1.400 1.400 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.15460E-02 ppm1 8.874 ppm2 2.968 CV 1\par
 ASSI \{ 1988\}\par
   (( segid " " and resid 62 and name HN ))\par
   (( segid " " and resid 64 and name HN ))\par
   3.100 3.100 2.900 peak 1988 spectrum 1 weight 0.11000E+01 volume 0.29197E-02 ppm1 8.920 ppm2 7.404 CV 1\par
 ASSI \{ 1992\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 71 and name HD2 ))\par
   3.500 3.500 2.500 peak 1992 spectrum 1 weight 0.11000E+01 volume 0.18588E-02 ppm1 8.914 ppm2 3.295 CV 1\par
 ASSI \{ 1993\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 71 and name HB1 ))\par
   4.100 4.100 1.900 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.11153E-02 ppm1 8.918 ppm2 1.955 CV 1\par
 ASSI \{ 1996\}\par
   (( segid " " and resid 70 and name HN ))\par
   (( segid " " and resid 71 and name HB2 ))\par
   3.600 1.600 1.600 peak 1996 spectrum 1 weight 0.11000E+01 volume 0.17319E-02 ppm1 8.881 ppm2 1.986 CV 1\par
 ASSI \{ 1999\}\par
   (( segid " " and resid 30 and name HN ))\par
   (( segid " " and resid 92 and name HG21 ))\par
   3.200 3.200 2.800 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.34139E-02 ppm1 9.022 ppm2 -0.368 CV 1\par
 ASSI \{ 2001\}\par
   (( segid " " and resid 91 and name HN ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   3.200 3.200 2.800 peak 2001 spectrum 1 weight 0.11000E+01 volume 0.29922E-02 ppm1 8.385 ppm2 -0.364 CV 1\par
 ASSI \{ 82\}\par
   (( segid " " and resid 47 and name HA ))\par
   (( segid " " and resid 51 and name HA ))\par
   3.000 3.000 3.000 peak 82 spectrum 2 weight 0.11000E+01 volume 0.38022E-02 ppm1 3.704 ppm2 4.034 CV 1\par
 ASSI \{ 104\}\par
   (( segid " " and resid 45 and name HG21 ))\par
   (( segid " " and resid 44 and name HA ))\par
   2.300 2.300 3.700 peak 104 spectrum 2 weight 0.11000E+01 volume 0.54479E-02 ppm1 1.366 ppm2 4.500 CV 1\par
 ASSI \{ 105\}\par
   (( segid " " and resid 45 and name HG21 ))\par
   (( segid " " and resid 77 and name HB2 ))\par
   3.200 3.200 2.800 peak 105 spectrum 2 weight 0.11000E+01 volume 0.32915E-02 ppm1 1.367 ppm2 2.082 CV 1\par
 ASSI \{ 106\}\par
   (( segid " " and resid 45 and name HG21 ))\par
   (( segid " " and resid 45 and name HA ))\par
   3.100 1.200 1.200 peak 106 spectrum 2 weight 0.11000E+01 volume 0.25916E-02 ppm1 1.364 ppm2 5.385 CV 1\par
 ASSI \{ 107\}\par
   (( segid " " and resid 45 and name HG21 ))\par
   (( segid " " and resid 45 and name HB ))\par
   3.100 1.200 1.200 peak 107 spectrum 2 weight 0.11000E+01 volume 0.22794E-02 ppm1 1.364 ppm2 4.841 CV 1\par
 ASSI \{ 109\}\par
   (( segid " " and resid 45 and name HG21 ))\par
   (( segid " " and resid 44 and name HB2 ))\par
   3.100 3.100 2.900 peak 109 spectrum 2 weight 0.11000E+01 volume 0.30456E-02 ppm1 1.366 ppm2 3.004 CV 1\par
 ASSI \{ 110\}\par
   (( segid " " and resid 45 and name HG21 ))\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.000 3.000 3.000 peak 110 spectrum 2 weight 0.11000E+01 volume 0.34333E-02 ppm1 1.365 ppm2 1.922 CV 1\par
 ASSI \{ 111\}\par
   (( segid " " and resid 45 and name HG21 ))\par
   (( segid " " and resid 78 and name HB2 ))\par
   3.500 1.600 1.600 peak 111 spectrum 2 weight 0.11000E+01 volume 0.18160E-02 ppm1 1.365 ppm2 1.580 CV 1\par
 ASSI \{ 122\}\par
   (( segid " " and resid 89 and name HG21 ))\par
   (( segid " " and resid 89 and name HA ))\par
   2.300 0.600 0.600 peak 122 spectrum 2 weight 0.11000E+01 volume 0.26199E-02 ppm1 0.659 ppm2 4.194 CV 1\par
 ASSI \{ 124\}\par
   (( segid " " and resid 89 and name HG21 ))\par
   (( segid " " and resid 91 and name HG2 ))\par
   3.700 3.700 2.300 peak 124 spectrum 2 weight 0.11000E+01 volume 0.50696E-02 ppm1 0.661 ppm2 2.336 CV 1\par
 ASSI \{ 125\}\par
   (( segid " " and resid 89 and name HG21 ))\par
   (( segid " " and resid 89 and name HB ))\par
   2.800 1.000 1.000 peak 125 spectrum 2 weight 0.11000E+01 volume 0.21943E-02 ppm1 0.659 ppm2 1.756 CV 1\par
 ASSI \{ 129\}\par
   (( segid " " and resid 89 and name HG21 ))\par
   ( segid " " and resid 28 and name HD1% )\par
   3.000 3.000 3.000 peak 129 spectrum 2 weight 0.11000E+01 volume 0.37739E-02 ppm1 0.660 ppm2 0.241 CV 1\par
 ASSI \{ 158\}\par
   ( segid " " and resid 40 and name HG2% )\par
   (( segid " " and resid 79 and name HA ))\par
   2.800 2.800 3.200 peak 158 spectrum 2 weight 0.11000E+01 volume 0.43035E-02 ppm1 0.832 ppm2 3.805 CV 1\par
 ASSI \{ 161\}\par
   ( segid " " and resid 40 and name HG2% )\par
   (( segid " " and resid 40 and name HB ))\par
   2.700 0.900 0.900 peak 161 spectrum 2 weight 0.11000E+01 volume 0.24308E-02 ppm1 0.832 ppm2 2.494 CV 1\par
 ASSI \{ 162\}\par
   ( segid " " and resid 40 and name HG2% )\par
   (( segid " " and resid 38 and name HG ))\par
   3.000 1.100 1.100 peak 162 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 0.832 ppm2 1.496 CV 1\par
 ASSI \{ 163\}\par
   ( segid " " and resid 40 and name HG2% )\par
   ( segid " " and resid 40 and name HG1% )\par
   2.800 1.000 1.000 peak 163 spectrum 2 weight 0.11000E+01 volume 0.22889E-02 ppm1 0.831 ppm2 0.207 CV 1\par
 ASSI \{ 182\}\par
   (( segid " " and resid 89 and name HA ))\par
   (( segid " " and resid 27 and name HB2 ))\par
   3.000 1.100 1.100 peak 182 spectrum 2 weight 0.11000E+01 volume 0.23551E-02 ppm1 4.191 ppm2 1.855 CV 1\par
 ASSI \{ 183\}\par
   (( segid " " and resid 89 and name HA ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   3.100 1.200 1.200 peak 183 spectrum 2 weight 0.11000E+01 volume 0.41711E-02 ppm1 4.189 ppm2 1.163 CV 1\par
 ASSI \{ 252\}\par
   (( segid " " and resid 92 and name HA ))\par
   (( segid " " and resid 93 and name HA ))\par
   3.000 3.000 3.000 peak 252 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 4.706 ppm2 4.193 CV 1\par
 ASSI \{ 269\}\par
   (( segid " " and resid 89 and name HA ))\par
   (( segid " " and resid 88 and name HA ))\par
   2.900 2.900 3.100 peak 269 spectrum 2 weight 0.11000E+01 volume 0.32442E-02 ppm1 4.194 ppm2 4.483 CV 1\par
 ASSI \{ 375\}\par
   ( segid " " and resid 40 and name HG2% )\par
   (( segid " " and resid 39 and name HA ))\par
   3.400 1.400 1.400 peak 375 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 0.846 ppm2 4.442 CV 1\par
 ASSI \{ 377\}\par
   ( segid " " and resid 40 and name HG2% )\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.700 3.700 2.300 peak 377 spectrum 2 weight 0.11000E+01 volume 0.17687E-02 ppm1 0.846 ppm2 1.935 CV 1\par
 ASSI \{ 430\}\par
   (( segid " " and resid 95 and name HA ))\par
   (( segid " " and resid 96 and name HA ))\par
   3.100 3.100 2.900 peak 430 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 4.543 ppm2 4.504 CV 1\par
 ASSI \{ 496\}\par
   (( segid " " and resid 94 and name HA ))\par
   (( segid " " and resid 94 and name HB ))\par
   2.400 0.700 0.700 peak 496 spectrum 2 weight 0.11000E+01 volume 0.29983E-02 ppm1 4.869 ppm2 2.008 CV 1\par
 ASSI \{ 497\}\par
   (( segid " " and resid 94 and name HA ))\par
   (( segid " " and resid 94 and name HG21 ))\par
   2.900 1.000 1.000 peak 497 spectrum 2 weight 0.11000E+01 volume 0.23362E-02 ppm1 4.868 ppm2 0.949 CV 1\par
   OR \{ 497\}\par
   (( segid " " and resid 94 and name HA ))\par
   (( segid " " and resid 94 and name HG11 ))\par
 ASSI \{ 499\}\par
   (( segid " " and resid 92 and name HA ))\par
   (( segid " " and resid 66 and name HA ))\par
   2.600 0.900 0.900 peak 499 spectrum 2 weight 0.11000E+01 volume 0.27145E-02 ppm1 4.671 ppm2 5.487 CV 1\par
 ASSI \{ 500\}\par
   (( segid " " and resid 92 and name HA ))\par
   (( segid " " and resid 92 and name HB ))\par
   2.400 0.700 0.700 peak 500 spectrum 2 weight 0.11000E+01 volume 0.34901E-02 ppm1 4.670 ppm2 1.688 CV 1\par
 ASSI \{ 501\}\par
   (( segid " " and resid 92 and name HA ))\par
   (( segid " " and resid 92 and name HG21 ))\par
   2.800 1.000 1.000 peak 501 spectrum 2 weight 0.11000E+01 volume 0.27429E-02 ppm1 4.670 ppm2 0.543 CV 1\par
 ASSI \{ 502\}\par
   (( segid " " and resid 92 and name HA ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   3.400 1.400 1.400 peak 502 spectrum 2 weight 0.11000E+01 volume 0.26956E-02 ppm1 4.671 ppm2 -0.383 CV 1\par
 ASSI \{ 504\}\par
   (( segid " " and resid 93 and name HA ))\par
   (( segid " " and resid 93 and name HD11 ))\par
   3.300 1.400 1.400 peak 504 spectrum 2 weight 0.11000E+01 volume 0.28469E-02 ppm1 4.189 ppm2 0.732 CV 1\par
 ASSI \{ 505\}\par
   (( segid " " and resid 93 and name HA ))\par
   (( segid " " and resid 93 and name HB ))\par
   2.500 0.800 0.800 peak 505 spectrum 2 weight 0.11000E+01 volume 0.33860E-02 ppm1 4.184 ppm2 2.128 CV 1\par
 ASSI \{ 506\}\par
   (( segid " " and resid 93 and name HA ))\par
   (( segid " " and resid 93 and name HG11 ))\par
   2.900 1.000 1.000 peak 506 spectrum 2 weight 0.11000E+01 volume 0.30644E-02 ppm1 4.183 ppm2 1.613 CV 1\par
 ASSI \{ 507\}\par
   (( segid " " and resid 93 and name HA ))\par
   (( segid " " and resid 93 and name HG12 ))\par
   2.900 1.000 1.000 peak 507 spectrum 2 weight 0.11000E+01 volume 0.32915E-02 ppm1 4.185 ppm2 1.373 CV 1\par
 ASSI \{ 624\}\par
   (( segid " " and resid 45 and name HA ))\par
   (( segid " " and resid 45 and name HB ))\par
   2.600 0.800 0.800 peak 624 spectrum 2 weight 0.11000E+01 volume 0.25254E-02 ppm1 5.389 ppm2 4.834 CV 1\par
 ASSI \{ 625\}\par
   (( segid " " and resid 45 and name HA ))\par
   (( segid " " and resid 78 and name HA ))\par
   2.700 0.900 0.900 peak 625 spectrum 2 weight 0.11000E+01 volume 0.24780E-02 ppm1 5.390 ppm2 4.670 CV 1\par
 ASSI \{ 626\}\par
   (( segid " " and resid 45 and name HA ))\par
   (( segid " " and resid 78 and name HB2 ))\par
   2.600 0.800 0.800 peak 626 spectrum 2 weight 0.11000E+01 volume 0.41616E-02 ppm1 5.389 ppm2 1.621 CV 1\par
 ASSI \{ 633\}\par
   (( segid " " and resid 74 and name HA ))\par
   (( segid " " and resid 76 and name HB2 ))\par
   3.200 3.200 2.800 peak 633 spectrum 2 weight 0.11000E+01 volume 0.24119E-02 ppm1 4.024 ppm2 1.950 CV 1\par
 ASSI \{ 672\}\par
   (( segid " " and resid 92 and name HG21 ))\par
   (( segid " " and resid 66 and name HA ))\par
   3.000 3.000 3.000 peak 672 spectrum 2 weight 0.11000E+01 volume 0.41427E-02 ppm1 0.542 ppm2 5.491 CV 1\par
 ASSI \{ 673\}\par
   (( segid " " and resid 92 and name HG21 ))\par
   (( segid " " and resid 30 and name HA ))\par
   2.700 2.700 3.300 peak 673 spectrum 2 weight 0.11000E+01 volume 0.36320E-02 ppm1 0.542 ppm2 5.233 CV 1\par
 ASSI \{ 682\}\par
   (( segid " " and resid 92 and name HG21 ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   3.200 1.200 1.200 peak 682 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 0.542 ppm2 -0.382 CV 1\par
 ASSI \{ 697\}\par
   (( segid " " and resid 59 and name HA ))\par
   (( segid " " and resid 60 and name HA ))\par
   2.800 2.800 3.200 peak 697 spectrum 2 weight 0.11000E+01 volume 0.57507E-02 ppm1 4.223 ppm2 3.572 CV 1\par
 ASSI \{ 700\}\par
   (( segid " " and resid 52 and name HA ))\par
   ( segid " " and resid 56 and name HB% )\par
   3.000 3.000 3.000 peak 700 spectrum 2 weight 0.11000E+01 volume 0.27996E-02 ppm1 4.219 ppm2 1.484 CV 1\par
 ASSI \{ 725\}\par
   ( segid " " and resid 56 and name HB% )\par
   (( segid " " and resid 57 and name HA ))\par
   3.000 1.100 1.100 peak 725 spectrum 2 weight 0.11000E+01 volume 0.37833E-02 ppm1 1.536 ppm2 4.582 CV 1\par
 ASSI \{ 726\}\par
   ( segid " " and resid 56 and name HB% )\par
   (( segid " " and resid 56 and name HA ))\par
   2.900 1.000 1.000 peak 726 spectrum 2 weight 0.11000E+01 volume 0.22227E-02 ppm1 1.535 ppm2 4.288 CV 1\par
 ASSI \{ 731\}\par
   ( segid " " and resid 56 and name HB% )\par
   ( segid " " and resid 53 and name HD1% )\par
   3.300 1.400 1.400 peak 731 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 1.535 ppm2 0.873 CV 1\par
 ASSI \{ 734\}\par
   ( segid " " and resid 46 and name HG1% )\par
   (( segid " " and resid 75 and name HA ))\par
   2.800 1.000 1.000 peak 734 spectrum 2 weight 0.11000E+01 volume 0.29415E-02 ppm1 0.143 ppm2 4.252 CV 1\par
 ASSI \{ 735\}\par
   ( segid " " and resid 46 and name HG1% )\par
   (( segid " " and resid 46 and name HA ))\par
   2.600 0.900 0.900 peak 735 spectrum 2 weight 0.11000E+01 volume 0.28280E-02 ppm1 0.143 ppm2 3.246 CV 1\par
 ASSI \{ 737\}\par
   ( segid " " and resid 46 and name HG1% )\par
   (( segid " " and resid 46 and name HB ))\par
   2.700 0.900 0.900 peak 737 spectrum 2 weight 0.11000E+01 volume 0.25254E-02 ppm1 0.143 ppm2 2.321 CV 1\par
 ASSI \{ 738\}\par
   ( segid " " and resid 46 and name HG1% )\par
   (( segid " " and resid 77 and name HB2 ))\par
   3.600 1.600 1.600 peak 738 spectrum 2 weight 0.11000E+01 volume 0.25537E-02 ppm1 0.143 ppm2 2.045 CV 1\par
 ASSI \{ 739\}\par
   ( segid " " and resid 46 and name HG1% )\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.200 1.300 1.300 peak 739 spectrum 2 weight 0.11000E+01 volume 0.28658E-02 ppm1 0.143 ppm2 1.899 CV 1\par
 ASSI \{ 740\}\par
   ( segid " " and resid 46 and name HG1% )\par
   (( segid " " and resid 77 and name HG2 ))\par
   3.000 1.100 1.100 peak 740 spectrum 2 weight 0.11000E+01 volume 0.30739E-02 ppm1 0.143 ppm2 1.404 CV 1\par
 ASSI \{ 742\}\par
   ( segid " " and resid 46 and name HG1% )\par
   ( segid " " and resid 46 and name HG2% )\par
   2.800 1.000 1.000 peak 742 spectrum 2 weight 0.11000E+01 volume 0.23078E-02 ppm1 0.142 ppm2 0.794 CV 1\par
 ASSI \{ 744\}\par
   (( segid " " and resid 50 and name HA ))\par
   (( segid " " and resid 53 and name HB2 ))\par
   2.100 0.500 0.500 peak 744 spectrum 2 weight 0.11000E+01 volume 0.35847E-02 ppm1 4.565 ppm2 2.466 CV 1\par
 ASSI \{ 746\}\par
   (( segid " " and resid 50 and name HA ))\par
   (( segid " " and resid 53 and name HB1 ))\par
   2.700 0.900 0.900 peak 746 spectrum 2 weight 0.11000E+01 volume 0.38873E-02 ppm1 4.561 ppm2 1.671 CV 1\par
 ASSI \{ 749\}\par
   (( segid " " and resid 50 and name HA ))\par
   (( segid " " and resid 53 and name HG ))\par
   3.100 1.200 1.200 peak 749 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 4.563 ppm2 0.929 CV 1\par
   OR \{ 749\}\par
   (( segid " " and resid 50 and name HA ))\par
   ( segid " " and resid 53 and name HD1% )\par
 ASSI \{ 774\}\par
   (( segid " " and resid 92 and name HG11 ))\par
   (( segid " " and resid 30 and name HA ))\par
   3.200 1.300 1.300 peak 774 spectrum 2 weight 0.11000E+01 volume 0.35752E-02 ppm1 -0.384 ppm2 5.258 CV 1\par
 ASSI \{ 778\}\par
   (( segid " " and resid 92 and name HG11 ))\par
   ( segid " " and resid 53 and name HD1% )\par
   2.800 1.000 1.000 peak 778 spectrum 2 weight 0.11000E+01 volume 0.22889E-02 ppm1 -0.385 ppm2 0.893 CV 1\par
 ASSI \{ 780\}\par
   (( segid " " and resid 92 and name HG11 ))\par
   ( segid " " and resid 28 and name HD1% )\par
   2.400 0.700 0.700 peak 780 spectrum 2 weight 0.11000E+01 volume 0.27051E-02 ppm1 -0.383 ppm2 0.263 CV 1\par
 ASSI \{ 783\}\par
   (( segid " " and resid 92 and name HG11 ))\par
   (( segid " " and resid 28 and name HB2 ))\par
   3.300 1.300 1.300 peak 783 spectrum 2 weight 0.11000E+01 volume 0.33293E-02 ppm1 -0.387 ppm2 1.363 CV 1\par
 ASSI \{ 793\}\par
   (( segid " " and resid 84 and name HA ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   2.600 0.900 0.900 peak 793 spectrum 2 weight 0.11000E+01 volume 0.28375E-02 ppm1 3.582 ppm2 3.156 CV 1\par
 ASSI \{ 794\}\par
   (( segid " " and resid 84 and name HA ))\par
   (( segid " " and resid 83 and name HB2 ))\par
   2.700 2.700 3.300 peak 794 spectrum 2 weight 0.11000E+01 volume 0.40197E-02 ppm1 3.582 ppm2 1.787 CV 1\par
 ASSI \{ 795\}\par
   (( segid " " and resid 84 and name HA ))\par
   (( segid " " and resid 84 and name HB ))\par
   2.500 0.800 0.800 peak 795 spectrum 2 weight 0.11000E+01 volume 0.51453E-02 ppm1 3.585 ppm2 1.361 CV 1\par
 ASSI \{ 855\}\par
   (( segid " " and resid 88 and name HA ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   2.900 1.000 1.000 peak 855 spectrum 2 weight 0.11000E+01 volume 0.24308E-02 ppm1 4.444 ppm2 3.132 CV 1\par
 ASSI \{ 858\}\par
   (( segid " " and resid 88 and name HA ))\par
   (( segid " " and resid 89 and name HB ))\par
   3.300 3.300 2.700 peak 858 spectrum 2 weight 0.11000E+01 volume 0.27524E-02 ppm1 4.416 ppm2 1.763 CV 1\par
 ASSI \{ 869\}\par
   (( segid " " and resid 80 and name HA ))\par
   (( segid " " and resid 81 and name HB2 ))\par
   3.300 3.300 2.700 peak 869 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 4.003 ppm2 2.314 CV 1\par
 ASSI \{ 870\}\par
   (( segid " " and resid 80 and name HA ))\par
   (( segid " " and resid 81 and name HB1 ))\par
   3.600 3.600 2.400 peak 870 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 4.002 ppm2 2.148 CV 1\par
 ASSI \{ 902\}\par
   (( segid " " and resid 63 and name HA ))\par
   (( segid " " and resid 63 and name HB2 ))\par
   2.900 1.000 1.000 peak 902 spectrum 2 weight 0.11000E+01 volume 0.26199E-02 ppm1 4.709 ppm2 4.212 CV 1\par
 ASSI \{ 910\}\par
   (( segid " " and resid 40 and name HA ))\par
   ( segid " " and resid 40 and name HG2% )\par
   3.200 1.300 1.300 peak 910 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 4.489 ppm2 0.838 CV 1\par
 ASSI \{ 911\}\par
   (( segid " " and resid 40 and name HA ))\par
   ( segid " " and resid 40 and name HG1% )\par
   2.600 0.800 0.800 peak 911 spectrum 2 weight 0.11000E+01 volume 0.33293E-02 ppm1 4.489 ppm2 0.206 CV 1\par
 ASSI \{ 963\}\par
   ( segid " " and resid 40 and name HG1% )\par
   (( segid " " and resid 44 and name HB2 ))\par
   3.100 1.200 1.200 peak 963 spectrum 2 weight 0.11000E+01 volume 0.43981E-02 ppm1 0.210 ppm2 2.964 CV 1\par
 ASSI \{ 964\}\par
   ( segid " " and resid 40 and name HG1% )\par
   (( segid " " and resid 24 and name HB2 ))\par
   3.300 1.300 1.300 peak 964 spectrum 2 weight 0.11000E+01 volume 0.31685E-02 ppm1 0.209 ppm2 2.689 CV 1\par
 ASSI \{ 965\}\par
   ( segid " " and resid 40 and name HG1% )\par
   (( segid " " and resid 40 and name HB ))\par
   2.700 0.900 0.900 peak 965 spectrum 2 weight 0.11000E+01 volume 0.23929E-02 ppm1 0.208 ppm2 2.482 CV 1\par
 ASSI \{ 966\}\par
   ( segid " " and resid 40 and name HG1% )\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.300 1.400 1.400 peak 966 spectrum 2 weight 0.11000E+01 volume 0.33577E-02 ppm1 0.210 ppm2 1.906 CV 1\par
 ASSI \{ 968\}\par
   ( segid " " and resid 40 and name HG1% )\par
   (( segid " " and resid 41 and name HB2 ))\par
   3.200 3.200 2.800 peak 968 spectrum 2 weight 0.11000E+01 volume 0.32537E-02 ppm1 0.209 ppm2 1.594 CV 1\par
   OR \{ 968\}\par
   ( segid " " and resid 40 and name HG1% )\par
   (( segid " " and resid 41 and name HB1 ))\par
 ASSI \{ 970\}\par
   ( segid " " and resid 40 and name HG1% )\par
   (( segid " " and resid 38 and name HB1 ))\par
   2.900 1.100 1.100 peak 970 spectrum 2 weight 0.11000E+01 volume 0.29793E-02 ppm1 0.208 ppm2 1.125 CV 1\par
 ASSI \{ 978\}\par
   (( segid " " and resid 53 and name HA ))\par
   ( segid " " and resid 53 and name HD1% )\par
   3.000 1.100 1.100 peak 978 spectrum 2 weight 0.11000E+01 volume 0.21848E-02 ppm1 4.260 ppm2 0.915 CV 1\par
 ASSI \{ 980\}\par
   (( segid " " and resid 75 and name HA ))\par
   (( segid " " and resid 47 and name HB2 ))\par
   2.700 0.900 0.900 peak 980 spectrum 2 weight 0.11000E+01 volume 0.47670E-02 ppm1 4.256 ppm2 2.932 CV 1\par
 ASSI \{ 981\}\par
   (( segid " " and resid 53 and name HA ))\par
   (( segid " " and resid 64 and name HG2 ))\par
   3.200 3.200 2.800 peak 981 spectrum 2 weight 0.11000E+01 volume 0.24497E-02 ppm1 4.255 ppm2 2.563 CV 1\par
 ASSI \{ 982\}\par
   (( segid " " and resid 75 and name HA ))\par
   (( segid " " and resid 46 and name HB ))\par
   2.600 0.900 0.900 peak 982 spectrum 2 weight 0.11000E+01 volume 0.23835E-02 ppm1 4.255 ppm2 2.327 CV 1\par
 ASSI \{ 983\}\par
   (( segid " " and resid 53 and name HA ))\par
   (( segid " " and resid 57 and name HB1 ))\par
   3.300 3.300 2.700 peak 983 spectrum 2 weight 0.11000E+01 volume 0.23929E-02 ppm1 4.255 ppm2 1.600 CV 1\par
 ASSI \{ 988\}\par
   (( segid " " and resid 69 and name HA ))\par
   (( segid " " and resid 69 and name HB2 ))\par
   2.800 1.000 1.000 peak 988 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 3.789 ppm2 2.973 CV 1\par
   OR \{ 988\}\par
   (( segid " " and resid 69 and name HA ))\par
   (( segid " " and resid 69 and name HG ))\par
 ASSI \{ 1130\}\par
   (( segid " " and resid 66 and name HA ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   3.200 1.200 1.200 peak 1130 spectrum 2 weight 0.11000E+01 volume 0.36036E-02 ppm1 5.490 ppm2 -0.381 CV 1\par
 ASSI \{ 1134\}\par
   (( segid " " and resid 66 and name HA ))\par
   (( segid " " and resid 66 and name HB1 ))\par
   2.600 0.800 0.800 peak 1134 spectrum 2 weight 0.11000E+01 volume 0.27807E-02 ppm1 5.488 ppm2 3.045 CV 1\par
 ASSI \{ 1146\}\par
   (( segid " " and resid 24 and name HA ))\par
   (( segid " " and resid 39 and name HA ))\par
   3.100 3.100 2.900 peak 1146 spectrum 2 weight 0.11000E+01 volume 0.31685E-02 ppm1 4.777 ppm2 4.431 CV 1\par
 ASSI \{ 1176\}\par
   (( segid " " and resid 75 and name HA ))\par
   (( segid " " and resid 76 and name HA ))\par
   3.000 3.000 3.000 peak 1176 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 4.321 ppm2 4.373 CV 1\par
 ASSI \{ 1230\}\par
   (( segid " " and resid 24 and name HA ))\par
   (( segid " " and resid 24 and name HB2 ))\par
   2.800 1.000 1.000 peak 1230 spectrum 2 weight 0.11000E+01 volume 0.28375E-02 ppm1 4.770 ppm2 2.693 CV 1\par
 ASSI \{ 1231\}\par
   (( segid " " and resid 24 and name HA ))\par
   (( segid " " and resid 24 and name HB1 ))\par
   2.700 0.900 0.900 peak 1231 spectrum 2 weight 0.11000E+01 volume 0.30361E-02 ppm1 4.769 ppm2 2.345 CV 1\par
 ASSI \{ 1335\}\par
   (( segid " " and resid 68 and name HA ))\par
   (( segid " " and resid 90 and name HA ))\par
   2.700 2.700 3.300 peak 1335 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 5.326 ppm2 4.256 CV 1\par
 ASSI \{ 1337\}\par
   (( segid " " and resid 68 and name HA ))\par
   (( segid " " and resid 68 and name HB2 ))\par
   2.600 0.800 0.800 peak 1337 spectrum 2 weight 0.11000E+01 volume 0.27712E-02 ppm1 5.290 ppm2 3.246 CV 1\par
 ASSI \{ 1339\}\par
   (( segid " " and resid 68 and name HA ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   3.000 3.000 3.000 peak 1339 spectrum 2 weight 0.11000E+01 volume 0.39914E-02 ppm1 5.290 ppm2 1.105 CV 1\par
 ASSI \{ 1346\}\par
   (( segid " " and resid 27 and name HA ))\par
   (( segid " " and resid 26 and name HA ))\par
   3.100 1.200 1.200 peak 1346 spectrum 2 weight 0.11000E+01 volume 0.27240E-02 ppm1 4.707 ppm2 4.276 CV 1\par
 ASSI \{ 1358\}\par
   (( segid " " and resid 81 and name HA ))\par
   (( segid " " and resid 81 and name HG2 ))\par
   3.000 1.200 1.200 peak 1358 spectrum 2 weight 0.11000E+01 volume 0.27524E-02 ppm1 4.214 ppm2 2.475 CV 1\par
 ASSI \{ 1360\}\par
   (( segid " " and resid 81 and name HA ))\par
   (( segid " " and resid 81 and name HB1 ))\par
   3.100 1.200 1.200 peak 1360 spectrum 2 weight 0.11000E+01 volume 0.22416E-02 ppm1 4.214 ppm2 2.106 CV 1\par
 ASSI \{ 1430\}\par
   (( segid " " and resid 27 and name HA ))\par
   (( segid " " and resid 37 and name HA ))\par
   2.100 0.600 0.600 peak 1430 spectrum 2 weight 0.11000E+01 volume 0.26672E-02 ppm1 4.694 ppm2 5.069 CV 1\par
 ASSI \{ 1431\}\par
   (( segid " " and resid 27 and name HA ))\par
   (( segid " " and resid 37 and name HB1 ))\par
   2.700 0.900 0.900 peak 1431 spectrum 2 weight 0.11000E+01 volume 0.23457E-02 ppm1 4.694 ppm2 1.436 CV 1\par
 ASSI \{ 1432\}\par
   (( segid " " and resid 34 and name HA ))\par
   (( segid " " and resid 30 and name HG ))\par
   2.800 2.800 3.200 peak 1432 spectrum 2 weight 0.11000E+01 volume 0.47953E-02 ppm1 4.416 ppm2 0.754 CV 1\par
   OR \{ 1432\}\par
   (( segid " " and resid 34 and name HA ))\par
   ( segid " " and resid 30 and name HD2% )\par
 ASSI \{ 1435\}\par
   (( segid " " and resid 34 and name HA ))\par
   (( segid " " and resid 34 and name HB1 ))\par
   2.900 1.100 1.100 peak 1435 spectrum 2 weight 0.11000E+01 volume 0.25821E-02 ppm1 4.414 ppm2 1.285 CV 1\par
   OR \{ 1435\}\par
   (( segid " " and resid 34 and name HA ))\par
   (( segid " " and resid 34 and name HG2 ))\par
 ASSI \{ 1436\}\par
   (( segid " " and resid 76 and name HA ))\par
   (( segid " " and resid 76 and name HB2 ))\par
   3.000 1.100 1.100 peak 1436 spectrum 2 weight 0.11000E+01 volume 0.25159E-02 ppm1 4.376 ppm2 1.919 CV 1\par
 ASSI \{ 1440\}\par
   (( segid " " and resid 76 and name HA ))\par
   (( segid " " and resid 76 and name HB1 ))\par
   2.900 1.000 1.000 peak 1440 spectrum 2 weight 0.11000E+01 volume 0.22889E-02 ppm1 4.333 ppm2 1.773 CV 1\par
 ASSI \{ 1442\}\par
   (( segid " " and resid 76 and name HA ))\par
   (( segid " " and resid 76 and name HG1 ))\par
   3.400 1.400 1.400 peak 1442 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 4.327 ppm2 1.388 CV 1\par
 ASSI \{ 1444\}\par
   (( segid " " and resid 82 and name HA ))\par
   (( segid " " and resid 82 and name HG ))\par
   3.100 1.200 1.200 peak 1444 spectrum 2 weight 0.11000E+01 volume 0.32158E-02 ppm1 3.910 ppm2 1.852 CV 1\par
 ASSI \{ 1445\}\par
   (( segid " " and resid 82 and name HA ))\par
   (( segid " " and resid 82 and name HB2 ))\par
   2.900 1.000 1.000 peak 1445 spectrum 2 weight 0.11000E+01 volume 0.29605E-02 ppm1 3.911 ppm2 1.587 CV 1\par
 ASSI \{ 1447\}\par
   (( segid " " and resid 82 and name HA ))\par
   (( segid " " and resid 82 and name HD21 ))\par
   3.000 1.100 1.100 peak 1447 spectrum 2 weight 0.11000E+01 volume 0.23173E-02 ppm1 3.912 ppm2 0.810 CV 1\par
 ASSI \{ 1466\}\par
   (( segid " " and resid 77 and name HA ))\par
   (( segid " " and resid 76 and name HA ))\par
   3.300 1.300 1.300 peak 1466 spectrum 2 weight 0.11000E+01 volume 0.13431E-02 ppm1 4.181 ppm2 4.317 CV 1\par
 ASSI \{ 1484\}\par
   (( segid " " and resid 34 and name HA ))\par
   (( segid " " and resid 34 and name HE1 ))\par
   2.900 2.900 3.100 peak 1484 spectrum 2 weight 0.11000E+01 volume 0.22416E-02 ppm1 4.456 ppm2 2.909 CV 1\par
 ASSI \{ 1485\}\par
   (( segid " " and resid 44 and name HA ))\par
   (( segid " " and resid 48 and name HB2 ))\par
   2.200 0.600 0.600 peak 1485 spectrum 2 weight 0.11000E+01 volume 0.43697E-02 ppm1 4.450 ppm2 3.357 CV 1\par
 ASSI \{ 1489\}\par
   (( segid " " and resid 83 and name HA ))\par
   (( segid " " and resid 83 and name HB2 ))\par
   2.900 1.000 1.000 peak 1489 spectrum 2 weight 0.11000E+01 volume 0.27429E-02 ppm1 3.628 ppm2 1.815 CV 1\par
 ASSI \{ 1490\}\par
   (( segid " " and resid 83 and name HA ))\par
   (( segid " " and resid 83 and name HD2 ))\par
   3.900 1.900 1.900 peak 1490 spectrum 2 weight 0.11000E+01 volume 0.24497E-02 ppm1 3.629 ppm2 1.647 CV 1\par
 ASSI \{ 1491\}\par
   (( segid " " and resid 83 and name HA ))\par
   (( segid " " and resid 83 and name HG2 ))\par
   3.100 1.200 1.200 peak 1491 spectrum 2 weight 0.11000E+01 volume 0.26389E-02 ppm1 3.627 ppm2 1.234 CV 1\par
 ASSI \{ 1545\}\par
   (( segid " " and resid 78 and name HA ))\par
   (( segid " " and resid 45 and name HG21 ))\par
   3.700 3.700 2.300 peak 1545 spectrum 2 weight 0.11000E+01 volume 0.22510E-02 ppm1 4.674 ppm2 1.388 CV 1\par
 ASSI \{ 1554\}\par
   (( segid " " and resid 49 and name HA ))\par
   (( segid " " and resid 38 and name HG ))\par
   3.300 1.300 1.300 peak 1554 spectrum 2 weight 0.11000E+01 volume 0.30172E-02 ppm1 4.232 ppm2 1.525 CV 1\par
 ASSI \{ 1558\}\par
   (( segid " " and resid 49 and name HA ))\par
   ( segid " " and resid 46 and name HG2% )\par
   3.700 3.700 2.300 peak 1558 spectrum 2 weight 0.11000E+01 volume 0.30644E-02 ppm1 4.231 ppm2 0.804 CV 1\par
 ASSI \{ 1638\}\par
   (( segid " " and resid 91 and name HA ))\par
   (( segid " " and resid 90 and name HA ))\par
   3.100 1.200 1.200 peak 1638 spectrum 2 weight 0.11000E+01 volume 0.30361E-02 ppm1 4.666 ppm2 4.308 CV 1\par
 ASSI \{ 1641\}\par
   (( segid " " and resid 57 and name HA ))\par
   (( segid " " and resid 57 and name HB1 ))\par
   2.700 0.900 0.900 peak 1641 spectrum 2 weight 0.11000E+01 volume 0.26010E-02 ppm1 4.592 ppm2 1.610 CV 1\par
 ASSI \{ 1645\}\par
   (( segid " " and resid 87 and name HA ))\par
   (( segid " " and resid 88 and name HB2 ))\par
   3.100 3.100 2.900 peak 1645 spectrum 2 weight 0.11000E+01 volume 0.41143E-02 ppm1 4.493 ppm2 3.105 CV 1\par
 ASSI \{ 1647\}\par
   (( segid " " and resid 87 and name HA ))\par
   (( segid " " and resid 87 and name HB2 ))\par
   3.000 1.100 1.100 peak 1647 spectrum 2 weight 0.11000E+01 volume 0.22984E-02 ppm1 4.488 ppm2 2.832 CV 1\par
 ASSI \{ 1697\}\par
   (( segid " " and resid 64 and name HA ))\par
   (( segid " " and resid 64 and name HB2 ))\par
   2.900 1.100 1.100 peak 1697 spectrum 2 weight 0.11000E+01 volume 0.25821E-02 ppm1 4.863 ppm2 2.119 CV 1\par
 ASSI \{ 1700\}\par
   (( segid " " and resid 91 and name HA ))\par
   (( segid " " and resid 29 and name HB2 ))\par
   3.100 3.100 2.900 peak 1700 spectrum 2 weight 0.11000E+01 volume 0.20335E-02 ppm1 4.716 ppm2 1.569 CV 1\par
 ASSI \{ 1703\}\par
   (( segid " " and resid 91 and name HA ))\par
   (( segid " " and resid 91 and name HG2 ))\par
   2.400 0.700 0.700 peak 1703 spectrum 2 weight 0.11000E+01 volume 0.26577E-02 ppm1 4.685 ppm2 2.336 CV 1\par
 ASSI \{ 1706\}\par
   (( segid " " and resid 56 and name HA ))\par
   ( segid " " and resid 38 and name HD1% )\par
   3.100 3.100 2.900 peak 1706 spectrum 2 weight 0.11000E+01 volume 0.27618E-02 ppm1 4.331 ppm2 0.821 CV 1\par
 ASSI \{ 1729\}\par
   (( segid " " and resid 29 and name HA ))\par
   (( segid " " and resid 35 and name HA ))\par
   2.700 0.900 0.900 peak 1729 spectrum 2 weight 0.11000E+01 volume 0.25159E-02 ppm1 5.032 ppm2 5.415 CV 1\par
 ASSI \{ 1791\}\par
   (( segid " " and resid 56 and name HA ))\par
   (( segid " " and resid 57 and name HA ))\par
   3.000 3.000 3.000 peak 1791 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 4.342 ppm2 4.587 CV 1\par
 ASSI \{ 1821\}\par
   (( segid " " and resid 30 and name HA ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   2.700 0.900 0.900 peak 1821 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 5.230 ppm2 1.898 CV 1\par
 ASSI \{ 1824\}\par
   (( segid " " and resid 30 and name HA ))\par
   ( segid " " and resid 30 and name HD2% )\par
   2.900 1.000 1.000 peak 1824 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 5.230 ppm2 0.714 CV 1\par
 ASSI \{ 1855\}\par
   (( segid " " and resid 35 and name HA ))\par
   ( segid " " and resid 30 and name HD2% )\par
   2.900 2.900 3.100 peak 1855 spectrum 2 weight 0.11000E+01 volume 0.35941E-02 ppm1 5.418 ppm2 0.722 CV 1\par
 ASSI \{ 1858\}\par
   (( segid " " and resid 35 and name HA ))\par
   (( segid " " and resid 35 and name HB2 ))\par
   2.800 0.900 0.900 peak 1858 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 5.416 ppm2 2.618 CV 1\par
 ASSI \{ 1859\}\par
   (( segid " " and resid 35 and name HA ))\par
   (( segid " " and resid 29 and name HB2 ))\par
   3.000 1.100 1.100 peak 1859 spectrum 2 weight 0.11000E+01 volume 0.28753E-02 ppm1 5.415 ppm2 1.553 CV 1\par
 ASSI \{ 1860\}\par
   (( segid " " and resid 35 and name HA ))\par
   (( segid " " and resid 28 and name HB2 ))\par
   3.000 1.100 1.100 peak 1860 spectrum 2 weight 0.11000E+01 volume 0.30266E-02 ppm1 5.416 ppm2 1.376 CV 1\par
 ASSI \{ 1889\}\par
   (( segid " " and resid 28 and name HA ))\par
   (( segid " " and resid 90 and name HB ))\par
   2.600 0.800 0.800 peak 1889 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 5.310 ppm2 2.002 CV 1\par
 ASSI \{ 1891\}\par
   (( segid " " and resid 28 and name HA ))\par
   (( segid " " and resid 28 and name HB1 ))\par
   2.600 0.800 0.800 peak 1891 spectrum 2 weight 0.11000E+01 volume 0.25821E-02 ppm1 5.311 ppm2 1.005 CV 1\par
 ASSI \{ 1892\}\par
   (( segid " " and resid 28 and name HA ))\par
   (( segid " " and resid 89 and name HG21 ))\par
   2.500 0.800 0.800 peak 1892 spectrum 2 weight 0.11000E+01 volume 0.28091E-02 ppm1 5.311 ppm2 0.654 CV 1\par
 ASSI \{ 1893\}\par
   (( segid " " and resid 28 and name HA ))\par
   ( segid " " and resid 28 and name HD1% )\par
   2.700 0.900 0.900 peak 1893 spectrum 2 weight 0.11000E+01 volume 0.28186E-02 ppm1 5.310 ppm2 0.261 CV 1\par
 ASSI \{ 1894\}\par
   (( segid " " and resid 28 and name HA ))\par
   (( segid " " and resid 91 and name HA ))\par
   2.800 2.800 3.200 peak 1894 spectrum 2 weight 0.11000E+01 volume 0.57412E-02 ppm1 5.273 ppm2 4.647 CV 1\par
 ASSI \{ 1903\}\par
   (( segid " " and resid 71 and name HA ))\par
   (( segid " " and resid 71 and name HG2 ))\par
   2.700 0.900 0.900 peak 1903 spectrum 2 weight 0.11000E+01 volume 0.27334E-02 ppm1 5.053 ppm2 1.718 CV 1\par
 ASSI \{ 1905\}\par
   (( segid " " and resid 41 and name HA ))\par
   (( segid " " and resid 44 and name HB2 ))\par
   3.100 1.200 1.200 peak 1905 spectrum 2 weight 0.11000E+01 volume 0.29226E-02 ppm1 4.958 ppm2 2.993 CV 1\par
 ASSI \{ 1916\}\par
   (( segid " " and resid 38 and name HA ))\par
   (( segid " " and resid 39 and name HA ))\par
   3.200 1.300 1.300 peak 1916 spectrum 2 weight 0.11000E+01 volume 0.29888E-02 ppm1 4.586 ppm2 4.409 CV 1\par
 ASSI \{ 1919\}\par
   (( segid " " and resid 38 and name HA ))\par
   ( segid " " and resid 38 and name HD1% )\par
   3.000 1.100 1.100 peak 1919 spectrum 2 weight 0.11000E+01 volume 0.23457E-02 ppm1 4.578 ppm2 0.855 CV 1\par
 ASSI \{ 1920\}\par
   (( segid " " and resid 38 and name HA ))\par
   (( segid " " and resid 38 and name HG ))\par
   2.700 0.900 0.900 peak 1920 spectrum 2 weight 0.11000E+01 volume 0.29321E-02 ppm1 4.577 ppm2 1.519 CV 1\par
 ASSI \{ 2049\}\par
   (( segid " " and resid 93 and name HD11 ))\par
   (( segid " " and resid 93 and name HG11 ))\par
   2.800 1.000 1.000 peak 2049 spectrum 2 weight 0.11000E+01 volume 0.31685E-02 ppm1 0.741 ppm2 1.607 CV 1\par
 ASSI \{ 2055\}\par
   (( segid " " and resid 93 and name HD11 ))\par
   (( segid " " and resid 93 and name HG12 ))\par
   2.900 1.000 1.000 peak 2055 spectrum 2 weight 0.11000E+01 volume 0.35847E-02 ppm1 0.724 ppm2 1.372 CV 1\par
 ASSI \{ 2242\}\par
   (( segid " " and resid 38 and name HB2 ))\par
   (( segid " " and resid 38 and name HA ))\par
   2.400 0.700 0.700 peak 2242 spectrum 2 weight 0.11000E+01 volume 0.38022E-02 ppm1 1.809 ppm2 4.574 CV 1\par
 ASSI \{ 2244\}\par
   (( segid " " and resid 38 and name HB2 ))\par
   (( segid " " and resid 38 and name HG ))\par
   2.800 1.000 1.000 peak 2244 spectrum 2 weight 0.11000E+01 volume 0.31307E-02 ppm1 1.806 ppm2 1.497 CV 1\par
 ASSI \{ 2245\}\par
   (( segid " " and resid 38 and name HB2 ))\par
   (( segid " " and resid 38 and name HB1 ))\par
   2.300 0.700 0.700 peak 2245 spectrum 2 weight 0.11000E+01 volume 0.23078E-02 ppm1 1.806 ppm2 1.121 CV 1\par
 ASSI \{ 2246\}\par
   (( segid " " and resid 38 and name HB2 ))\par
   ( segid " " and resid 53 and name HD1% )\par
   3.100 1.200 1.200 peak 2246 spectrum 2 weight 0.11000E+01 volume 0.23645E-02 ppm1 1.807 ppm2 0.911 CV 1\par
 ASSI \{ 2248\}\par
   (( segid " " and resid 38 and name HB1 ))\par
   (( segid " " and resid 38 and name HA ))\par
   2.800 1.000 1.000 peak 2248 spectrum 2 weight 0.11000E+01 volume 0.34523E-02 ppm1 1.122 ppm2 4.577 CV 1\par
 ASSI \{ 2250\}\par
   (( segid " " and resid 38 and name HB1 ))\par
   (( segid " " and resid 38 and name HG ))\par
   2.600 0.800 0.800 peak 2250 spectrum 2 weight 0.11000E+01 volume 0.32631E-02 ppm1 1.122 ppm2 1.510 CV 1\par
 ASSI \{ 2252\}\par
   (( segid " " and resid 38 and name HB1 ))\par
   ( segid " " and resid 38 and name HD1% )\par
   3.300 1.400 1.400 peak 2252 spectrum 2 weight 0.11000E+01 volume 0.25537E-02 ppm1 1.123 ppm2 0.883 CV 1\par
 ASSI \{ 2255\}\par
   (( segid " " and resid 28 and name HB2 ))\par
   (( segid " " and resid 28 and name HB1 ))\par
   2.300 0.600 0.600 peak 2255 spectrum 2 weight 0.11000E+01 volume 0.22416E-02 ppm1 1.350 ppm2 1.007 CV 1\par
 ASSI \{ 2256\}\par
   (( segid " " and resid 28 and name HB2 ))\par
   ( segid " " and resid 30 and name HD2% )\par
   3.100 1.200 1.200 peak 2256 spectrum 2 weight 0.11000E+01 volume 0.26861E-02 ppm1 1.349 ppm2 0.724 CV 1\par
 ASSI \{ 2257\}\par
   (( segid " " and resid 28 and name HB2 ))\par
   (( segid " " and resid 28 and name HG ))\par
   2.400 0.700 0.700 peak 2257 spectrum 2 weight 0.11000E+01 volume 0.30928E-02 ppm1 1.350 ppm2 0.624 CV 1\par
 ASSI \{ 2258\}\par
   (( segid " " and resid 28 and name HB2 ))\par
   ( segid " " and resid 28 and name HD1% )\par
   3.100 1.200 1.200 peak 2258 spectrum 2 weight 0.11000E+01 volume 0.47291E-02 ppm1 1.349 ppm2 0.262 CV 1\par
 ASSI \{ 2259\}\par
   (( segid " " and resid 28 and name HB2 ))\par
   (( segid " " and resid 28 and name HA ))\par
   2.800 1.000 1.000 peak 2259 spectrum 2 weight 0.11000E+01 volume 0.36225E-02 ppm1 1.345 ppm2 5.309 CV 1\par
 ASSI \{ 2260\}\par
   (( segid " " and resid 28 and name HB1 ))\par
   ( segid " " and resid 30 and name HD2% )\par
   2.400 0.800 0.800 peak 2260 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 1.009 ppm2 0.724 CV 1\par
 ASSI \{ 2261\}\par
   (( segid " " and resid 28 and name HB1 ))\par
   (( segid " " and resid 28 and name HG ))\par
   2.600 0.800 0.800 peak 2261 spectrum 2 weight 0.11000E+01 volume 0.30172E-02 ppm1 1.008 ppm2 0.616 CV 1\par
 ASSI \{ 2262\}\par
   (( segid " " and resid 28 and name HB1 ))\par
   ( segid " " and resid 28 and name HD1% )\par
   2.300 0.700 0.700 peak 2262 spectrum 2 weight 0.11000E+01 volume 0.45400E-02 ppm1 1.009 ppm2 0.267 CV 1\par
 ASSI \{ 2271\}\par
   (( segid " " and resid 58 and name HA2 ))\par
   (( segid " " and resid 58 and name HA1 ))\par
   2.600 0.800 0.800 peak 2271 spectrum 2 weight 0.11000E+01 volume 0.22605E-02 ppm1 4.175 ppm2 3.746 CV 1\par
 ASSI \{ 2292\}\par
   (( segid " " and resid 33 and name HA2 ))\par
   (( segid " " and resid 33 and name HA1 ))\par
   2.600 0.800 0.800 peak 2292 spectrum 2 weight 0.11000E+01 volume 0.20997E-02 ppm1 4.406 ppm2 3.609 CV 1\par
 ASSI \{ 2311\}\par
   (( segid " " and resid 70 and name HA2 ))\par
   (( segid " " and resid 70 and name HA1 ))\par
   2.600 0.800 0.800 peak 2311 spectrum 2 weight 0.11000E+01 volume 0.21092E-02 ppm1 4.201 ppm2 3.614 CV 1\par
 ASSI \{ 2318\}\par
   (( segid " " and resid 67 and name HB2 ))\par
   (( segid " " and resid 67 and name HB1 ))\par
   2.400 0.700 0.700 peak 2318 spectrum 2 weight 0.11000E+01 volume 0.24213E-02 ppm1 2.955 ppm2 2.805 CV 1\par
 ASSI \{ 2319\}\par
   (( segid " " and resid 67 and name HB2 ))\par
   (( segid " " and resid 91 and name HB2 ))\par
   3.000 3.000 3.000 peak 2319 spectrum 2 weight 0.11000E+01 volume 0.39441E-02 ppm1 2.950 ppm2 2.077 CV 1\par
 ASSI \{ 2321\}\par
   (( segid " " and resid 67 and name HB2 ))\par
   (( segid " " and resid 67 and name HA ))\par
   2.700 0.900 0.900 peak 2321 spectrum 2 weight 0.11000E+01 volume 0.42468E-02 ppm1 2.948 ppm2 5.359 CV 1\par
 ASSI \{ 2323\}\par
   (( segid " " and resid 67 and name HB1 ))\par
   (( segid " " and resid 67 and name HA ))\par
   2.500 0.800 0.800 peak 2323 spectrum 2 weight 0.11000E+01 volume 0.39252E-02 ppm1 2.802 ppm2 5.361 CV 1\par
 ASSI \{ 2326\}\par
   (( segid " " and resid 67 and name HB1 ))\par
   (( segid " " and resid 91 and name HB2 ))\par
   2.800 2.800 3.200 peak 2326 spectrum 2 weight 0.11000E+01 volume 0.61480E-02 ppm1 2.799 ppm2 2.078 CV 1\par
 ASSI \{ 2398\}\par
   (( segid " " and resid 30 and name HB2 ))\par
   (( segid " " and resid 30 and name HB1 ))\par
   2.400 0.700 0.700 peak 2398 spectrum 2 weight 0.11000E+01 volume 0.22038E-02 ppm1 1.901 ppm2 1.608 CV 1\par
 ASSI \{ 2400\}\par
   (( segid " " and resid 30 and name HB2 ))\par
   (( segid " " and resid 30 and name HG ))\par
   2.700 0.900 0.900 peak 2400 spectrum 2 weight 0.11000E+01 volume 0.27902E-02 ppm1 1.901 ppm2 0.739 CV 1\par
   OR \{ 2400\}\par
   (( segid " " and resid 30 and name HB2 ))\par
   ( segid " " and resid 30 and name HD2% )\par
 ASSI \{ 2403\}\par
   (( segid " " and resid 30 and name HB1 ))\par
   (( segid " " and resid 30 and name HA ))\par
   2.500 0.800 0.800 peak 2403 spectrum 2 weight 0.11000E+01 volume 0.33860E-02 ppm1 1.601 ppm2 5.229 CV 1\par
 ASSI \{ 2405\}\par
   (( segid " " and resid 30 and name HB1 ))\par
   (( segid " " and resid 30 and name HG ))\par
   2.800 1.000 1.000 peak 2405 spectrum 2 weight 0.11000E+01 volume 0.28091E-02 ppm1 1.596 ppm2 0.736 CV 1\par
   OR \{ 2405\}\par
   (( segid " " and resid 30 and name HB1 ))\par
   ( segid " " and resid 30 and name HD2% )\par
 ASSI \{ 2469\}\par
   (( segid " " and resid 35 and name HB2 ))\par
   (( segid " " and resid 35 and name HB1 ))\par
   2.700 0.900 0.900 peak 2469 spectrum 2 weight 0.11000E+01 volume 0.17214E-02 ppm1 2.627 ppm2 2.513 CV 1\par
 ASSI \{ 2470\}\par
   (( segid " " and resid 35 and name HB1 ))\par
   (( segid " " and resid 35 and name HA ))\par
   2.900 1.100 1.100 peak 2470 spectrum 2 weight 0.11000E+01 volume 0.29888E-02 ppm1 2.495 ppm2 5.417 CV 1\par
 ASSI \{ 2479\}\par
   (( segid " " and resid 68 and name HB2 ))\par
   (( segid " " and resid 68 and name HB1 ))\par
   2.500 0.800 0.800 peak 2479 spectrum 2 weight 0.11000E+01 volume 0.18916E-02 ppm1 3.249 ppm2 2.982 CV 1\par
 ASSI \{ 2482\}\par
   (( segid " " and resid 68 and name HB1 ))\par
   (( segid " " and resid 68 and name HA ))\par
   2.900 1.100 1.100 peak 2482 spectrum 2 weight 0.11000E+01 volume 0.37644E-02 ppm1 2.985 ppm2 5.288 CV 1\par
 ASSI \{ 2497\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 57 and name HA ))\par
   3.100 3.100 2.900 peak 2497 spectrum 2 weight 0.11000E+01 volume 0.29888E-02 ppm1 2.993 ppm2 4.621 CV 1\par
 ASSI \{ 2498\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 34 and name HD2 ))\par
   3.200 1.300 1.300 peak 2498 spectrum 2 weight 0.11000E+01 volume 0.19295E-02 ppm1 2.988 ppm2 1.399 CV 1\par
 ASSI \{ 2512\}\par
   (( segid " " and resid 82 and name HB2 ))\par
   (( segid " " and resid 82 and name HD21 ))\par
   2.800 2.800 3.200 peak 2512 spectrum 2 weight 0.11000E+01 volume 0.21565E-02 ppm1 1.587 ppm2 0.845 CV 1\par
 ASSI \{ 2551\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 57 and name HG1 ))\par
   2.700 2.700 3.300 peak 2551 spectrum 2 weight 0.11000E+01 volume 0.51263E-02 ppm1 2.985 ppm2 2.278 CV 1\par
   OR \{ 2551\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 57 and name HG2 ))\par
 ASSI \{ 2559\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 35 and name HB2 ))\par
   2.800 2.800 3.200 peak 2559 spectrum 2 weight 0.11000E+01 volume 0.42562E-02 ppm1 2.980 ppm2 2.647 CV 1\par
 ASSI \{ 2563\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 34 and name HG2 ))\par
   3.100 1.200 1.200 peak 2563 spectrum 2 weight 0.11000E+01 volume 0.20997E-02 ppm1 2.972 ppm2 1.244 CV 1\par
   OR \{ 2563\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 34 and name HB1 ))\par
 ASSI \{ 2585\}\par
   (( segid " " and resid 82 and name HB2 ))\par
   (( segid " " and resid 82 and name HB1 ))\par
   2.400 0.700 0.700 peak 2585 spectrum 2 weight 0.11000E+01 volume 0.21565E-02 ppm1 1.582 ppm2 1.008 CV 1\par
 ASSI \{ 2587\}\par
   (( segid " " and resid 82 and name HB2 ))\par
   (( segid " " and resid 82 and name HG ))\par
   2.500 0.800 0.800 peak 2587 spectrum 2 weight 0.11000E+01 volume 0.61385E-02 ppm1 1.551 ppm2 1.861 CV 1\par
 ASSI \{ 2592\}\par
   (( segid " " and resid 82 and name HB1 ))\par
   (( segid " " and resid 82 and name HG ))\par
   2.400 0.700 0.700 peak 2592 spectrum 2 weight 0.11000E+01 volume 0.43981E-02 ppm1 1.023 ppm2 1.851 CV 1\par
 ASSI \{ 2593\}\par
   (( segid " " and resid 82 and name HB1 ))\par
   (( segid " " and resid 82 and name HA ))\par
   2.500 0.800 0.800 peak 2593 spectrum 2 weight 0.11000E+01 volume 0.34428E-02 ppm1 1.019 ppm2 3.906 CV 1\par
 ASSI \{ 2596\}\par
   (( segid " " and resid 82 and name HB1 ))\par
   (( segid " " and resid 82 and name HD11 ))\par
   3.000 1.100 1.100 peak 2596 spectrum 2 weight 0.11000E+01 volume 0.27334E-02 ppm1 1.018 ppm2 0.711 CV 1\par
 ASSI \{ 2607\}\par
   (( segid " " and resid 34 and name HE1 ))\par
   (( segid " " and resid 34 and name HE2 ))\par
   2.500 0.800 0.800 peak 2607 spectrum 2 weight 0.11000E+01 volume 0.16079E-02 ppm1 2.898 ppm2 3.001 CV 1\par
 ASSI \{ 2613\}\par
   (( segid " " and resid 82 and name HB2 ))\par
   (( segid " " and resid 83 and name HE2 ))\par
   2.500 0.800 0.800 peak 2613 spectrum 2 weight 0.11000E+01 volume 0.28186E-02 ppm1 1.615 ppm2 2.985 CV 1\par
 ASSI \{ 2622\}\par
   (( segid " " and resid 82 and name HB1 ))\par
   (( segid " " and resid 83 and name HE2 ))\par
   2.500 2.500 3.500 peak 2622 spectrum 2 weight 0.11000E+01 volume 0.61575E-02 ppm1 1.000 ppm2 2.982 CV 1\par
 ASSI \{ 2624\}\par
   (( segid " " and resid 82 and name HD21 ))\par
   (( segid " " and resid 83 and name HE2 ))\par
   2.800 2.800 3.200 peak 2624 spectrum 2 weight 0.11000E+01 volume 0.28942E-02 ppm1 0.856 ppm2 2.976 CV 1\par
 ASSI \{ 2644\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 57 and name HG1 ))\par
   2.900 2.900 3.100 peak 2644 spectrum 2 weight 0.11000E+01 volume 0.42562E-02 ppm1 3.014 ppm2 2.308 CV 1\par
 ASSI \{ 2646\}\par
   (( segid " " and resid 44 and name HB2 ))\par
   (( segid " " and resid 44 and name HA ))\par
   2.600 2.600 3.400 peak 2646 spectrum 2 weight 0.11000E+01 volume 0.35090E-02 ppm1 3.011 ppm2 4.437 CV 1\par
 ASSI \{ 2647\}\par
   (( segid " " and resid 44 and name HB2 ))\par
   (( segid " " and resid 48 and name HB2 ))\par
   3.200 3.200 2.800 peak 2647 spectrum 2 weight 0.11000E+01 volume 0.34333E-02 ppm1 3.011 ppm2 3.335 CV 1\par
 ASSI \{ 2651\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 30 and name HB1 ))\par
   3.300 3.300 2.700 peak 2651 spectrum 2 weight 0.11000E+01 volume 0.17592E-02 ppm1 3.012 ppm2 1.652 CV 1\par
 ASSI \{ 2657\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   2.600 2.600 3.400 peak 2657 spectrum 2 weight 0.11000E+01 volume 0.34711E-02 ppm1 2.945 ppm2 1.920 CV 1\par
 ASSI \{ 2659\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   (( segid " " and resid 30 and name HG ))\par
   2.700 2.700 3.300 peak 2659 spectrum 2 weight 0.11000E+01 volume 0.32631E-02 ppm1 2.945 ppm2 0.754 CV 1\par
   OR \{ 2659\}\par
   (( segid " " and resid 34 and name HE2 ))\par
   ( segid " " and resid 30 and name HD2% )\par
 ASSI \{ 2667\}\par
   (( segid " " and resid 34 and name HE1 ))\par
   (( segid " " and resid 35 and name HB2 ))\par
   2.900 2.900 3.100 peak 2667 spectrum 2 weight 0.11000E+01 volume 0.29605E-02 ppm1 2.866 ppm2 2.656 CV 1\par
 ASSI \{ 2670\}\par
   (( segid " " and resid 34 and name HE1 ))\par
   (( segid " " and resid 34 and name HB2 ))\par
   3.200 1.300 1.300 peak 2670 spectrum 2 weight 0.11000E+01 volume 0.20903E-02 ppm1 2.864 ppm2 1.586 CV 1\par
 ASSI \{ 2671\}\par
   (( segid " " and resid 34 and name HE1 ))\par
   (( segid " " and resid 30 and name HG ))\par
   2.900 1.100 1.100 peak 2671 spectrum 2 weight 0.11000E+01 volume 0.30834E-02 ppm1 2.867 ppm2 0.750 CV 1\par
   OR \{ 2671\}\par
   (( segid " " and resid 34 and name HE1 ))\par
   ( segid " " and resid 30 and name HD2% )\par
 ASSI \{ 2672\}\par
   (( segid " " and resid 34 and name HE1 ))\par
   (( segid " " and resid 34 and name HG2 ))\par
   2.900 1.100 1.100 peak 2672 spectrum 2 weight 0.11000E+01 volume 0.24119E-02 ppm1 2.863 ppm2 1.232 CV 1\par
 ASSI \{ 2732\}\par
   (( segid " " and resid 44 and name HB2 ))\par
   (( segid " " and resid 41 and name HD1 ))\par
   2.400 2.400 3.600 peak 2732 spectrum 2 weight 0.11000E+01 volume 0.28375E-02 ppm1 3.023 ppm2 2.630 CV 1\par
 ASSI \{ 2775\}\par
   (( segid " " and resid 53 and name HB2 ))\par
   (( segid " " and resid 53 and name HA ))\par
   2.400 0.700 0.700 peak 2775 spectrum 2 weight 0.11000E+01 volume 0.48615E-02 ppm1 2.462 ppm2 4.255 CV 1\par
 ASSI \{ 2776\}\par
   (( segid " " and resid 53 and name HB2 ))\par
   (( segid " " and resid 53 and name HB1 ))\par
   2.200 0.600 0.600 peak 2776 spectrum 2 weight 0.11000E+01 volume 0.24213E-02 ppm1 2.458 ppm2 1.640 CV 1\par
 ASSI \{ 2777\}\par
   (( segid " " and resid 53 and name HB2 ))\par
   ( segid " " and resid 53 and name HD1% )\par
   3.100 1.200 1.200 peak 2777 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 2.458 ppm2 0.921 CV 1\par
 ASSI \{ 2781\}\par
   (( segid " " and resid 53 and name HB1 ))\par
   ( segid " " and resid 53 and name HD1% )\par
   2.700 0.900 0.900 peak 2781 spectrum 2 weight 0.11000E+01 volume 0.26105E-02 ppm1 1.657 ppm2 0.923 CV 1\par
 ASSI \{ 2807\}\par
   (( segid " " and resid 88 and name HB2 ))\par
   (( segid " " and resid 89 and name HB ))\par
   3.100 3.100 2.900 peak 2807 spectrum 2 weight 0.11000E+01 volume 0.33293E-02 ppm1 3.122 ppm2 1.740 CV 1\par
 ASSI \{ 2896\}\par
   (( segid " " and resid 47 and name HB1 ))\par
   (( segid " " and resid 47 and name HA ))\par
   2.700 2.700 3.300 peak 2896 spectrum 2 weight 0.11000E+01 volume 0.49088E-02 ppm1 2.780 ppm2 3.726 CV 1\par
 ASSI \{ 2985\}\par
   (( segid " " and resid 84 and name HB ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   2.600 2.600 3.400 peak 2985 spectrum 2 weight 0.11000E+01 volume 0.40671E-02 ppm1 1.364 ppm2 1.147 CV 1\par
 ASSI \{ 3005\}\par
   (( segid " " and resid 93 and name HB ))\par
   (( segid " " and resid 93 and name HG12 ))\par
   2.800 1.000 1.000 peak 3005 spectrum 2 weight 0.11000E+01 volume 0.37833E-02 ppm1 2.151 ppm2 1.396 CV 1\par
 ASSI \{ 3008\}\par
   (( segid " " and resid 93 and name HB ))\par
   (( segid " " and resid 93 and name HG21 ))\par
   3.000 1.100 1.100 peak 3008 spectrum 2 weight 0.11000E+01 volume 0.24970E-02 ppm1 2.137 ppm2 0.914 CV 1\par
 ASSI \{ 3009\}\par
   (( segid " " and resid 93 and name HB ))\par
   (( segid " " and resid 93 and name HG11 ))\par
   2.500 0.800 0.800 peak 3009 spectrum 2 weight 0.11000E+01 volume 0.35279E-02 ppm1 2.134 ppm2 1.617 CV 1\par
 ASSI \{ 3010\}\par
   (( segid " " and resid 93 and name HB ))\par
   (( segid " " and resid 93 and name HD11 ))\par
   2.400 0.700 0.700 peak 3010 spectrum 2 weight 0.11000E+01 volume 0.35847E-02 ppm1 2.133 ppm2 0.736 CV 1\par
 ASSI \{ 3228\}\par
   (( segid " " and resid 34 and name HB2 ))\par
   (( segid " " and resid 34 and name HB1 ))\par
   2.400 0.700 0.700 peak 3228 spectrum 2 weight 0.11000E+01 volume 0.21187E-02 ppm1 1.611 ppm2 1.270 CV 1\par
 ASSI \{ 3231\}\par
   (( segid " " and resid 34 and name HB2 ))\par
   (( segid " " and resid 30 and name HG ))\par
   3.100 1.200 1.200 peak 3231 spectrum 2 weight 0.11000E+01 volume 0.29699E-02 ppm1 1.604 ppm2 0.740 CV 1\par
   OR \{ 3231\}\par
   (( segid " " and resid 34 and name HB2 ))\par
   ( segid " " and resid 30 and name HD2% )\par
 ASSI \{ 3233\}\par
   (( segid " " and resid 34 and name HB2 ))\par
   (( segid " " and resid 34 and name HA ))\par
   2.600 0.800 0.800 peak 3233 spectrum 2 weight 0.11000E+01 volume 0.32725E-02 ppm1 1.573 ppm2 4.415 CV 1\par
 ASSI \{ 3257\}\par
   (( segid " " and resid 34 and name HB2 ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   2.900 2.900 3.100 peak 3257 spectrum 2 weight 0.11000E+01 volume 0.45873E-02 ppm1 1.601 ppm2 1.873 CV 1\par
 ASSI \{ 3331\}\par
   (( segid " " and resid 40 and name HB ))\par
   (( segid " " and resid 40 and name HA ))\par
   2.700 0.900 0.900 peak 3331 spectrum 2 weight 0.11000E+01 volume 0.28847E-02 ppm1 2.490 ppm2 4.492 CV 1\par
 ASSI \{ 3334\}\par
   (( segid " " and resid 49 and name HB1 ))\par
   (( segid " " and resid 38 and name HG ))\par
   3.000 3.000 3.000 peak 3334 spectrum 2 weight 0.11000E+01 volume 0.68007E-02 ppm1 1.866 ppm2 1.495 CV 1\par
 ASSI \{ 3350\}\par
   (( segid " " and resid 37 and name HB1 ))\par
   (( segid " " and resid 37 and name HB2 ))\par
   2.000 0.500 0.500 peak 3350 spectrum 2 weight 0.11000E+01 volume 0.69046E-02 ppm1 1.435 ppm2 1.591 CV 1\par
 ASSI \{ 3376\}\par
   (( segid " " and resid 49 and name HB2 ))\par
   (( segid " " and resid 46 and name HB ))\par
   3.700 3.700 2.300 peak 3376 spectrum 2 weight 0.11000E+01 volume 0.29415E-02 ppm1 2.867 ppm2 2.323 CV 1\par
 ASSI \{ 3401\}\par
   (( segid " " and resid 37 and name HB2 ))\par
   (( segid " " and resid 27 and name HB2 ))\par
   3.000 3.000 3.000 peak 3401 spectrum 2 weight 0.11000E+01 volume 0.35374E-02 ppm1 1.550 ppm2 1.872 CV 1\par
 ASSI \{ 3413\}\par
   (( segid " " and resid 49 and name HB1 ))\par
   (( segid " " and resid 46 and name HB ))\par
   3.600 1.600 1.600 peak 3413 spectrum 2 weight 0.11000E+01 volume 0.24497E-02 ppm1 1.882 ppm2 2.329 CV 1\par
 ASSI \{ 3415\}\par
   (( segid " " and resid 92 and name HB ))\par
   (( segid " " and resid 91 and name HG2 ))\par
   2.900 2.900 3.100 peak 3415 spectrum 2 weight 0.11000E+01 volume 0.68951E-02 ppm1 1.688 ppm2 2.338 CV 1\par
 ASSI \{ 3443\}\par
   (( segid " " and resid 64 and name HB1 ))\par
   (( segid " " and resid 64 and name HA ))\par
   2.400 0.700 0.700 peak 3443 spectrum 2 weight 0.11000E+01 volume 0.48237E-02 ppm1 1.753 ppm2 4.862 CV 1\par
 ASSI \{ 3444\}\par
   (( segid " " and resid 64 and name HB1 ))\par
   (( segid " " and resid 64 and name HB2 ))\par
   2.300 0.600 0.600 peak 3444 spectrum 2 weight 0.11000E+01 volume 0.33388E-02 ppm1 1.752 ppm2 2.123 CV 1\par
 ASSI \{ 3453\}\par
   (( segid " " and resid 92 and name HB ))\par
   (( segid " " and resid 92 and name HG21 ))\par
   2.700 0.900 0.900 peak 3453 spectrum 2 weight 0.11000E+01 volume 0.24686E-02 ppm1 1.700 ppm2 0.554 CV 1\par
 ASSI \{ 3454\}\par
   (( segid " " and resid 92 and name HB ))\par
   (( segid " " and resid 30 and name HA ))\par
   3.200 1.300 1.300 peak 3454 spectrum 2 weight 0.11000E+01 volume 0.30739E-02 ppm1 1.695 ppm2 5.231 CV 1\par
 ASSI \{ 3455\}\par
   (( segid " " and resid 92 and name HB ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   2.400 0.700 0.700 peak 3455 spectrum 2 weight 0.11000E+01 volume 0.27996E-02 ppm1 1.694 ppm2 -0.384 CV 1\par
 ASSI \{ 3494\}\par
   (( segid " " and resid 64 and name HB2 ))\par
   (( segid " " and resid 64 and name HG2 ))\par
   2.800 1.000 1.000 peak 3494 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 2.087 ppm2 2.534 CV 1\par
 ASSI \{ 3495\}\par
   (( segid " " and resid 77 and name HB2 ))\par
   (( segid " " and resid 77 and name HA ))\par
   2.800 1.000 1.000 peak 3495 spectrum 2 weight 0.11000E+01 volume 0.42373E-02 ppm1 2.080 ppm2 4.167 CV 1\par
 ASSI \{ 3497\}\par
   (( segid " " and resid 65 and name HB2 ))\par
   (( segid " " and resid 65 and name HA ))\par
   2.700 0.900 0.900 peak 3497 spectrum 2 weight 0.11000E+01 volume 0.41616E-02 ppm1 2.006 ppm2 5.307 CV 1\par
 ASSI \{ 3499\}\par
   (( segid " " and resid 90 and name HB ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   3.000 1.100 1.100 peak 3499 spectrum 2 weight 0.11000E+01 volume 0.20713E-02 ppm1 2.008 ppm2 1.156 CV 1\par
 ASSI \{ 3500\}\par
   (( segid " " and resid 90 and name HB ))\par
   ( segid " " and resid 28 and name HD1% )\par
   2.600 0.900 0.900 peak 3500 spectrum 2 weight 0.11000E+01 volume 0.27618E-02 ppm1 2.007 ppm2 0.265 CV 1\par
 ASSI \{ 3502\}\par
   (( segid " " and resid 77 and name HB1 ))\par
   (( segid " " and resid 77 and name HB2 ))\par
   2.200 0.600 0.600 peak 3502 spectrum 2 weight 0.11000E+01 volume 0.30077E-02 ppm1 1.856 ppm2 2.073 CV 1\par
 ASSI \{ 3515\}\par
   (( segid " " and resid 92 and name HB ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   3.500 3.500 2.500 peak 3515 spectrum 2 weight 0.11000E+01 volume 0.26483E-02 ppm1 1.693 ppm2 1.869 CV 1\par
 ASSI \{ 3541\}\par
   (( segid " " and resid 77 and name HB2 ))\par
   (( segid " " and resid 46 and name HB ))\par
   2.500 2.500 3.500 peak 3541 spectrum 2 weight 0.11000E+01 volume 0.32915E-02 ppm1 2.028 ppm2 2.369 CV 1\par
 ASSI \{ 3544\}\par
   (( segid " " and resid 94 and name HB ))\par
   (( segid " " and resid 63 and name HA ))\par
   2.800 1.000 1.000 peak 3544 spectrum 2 weight 0.11000E+01 volume 0.26956E-02 ppm1 1.985 ppm2 4.704 CV 1\par
 ASSI \{ 3546\}\par
   (( segid " " and resid 90 and name HB ))\par
   (( segid " " and resid 68 and name HB2 ))\par
   3.300 3.300 2.700 peak 3546 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 1.977 ppm2 3.272 CV 1\par
 ASSI \{ 3588\}\par
   (( segid " " and resid 76 and name HB2 ))\par
   (( segid " " and resid 76 and name HG1 ))\par
   2.700 2.700 3.300 peak 3588 spectrum 2 weight 0.11000E+01 volume 0.19106E-02 ppm1 1.918 ppm2 1.420 CV 1\par
 ASSI \{ 3589\}\par
   (( segid " " and resid 77 and name HB1 ))\par
   (( segid " " and resid 77 and name HA ))\par
   2.700 0.900 0.900 peak 3589 spectrum 2 weight 0.11000E+01 volume 0.21092E-02 ppm1 1.873 ppm2 4.164 CV 1\par
 ASSI \{ 3591\}\par
   (( segid " " and resid 76 and name HB1 ))\par
   (( segid " " and resid 76 and name HG2 ))\par
   3.100 1.200 1.200 peak 3591 spectrum 2 weight 0.11000E+01 volume 0.17403E-02 ppm1 1.799 ppm2 1.510 CV 1\par
 ASSI \{ 3592\}\par
   (( segid " " and resid 76 and name HB1 ))\par
   (( segid " " and resid 77 and name HA ))\par
   2.800 2.800 3.200 peak 3592 spectrum 2 weight 0.11000E+01 volume 0.23362E-02 ppm1 1.795 ppm2 4.182 CV 1\par
 ASSI \{ 3594\}\par
   (( segid " " and resid 76 and name HB1 ))\par
   (( segid " " and resid 77 and name HG2 ))\par
   3.100 3.100 2.900 peak 3594 spectrum 2 weight 0.11000E+01 volume 0.20903E-02 ppm1 1.780 ppm2 1.429 CV 1\par
 ASSI \{ 3603\}\par
   (( segid " " and resid 57 and name HB1 ))\par
   (( segid " " and resid 34 and name HG2 ))\par
   2.600 2.600 3.400 peak 3603 spectrum 2 weight 0.11000E+01 volume 0.36130E-02 ppm1 1.573 ppm2 1.226 CV 1\par
 ASSI \{ 3606\}\par
   (( segid " " and resid 57 and name HB1 ))\par
   (( segid " " and resid 34 and name HG2 ))\par
   2.600 2.600 3.400 peak 3606 spectrum 2 weight 0.11000E+01 volume 0.33104E-02 ppm1 1.557 ppm2 1.253 CV 1\par
   OR \{ 3606\}\par
   (( segid " " and resid 57 and name HB1 ))\par
   (( segid " " and resid 34 and name HB1 ))\par
 ASSI \{ 3607\}\par
   (( segid " " and resid 29 and name HB2 ))\par
   (( segid " " and resid 29 and name HA ))\par
   2.500 0.800 0.800 peak 3607 spectrum 2 weight 0.11000E+01 volume 0.27334E-02 ppm1 1.546 ppm2 5.025 CV 1\par
 ASSI \{ 3664\}\par
   (( segid " " and resid 76 and name HB2 ))\par
   (( segid " " and resid 77 and name HA ))\par
   3.200 3.200 2.800 peak 3664 spectrum 2 weight 0.11000E+01 volume 0.22038E-02 ppm1 1.936 ppm2 4.204 CV 1\par
 ASSI \{ 3683\}\par
   (( segid " " and resid 41 and name HB1 ))\par
   (( segid " " and resid 44 and name HB2 ))\par
   3.000 1.100 1.100 peak 3683 spectrum 2 weight 0.11000E+01 volume 0.28091E-02 ppm1 1.603 ppm2 2.997 CV 1\par
   OR \{ 3683\}\par
   (( segid " " and resid 41 and name HB2 ))\par
   (( segid " " and resid 44 and name HB2 ))\par
 ASSI \{ 3685\}\par
   (( segid " " and resid 41 and name HB2 ))\par
   (( segid " " and resid 41 and name HA ))\par
   2.700 0.900 0.900 peak 3685 spectrum 2 weight 0.11000E+01 volume 0.27429E-02 ppm1 1.597 ppm2 4.963 CV 1\par
   OR \{ 3685\}\par
   (( segid " " and resid 41 and name HB1 ))\par
   (( segid " " and resid 41 and name HA ))\par
 ASSI \{ 3724\}\par
   (( segid " " and resid 59 and name HB ))\par
   (( segid " " and resid 64 and name HG1 ))\par
   2.600 2.600 3.400 peak 3724 spectrum 2 weight 0.11000E+01 volume 0.52777E-02 ppm1 1.154 ppm2 2.290 CV 1\par
 ASSI \{ 3729\}\par
   (( segid " " and resid 71 and name HB2 ))\par
   (( segid " " and resid 71 and name HD2 ))\par
   2.900 1.100 1.100 peak 3729 spectrum 2 weight 0.11000E+01 volume 0.29793E-02 ppm1 1.999 ppm2 3.261 CV 1\par
   OR \{ 3729\}\par
   (( segid " " and resid 71 and name HB1 ))\par
   (( segid " " and resid 71 and name HD2 ))\par
 ASSI \{ 3730\}\par
   (( segid " " and resid 71 and name HB1 ))\par
   (( segid " " and resid 71 and name HA ))\par
   2.800 0.900 0.900 peak 3730 spectrum 2 weight 0.11000E+01 volume 0.27145E-02 ppm1 1.986 ppm2 5.052 CV 1\par
   OR \{ 3730\}\par
   (( segid " " and resid 71 and name HB2 ))\par
   (( segid " " and resid 71 and name HA ))\par
 ASSI \{ 3732\}\par
   (( segid " " and resid 71 and name HB1 ))\par
   (( segid " " and resid 71 and name HG2 ))\par
   3.000 1.100 1.100 peak 3732 spectrum 2 weight 0.11000E+01 volume 0.16174E-02 ppm1 1.987 ppm2 1.724 CV 1\par
   OR \{ 3732\}\par
   (( segid " " and resid 71 and name HB2 ))\par
   (( segid " " and resid 71 and name HG2 ))\par
 ASSI \{ 3756\}\par
   (( segid " " and resid 48 and name HB2 ))\par
   (( segid " " and resid 51 and name HA ))\par
   3.400 3.400 2.600 peak 3756 spectrum 2 weight 0.11000E+01 volume 0.48899E-02 ppm1 3.352 ppm2 4.033 CV 1\par
 ASSI \{ 3764\}\par
   (( segid " " and resid 24 and name HB2 ))\par
   (( segid " " and resid 24 and name HB1 ))\par
   2.500 0.800 0.800 peak 3764 spectrum 2 weight 0.11000E+01 volume 0.21659E-02 ppm1 2.694 ppm2 2.350 CV 1\par
 ASSI \{ 3769\}\par
   (( segid " " and resid 46 and name HB ))\par
   ( segid " " and resid 46 and name HG2% )\par
   2.600 0.900 0.900 peak 3769 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 2.325 ppm2 0.792 CV 1\par
 ASSI \{ 3772\}\par
   (( segid " " and resid 39 and name HB ))\par
   (( segid " " and resid 39 and name HA ))\par
   2.800 1.000 1.000 peak 3772 spectrum 2 weight 0.11000E+01 volume 0.28753E-02 ppm1 1.922 ppm2 4.444 CV 1\par
 ASSI \{ 3773\}\par
   (( segid " " and resid 39 and name HB ))\par
   ( segid " " and resid 39 and name HG1% )\par
   2.900 1.100 1.100 peak 3773 spectrum 2 weight 0.11000E+01 volume 0.19862E-02 ppm1 1.921 ppm2 0.865 CV 1\par
 ASSI \{ 3804\}\par
   (( segid " " and resid 46 and name HB ))\par
   (( segid " " and resid 77 and name HG2 ))\par
   2.500 0.800 0.800 peak 3804 spectrum 2 weight 0.11000E+01 volume 0.45967E-02 ppm1 2.332 ppm2 1.393 CV 1\par
 ASSI \{ 3805\}\par
   (( segid " " and resid 24 and name HB1 ))\par
   (( segid " " and resid 42 and name HA ))\par
   3.200 3.200 2.800 peak 3805 spectrum 2 weight 0.11000E+01 volume 0.28753E-02 ppm1 2.325 ppm2 3.572 CV 1\par
 ASSI \{ 3809\}\par
   (( segid " " and resid 24 and name HB1 ))\par
   (( segid " " and resid 79 and name HA ))\par
   3.000 3.000 3.000 peak 3809 spectrum 2 weight 0.11000E+01 volume 0.28658E-02 ppm1 2.323 ppm2 3.789 CV 1\par
 ASSI \{ 3819\}\par
   (( segid " " and resid 39 and name HB ))\par
   (( segid " " and resid 38 and name HG ))\par
   2.900 2.900 3.100 peak 3819 spectrum 2 weight 0.11000E+01 volume 0.31591E-02 ppm1 1.947 ppm2 1.498 CV 1\par
 ASSI \{ 3820\}\par
   (( segid " " and resid 27 and name HB2 ))\par
   (( segid " " and resid 37 and name HB1 ))\par
   3.000 3.000 3.000 peak 3820 spectrum 2 weight 0.11000E+01 volume 0.22794E-02 ppm1 1.902 ppm2 1.442 CV 1\par
 ASSI \{ 3827\}\par
   (( segid " " and resid 27 and name HB2 ))\par
   (( segid " " and resid 27 and name HA ))\par
   2.600 2.600 3.400 peak 3827 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 1.844 ppm2 4.659 CV 1\par
 ASSI \{ 3844\}\par
   (( segid " " and resid 66 and name HB2 ))\par
   (( segid " " and resid 66 and name HB1 ))\par
   2.200 0.600 0.600 peak 3844 spectrum 2 weight 0.11000E+01 volume 0.46345E-02 ppm1 3.147 ppm2 3.073 CV 1\par
 ASSI \{ 3937\}\par
   (( segid " " and resid 91 and name HB2 ))\par
   (( segid " " and resid 29 and name HB2 ))\par
   2.900 2.900 3.100 peak 3937 spectrum 2 weight 0.11000E+01 volume 0.52777E-02 ppm1 2.079 ppm2 1.524 CV 1\par
 ASSI \{ 4013\}\par
   (( segid " " and resid 81 and name HB1 ))\par
   (( segid " " and resid 78 and name HA ))\par
   2.400 2.400 3.600 peak 4013 spectrum 2 weight 0.11000E+01 volume 0.29983E-02 ppm1 2.138 ppm2 4.687 CV 1\par
 ASSI \{ 4014\}\par
   (( segid " " and resid 91 and name HB2 ))\par
   (( segid " " and resid 91 and name HA ))\par
   2.600 0.800 0.800 peak 4014 spectrum 2 weight 0.11000E+01 volume 0.28847E-02 ppm1 2.057 ppm2 4.684 CV 1\par
 ASSI \{ 4093\}\par
   (( segid " " and resid 81 and name HB1 ))\par
   (( segid " " and resid 81 and name HB2 ))\par
   2.600 0.900 0.900 peak 4093 spectrum 2 weight 0.11000E+01 volume 0.16268E-02 ppm1 2.108 ppm2 2.341 CV 1\par
 ASSI \{ 4099\}\par
   (( segid " " and resid 83 and name HB2 ))\par
   (( segid " " and resid 83 and name HG2 ))\par
   2.600 0.800 0.800 peak 4099 spectrum 2 weight 0.11000E+01 volume 0.23267E-02 ppm1 1.815 ppm2 1.219 CV 1\par
 ASSI \{ 4195\}\par
   (( segid " " and resid 83 and name HB2 ))\par
   (( segid " " and resid 83 and name HE2 ))\par
   2.800 1.000 1.000 peak 4195 spectrum 2 weight 0.11000E+01 volume 0.54858E-02 ppm1 1.818 ppm2 2.947 CV 1\par
 ASSI \{ 4487\}\par
   (( segid " " and resid 28 and name HG ))\par
   (( segid " " and resid 28 and name HA ))\par
   2.900 1.100 1.100 peak 4487 spectrum 2 weight 0.11000E+01 volume 0.41238E-02 ppm1 0.598 ppm2 5.306 CV 1\par
 ASSI \{ 4491\}\par
   (( segid " " and resid 28 and name HG ))\par
   ( segid " " and resid 28 and name HD1% )\par
   2.600 0.900 0.900 peak 4491 spectrum 2 weight 0.11000E+01 volume 0.25348E-02 ppm1 0.598 ppm2 0.266 CV 1\par
 ASSI \{ 4492\}\par
   (( segid " " and resid 28 and name HG ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   3.000 1.100 1.100 peak 4492 spectrum 2 weight 0.11000E+01 volume 0.31307E-02 ppm1 0.597 ppm2 -0.385 CV 1\par
 ASSI \{ 4637\}\par
   (( segid " " and resid 28 and name HG ))\par
   (( segid " " and resid 90 and name HB ))\par
   2.900 2.900 3.100 peak 4637 spectrum 2 weight 0.11000E+01 volume 0.57412E-02 ppm1 0.639 ppm2 1.986 CV 1\par
 ASSI \{ 4732\}\par
   (( segid " " and resid 46 and name HA ))\par
   (( segid " " and resid 47 and name HB2 ))\par
   3.000 3.000 3.000 peak 4732 spectrum 2 weight 0.11000E+01 volume 0.43319E-02 ppm1 3.254 ppm2 2.961 CV 1\par
 ASSI \{ 4733\}\par
   (( segid " " and resid 46 and name HA ))\par
   (( segid " " and resid 46 and name HB ))\par
   2.400 0.700 0.700 peak 4733 spectrum 2 weight 0.11000E+01 volume 0.43413E-02 ppm1 3.251 ppm2 2.330 CV 1\par
 ASSI \{ 4734\}\par
   (( segid " " and resid 46 and name HA ))\par
   (( segid " " and resid 49 and name HB1 ))\par
   2.100 0.500 0.500 peak 4734 spectrum 2 weight 0.11000E+01 volume 0.25443E-02 ppm1 3.253 ppm2 1.912 CV 1\par
 ASSI \{ 4735\}\par
   (( segid " " and resid 46 and name HA ))\par
   ( segid " " and resid 46 and name HG2% )\par
   2.500 0.800 0.800 peak 4735 spectrum 2 weight 0.11000E+01 volume 0.26010E-02 ppm1 3.254 ppm2 0.794 CV 1\par
 ASSI \{ 4961\}\par
   (( segid " " and resid 53 and name HG ))\par
   (( segid " " and resid 64 and name HB2 ))\par
   2.900 2.900 3.100 peak 4961 spectrum 2 weight 0.11000E+01 volume 0.57317E-02 ppm1 0.992 ppm2 2.084 CV 1\par
 ASSI \{ 4964\}\par
   (( segid " " and resid 53 and name HG ))\par
   (( segid " " and resid 50 and name HA ))\par
   2.900 1.000 1.000 peak 4964 spectrum 2 weight 0.11000E+01 volume 0.37549E-02 ppm1 0.958 ppm2 4.584 CV 1\par
 ASSI \{ 4965\}\par
   (( segid " " and resid 53 and name HG ))\par
   (( segid " " and resid 53 and name HA ))\par
   2.900 1.100 1.100 peak 4965 spectrum 2 weight 0.11000E+01 volume 0.24970E-02 ppm1 0.958 ppm2 4.255 CV 1\par
 ASSI \{ 4966\}\par
   (( segid " " and resid 53 and name HG ))\par
   (( segid " " and resid 53 and name HB2 ))\par
   2.500 0.800 0.800 peak 4966 spectrum 2 weight 0.11000E+01 volume 0.27618E-02 ppm1 0.959 ppm2 2.452 CV 1\par
 ASSI \{ 4971\}\par
   (( segid " " and resid 53 and name HG ))\par
   ( segid " " and resid 28 and name HD1% )\par
   2.600 0.900 0.900 peak 4971 spectrum 2 weight 0.11000E+01 volume 0.30550E-02 ppm1 0.960 ppm2 0.266 CV 1\par
 ASSI \{ 4972\}\par
   (( segid " " and resid 53 and name HG ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   2.500 2.500 3.500 peak 4972 spectrum 2 weight 0.11000E+01 volume 0.42184E-02 ppm1 0.959 ppm2 -0.384 CV 1\par
 ASSI \{ 5085\}\par
   (( segid " " and resid 30 and name HG ))\par
   (( segid " " and resid 30 and name HA ))\par
   2.900 1.100 1.100 peak 5085 spectrum 2 weight 0.11000E+01 volume 0.32820E-02 ppm1 0.763 ppm2 5.231 CV 1\par
 ASSI \{ 5087\}\par
   (( segid " " and resid 30 and name HG ))\par
   (( segid " " and resid 30 and name HB2 ))\par
   2.700 0.900 0.900 peak 5087 spectrum 2 weight 0.11000E+01 volume 0.24213E-02 ppm1 0.766 ppm2 1.887 CV 1\par
 ASSI \{ 5088\}\par
   (( segid " " and resid 30 and name HG ))\par
   (( segid " " and resid 30 and name HB1 ))\par
   2.900 1.100 1.100 peak 5088 spectrum 2 weight 0.11000E+01 volume 0.19200E-02 ppm1 0.763 ppm2 1.614 CV 1\par
 ASSI \{ 5089\}\par
   (( segid " " and resid 30 and name HG ))\par
   (( segid " " and resid 34 and name HB1 ))\par
   2.600 2.600 3.400 peak 5089 spectrum 2 weight 0.11000E+01 volume 0.27902E-02 ppm1 0.763 ppm2 1.316 CV 1\par
 ASSI \{ 5092\}\par
   (( segid " " and resid 30 and name HG ))\par
   ( segid " " and resid 28 and name HD1% )\par
   3.400 3.400 2.600 peak 5092 spectrum 2 weight 0.11000E+01 volume 0.38684E-02 ppm1 0.764 ppm2 0.302 CV 1\par
 ASSI \{ 5093\}\par
   (( segid " " and resid 30 and name HG ))\par
   (( segid " " and resid 92 and name HG11 ))\par
   3.500 1.500 1.500 peak 5093 spectrum 2 weight 0.11000E+01 volume 0.37360E-02 ppm1 0.764 ppm2 -0.385 CV 1\par
 ASSI \{ 5097\}\par
   ( segid " " and resid 28 and name HD1% )\par
   (( segid " " and resid 30 and name HB1 ))\par
   3.400 3.400 2.600 peak 5097 spectrum 2 weight 0.11000E+01 volume 0.26294E-02 ppm1 0.262 ppm2 1.615 CV 1\par
 ASSI \{ 5099\}\par
   ( segid " " and resid 28 and name HD1% )\par
   ( segid " " and resid 53 and name HD1% )\par
   3.000 1.100 1.100 peak 5099 spectrum 2 weight 0.11000E+01 volume 0.21659E-02 ppm1 0.262 ppm2 0.896 CV 1\par
 ASSI \{ 5379\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 90 and name HB ))\par
   2.700 0.900 0.900 peak 5379 spectrum 2 weight 0.11000E+01 volume 0.36604E-02 ppm1 0.806 ppm2 1.987 CV 1\par
 ASSI \{ 5380\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 78 and name HB2 ))\par
   3.300 3.300 2.700 peak 5380 spectrum 2 weight 0.11000E+01 volume 0.32537E-02 ppm1 0.800 ppm2 1.585 CV 1\par
 ASSI \{ 5382\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 45 and name HB ))\par
   3.100 3.100 2.900 peak 5382 spectrum 2 weight 0.11000E+01 volume 0.45400E-02 ppm1 0.788 ppm2 4.831 CV 1\par
 ASSI \{ 5383\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 75 and name HA ))\par
   3.400 1.500 1.500 peak 5383 spectrum 2 weight 0.11000E+01 volume 0.34523E-02 ppm1 0.787 ppm2 4.247 CV 1\par
 ASSI \{ 5385\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 47 and name HB2 ))\par
   3.200 3.200 2.800 peak 5385 spectrum 2 weight 0.11000E+01 volume 0.47764E-02 ppm1 0.789 ppm2 2.923 CV 1\par
 ASSI \{ 5389\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 77 and name HG2 ))\par
   3.000 1.100 1.100 peak 5389 spectrum 2 weight 0.11000E+01 volume 0.31307E-02 ppm1 0.789 ppm2 1.392 CV 1\par
 ASSI \{ 5394\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 77 and name HB2 ))\par
   2.500 0.800 0.800 peak 5394 spectrum 2 weight 0.11000E+01 volume 0.23457E-02 ppm1 0.784 ppm2 2.074 CV 1\par
 ASSI \{ 5395\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 49 and name HB1 ))\par
   3.600 1.600 1.600 peak 5395 spectrum 2 weight 0.11000E+01 volume 0.22132E-02 ppm1 0.785 ppm2 1.917 CV 1\par
 ASSI \{ 5407\}\par
   ( segid " " and resid 30 and name HD2% )\par
   (( segid " " and resid 30 and name HB1 ))\par
   2.900 1.100 1.100 peak 5407 spectrum 2 weight 0.11000E+01 volume 0.20713E-02 ppm1 0.704 ppm2 1.638 CV 1\par
 ASSI \{ 5410\}\par
   ( segid " " and resid 30 and name HD2% )\par
   ( segid " " and resid 28 and name HD1% )\par
   2.900 1.100 1.100 peak 5410 spectrum 2 weight 0.11000E+01 volume 0.33009E-02 ppm1 0.705 ppm2 0.268 CV 1\par
 ASSI \{ 5411\}\par
   ( segid " " and resid 30 and name HD2% )\par
   (( segid " " and resid 92 and name HG11 ))\par
   2.600 0.900 0.900 peak 5411 spectrum 2 weight 0.11000E+01 volume 0.29983E-02 ppm1 0.704 ppm2 -0.384 CV 1\par
 ASSI \{ 5413\}\par
   ( segid " " and resid 30 and name HD2% )\par
   (( segid " " and resid 30 and name HB2 ))\par
   2.900 1.000 1.000 peak 5413 spectrum 2 weight 0.11000E+01 volume 0.29699E-02 ppm1 0.698 ppm2 1.882 CV 1\par
 ASSI \{ 5428\}\par
   (( segid " " and resid 63 and name HB2 ))\par
   ( segid " " and resid 59 and name HG2% )\par
   2.700 0.900 0.900 peak 5428 spectrum 2 weight 0.11000E+01 volume 0.29510E-02 ppm1 4.209 ppm2 0.938 CV 1\par
 ASSI \{ 5429\}\par
   (( segid " " and resid 63 and name HB2 ))\par
   (( segid " " and resid 59 and name HA ))\par
   2.700 0.900 0.900 peak 5429 spectrum 2 weight 0.11000E+01 volume 0.44738E-02 ppm1 4.197 ppm2 4.254 CV 1\par
 ASSI \{ 5430\}\par
   (( segid " " and resid 63 and name HB2 ))\par
   (( segid " " and resid 96 and name HB2 ))\par
   2.800 2.800 3.200 peak 5430 spectrum 2 weight 0.11000E+01 volume 0.49372E-02 ppm1 4.190 ppm2 1.921 CV 1\par
 ASSI \{ 5433\}\par
   (( segid " " and resid 63 and name HB2 ))\par
   (( segid " " and resid 63 and name HB1 ))\par
   2.200 0.600 0.600 peak 5433 spectrum 2 weight 0.11000E+01 volume 0.26199E-02 ppm1 4.172 ppm2 3.942 CV 1\par
 ASSI \{ 5443\}\par
   (( segid " " and resid 63 and name HB1 ))\par
   (( segid " " and resid 63 and name HA ))\par
   2.600 0.800 0.800 peak 5443 spectrum 2 weight 0.11000E+01 volume 0.27712E-02 ppm1 3.941 ppm2 4.709 CV 1\par
 ASSI \{ 5445\}\par
   (( segid " " and resid 63 and name HB1 ))\par
   ( segid " " and resid 59 and name HG2% )\par
   2.700 0.900 0.900 peak 5445 spectrum 2 weight 0.11000E+01 volume 0.28186E-02 ppm1 3.939 ppm2 0.941 CV 1\par
 ASSI \{ 5578\}\par
   (( segid " " and resid 95 and name HB2 ))\par
   (( segid " " and resid 94 and name HA ))\par
   3.300 1.400 1.400 peak 5578 spectrum 2 weight 0.11000E+01 volume 0.45210E-02 ppm1 3.819 ppm2 4.852 CV 1\par
 ASSI \{ 5581\}\par
   (( segid " " and resid 95 and name HB2 ))\par
   (( segid " " and resid 96 and name HA ))\par
   3.400 3.400 2.600 peak 5581 spectrum 2 weight 0.11000E+01 volume 0.21659E-02 ppm1 3.802 ppm2 4.511 CV 1\par
 ASSI \{ 5612\}\par
   ( segid " " and resid 46 and name HG2% )\par
   (( segid " " and resid 77 and name HB1 ))\par
   3.300 1.300 1.300 peak 5612 spectrum 2 weight 0.11000E+01 volume 0.36887E-02 ppm1 0.815 ppm2 1.872 CV 1\par
 ASSI \{ 5968\}\par
   (( segid " " and resid 39 and name HA ))\par
   (( segid " " and resid 25 and name HA ))\par
   2.800 0.900 0.900 peak 5968 spectrum 2 weight 0.11000E+01 volume 0.26010E-02 ppm1 4.438 ppm2 4.955 CV 1\par
 ASSI \{ 5983\}\par
   (( segid " " and resid 90 and name HA ))\par
   (( segid " " and resid 90 and name HG21 ))\par
   2.500 0.800 0.800 peak 5983 spectrum 2 weight 0.11000E+01 volume 0.33198E-02 ppm1 4.282 ppm2 1.142 CV 1\par
 ASSI \{ 5984\}\par
   (( segid " " and resid 90 and name HA ))\par
   (( segid " " and resid 90 and name HG11 ))\par
   2.200 2.200 3.800 peak 5984 spectrum 2 weight 0.11000E+01 volume 0.41238E-02 ppm1 4.281 ppm2 0.867 CV 1\par
\par
!H-bond data\par
!\{ **** anti parallel B strands 1****  \}\par
assign (resid  24 and name  o )   (resid  40 and name hn)    2.2  0.4  0.0\par
assign (resid  24 and name  o )   (resid  40 and name n )    3.3  1.1  0.0\par
assign (resid  40 and name  o )   (resid  24 and name hn)    2.2  0.4  0.0\par
assign (resid  40 and name  o )   (resid  24 and name n )    3.3  1.1  0.0\par
!--------------------\par
assign (resid  26 and name  o )   (resid  38 and name hn)    2.2  0.4  0.0\par
assign (resid  26 and name  o )   (resid  38 and name n )    3.3  1.1  0.0\par
assign (resid  38 and name  o )   (resid  26 and name hn)    2.2  0.4  0.0\par
assign (resid  38 and name  o )   (resid  26 and name n )    3.3  1.1  0.0\par
!--------------------\par
assign (resid  28 and name  o )   (resid  36 and name hn)    2.2  0.4  0.0\par
assign (resid  28 and name  o )   (resid  36 and name n )    3.3  1.1  0.0\par
assign (resid  36 and name  o )   (resid  28 and name hn)    2.2  0.4  0.0\par
assign (resid  36 and name  o )   (resid  28 and name n )    3.3  1.1  0.0\par
!--------------------\par
assign (resid  30 and name  o )   (resid  34 and name hn)    2.2  0.4  0.0\par
assign (resid  30 and name  o )   (resid  34 and name n )    3.3  1.1  0.0\par
assign (resid  34 and name  o )   (resid  30 and name hn)    2.2  0.4  0.0\par
assign (resid  34 and name  o )   (resid  30 and name n )    3.3  1.1  0.0\par
!--------------------\par
\par
!\{ **** anti parallel B strands 2****  \}\par
assign (resid  65 and name  o )   (resid  93 and name hn)    2.2  0.4  0.0\par
assign (resid  65 and name  o )   (resid  93 and name n )    3.3  1.1  0.0\par
assign (resid  93 and name  o )   (resid  65 and name hn)    2.2  0.4  0.0\par
assign (resid  93 and name  o )   (resid  65 and name n )    3.3  1.1  0.0\par
!--------------------\par
assign (resid  67 and name  o )   (resid  91 and name hn)    2.2  0.4  0.0\par
assign (resid  67 and name  o )   (resid  91 and name n )    3.3  1.1  0.0\par
assign (resid  91 and name  o )   (resid  67 and name hn)    2.2  0.4  0.0\par
assign (resid  91 and name  o )   (resid  67 and name n )    3.3  1.1  0.0\par
!--------------------\par
\par
!\{ **** anti parallel B strands 3****  \}\par
assign (resid  66 and name  o )   (resid  73 and name hn)    2.2  0.4  0.0\par
assign (resid  66 and name  o )   (resid  73 and name n )    3.3  1.1  0.0\par
!--------------------\par
assign (resid  68 and name  o )   (resid  71 and name hn)    2.2  0.4  0.0\par
assign (resid  68 and name  o )   (resid  71 and name n )    3.3  1.1  0.0\par
assign (resid  71 and name  o )   (resid  68 and name hn)    2.2  0.4  0.0\par
assign (resid  71 and name  o )   (resid  68 and name n )    3.3  1.1  0.0\par
!--------------------\par
\par
!\{ **** parallel B strands ****  \}\par
assign (resid  88 and name  o )   (resid  27 and name hn)    2.2  0.4  0.0\par
assign (resid  88 and name  o )   (resid  27 and name n )    3.3  1.1  0.0\par
!--------------------\par
assign (resid  27 and name  o )   (resid  90 and name hn)    2.2  0.4  0.0\par
assign (resid  27 and name  o )   (resid  90 and name n )    3.3  1.1  0.0\par
\par
!--------------------\par
assign (resid  90 and name  o )   (resid  29 and name hn)    2.2  0.4  0.0\par
assign (resid  90 and name  o )   (resid  29 and name n )    3.3  1.1  0.0\par
!--------------------\par
assign (resid  29 and name  o )   (resid  92 and name hn)    2.2  0.4  0.0\par
assign (resid  29 and name  o )   (resid  92 and name n )    3.3  1.1  0.0\par
\par
\par
\par
\par
!\{ **** alpha helix 1(45-53)****  \}\par
assign (resid  45 and name  o )   (resid  49 and name hn)    2.2  0.4 0.0\par
assign (resid  45 and name  o )   (resid  49 and name n )    3.3  1.1 0.0\par
!--------------------\par
assign (resid  46 and name  o )   (resid  50 and name hn)    2.2  0.4 0.0\par
assign (resid  46 and name  o )   (resid  50 and name n )    3.3  1.1 0.0\par
!--------------------\par
assign (resid  47 and name  o )   (resid  51 and name hn)    2.2  0.4 0.0\par
assign (resid  47 and name  o )   (resid  51 and name n )    3.3  1.1 0.0\par
!--------------------\par
assign (resid  48 and name  o )   (resid  52 and name hn)    2.2  0.4 0.0\par
assign (resid  48 and name  o )   (resid  52 and name n )    3.3  1.1 0.0\par
!--------------------\par
assign (resid  49 and name  o )   (resid  53 and name hn)    2.2  0.4 0.0\par
assign (resid  49 and name  o )   (resid  53 and name n )    3.3  1.1 0.0\par
!--------------------\par
assign (resid  50 and name  o )   (resid  54 and name hn)    2.2  0.4 0.0\par
assign (resid  50 and name  o )   (resid  54 and name n )    3.3  1.1 0.0\par
!--------------------\par
assign (resid  51 and name  o )   (resid  55 and name hn)    2.2  0.4 0.0\par
assign (resid  51 and name  o )   (resid  55 and name n )    3.3  1.1 0.0\par
!--------------------\par
assign (resid  52 and name  o )   (resid  56 and name hn)    2.2  0.4 0.0\par
assign (resid  52 and name  o )   (resid  56 and name n )    3.3  1.1 0.0\par
!--------------------\par
\par
assign (resid  77 and name  o )   (resid  80 and name hn)    2.2  0.4 0.0\par
assign (resid  77 and name  o )   (resid  80 and name n )    3.3  1.1 0.0\par
assign (resid  78 and name  o )   (resid  82 and name hn)    2.2  0.4 0.0\par
assign (resid  78 and name  o )   (resid  82 and name n )    3.3  1.1 0.0\par
\par
assign (resid  41 and name  o )   (resid  44 and name hn)    2.2  0.4 0.0\par
assign (resid  41 and name  o )   (resid  44 and name n )    3.3  1.1 0.0\par
\par
\par
! dihedral restraints (based on TALOS and J-coupling information)\par
!\{******beta sheet 24->29**** \}\par
assign (resid  24 and name  n )   (resid  24 and name ca)\par
       (resid  24 and name  c )   (resid  25 and name n ) 1.0 120.0 50.0 2\par
assign (resid  24 and name  c )   (resid  25 and name n )\par
       (resid  25 and name  ca)   (resid  25 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  25 and name  n )   (resid  25 and name ca)\par
       (resid  25 and name  c )   (resid  26 and name n ) 1.0 120.0 50.0 2\par
assign (resid  25 and name  c )   (resid  26 and name n )\par
       (resid  26 and name  ca)   (resid  26 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  26 and name  n )   (resid  26 and name ca)\par
       (resid  26 and name  c )   (resid  27 and name n ) 1.0 120.0 50.0 2\par
assign (resid  26 and name  c )   (resid  27 and name n )\par
       (resid  27 and name  ca)   (resid  27 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  27 and name  n )   (resid  27 and name ca)\par
       (resid  27 and name  c )   (resid  28 and name n ) 1.0 120.0 50.0 2\par
assign (resid  27 and name  c )   (resid  28 and name n )\par
       (resid  28 and name  ca)   (resid  28 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  28 and name  n )   (resid  28 and name ca)\par
       (resid  28 and name  c )   (resid  29 and name n ) 1.0 120.0 50.0 2\par
assign (resid  28 and name  c )   (resid  29 and name n )\par
       (resid  29 and name  ca)   (resid  29 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  29 and name  n )   (resid  29 and name ca)\par
       (resid  29 and name  c )   (resid  30 and name n ) 1.0 120.0 50.0 2\par
assign (resid  29 and name  c )   (resid  30 and name n )\par
       (resid  30 and name  ca)   (resid  30 and name c ) 1.0 -120.0 50.0 2\par
\par
\par
!\{******beta sheet 34->40**** \}\par
assign (resid  34 and name  n )   (resid  34 and name ca)\par
       (resid  34 and name  c )   (resid  35 and name n ) 1.0 120.0 50.0 2\par
assign (resid  34 and name  c )   (resid  35 and name n )\par
       (resid  35 and name  ca)   (resid  35 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  35 and name  n )   (resid  35 and name ca)\par
       (resid  35 and name  c )   (resid  36 and name n ) 1.0 120.0 50.0 2\par
assign (resid  35 and name  c )   (resid  36 and name n )\par
       (resid  36 and name  ca)   (resid  36 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  36 and name  n )   (resid  36 and name ca)\par
       (resid  36 and name  c )   (resid  37 and name n ) 1.0 120.0 50.0 2\par
assign (resid  36 and name  c )   (resid  37 and name n )\par
       (resid  37 and name  ca)   (resid  37 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  37 and name  n )   (resid  37 and name ca)\par
       (resid  37 and name  c )   (resid  38 and name n ) 1.0 120.0 50.0 2\par
assign (resid  37 and name  c )   (resid  38 and name n )\par
       (resid  38 and name  ca)   (resid  38 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  38 and name  n )   (resid  38 and name ca)\par
       (resid  38 and name  c )   (resid  39 and name n ) 1.0 120.0 50.0 2\par
assign (resid  38 and name  c )   (resid  39 and name n )\par
       (resid  39 and name  ca)   (resid  39 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  39 and name  n )   (resid  39 and name ca)\par
       (resid  39 and name  c )   (resid  40 and name n ) 1.0 120.0 50.0 2\par
assign (resid  39 and name  c )   (resid  40 and name n )\par
       (resid  40 and name  ca)   (resid  40 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  40 and name  n )   (resid  40 and name ca)\par
       (resid  40 and name  c )   (resid  41 and name n ) 1.0 120.0 50.0 2\par
assign (resid  40 and name  c )   (resid  41 and name n )\par
       (resid  41 and name  ca)   (resid  41 and name c ) 1.0 -120.0 50.0 2\par
\par
\par
!\{******beta sheet 64->68**** \}\par
assign (resid  64 and name  n )   (resid  64 and name ca)\par
       (resid  64 and name  c )   (resid  65 and name n ) 1.0 120.0 50.0 2\par
assign (resid  64 and name  c )   (resid  65 and name n )\par
       (resid  65 and name  ca)   (resid  65 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  65 and name  n )   (resid  65 and name ca)\par
       (resid  65 and name  c )   (resid  66 and name n ) 1.0 120.0 50.0 2\par
assign (resid  65 and name  c )   (resid  66 and name n )\par
       (resid  66 and name  ca)   (resid  66 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  66 and name  n )   (resid  66 and name ca)\par
       (resid  66 and name  c )   (resid  67 and name n ) 1.0 120.0 50.0 2\par
assign (resid  66 and name  c )   (resid  67 and name n )\par
       (resid  67 and name  ca)   (resid  67 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  67 and name  n )   (resid  67 and name ca)\par
       (resid  67 and name  c )   (resid  68 and name n ) 1.0 120.0 50.0 2\par
assign (resid  67 and name  c )   (resid  68 and name n )\par
       (resid  68 and name  ca)   (resid  68 and name c ) 1.0 -120.0 50.0 2\par
\par
\par
!\{******beta sheet 71->73**** \}\par
assign (resid  71 and name  n )   (resid  71 and name ca)\par
       (resid  71 and name  c )   (resid  72 and name n ) 1.0 120.0 50.0 2\par
assign (resid  71 and name  c )   (resid  72 and name n )\par
       (resid  72 and name  ca)   (resid  72 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  72 and name  n )   (resid  72 and name ca)\par
       (resid  72 and name  c )   (resid  73 and name n ) 1.0 120.0 50.0 2\par
assign (resid  72 and name  c )   (resid  73 and name n )\par
       (resid  73 and name  ca)   (resid  73 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  73 and name  n )   (resid  73 and name ca)\par
       (resid  73 and name  c )   (resid  74 and name n ) 1.0 120.0 50.0 2\par
assign (resid  73 and name  c )   (resid  74 and name n )\par
       (resid  74 and name  ca)   (resid  74 and name c ) 1.0 -120.0 50.0 2\par
\par
\par
!\{******beta sheet 89->94**** \}\par
assign (resid  89 and name  n )   (resid  89 and name ca)\par
       (resid  89 and name  c )   (resid  90 and name n ) 1.0 120.0 50.0 2\par
assign (resid  89 and name  c )   (resid  90 and name n )\par
       (resid  90 and name  ca)   (resid  90 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  90 and name  n )   (resid  90 and name ca)\par
       (resid  90 and name  c )   (resid  91 and name n ) 1.0 120.0 50.0 2\par
assign (resid  90 and name  c )   (resid  91 and name n )\par
       (resid  91 and name  ca)   (resid  91 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  91 and name  n )   (resid  91 and name ca)\par
       (resid  91 and name  c )   (resid  92 and name n ) 1.0 120.0 50.0 2\par
assign (resid  91 and name  c )   (resid  92 and name n )\par
       (resid  92 and name  ca)   (resid  92 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  92 and name  n )   (resid  92 and name ca)\par
       (resid  92 and name  c )   (resid  93 and name n ) 1.0 120.0 50.0 2\par
assign (resid  92 and name  c )   (resid  93 and name n )\par
       (resid  93 and name  ca)   (resid  93 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  93 and name  n )   (resid  93 and name ca)\par
       (resid  93 and name  c )   (resid  94 and name n ) 1.0 120.0 50.0 2\par
assign (resid  93 and name  c )   (resid  94 and name n )\par
       (resid  94 and name  ca)   (resid  94 and name c ) 1.0 -120.0 50.0 2\par
assign (resid  94 and name  n )   (resid  94 and name ca)\par
       (resid  94 and name  c )   (resid  95 and name n ) 1.0 120.0 50.0 2\par
assign (resid  94 and name  c )   (resid  95 and name n )\par
       (resid  95 and name  ca)   (resid  95 and name c ) 1.0 -120.0 50.0 2\par
\par
\par
!\{ ********* helix 46-57 ******** \}\par
assign (resid  47 and name  n )   (resid  47 and name ca)\par
       (resid  47 and name  c )   (resid  48 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  47 and name  c )   (resid  48 and name n )\par
       (resid  48 and name  ca)   (resid  48 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  48 and name  n )   (resid  48 and name ca)\par
       (resid  48 and name  c )   (resid  49 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  48 and name  c )   (resid  49 and name n )\par
       (resid  49 and name  ca)   (resid  49 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  49 and name  n )   (resid  49 and name ca)\par
       (resid  49 and name  c )   (resid  50 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  49 and name  c )   (resid  50 and name n )\par
       (resid  50 and name  ca)   (resid  50 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  50 and name  n )   (resid  50 and name ca)\par
       (resid  50 and name  c )   (resid  51 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  50 and name  c )   (resid  51 and name n )\par
       (resid  51 and name  ca)   (resid  51 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  51 and name  n )   (resid  51 and name ca)\par
       (resid  51 and name  c )   (resid  52 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  51 and name  c )   (resid  52 and name n )\par
       (resid  52 and name  ca)   (resid  52 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  52 and name  n )   (resid  52 and name ca)\par
       (resid  52 and name  c )   (resid  53 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  52 and name  c )   (resid  53 and name n )\par
       (resid  53 and name  ca)   (resid  53 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  53 and name  n )   (resid  53 and name ca)\par
       (resid  53 and name  c )   (resid  54 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  53 and name  c )   (resid  54 and name n )\par
       (resid  54 and name  ca)   (resid  54 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  54 and name  n )   (resid  54 and name ca)\par
       (resid  54 and name  c )   (resid  55 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  54 and name  c )   (resid  55 and name n )\par
       (resid  55 and name  ca)   (resid  55 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  55 and name  n )   (resid  55 and name ca)\par
       (resid  55 and name  c )   (resid  56 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  55 and name  c )   (resid  56 and name n )\par
       (resid  56 and name  ca)   (resid  56 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  56 and name  n )   (resid  56 and name ca)\par
       (resid  56 and name  c )   (resid  57 and name n ) 1.0 -40.0 30.0 2\par
assign (resid  56 and name  c )   (resid  57 and name n )\par
       (resid  57 and name  ca)   (resid  57 and name c ) 1.0 -60.0 30.0 2\par
\par
!other region\par
assign (resid  78  and name c )   (resid  79  and name n )  \par
       (resid  79  and name ca )  (resid  79  and name c ) 1.0 -60.0 30.0 2\par
assign (resid  79 and name  n )   (resid  79 and name ca)\par
       (resid  79 and name  c )   (resid  80 and name n ) 1.0  -40.0 30.0 2\par
\par
assign (resid  79 and name  c )   (resid  80 and name n )\par
       (resid  80 and name  ca)   (resid  80 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  80 and name  n )   (resid  80 and name ca)\par
       (resid  80 and name  c )   (resid  81 and name n ) 1.0 -40.0 30.0 2\par
\par
assign (resid  80 and name  c )   (resid  81 and name n )\par
       (resid  81 and name  ca)   (resid  81 and name c ) 1.0 -60.0 30.0 2\par
assign (resid  81 and name  n )   (resid  81 and name ca)\par
       (resid  81 and name  c )   (resid  82 and name n ) 1.0 -40.0 30.0 2\par
\par
!based on J-coupling information only\par
\par
assign (resid  56 and name  c )   (resid  57 and name n )\par
       (resid  57 and name  ca)   (resid  57 and name c ) 1.0  -120.0 30.0 2\par
\par
assign (resid  58 and name  c )   (resid  59 and name n )\par
       (resid  59 and name  ca)   (resid  59 and name c ) 1.0  -120.0 30.0 2\par
\par
assign (resid  62  and name c ) (resid  63  and name n )  \par
       (resid  63  and name ca ) (resid  63  and name c ) 1.0  -70.0  30.0  2\par
\par
assign (resid  74  and name c ) (resid  75  and name n )  \par
       (resid  75  and name ca ) (resid  75  and name c )  1.0  -60.000  30.0  2\par
\par
assign (resid  76  and name c ) (resid  77  and name n )  \par
       (resid  77  and name ca ) (resid  77  and name c )  1.0  -60.000  30.0  2\par

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY  21           H        GLY  21 -15.921  -4.165  -4.829
    2   1HA   GLY  21          HA1       GLY  21 -14.470  -3.975  -2.916
    3   2HA   GLY  21          HA2       GLY  21 -14.693  -2.423  -3.709
    4    H    TYR  22           HN       TYR  22 -16.102  -4.413  -1.114
    5    HA   TYR  22           HA       TYR  22 -16.822  -1.950   0.308
    6   1HB   TYR  22          HB2       TYR  22 -18.588  -3.669  -0.049
    7   2HB   TYR  22          HB1       TYR  22 -17.640  -4.801   0.910
    8    HD1  TYR  22           HD1      TYR  22 -17.344  -4.420   3.337
    9    HD2  TYR  22           HD2      TYR  22 -19.887  -1.949   0.986
   10    HE1  TYR  22           HE1      TYR  22 -18.419  -3.587   5.386
   11    HE2  TYR  22           HE2      TYR  22 -20.968  -1.109   3.028
   12    HH   TYR  22           HH       TYR  22 -19.692  -1.617   6.128
   13    H    GLU  23           HN       GLU  23 -15.558  -5.181   1.153
   14    HA   GLU  23           HA       GLU  23 -13.934  -3.892   3.246
   15   1HB   GLU  23          HB2       GLU  23 -15.580  -5.498   4.104
   16   2HB   GLU  23          HB1       GLU  23 -14.910  -6.749   3.067
   17   1HG   GLU  23          HG2       GLU  23 -12.796  -6.630   4.271
   18   2HG   GLU  23          HG1       GLU  23 -13.451  -5.358   5.302
   19    H    CYS  24           HN       CYS  24 -12.054  -3.450   2.197
   20    HA   CYS  24           HA       CYS  24 -10.672  -5.717   0.917
   21   1HB   CYS  24          HB2       CYS  24 -10.264  -2.767   0.376
   22   2HB   CYS  24          HB1       CYS  24  -9.494  -4.099  -0.478
   23    HG   CYS  24           HG       CYS  24 -12.451  -2.690  -0.991
   24    H    GLN  25           HN       GLN  25  -8.730  -6.317   1.691
   25    HA   GLN  25           HA       GLN  25  -7.394  -4.581   3.653
   26   1HB   GLN  25          HB2       GLN  25  -8.617  -6.410   4.801
   27   2HB   GLN  25          HB1       GLN  25  -7.702  -7.584   3.865
   28   1HG   GLN  25          HG2       GLN  25  -5.632  -6.792   4.888
   29   2HG   GLN  25          HG1       GLN  25  -6.549  -5.613   5.825
   30   1HE2  GLN  25          HE21      GLN  25  -5.888  -6.471   7.782
   31   2HE2  GLN  25          HE22      GLN  25  -6.474  -7.983   8.378
   32    H    LEU  26           HN       LEU  26  -5.574  -3.976   2.704
   33    HA   LEU  26           HA       LEU  26  -4.132  -5.909   1.011
   34   1HB   LEU  26          HB2       LEU  26  -4.880  -3.782  -0.024
   35   2HB   LEU  26          HB1       LEU  26  -3.892  -2.910   1.126
   36    HG   LEU  26           HG       LEU  26  -2.949  -3.185  -1.209
   37   1HD1  LEU  26          HD11      LEU  26  -1.687  -2.635   0.932
   38   2HD1  LEU  26          HD12      LEU  26  -0.745  -3.248  -0.424
   39   3HD1  LEU  26          HD13      LEU  26  -1.162  -4.314   0.909
   40   1HD2  LEU  26          HD21      LEU  26  -2.579  -6.010  -0.226
   41   2HD2  LEU  26          HD22      LEU  26  -1.788  -5.323  -1.642
   42   3HD2  LEU  26          HD23      LEU  26  -3.542  -5.490  -1.607
   43    H    ARG  27           HN       ARG  27  -2.147  -6.618   1.527
   44    HA   ARG  27           HA       ARG  27  -1.001  -5.687   4.036
   45   1HB   ARG  27          HB2       ARG  27  -0.054  -7.926   2.243
   46   2HB   ARG  27          HB1       ARG  27   0.455  -7.622   3.897
   47   1HG   ARG  27          HG2       ARG  27  -1.912  -8.032   4.603
   48   2HG   ARG  27          HG1       ARG  27  -2.244  -8.547   2.950
   49   1HD   ARG  27          HD2       ARG  27  -1.787 -10.471   4.360
   50   2HD   ARG  27          HD1       ARG  27  -0.519 -10.276   3.152
   51    HE   ARG  27           HE       ARG  27   0.982  -9.716   4.831
   52   1HH1  ARG  27          HH11      ARG  27  -2.235 -10.085   6.145
   53   2HH1  ARG  27          HH12      ARG  27  -1.688 -10.161   7.785
   54   1HH2  ARG  27          HH21      ARG  27   1.696  -9.813   6.989
   55   2HH2  ARG  27          HH22      ARG  27   0.541 -10.005   8.265
   56    H    LEU  28           HN       LEU  28   0.736  -4.343   4.158
   57    HA   LEU  28           HA       LEU  28   2.041  -3.633   1.610
   58   1HB   LEU  28          HB2       LEU  28   1.965  -2.217   4.264
   59   2HB   LEU  28          HB1       LEU  28   2.845  -1.655   2.858
   60    HG   LEU  28           HG       LEU  28   0.760  -0.431   3.124
   61   1HD1  LEU  28          HD11      LEU  28  -0.135  -0.782   0.852
   62   2HD1  LEU  28          HD12      LEU  28   0.837  -2.248   0.726
   63   3HD1  LEU  28          HD13      LEU  28   1.625  -0.678   0.899
   64   1HD2  LEU  28          HD21      LEU  28  -1.389  -1.452   2.930
   65   2HD2  LEU  28          HD22      LEU  28  -0.507  -2.299   4.199
   66   3HD2  LEU  28          HD23      LEU  28  -0.673  -3.028   2.603
   67    H    ARG  29           HN       ARG  29   4.088  -4.237   1.241
   68    HA   ARG  29           HA       ARG  29   5.700  -5.199   3.505
   69   1HB   ARG  29          HB2       ARG  29   5.301  -6.770   1.611
   70   2HB   ARG  29          HB1       ARG  29   6.129  -5.646   0.542
   71   1HG   ARG  29          HG2       ARG  29   7.713  -7.286   1.080
   72   2HG   ARG  29          HG1       ARG  29   8.134  -5.888   2.072
   73   1HD   ARG  29          HD2       ARG  29   8.264  -7.921   3.388
   74   2HD   ARG  29          HD1       ARG  29   6.953  -6.898   3.973
   75    HE   ARG  29           HE       ARG  29   5.839  -8.654   2.144
   76   1HH1  ARG  29          HH11      ARG  29   7.488  -8.849   5.213
   77   2HH1  ARG  29          HH12      ARG  29   6.676 -10.300   5.698
   78   1HH2  ARG  29          HH21      ARG  29   4.773 -10.564   2.778
   79   2HH2  ARG  29          HH22      ARG  29   5.136 -11.274   4.316
   80    H    LEU  30           HN       LEU  30   6.552  -3.270   4.276
   81    HA   LEU  30           HA       LEU  30   7.949  -1.543   2.380
   82   1HB   LEU  30          HB2       LEU  30   8.041  -0.662   5.112
   83   2HB   LEU  30          HB1       LEU  30   7.451   0.187   3.703
   84    HG   LEU  30           HG       LEU  30   5.823  -1.797   5.279
   85   1HD1  LEU  30          HD11      LEU  30   4.739   0.033   6.326
   86   2HD1  LEU  30          HD12      LEU  30   5.606   1.197   5.327
   87   3HD1  LEU  30          HD13      LEU  30   6.472   0.264   6.546
   88   1HD2  LEU  30          HD21      LEU  30   5.146  -1.514   2.931
   89   2HD2  LEU  30          HD22      LEU  30   4.969   0.217   3.222
   90   3HD2  LEU  30          HD23      LEU  30   3.941  -0.928   4.075
   91    H    SER  31           HN       SER  31   9.949  -0.425   3.364
   92    HA   SER  31           HA       SER  31  12.181  -0.680   3.766
   93   1HB   SER  31          HB2       SER  31  11.081  -2.263   6.099
   94   2HB   SER  31          HB1       SER  31  12.723  -1.631   5.983
   95    HG   SER  31           HG       SER  31  10.375  -0.339   6.587
   96    H    THR  32           HN       THR  32  10.512  -3.090   2.532
   97    HA   THR  32           HA       THR  32  11.209  -4.871   1.258
   98    HB   THR  32           HB       THR  32  13.868  -4.881   2.686
   99    HG1  THR  32           HG1      THR  32  13.033  -3.329   0.447
  100   1HG2  THR  32          HG21      THR  32  13.473  -6.850   1.375
  101   2HG2  THR  32          HG22      THR  32  14.607  -5.832   0.489
  102   3HG2  THR  32          HG23      THR  32  12.911  -5.889   0.008
  103    H    GLY  33           HN       GLY  33  10.286  -4.673   4.199
  104   1HA   GLY  33          HA2       GLY  33   9.749  -7.391   4.601
  105   2HA   GLY  33          HA1       GLY  33  11.188  -6.999   5.543
  106    H    LYS  34           HN       LYS  34   8.578  -4.775   4.857
  107    HA   LYS  34           HA       LYS  34   7.881  -4.779   7.716
  108   1HB   LYS  34          HB2       LYS  34   9.034  -2.762   7.162
  109   2HB   LYS  34          HB1       LYS  34   8.087  -2.556   5.709
  110   1HG   LYS  34          HG2       LYS  34   7.521  -1.001   7.494
  111   2HG   LYS  34          HG1       LYS  34   6.157  -1.971   6.952
  112   1HD   LYS  34          HD2       LYS  34   7.652  -3.140   9.181
  113   2HD   LYS  34          HD1       LYS  34   6.857  -1.607   9.556
  114   1HE   LYS  34          HE2       LYS  34   4.817  -2.680   8.360
  115   2HE   LYS  34          HE1       LYS  34   5.655  -4.199   8.675
  116   1HZ   LYS  34          HZ1       LYS  34   4.869  -2.206  10.732
  117   2HZ   LYS  34          HZ2       LYS  34   5.683  -3.657  11.033
  118   3HZ   LYS  34          HZ3       LYS  34   4.098  -3.685  10.442
  119    H    ASP  35           HN       ASP  35   6.287  -6.400   7.212
  120    HA   ASP  35           HA       ASP  35   4.146  -5.698   5.405
  121   1HB   ASP  35          HB2       ASP  35   3.284  -7.945   5.895
  122   2HB   ASP  35          HB1       ASP  35   4.976  -7.999   5.395
  123    H    LEU  36           HN       LEU  36   2.686  -4.452   6.033
  124    HA   LEU  36           HA       LEU  36   1.223  -4.937   8.492
  125   1HB   LEU  36          HB2       LEU  36   2.951  -3.124   8.919
  126   2HB   LEU  36          HB1       LEU  36   2.109  -2.149   7.730
  127    HG   LEU  36           HG       LEU  36   0.175  -1.965   9.098
  128   1HD1  LEU  36          HD11      LEU  36  -0.006  -4.240   9.881
  129   2HD1  LEU  36          HD12      LEU  36  -0.024  -3.142  11.261
  130   3HD1  LEU  36          HD13      LEU  36   1.439  -4.048  10.874
  131   1HD2  LEU  36          HD21      LEU  36   1.070  -0.999  11.175
  132   2HD2  LEU  36          HD22      LEU  36   1.988  -0.493   9.758
  133   3HD2  LEU  36          HD23      LEU  36   2.635  -1.734  10.829
  134    H    LYS  37           HN       LYS  37  -0.703  -5.385   7.674
  135    HA   LYS  37           HA       LYS  37  -1.506  -4.231   5.160
  136   1HB   LYS  37          HB2       LYS  37  -3.162  -5.859   5.069
  137   2HB   LYS  37          HB1       LYS  37  -1.822  -6.654   5.866
  138   1HG   LYS  37          HG2       LYS  37  -4.082  -5.419   7.408
  139   2HG   LYS  37          HG1       LYS  37  -4.133  -7.076   6.811
  140   1HD   LYS  37          HD2       LYS  37  -3.206  -7.562   8.804
  141   2HD   LYS  37          HD1       LYS  37  -1.711  -7.054   8.019
  142   1HE   LYS  37          HE2       LYS  37  -1.985  -4.808   8.923
  143   2HE   LYS  37          HE1       LYS  37  -3.512  -5.279   9.664
  144   1HZ   LYS  37          HZ1       LYS  37  -2.304  -6.878  11.024
  145   2HZ   LYS  37          HZ2       LYS  37  -1.718  -5.311  11.269
  146   3HZ   LYS  37          HZ3       LYS  37  -0.841  -6.402  10.319
  147    H    LEU  38           HN       LEU  38  -2.925  -2.698   4.792
  148    HA   LEU  38           HA       LEU  38  -4.237  -1.441   7.098
  149   1HB   LEU  38          HB2       LEU  38  -2.923   0.187   5.996
  150   2HB   LEU  38          HB1       LEU  38  -3.367  -0.423   4.407
  151    HG   LEU  38           HG       LEU  38  -5.729   0.398   4.896
  152   1HD1  LEU  38          HD11      LEU  38  -4.273   1.879   7.082
  153   2HD1  LEU  38          HD12      LEU  38  -5.493   0.628   7.312
  154   3HD1  LEU  38          HD13      LEU  38  -5.936   2.163   6.567
  155   1HD2  LEU  38          HD21      LEU  38  -3.363   2.185   4.497
  156   2HD2  LEU  38          HD22      LEU  38  -5.003   2.830   4.503
  157   3HD2  LEU  38          HD23      LEU  38  -4.539   1.611   3.318
  158    H    VAL  39           HN       VAL  39  -6.430  -1.042   7.100
  159    HA   VAL  39           HA       VAL  39  -8.031  -2.708   5.368
  160    HB   VAL  39           HB       VAL  39  -9.944  -1.945   6.707
  161   1HG1  VAL  39          HG11      VAL  39  -7.559  -2.744   8.370
  162   2HG1  VAL  39          HG12      VAL  39  -8.645  -3.834   7.508
  163   3HG1  VAL  39          HG13      VAL  39  -9.246  -2.880   8.865
  164   1HG2  VAL  39          HG21      VAL  39  -9.417  -0.525   8.748
  165   2HG2  VAL  39          HG22      VAL  39  -9.466   0.310   7.197
  166   3HG2  VAL  39          HG23      VAL  39  -7.915  -0.093   7.932
  167    H    VAL  40           HN       VAL  40  -8.559  -2.016   3.403
  168    HA   VAL  40           HA       VAL  40  -9.140   0.845   3.032
  169    HB   VAL  40           HB       VAL  40  -8.319   0.613   0.715
  170   1HG1  VAL  40          HG11      VAL  40  -6.092   0.934   1.247
  171   2HG1  VAL  40          HG12      VAL  40  -6.108  -0.303   2.503
  172   3HG1  VAL  40          HG13      VAL  40  -6.891   1.252   2.785
  173   1HG2  VAL  40          HG21      VAL  40  -7.446  -2.123   1.621
  174   2HG2  VAL  40          HG22      VAL  40  -6.987  -1.354   0.103
  175   3HG2  VAL  40          HG23      VAL  40  -8.672  -1.763   0.404
  176    H    ARG  41           HN       ARG  41 -10.476   1.240   1.044
  177    HA   ARG  41           HA       ARG  41 -12.257  -0.909   0.286
  178   1HB   ARG  41          HB2       ARG  41 -13.278  -0.125   2.332
  179   2HB   ARG  41          HB1       ARG  41 -13.194   1.537   1.777
  180   1HG   ARG  41          HG2       ARG  41 -14.738  -0.478   0.205
  181   2HG   ARG  41          HG1       ARG  41 -15.436   0.225   1.663
  182   1HD   ARG  41          HD2       ARG  41 -14.816   2.491   0.614
  183   2HD   ARG  41          HD1       ARG  41 -14.637   1.585  -0.888
  184    HE   ARG  41           HE       ARG  41 -17.089   0.854   0.010
  185   1HH1  ARG  41          HH11      ARG  41 -15.563   3.931  -0.610
  186   2HH1  ARG  41          HH12      ARG  41 -17.046   4.723  -1.027
  187   1HH2  ARG  41          HH21      ARG  41 -19.039   1.893  -0.539
  188   2HH2  ARG  41          HH22      ARG  41 -19.019   3.566  -0.987
  189    H    SER  42           HN       SER  42 -11.851  -0.711  -1.807
  190    HA   SER  42           HA       SER  42 -11.410   0.235  -3.857
  191   1HB   SER  42          HB2       SER  42 -13.536   0.965  -4.866
  192   2HB   SER  42          HB1       SER  42 -13.722  -0.487  -3.883
  193    HG   SER  42           HG       SER  42 -15.315   0.709  -3.116
  194    H    THR  43           HN       THR  43 -12.990   2.795  -1.893
  195    HA   THR  43           HA       THR  43 -12.060   4.879  -3.591
  196    HB   THR  43           HB       THR  43 -12.785   6.405  -1.779
  197    HG1  THR  43           HG1      THR  43 -13.032   5.649   0.180
  198   1HG2  THR  43          HG21      THR  43 -14.412   5.625  -3.425
  199   2HG2  THR  43          HG22      THR  43 -15.168   5.815  -1.843
  200   3HG2  THR  43          HG23      THR  43 -14.751   4.206  -2.433
  201    H    ASP  44           HN       ASP  44 -10.535   2.998  -1.225
  202    HA   ASP  44           HA       ASP  44  -8.682   4.995  -0.318
  203   1HB   ASP  44          HB2       ASP  44  -9.163   2.109   0.175
  204   2HB   ASP  44          HB1       ASP  44  -7.534   2.713   0.478
  205    H    THR  45           HN       THR  45  -7.928   1.843  -1.792
  206    HA   THR  45           HA       THR  45  -6.347   1.198  -3.303
  207    HB   THR  45           HB       THR  45  -6.027   2.534  -5.284
  208    HG1  THR  45           HG1      THR  45  -5.819   4.594  -4.254
  209   1HG2  THR  45          HG21      THR  45  -8.707   2.171  -4.112
  210   2HG2  THR  45          HG22      THR  45  -8.042   1.562  -5.628
  211   3HG2  THR  45          HG23      THR  45  -8.620   3.226  -5.524
  212    H    VAL  46           HN       VAL  46  -4.169   1.449  -3.981
  213    HA   VAL  46           HA       VAL  46  -2.263   1.873  -2.257
  214    HB   VAL  46           HB       VAL  46  -2.277   2.311  -5.185
  215   1HG1  VAL  46          HG11      VAL  46   0.178   2.685  -5.155
  216   2HG1  VAL  46          HG12      VAL  46   0.065   2.977  -3.417
  217   3HG1  VAL  46          HG13      VAL  46  -0.762   4.049  -4.549
  218   1HG2  VAL  46          HG21      VAL  46  -2.192   0.065  -4.242
  219   2HG2  VAL  46          HG22      VAL  46  -0.732   0.480  -3.342
  220   3HG2  VAL  46          HG23      VAL  46  -0.701   0.437  -5.106
  221    H    PHE  47           HN       PHE  47  -3.890   4.588  -3.821
  222    HA   PHE  47           HA       PHE  47  -2.084   6.609  -2.962
  223   1HB   PHE  47          HB2       PHE  47  -3.708   7.039  -4.728
  224   2HB   PHE  47          HB1       PHE  47  -5.039   6.764  -3.613
  225    HD1  PHE  47           HD1      PHE  47  -2.180   9.005  -4.332
  226    HD2  PHE  47           HD2      PHE  47  -5.886   8.505  -2.303
  227    HE1  PHE  47           HE1      PHE  47  -2.188  11.400  -3.765
  228    HE2  PHE  47           HE2      PHE  47  -5.902  10.898  -1.732
  229    HZ   PHE  47           HZ       PHE  47  -4.050  12.349  -2.463
  230    H    HIS  48           HN       HIS  48  -5.401   6.077  -1.717
  231    HA   HIS  48           HA       HIS  48  -4.916   7.351   0.726
  232   1HB   HIS  48          HB2       HIS  48  -6.833   5.113   0.078
  233   2HB   HIS  48          HB1       HIS  48  -6.841   6.029   1.584
  234    HD1  HIS  48           HD1      HIS  48  -7.456   6.499  -2.116
  235    HD2  HIS  48           HD2      HIS  48  -8.164   8.434   1.493
  236    HE1  HIS  48           HE1      HIS  48  -8.976   8.424  -2.672
  237    HE2  HIS  48           HE2      HIS  48  -9.451   9.536  -0.461
  238    H    MET  49           HN       MET  49  -4.627   3.997  -0.301
  239    HA   MET  49           HA       MET  49  -3.814   2.692   1.931
  240   1HB   MET  49          HB2       MET  49  -3.884   1.805  -0.479
  241   2HB   MET  49          HB1       MET  49  -2.280   2.499  -0.650
  242   1HG   MET  49          HG2       MET  49  -1.998   0.202  -0.181
  243   2HG   MET  49          HG1       MET  49  -1.527   1.099   1.260
  244   1HE   MET  49          HE1       MET  49  -5.261  -1.517   0.748
  245   2HE   MET  49          HE2       MET  49  -3.973  -1.283  -0.432
  246   3HE   MET  49          HE3       MET  49  -5.134   0.008  -0.129
  247    H    LYS  50           HN       LYS  50  -1.893   4.662  -0.234
  248    HA   LYS  50           HA       LYS  50   0.522   4.621   1.210
  249   1HB   LYS  50          HB2       LYS  50   0.593   5.223  -1.104
  250   2HB   LYS  50          HB1       LYS  50  -0.587   6.500  -0.878
  251   1HG   LYS  50          HG2       LYS  50   1.216   7.521   0.698
  252   2HG   LYS  50          HG1       LYS  50   2.313   6.466  -0.196
  253   1HD   LYS  50          HD2       LYS  50   1.496   7.480  -2.304
  254   2HD   LYS  50          HD1       LYS  50   0.499   8.582  -1.354
  255   1HE   LYS  50          HE2       LYS  50   2.517   9.469  -0.282
  256   2HE   LYS  50          HE1       LYS  50   3.507   8.378  -1.250
  257   1HZ   LYS  50          HZ1       LYS  50   2.704   9.484  -3.246
  258   2HZ   LYS  50          HZ2       LYS  50   3.448  10.591  -2.205
  259   3HZ   LYS  50          HZ3       LYS  50   1.761  10.534  -2.312
  260    H    ARG  51           HN       ARG  51  -2.326   6.687   1.235
  261    HA   ARG  51           HA       ARG  51  -1.497   8.810   2.719
  262   1HB   ARG  51          HB2       ARG  51  -3.828   8.435   1.854
  263   2HB   ARG  51          HB1       ARG  51  -4.102   7.376   3.229
  264   1HG   ARG  51          HG2       ARG  51  -5.025   9.506   3.741
  265   2HG   ARG  51          HG1       ARG  51  -3.580   9.286   4.729
  266   1HD   ARG  51          HD2       ARG  51  -3.524  11.510   3.894
  267   2HD   ARG  51          HD1       ARG  51  -2.316  10.590   3.000
  268    HE   ARG  51           HE       ARG  51  -4.733  10.545   1.577
  269   1HH1  ARG  51          HH11      ARG  51  -2.196  12.765   2.477
  270   2HH1  ARG  51          HH12      ARG  51  -2.422  13.781   1.094
  271   1HH2  ARG  51          HH21      ARG  51  -5.033  11.882  -0.244
  272   2HH2  ARG  51          HH22      ARG  51  -4.032  13.280  -0.451
  273    H    ARG  52           HN       ARG  52  -2.184   5.549   3.708
  274    HA   ARG  52           HA       ARG  52  -1.685   6.097   6.506
  275   1HB   ARG  52          HB2       ARG  52  -2.282   3.523   5.051
  276   2HB   ARG  52          HB1       ARG  52  -2.104   3.667   6.794
  277   1HG   ARG  52          HG2       ARG  52  -4.204   5.010   5.105
  278   2HG   ARG  52          HG1       ARG  52  -4.444   3.633   6.177
  279   1HD   ARG  52          HD2       ARG  52  -3.766   5.025   8.088
  280   2HD   ARG  52          HD1       ARG  52  -3.584   6.402   7.002
  281    HE   ARG  52           HE       ARG  52  -6.175   5.371   6.721
  282   1HH1  ARG  52          HH11      ARG  52  -4.215   7.050   9.071
  283   2HH1  ARG  52          HH12      ARG  52  -5.565   7.832   9.823
  284   1HH2  ARG  52          HH21      ARG  52  -7.951   6.403   7.706
  285   2HH2  ARG  52          HH22      ARG  52  -7.686   7.465   9.048
  286    H    LEU  53           HN       LEU  53  -0.038   4.720   3.711
  287    HA   LEU  53           HA       LEU  53   2.051   3.392   4.932
  288   1HB   LEU  53          HB2       LEU  53   1.826   4.961   2.411
  289   2HB   LEU  53          HB1       LEU  53   3.433   4.531   2.960
  290    HG   LEU  53           HG       LEU  53   2.910   2.176   2.857
  291   1HD1  LEU  53          HD11      LEU  53   0.448   2.598   3.498
  292   2HD1  LEU  53          HD12      LEU  53   0.825   1.269   2.404
  293   3HD1  LEU  53          HD13      LEU  53   0.196   2.780   1.762
  294   1HD2  LEU  53          HD21      LEU  53   3.682   3.139   0.800
  295   2HD2  LEU  53          HD22      LEU  53   2.055   3.683   0.393
  296   3HD2  LEU  53          HD23      LEU  53   2.423   1.960   0.432
  297    H    HIS  54           HN       HIS  54   1.433   6.811   4.661
  298    HA   HIS  54           HA       HIS  54   3.931   7.495   5.963
  299   1HB   HIS  54          HB2       HIS  54   3.456   9.737   5.454
  300   2HB   HIS  54          HB1       HIS  54   2.849   8.848   4.067
  301    HD1  HIS  54           HD1      HIS  54   1.368  10.091   7.359
  302    HD2  HIS  54           HD2      HIS  54   0.443   9.785   3.320
  303    HE1  HIS  54           HE1      HIS  54  -0.900  11.141   7.109
  304    HE2  HIS  54           HE2      HIS  54  -1.379  11.062   4.639
  305    H    ALA  55           HN       ALA  55   0.457   7.425   6.610
  306    HA   ALA  55           HA       ALA  55   0.732   8.536   9.248
  307   1HB   ALA  55          HB1       ALA  55  -1.651   7.043   8.192
  308   2HB   ALA  55          HB2       ALA  55  -1.307   8.721   7.776
  309   3HB   ALA  55          HB3       ALA  55  -1.603   8.271   9.455
  310    H    ALA  56           HN       ALA  56  -0.405   5.294   8.191
  311    HA   ALA  56           HA       ALA  56  -0.223   4.181  10.782
  312   1HB   ALA  56          HB1       ALA  56  -0.303   2.764   8.125
  313   2HB   ALA  56          HB2       ALA  56  -1.707   3.307   9.044
  314   3HB   ALA  56          HB3       ALA  56  -0.654   2.054   9.701
  315    H    GLU  57           HN       GLU  57   1.962   3.967   7.966
  316    HA   GLU  57           HA       GLU  57   3.829   2.383   9.539
  317   1HB   GLU  57          HB2       GLU  57   4.392   3.372   6.766
  318   2HB   GLU  57          HB1       GLU  57   4.974   1.919   7.560
  319   1HG   GLU  57          HG2       GLU  57   2.168   2.418   6.598
  320   2HG   GLU  57          HG1       GLU  57   3.366   1.373   5.838
  321    H    GLY  58           HN       GLY  58   3.913   5.493   7.757
  322   1HA   GLY  58          HA2       GLY  58   4.889   7.351   9.139
  323   2HA   GLY  58          HA1       GLY  58   6.198   6.229   9.492
  324    H    VAL  59           HN       VAL  59   5.301   5.718   6.332
  325    HA   VAL  59           HA       VAL  59   7.604   7.202   5.370
  326    HB   VAL  59           HB       VAL  59   5.746   5.327   3.893
  327   1HG1  VAL  59          HG11      VAL  59   7.246   7.109   2.666
  328   2HG1  VAL  59          HG12      VAL  59   7.107   5.460   2.063
  329   3HG1  VAL  59          HG13      VAL  59   8.518   5.936   3.006
  330   1HG2  VAL  59          HG21      VAL  59   8.469   4.812   5.084
  331   2HG2  VAL  59          HG22      VAL  59   7.509   3.665   4.149
  332   3HG2  VAL  59          HG23      VAL  59   6.935   4.218   5.722
  333    H    GLU  60           HN       GLU  60   6.871   9.338   5.459
  334    HA   GLU  60           HA       GLU  60   4.555  10.030   3.831
  335   1HB   GLU  60          HB2       GLU  60   4.534  12.163   4.899
  336   2HB   GLU  60          HB1       GLU  60   4.740  10.940   6.141
  337   1HG   GLU  60          HG2       GLU  60   7.012  11.482   6.438
  338   2HG   GLU  60          HG1       GLU  60   7.047  12.460   4.971
  339    HA   PRO  61           HA       PRO  61   8.118  12.688   1.847
  340   1HB   PRO  61          HB2       PRO  61  10.457  10.934   2.090
  341   2HB   PRO  61          HB1       PRO  61  10.305  12.652   2.462
  342   1HG   PRO  61          HG2       PRO  61  10.590  10.794   4.388
  343   2HG   PRO  61          HG1       PRO  61   9.620  12.260   4.626
  344   1HD   PRO  61          HD2       PRO  61   8.717   9.473   3.990
  345   2HD   PRO  61          HD1       PRO  61   8.041  10.641   5.138
  346    H    GLY  62           HN       GLY  62  10.181  11.548   0.190
  347   1HA   GLY  62          HA2       GLY  62   8.517  10.318  -1.806
  348   2HA   GLY  62          HA1       GLY  62  10.228  10.688  -1.957
  349    H    SER  63           HN       SER  63   9.494   8.920   0.841
  350    HA   SER  63           HA       SER  63  10.817   6.571  -0.191
  351   1HB   SER  63          HB2       SER  63   9.818   7.377   2.538
  352   2HB   SER  63          HB1       SER  63  10.530   5.804   2.209
  353    HG   SER  63           HG       SER  63  12.393   6.996   1.412
  354    H    GLN  64           HN       GLN  64   7.898   7.422  -0.862
  355    HA   GLN  64           HA       GLN  64   6.589   4.928  -0.032
  356   1HB   GLN  64          HB2       GLN  64   5.281   7.393  -1.183
  357   2HB   GLN  64          HB1       GLN  64   4.487   6.023  -0.417
  358   1HG   GLN  64          HG2       GLN  64   5.338   6.620   1.718
  359   2HG   GLN  64          HG1       GLN  64   6.405   7.836   1.018
  360   1HE2  GLN  64          HE21      GLN  64   3.167   7.057   1.958
  361   2HE2  GLN  64          HE22      GLN  64   2.514   8.649   1.799
  362    H    ARG  65           HN       ARG  65   8.033   3.974  -1.807
  363    HA   ARG  65           HA       ARG  65   6.948   4.443  -4.486
  364   1HB   ARG  65          HB2       ARG  65   9.212   2.638  -3.626
  365   2HB   ARG  65          HB1       ARG  65   8.777   3.037  -5.279
  366   1HG   ARG  65          HG2       ARG  65   9.287   5.416  -4.781
  367   2HG   ARG  65          HG1       ARG  65   9.868   4.910  -3.193
  368   1HD   ARG  65          HD2       ARG  65  11.542   3.484  -4.259
  369   2HD   ARG  65          HD1       ARG  65  10.953   3.970  -5.847
  370    HE   ARG  65           HE       ARG  65  11.606   6.306  -4.548
  371   1HH1  ARG  65          HH11      ARG  65  13.281   3.392  -5.488
  372   2HH1  ARG  65          HH12      ARG  65  14.809   4.183  -5.680
  373   1HH2  ARG  65          HH21      ARG  65  13.615   7.349  -4.803
  374   2HH2  ARG  65          HH22      ARG  65  15.000   6.429  -5.291
  375    H    TRP  66           HN       TRP  66   5.023   3.457  -4.689
  376    HA   TRP  66           HA       TRP  66   4.366   0.967  -3.456
  377   1HB   TRP  66          HB2       TRP  66   2.781   1.900  -5.792
  378   2HB   TRP  66          HB1       TRP  66   2.237   1.308  -4.227
  379    HD1  TRP  66           HD1      TRP  66   2.478   3.157  -2.140
  380    HE1  TRP  66           HE1      TRP  66   2.118   5.702  -2.211
  381    HE3  TRP  66           HE3      TRP  66   2.931   3.903  -7.176
  382    HZ2  TRP  66           HZ2      TRP  66   2.031   7.759  -4.149
  383    HZ3  TRP  66           HZ3      TRP  66   2.694   6.187  -8.058
  384    HH2  TRP  66           HH2      TRP  66   2.253   8.074  -6.574
  385    H    PHE  67           HN       PHE  67   4.569  -1.059  -4.185
  386    HA   PHE  67           HA       PHE  67   4.913  -1.590  -7.019
  387   1HB   PHE  67          HB2       PHE  67   7.074  -1.979  -4.987
  388   2HB   PHE  67          HB1       PHE  67   6.948  -3.094  -6.341
  389    HD1  PHE  67           HD1      PHE  67   7.367   0.484  -5.475
  390    HD2  PHE  67           HD2      PHE  67   7.750  -2.526  -8.459
  391    HE1  PHE  67           HE1      PHE  67   8.600   2.061  -6.907
  392    HE2  PHE  67           HE2      PHE  67   8.984  -0.954  -9.893
  393    HZ   PHE  67           HZ       PHE  67   9.411   1.343  -9.117
  394    H    PHE  68           HN       PHE  68   3.904  -3.406  -7.575
  395    HA   PHE  68           HA       PHE  68   3.480  -5.479  -5.532
  396   1HB   PHE  68          HB2       PHE  68   1.403  -4.207  -5.814
  397   2HB   PHE  68          HB1       PHE  68   1.456  -4.498  -7.550
  398    HD1  PHE  68           HD1      PHE  68   0.390  -6.346  -8.450
  399    HD2  PHE  68           HD2      PHE  68   1.292  -6.281  -4.292
  400    HE1  PHE  68           HE1      PHE  68  -0.886  -8.428  -8.144
  401    HE2  PHE  68           HE2      PHE  68   0.018  -8.362  -3.978
  402    HZ   PHE  68           HZ       PHE  68  -1.073  -9.439  -5.906
  403    H    SER  69           HN       SER  69   4.226  -7.390  -6.148
  404    HA   SER  69           HA       SER  69   4.887  -9.155  -7.417
  405   1HB   SER  69          HB2       SER  69   3.257  -7.851  -9.610
  406   2HB   SER  69          HB1       SER  69   3.861  -9.507  -9.616
  407    HG   SER  69           HG       SER  69   1.588  -8.667  -8.643
  408    H    GLY  70           HN       GLY  70   6.002  -6.150  -7.760
  409   1HA   GLY  70          HA2       GLY  70   8.315  -5.882  -8.419
  410   2HA   GLY  70          HA1       GLY  70   8.015  -7.010  -9.738
  411    H    ARG  71           HN       ARG  71   5.439  -4.861  -9.374
  412    HA   ARG  71           HA       ARG  71   6.582  -3.014 -11.362
  413   1HB   ARG  71          HB2       ARG  71   3.802  -4.205 -11.381
  414   2HB   ARG  71          HB1       ARG  71   4.375  -2.961 -12.483
  415   1HG   ARG  71          HG2       ARG  71   5.428  -5.773 -12.265
  416   2HG   ARG  71          HG1       ARG  71   4.416  -5.125 -13.557
  417   1HD   ARG  71          HD2       ARG  71   7.213  -4.238 -12.858
  418   2HD   ARG  71          HD1       ARG  71   6.745  -5.211 -14.252
  419    HE   ARG  71           HE       ARG  71   5.258  -2.932 -14.475
  420   1HH1  ARG  71          HH11      ARG  71   8.666  -3.627 -14.201
  421   2HH1  ARG  71          HH12      ARG  71   9.151  -2.238 -15.115
  422   1HH2  ARG  71          HH21      ARG  71   5.893  -1.102 -15.674
  423   2HH2  ARG  71          HH22      ARG  71   7.576  -0.804 -15.950
  424    HA   PRO  72           HA       PRO  72   5.157   0.178  -8.672
  425   1HB   PRO  72          HB2       PRO  72   4.814   2.212 -10.439
  426   2HB   PRO  72          HB1       PRO  72   6.406   1.646  -9.922
  427   1HG   PRO  72          HG2       PRO  72   4.889   1.013 -12.424
  428   2HG   PRO  72          HG1       PRO  72   6.611   1.387 -12.224
  429   1HD   PRO  72          HD2       PRO  72   5.694  -1.145 -12.513
  430   2HD   PRO  72          HD1       PRO  72   7.125  -0.754 -11.538
  431    H    LEU  73           HN       LEU  73   3.205   0.312  -7.757
  432    HA   LEU  73           HA       LEU  73   0.824  -0.135  -9.343
  433   1HB   LEU  73          HB2       LEU  73   1.344   0.235  -6.413
  434   2HB   LEU  73          HB1       LEU  73  -0.288   0.238  -7.045
  435   1HD1  LEU  73          HD21      LEU  73  -1.261  -1.798  -6.226
  436   2HD1  LEU  73          HD22      LEU  73   0.062  -1.638  -5.074
  437   3HD1  LEU  73          HD23      LEU  73  -0.211  -3.174  -5.893
  438   1HD2  LEU  73          HD11      LEU  73   0.042  -3.335  -8.296
  439   2HD2  LEU  73          HD12      LEU  73   1.013  -2.155  -9.175
  440   3HD2  LEU  73          HD13      LEU  73  -0.667  -1.796  -8.780
  441    H    THR  74           HN       THR  74  -1.095   1.235  -9.131
  442    HA   THR  74           HA       THR  74  -0.362   4.083  -9.185
  443    HB   THR  74           HB       THR  74  -2.175   4.488 -10.678
  444    HG1  THR  74           HG1      THR  74  -3.872   3.264 -10.342
  445   1HG2  THR  74          HG21      THR  74  -0.776   1.940 -11.501
  446   2HG2  THR  74          HG22      THR  74  -0.170   3.580 -11.734
  447   3HG2  THR  74          HG23      THR  74  -1.619   3.046 -12.586
  448    H    ASP  75           HN       ASP  75  -2.708   5.315  -8.947
  449    HA   ASP  75           HA       ASP  75  -3.384   4.872  -6.159
  450   1HB   ASP  75          HB2       ASP  75  -4.581   7.070  -6.419
  451   2HB   ASP  75          HB1       ASP  75  -2.849   7.133  -6.737
  452    H    LYS  76           HN       LYS  76  -4.430   3.122  -8.372
  453    HA   LYS  76           HA       LYS  76  -7.219   3.203  -7.543
  454   1HB   LYS  76          HB2       LYS  76  -6.266   3.436 -10.390
  455   2HB   LYS  76          HB1       LYS  76  -7.871   2.826 -10.000
  456   1HG   LYS  76          HG2       LYS  76  -7.033   5.441  -8.858
  457   2HG   LYS  76          HG1       LYS  76  -7.453   5.360 -10.568
  458   1HD   LYS  76          HD2       LYS  76  -9.393   5.974  -9.231
  459   2HD   LYS  76          HD1       LYS  76  -9.630   4.397  -9.984
  460   1HE   LYS  76          HE2       LYS  76  -9.127   3.278  -7.917
  461   2HE   LYS  76          HE1       LYS  76  -8.684   4.802  -7.150
  462   1HZ   LYS  76          HZ1       LYS  76 -10.900   4.112  -6.505
  463   2HZ   LYS  76          HZ2       LYS  76 -11.395   4.070  -8.122
  464   3HZ   LYS  76          HZ3       LYS  76 -10.976   5.543  -7.404
  465    H    MET  77           HN       MET  77  -4.956   1.461  -7.028
  466    HA   MET  77           HA       MET  77  -5.378  -0.912  -8.602
  467   1HB   MET  77          HB2       MET  77  -3.699  -0.452  -6.144
  468   2HB   MET  77          HB1       MET  77  -3.698  -1.927  -7.099
  469   1HG   MET  77          HG2       MET  77  -2.819   0.809  -7.999
  470   2HG   MET  77          HG1       MET  77  -1.797  -0.586  -7.669
  471   1HE   MET  77          HE1       MET  77  -5.153  -0.322 -10.408
  472   2HE   MET  77          HE2       MET  77  -3.989   0.633 -11.326
  473   3HE   MET  77          HE3       MET  77  -4.374   1.073  -9.663
  474    H    LYS  78           HN       LYS  78  -6.320   0.131  -5.334
  475    HA   LYS  78           HA       LYS  78  -7.003  -2.381  -4.351
  476   1HB   LYS  78          HB2       LYS  78  -7.846   0.370  -3.662
  477   2HB   LYS  78          HB1       LYS  78  -8.802  -0.958  -3.038
  478   1HG   LYS  78          HG2       LYS  78  -6.961  -0.099  -1.536
  479   2HG   LYS  78          HG1       LYS  78  -7.014  -1.839  -1.809
  480   1HD   LYS  78          HD2       LYS  78  -5.345  -0.397  -3.732
  481   2HD   LYS  78          HD1       LYS  78  -4.793  -0.251  -2.066
  482   1HE   LYS  78          HE2       LYS  78  -4.823  -2.694  -1.853
  483   2HE   LYS  78          HE1       LYS  78  -5.353  -2.828  -3.528
  484   1HZ   LYS  78          HZ1       LYS  78  -2.979  -3.175  -3.337
  485   2HZ   LYS  78          HZ2       LYS  78  -2.782  -1.659  -2.613
  486   3HZ   LYS  78          HZ3       LYS  78  -3.292  -1.767  -4.222
  487    H    PHE  79           HN       PHE  79  -9.337   0.042  -5.506
  488    HA   PHE  79           HA       PHE  79 -11.464  -1.760  -5.702
  489   1HB   PHE  79          HB2       PHE  79 -11.731   0.703  -5.631
  490   2HB   PHE  79          HB1       PHE  79 -11.065   0.810  -7.253
  491    HD1  PHE  79           HD1      PHE  79 -13.635  -1.375  -5.653
  492    HD2  PHE  79           HD2      PHE  79 -12.683   1.359  -8.772
  493    HE1  PHE  79           HE1      PHE  79 -15.890  -1.668  -6.593
  494    HE2  PHE  79           HE2      PHE  79 -14.937   1.071  -9.718
  495    HZ   PHE  79           HZ       PHE  79 -16.543  -0.444  -8.628
  496    H    GLU  80           HN       GLU  80  -8.712  -1.455  -7.719
  497    HA   GLU  80           HA       GLU  80 -10.108  -2.419 -10.092
  498   1HB   GLU  80          HB2       GLU  80  -7.349  -1.412  -9.550
  499   2HB   GLU  80          HB1       GLU  80  -7.627  -2.425 -10.960
  500   1HG   GLU  80          HG2       GLU  80  -9.408  -0.833 -11.666
  501   2HG   GLU  80          HG1       GLU  80  -8.925   0.215 -10.334
  502    H    GLU  81           HN       GLU  81  -8.333  -3.676  -7.439
  503    HA   GLU  81           HA       GLU  81  -7.680  -6.148  -8.846
  504   1HB   GLU  81          HB2       GLU  81  -6.050  -4.995  -7.252
  505   2HB   GLU  81          HB1       GLU  81  -7.118  -5.503  -5.951
  506   1HG   GLU  81          HG2       GLU  81  -5.264  -7.038  -6.191
  507   2HG   GLU  81          HG1       GLU  81  -6.785  -7.836  -6.583
  508    H    LEU  82           HN       LEU  82  -9.056  -5.299  -5.704
  509    HA   LEU  82           HA       LEU  82 -10.868  -6.016  -4.565
  510   1HB   LEU  82          HB2       LEU  82 -11.727  -7.368  -7.119
  511   2HB   LEU  82          HB1       LEU  82 -12.713  -7.036  -5.722
  512    HG   LEU  82           HG       LEU  82 -13.393  -5.388  -7.166
  513   1HD1  LEU  82          HD11      LEU  82 -12.656  -4.423  -5.018
  514   2HD1  LEU  82          HD12      LEU  82 -12.555  -3.284  -6.360
  515   3HD1  LEU  82          HD13      LEU  82 -11.093  -4.057  -5.749
  516   1HD2  LEU  82          HD21      LEU  82 -10.630  -4.630  -7.981
  517   2HD2  LEU  82          HD22      LEU  82 -12.153  -4.389  -8.834
  518   3HD2  LEU  82          HD23      LEU  82 -11.435  -5.997  -8.744
  519    H    LYS  83           HN       LYS  83  -8.573  -8.029  -5.905
  520    HA   LYS  83           HA       LYS  83  -9.609 -10.403  -4.543
  521   1HB   LYS  83          HB2       LYS  83  -7.222 -10.346  -6.362
  522   2HB   LYS  83          HB1       LYS  83  -8.211 -11.723  -5.917
  523   1HG   LYS  83          HG2       LYS  83  -9.308  -9.442  -7.520
  524   2HG   LYS  83          HG1       LYS  83  -8.450 -10.787  -8.275
  525   1HD   LYS  83          HD2       LYS  83 -10.634 -11.509  -8.409
  526   2HD   LYS  83          HD1       LYS  83 -10.121 -12.241  -6.886
  527   1HE   LYS  83          HE2       LYS  83 -11.041 -10.203  -5.740
  528   2HE   LYS  83          HE1       LYS  83 -11.760  -9.751  -7.282
  529   1HZ   LYS  83          HZ1       LYS  83 -12.986 -11.834  -7.279
  530   2HZ   LYS  83          HZ2       LYS  83 -13.335 -10.937  -5.889
  531   3HZ   LYS  83          HZ3       LYS  83 -12.296 -12.268  -5.796
  532    H    ILE  84           HN       ILE  84  -8.358  -8.071  -3.236
  533    HA   ILE  84           HA       ILE  84  -5.933  -9.320  -2.165
  534    HB   ILE  84           HB       ILE  84  -5.290  -7.079  -1.382
  535   1HG1  ILE  84          HG12      ILE  84  -7.850  -6.231  -2.760
  536   2HG1  ILE  84          HG11      ILE  84  -7.465  -6.062  -1.052
  537   1HG2  ILE  84          HG21      ILE  84  -5.773  -6.346  -4.135
  538   2HG2  ILE  84          HG22      ILE  84  -5.283  -8.033  -3.997
  539   3HG2  ILE  84          HG23      ILE  84  -4.260  -6.762  -3.329
  540   1HD1  ILE  84          HD11      ILE  84  -7.253  -3.935  -2.110
  541   2HD1  ILE  84          HD12      ILE  84  -6.189  -4.604  -3.347
  542   3HD1  ILE  84          HD13      ILE  84  -5.642  -4.506  -1.674
  543    HA   PRO  85           HA       PRO  85  -9.203  -9.381   1.226
  544   1HB   PRO  85          HB2       PRO  85  -9.112 -12.039   1.735
  545   2HB   PRO  85          HB1       PRO  85 -10.177 -11.344   0.506
  546   1HG   PRO  85          HG2       PRO  85  -7.506 -12.661   0.171
  547   2HG   PRO  85          HG1       PRO  85  -8.986 -12.878  -0.783
  548   1HD   PRO  85          HD2       PRO  85  -6.951 -11.304  -1.614
  549   2HD   PRO  85          HD1       PRO  85  -8.649 -10.939  -1.983
  550    H    LYS  86           HN       LYS  86  -6.065 -10.881   0.788
  551    HA   LYS  86           HA       LYS  86  -4.897  -9.770   3.051
  552   1HB   LYS  86          HB2       LYS  86  -4.673 -11.774   4.503
  553   2HB   LYS  86          HB1       LYS  86  -6.323 -11.181   4.394
  554   1HG   LYS  86          HG2       LYS  86  -6.719 -13.398   4.140
  555   2HG   LYS  86          HG1       LYS  86  -6.453 -12.970   2.450
  556   1HD   LYS  86          HD2       LYS  86  -5.090 -14.809   2.647
  557   2HD   LYS  86          HD1       LYS  86  -3.952 -13.517   3.028
  558   1HE   LYS  86          HE2       LYS  86  -5.450 -15.220   5.016
  559   2HE   LYS  86          HE1       LYS  86  -3.740 -15.356   4.610
  560   1HZ   LYS  86          HZ1       LYS  86  -3.460 -13.058   5.431
  561   2HZ   LYS  86          HZ2       LYS  86  -3.964 -14.135   6.634
  562   3HZ   LYS  86          HZ3       LYS  86  -5.074 -13.063   5.942
  563    H    ASP  87           HN       ASP  87  -4.999 -12.509   0.850
  564    HA   ASP  87           HA       ASP  87  -2.312 -13.297   1.060
  565   1HB   ASP  87          HB2       ASP  87  -4.047 -14.681  -0.002
  566   2HB   ASP  87          HB1       ASP  87  -4.164 -13.521  -1.322
  567    H    TYR  88           HN       TYR  88  -3.884 -10.848  -0.941
  568    HA   TYR  88           HA       TYR  88  -1.550 -10.314  -2.502
  569   1HB   TYR  88          HB2       TYR  88  -4.187  -8.901  -2.165
  570   2HB   TYR  88          HB1       TYR  88  -2.880  -8.197  -3.115
  571    HD1  TYR  88           HD1      TYR  88  -3.301  -8.417  -5.371
  572    HD2  TYR  88           HD2      TYR  88  -4.246 -11.666  -2.793
  573    HE1  TYR  88           HE1      TYR  88  -3.976  -9.758  -7.318
  574    HE2  TYR  88           HE2      TYR  88  -4.925 -13.015  -4.732
  575    HH   TYR  88           HH       TYR  88  -4.215 -12.131  -7.926
  576    H    VAL  89           HN       VAL  89   0.107  -9.045  -2.103
  577    HA   VAL  89           HA       VAL  89  -0.084  -7.057   0.045
  578    HB   VAL  89           HB       VAL  89   0.934  -9.056   1.009
  579   1HG1  VAL  89          HG11      VAL  89   1.814  -9.969  -1.120
  580   2HG1  VAL  89          HG12      VAL  89   2.987  -9.994   0.196
  581   3HG1  VAL  89          HG13      VAL  89   3.101  -8.765  -1.063
  582   1HG2  VAL  89          HG21      VAL  89   2.587  -6.602   0.632
  583   2HG2  VAL  89          HG22      VAL  89   3.282  -7.982   1.480
  584   3HG2  VAL  89          HG23      VAL  89   1.810  -7.226   2.087
  585    H    VAL  90           HN       VAL  90   0.523  -5.125  -0.688
  586    HA   VAL  90           HA       VAL  90   2.133  -4.943  -3.108
  587    HB   VAL  90           HB       VAL  90   0.917  -2.671  -1.518
  588   1HG1  VAL  90          HG11      VAL  90   1.902  -2.792  -4.371
  589   2HG1  VAL  90          HG12      VAL  90   2.766  -2.057  -3.020
  590   3HG1  VAL  90          HG13      VAL  90   1.226  -1.384  -3.549
  591   1HG2  VAL  90          HG21      VAL  90  -0.254  -4.557  -3.471
  592   2HG2  VAL  90          HG22      VAL  90  -0.636  -2.852  -3.704
  593   3HG2  VAL  90          HG23      VAL  90  -1.022  -3.638  -2.179
  594    H    GLN  91           HN       GLN  91   4.243  -4.677  -3.079
  595    HA   GLN  91           HA       GLN  91   5.554  -4.111  -0.560
  596   1HB   GLN  91          HB2       GLN  91   6.379  -5.965  -1.930
  597   2HB   GLN  91          HB1       GLN  91   6.697  -4.857  -3.256
  598   1HG   GLN  91          HG2       GLN  91   7.978  -4.262  -0.658
  599   2HG   GLN  91          HG1       GLN  91   8.578  -5.653  -1.560
  600   1HE2  GLN  91          HE21      GLN  91  10.561  -4.660  -1.923
  601   2HE2  GLN  91          HE22      GLN  91  10.751  -3.370  -3.056
  602    H    VAL  92           HN       VAL  92   6.392  -2.218  -0.013
  603    HA   VAL  92           HA       VAL  92   6.484  -0.109  -2.057
  604    HB   VAL  92           HB       VAL  92   6.317   1.501  -0.259
  605   1HG1  VAL  92          HG11      VAL  92   4.193  -0.108   0.821
  606   2HG1  VAL  92          HG12      VAL  92   4.310  -0.352  -0.925
  607   3HG1  VAL  92          HG13      VAL  92   4.104   1.274  -0.276
  608   1HG2  VAL  92          HG21      VAL  92   6.302  -0.845   1.616
  609   2HG2  VAL  92          HG22      VAL  92   6.134   0.853   2.063
  610   3HG2  VAL  92          HG23      VAL  92   7.652   0.264   1.389
  611    H    ILE  93           HN       ILE  93   8.218   1.593  -1.606
  612    HA   ILE  93           HA       ILE  93  10.674   0.322  -0.618
  613    HB   ILE  93           HB       ILE  93  10.854   2.289  -2.846
  614   1HG1  ILE  93          HG12      ILE  93  10.326  -0.668  -3.229
  615   2HG1  ILE  93          HG11      ILE  93   9.206   0.629  -3.636
  616   1HG2  ILE  93          HG21      ILE  93  12.876   1.006  -3.359
  617   2HG2  ILE  93          HG22      ILE  93  12.499  -0.099  -2.038
  618   3HG2  ILE  93          HG23      ILE  93  12.869   1.591  -1.695
  619   1HD1  ILE  93          HD11      ILE  93  11.910   0.199  -4.882
  620   2HD1  ILE  93          HD12      ILE  93  10.753   1.459  -5.311
  621   3HD1  ILE  93          HD13      ILE  93  10.360  -0.236  -5.601
  622    H    VAL  94           HN       VAL  94  11.518   1.388   0.949
  623    HA   VAL  94           HA       VAL  94  11.460   4.308   1.037
  624    HB   VAL  94           HB       VAL  94   9.682   4.038   2.497
  625   1HG1  VAL  94          HG11      VAL  94   9.440   2.193   4.096
  626   2HG1  VAL  94          HG12      VAL  94  10.983   1.529   3.560
  627   3HG1  VAL  94          HG13      VAL  94   9.620   1.603   2.444
  628   1HG2  VAL  94          HG21      VAL  94  11.972   3.638   4.418
  629   2HG2  VAL  94          HG22      VAL  94  10.439   4.455   4.723
  630   3HG2  VAL  94          HG23      VAL  94  11.616   5.170   3.622
  631    H    SER  95           HN       SER  95  13.585   4.709   0.904
  632    HA   SER  95           HA       SER  95  15.473   3.040   2.381
  633   1HB   SER  95          HB2       SER  95  15.956   5.246   0.364
  634   2HB   SER  95          HB1       SER  95  17.209   4.245   1.099
  635    HG   SER  95           HG       SER  95  15.751   3.720  -1.047
  636    H    GLN  96           HN       GLN  96  13.658   5.007   3.690
  637    HA   GLN  96           HA       GLN  96  15.743   6.558   5.065
  638   1HB   GLN  96          HB2       GLN  96  12.985   7.505   4.275
  639   2HB   GLN  96          HB1       GLN  96  14.031   8.363   5.398
  640   1HG   GLN  96          HG2       GLN  96  14.739   7.735   2.542
  641   2HG   GLN  96          HG1       GLN  96  14.072   9.268   3.100
  642   1HE2  GLN  96          HE21      GLN  96  16.851   7.189   3.066
  643   2HE2  GLN  96          HE22      GLN  96  17.984   8.351   3.656
  644    HA   PRO  97           HA       PRO  97  13.510   3.905   8.120
  645   1HB   PRO  97          HB2       PRO  97  15.693   3.583   9.727
  646   2HB   PRO  97          HB1       PRO  97  15.336   2.539   8.347
  647   1HG   PRO  97          HG2       PRO  97  17.225   4.853   8.534
  648   2HG   PRO  97          HG1       PRO  97  17.457   3.278   7.751
  649   1HD   PRO  97          HD2       PRO  97  16.842   5.498   6.349
  650   2HD   PRO  97          HD1       PRO  97  16.254   3.891   5.876
  651    H    VAL  98           HN       VAL  98  15.829   6.527   8.721
  652    HA   VAL  98           HA       VAL  98  13.936   7.757  10.555
  653    HB   VAL  98           HB       VAL  98  15.629   8.103  12.310
  654   1HG1  VAL  98          HG11      VAL  98  14.041   6.273  12.529
  655   2HG1  VAL  98          HG12      VAL  98  15.601   5.824  13.218
  656   3HG1  VAL  98          HG13      VAL  98  15.125   5.206  11.636
  657   1HG2  VAL  98          HG21      VAL  98  17.638   7.899  10.950
  658   2HG2  VAL  98          HG22      VAL  98  17.300   6.188  10.683
  659   3HG2  VAL  98          HG23      VAL  98  17.688   6.768  12.303
  660    H    GLN  99           HN       GLN  99  15.179   8.309   7.898
  661    HA   GLN  99           HA       GLN  99  15.948  10.095   6.721
  662   1HB   GLN  99          HB2       GLN  99  15.349  11.578   9.286
  663   2HB   GLN  99          HB1       GLN  99  15.677  12.333   7.733
  664   1HG   GLN  99          HG2       GLN  99  13.687  11.274   6.795
  665   2HG   GLN  99          HG1       GLN  99  13.358  10.518   8.353
  666   1HE2  GLN  99          HE21      GLN  99  12.627  11.781  10.063
  667   2HE2  GLN  99          HE22      GLN  99  11.987  13.368   9.825
  668    H    ASN 100           HN       ASN 100  17.784  11.491   6.425
  669    HA   ASN 100           HA       ASN 100  20.003  11.970   6.554
  670   1HB   ASN 100          HB2       ASN 100  19.516  11.676   9.526
  671   2HB   ASN 100          HB1       ASN 100  20.941  12.409   8.796
  672   1HD2  ASN 100          HD21      ASN 100  20.766  14.415   7.798
  673   2HD2  ASN 100          HD22      ASN 100  19.417  15.459   8.072
  Start of MODEL    2
    1    H    GLY  21           H        GLY  21 -19.324  -4.720   4.823
    2   1HA   GLY  21          HA1       GLY  21 -18.734  -7.628   4.726
    3   2HA   GLY  21          HA2       GLY  21 -20.134  -6.848   4.006
    4    H    TYR  22           HN       TYR  22 -19.078  -4.632   2.838
    5    HA   TYR  22           HA       TYR  22 -17.478  -5.823   0.700
    6   1HB   TYR  22          HB2       TYR  22 -18.112  -3.769  -0.572
    7   2HB   TYR  22          HB1       TYR  22 -19.492  -4.723  -0.039
    8    HD1  TYR  22           HD1      TYR  22 -17.684  -1.570   0.350
    9    HD2  TYR  22           HD2      TYR  22 -20.982  -3.890   1.706
   10    HE1  TYR  22           HE1      TYR  22 -18.638   0.425   1.426
   11    HE2  TYR  22           HE2      TYR  22 -21.945  -1.902   2.784
   12    HH   TYR  22           HH       TYR  22 -21.183   0.272   3.658
   13    H    GLU  23           HN       GLU  23 -16.091  -5.317   3.069
   14    HA   GLU  23           HA       GLU  23 -14.657  -2.815   2.731
   15   1HB   GLU  23          HB2       GLU  23 -14.261  -5.062   4.716
   16   2HB   GLU  23          HB1       GLU  23 -13.422  -3.517   4.749
   17   1HG   GLU  23          HG2       GLU  23 -16.388  -3.921   5.059
   18   2HG   GLU  23          HG1       GLU  23 -15.245  -3.577   6.355
   19    H    CYS  24           HN       CYS  24 -12.442  -2.643   2.279
   20    HA   CYS  24           HA       CYS  24 -11.259  -5.026   1.006
   21   1HB   CYS  24          HB2       CYS  24 -10.743  -2.147   0.230
   22   2HB   CYS  24          HB1       CYS  24 -10.234  -3.591  -0.641
   23    HG   CYS  24           HG       CYS  24 -13.494  -3.663  -0.305
   24    H    GLN  25           HN       GLN  25  -8.982  -5.307   1.223
   25    HA   GLN  25           HA       GLN  25  -7.527  -3.565   3.019
   26   1HB   GLN  25          HB2       GLN  25  -7.868  -6.478   3.742
   27   2HB   GLN  25          HB1       GLN  25  -7.022  -5.243   4.665
   28   1HG   GLN  25          HG2       GLN  25  -9.129  -4.095   5.081
   29   2HG   GLN  25          HG1       GLN  25  -9.984  -5.312   4.135
   30   1HE2  GLN  25          HE21      GLN  25 -10.357  -4.573   6.912
   31   2HE2  GLN  25          HE22      GLN  25 -10.094  -6.006   7.839
   32    H    LEU  26           HN       LEU  26  -5.561  -3.360   2.209
   33    HA   LEU  26           HA       LEU  26  -4.480  -5.546   0.554
   34   1HB   LEU  26          HB2       LEU  26  -3.302  -2.819   0.451
   35   2HB   LEU  26          HB1       LEU  26  -3.462  -4.016  -0.819
   36    HG   LEU  26           HG       LEU  26  -5.518  -2.071   0.179
   37   1HD1  LEU  26          HD11      LEU  26  -4.493  -1.017  -1.542
   38   2HD1  LEU  26          HD12      LEU  26  -5.655  -1.960  -2.472
   39   3HD1  LEU  26          HD13      LEU  26  -3.991  -2.519  -2.313
   40   1HD2  LEU  26          HD21      LEU  26  -5.945  -4.742  -0.963
   41   2HD2  LEU  26          HD22      LEU  26  -6.835  -3.439  -1.750
   42   3HD2  LEU  26          HD23      LEU  26  -7.032  -3.720  -0.022
   43    H    ARG  27           HN       ARG  27  -2.427  -6.337   0.903
   44    HA   ARG  27           HA       ARG  27  -1.311  -5.668   3.516
   45   1HB   ARG  27          HB2       ARG  27  -0.404  -7.871   1.680
   46   2HB   ARG  27          HB1       ARG  27  -0.144  -7.736   3.412
   47   1HG   ARG  27          HG2       ARG  27  -2.600  -7.988   3.729
   48   2HG   ARG  27          HG1       ARG  27  -2.740  -8.297   1.998
   49   1HD   ARG  27          HD2       ARG  27  -2.672 -10.388   3.224
   50   2HD   ARG  27          HD1       ARG  27  -1.225 -10.212   2.231
   51    HE   ARG  27           HE       ARG  27  -0.791  -9.242   4.866
   52   1HH1  ARG  27          HH11      ARG  27  -1.030 -12.182   3.001
   53   2HH1  ARG  27          HH12      ARG  27  -0.032 -13.095   4.081
   54   1HH2  ARG  27          HH21      ARG  27   0.522 -10.441   6.286
   55   2HH2  ARG  27          HH22      ARG  27   0.850 -12.107   5.947
   56    H    LEU  28           HN       LEU  28   0.779  -4.930   3.834
   57    HA   LEU  28           HA       LEU  28   2.274  -4.175   1.400
   58   1HB   LEU  28          HB2       LEU  28   1.873  -2.670   3.971
   59   2HB   LEU  28          HB1       LEU  28   3.262  -2.367   2.964
   60    HG   LEU  28           HG       LEU  28   0.853  -1.072   2.815
   61   1HD1  LEU  28          HD11      LEU  28   1.766  -0.040   0.835
   62   2HD1  LEU  28          HD12      LEU  28   2.919  -1.364   0.663
   63   3HD1  LEU  28          HD13      LEU  28   3.019  -0.284   2.058
   64   1HD2  LEU  28          HD21      LEU  28  -0.301  -2.914   1.788
   65   2HD2  LEU  28          HD22      LEU  28   0.978  -3.098   0.588
   66   3HD2  LEU  28          HD23      LEU  28  -0.038  -1.662   0.579
   67    H    ARG  29           HN       ARG  29   4.495  -4.347   1.443
   68    HA   ARG  29           HA       ARG  29   5.698  -5.673   3.800
   69   1HB   ARG  29          HB2       ARG  29   5.316  -7.368   2.076
   70   2HB   ARG  29          HB1       ARG  29   6.153  -6.379   0.889
   71   1HG   ARG  29          HG2       ARG  29   8.223  -6.598   2.199
   72   2HG   ARG  29          HG1       ARG  29   7.370  -7.643   3.337
   73   1HD   ARG  29          HD2       ARG  29   7.799  -8.178   0.400
   74   2HD   ARG  29          HD1       ARG  29   8.648  -8.959   1.733
   75    HE   ARG  29           HE       ARG  29   5.985  -9.417   2.206
   76   1HH1  ARG  29          HH11      ARG  29   8.206 -10.084  -0.401
   77   2HH1  ARG  29          HH12      ARG  29   7.383 -11.523  -0.900
   78   1HH2  ARG  29          HH21      ARG  29   4.898 -11.307   1.548
   79   2HH2  ARG  29          HH22      ARG  29   5.503 -12.217   0.205
   80    H    LEU  30           HN       LEU  30   6.891  -4.010   4.596
   81    HA   LEU  30           HA       LEU  30   8.173  -2.176   2.777
   82   1HB   LEU  30          HB2       LEU  30   7.797  -2.268   5.706
   83   2HB   LEU  30          HB1       LEU  30   8.963  -1.174   5.025
   84    HG   LEU  30           HG       LEU  30   6.883  -0.002   5.417
   85   1HD1  LEU  30          HD11      LEU  30   7.775   1.073   3.668
   86   2HD1  LEU  30          HD12      LEU  30   6.338   0.448   2.858
   87   3HD1  LEU  30          HD13      LEU  30   7.884  -0.381   2.682
   88   1HD2  LEU  30          HD21      LEU  30   5.158  -1.513   5.420
   89   2HD2  LEU  30          HD22      LEU  30   5.688  -2.282   3.929
   90   3HD2  LEU  30          HD23      LEU  30   4.917  -0.699   3.876
   91    H    SER  31           HN       SER  31  10.230  -1.836   2.432
   92    HA   SER  31           HA       SER  31  11.968  -3.989   2.304
   93   1HB   SER  31          HB2       SER  31  12.187  -2.036   0.861
   94   2HB   SER  31          HB1       SER  31  12.628  -1.038   2.248
   95    HG   SER  31           HG       SER  31  14.339  -2.091   0.796
   96    H    THR  32           HN       THR  32  11.428  -1.768   4.914
   97    HA   THR  32           HA       THR  32  13.917  -2.397   6.244
   98    HB   THR  32           HB       THR  32  11.467  -1.010   7.357
   99    HG1  THR  32           HG1      THR  32  13.826   0.052   6.154
  100   1HG2  THR  32          HG21      THR  32  13.148  -0.041   8.949
  101   2HG2  THR  32          HG22      THR  32  14.318  -1.204   8.324
  102   3HG2  THR  32          HG23      THR  32  12.864  -1.770   9.146
  103    H    GLY  33           HN       GLY  33  11.073  -4.001   5.724
  104   1HA   GLY  33          HA2       GLY  33  10.679  -6.203   6.519
  105   2HA   GLY  33          HA1       GLY  33  11.576  -5.797   7.990
  106    H    LYS  34           HN       LYS  34   9.058  -3.972   6.335
  107    HA   LYS  34           HA       LYS  34   7.427  -4.225   8.743
  108   1HB   LYS  34          HB2       LYS  34   8.091  -2.068   8.993
  109   2HB   LYS  34          HB1       LYS  34   8.362  -1.837   7.281
  110   1HG   LYS  34          HG2       LYS  34   6.631  -0.404   7.785
  111   2HG   LYS  34          HG1       LYS  34   5.808  -1.791   7.088
  112   1HD   LYS  34          HD2       LYS  34   6.208  -1.510  10.046
  113   2HD   LYS  34          HD1       LYS  34   4.822  -0.796   9.220
  114   1HE   LYS  34          HE2       LYS  34   4.232  -3.012   8.343
  115   2HE   LYS  34          HE1       LYS  34   5.587  -3.708   9.224
  116   1HZ   LYS  34          HZ1       LYS  34   3.219  -2.371  10.412
  117   2HZ   LYS  34          HZ2       LYS  34   4.558  -2.911  11.294
  118   3HZ   LYS  34          HZ3       LYS  34   3.582  -4.023  10.474
  119    H    ASP  35           HN       ASP  35   6.149  -5.822   7.992
  120    HA   ASP  35           HA       ASP  35   4.592  -5.292   5.578
  121   1HB   ASP  35          HB2       ASP  35   5.841  -7.409   5.559
  122   2HB   ASP  35          HB1       ASP  35   5.040  -7.897   7.055
  123    H    LEU  36           HN       LEU  36   2.708  -4.412   5.987
  124    HA   LEU  36           HA       LEU  36   0.986  -5.525   8.044
  125   1HB   LEU  36          HB2       LEU  36   2.332  -3.571   8.992
  126   2HB   LEU  36          HB1       LEU  36   1.408  -2.549   7.911
  127    HG   LEU  36           HG       LEU  36   0.525  -2.554  10.216
  128   1HD1  LEU  36          HD11      LEU  36  -1.593  -3.933   8.680
  129   2HD1  LEU  36          HD12      LEU  36  -0.879  -2.494   7.952
  130   3HD1  LEU  36          HD13      LEU  36  -1.633  -2.398   9.544
  131   1HD2  LEU  36          HD21      LEU  36  -0.562  -4.522  11.113
  132   2HD2  LEU  36          HD22      LEU  36   1.134  -4.871  10.776
  133   3HD2  LEU  36          HD23      LEU  36  -0.121  -5.450   9.679
  134    H    LYS  37           HN       LYS  37  -1.118  -5.489   7.490
  135    HA   LYS  37           HA       LYS  37  -1.756  -4.413   4.853
  136   1HB   LYS  37          HB2       LYS  37  -2.347  -6.667   4.982
  137   2HB   LYS  37          HB1       LYS  37  -2.960  -6.509   6.616
  138   1HG   LYS  37          HG2       LYS  37  -4.875  -5.227   5.756
  139   2HG   LYS  37          HG1       LYS  37  -4.258  -5.438   4.117
  140   1HD   LYS  37          HD2       LYS  37  -6.020  -7.055   4.610
  141   2HD   LYS  37          HD1       LYS  37  -4.474  -7.862   4.344
  142   1HE   LYS  37          HE2       LYS  37  -4.155  -8.070   6.750
  143   2HE   LYS  37          HE1       LYS  37  -5.673  -7.219   7.038
  144   1HZ   LYS  37          HZ1       LYS  37  -5.382  -9.837   5.663
  145   2HZ   LYS  37          HZ2       LYS  37  -6.841  -9.020   5.913
  146   3HZ   LYS  37          HZ3       LYS  37  -5.961  -9.601   7.236
  147    H    LEU  38           HN       LEU  38  -2.883  -2.637   4.605
  148    HA   LEU  38           HA       LEU  38  -4.272  -1.485   6.915
  149   1HB   LEU  38          HB2       LEU  38  -2.872   0.174   6.195
  150   2HB   LEU  38          HB1       LEU  38  -2.876  -0.400   4.537
  151    HG   LEU  38           HG       LEU  38  -5.220   0.560   4.332
  152   1HD1  LEU  38          HD11      LEU  38  -5.886   2.244   5.926
  153   2HD1  LEU  38          HD12      LEU  38  -4.420   1.987   6.869
  154   3HD1  LEU  38          HD13      LEU  38  -5.638   0.718   6.772
  155   1HD2  LEU  38          HD21      LEU  38  -3.199   1.606   3.412
  156   2HD2  LEU  38          HD22      LEU  38  -2.966   2.471   4.930
  157   3HD2  LEU  38          HD23      LEU  38  -4.389   2.797   3.938
  158    H    VAL  39           HN       VAL  39  -6.415  -0.973   6.868
  159    HA   VAL  39           HA       VAL  39  -8.066  -2.353   4.996
  160    HB   VAL  39           HB       VAL  39  -9.957  -1.389   6.222
  161   1HG1  VAL  39          HG11      VAL  39  -7.783  -2.343   8.082
  162   2HG1  VAL  39          HG12      VAL  39  -8.801  -3.384   7.088
  163   3HG1  VAL  39          HG13      VAL  39  -9.520  -2.412   8.373
  164   1HG2  VAL  39          HG21      VAL  39  -7.826   0.227   7.611
  165   2HG2  VAL  39          HG22      VAL  39  -9.464   0.029   8.232
  166   3HG2  VAL  39          HG23      VAL  39  -9.201   0.825   6.682
  167    H    VAL  40           HN       VAL  40  -8.655  -1.670   3.069
  168    HA   VAL  40           HA       VAL  40  -8.806   1.228   2.552
  169    HB   VAL  40           HB       VAL  40  -8.322   0.606   0.144
  170   1HG1  VAL  40          HG11      VAL  40  -6.646   1.629   1.581
  171   2HG1  VAL  40          HG12      VAL  40  -5.904   0.443   0.507
  172   3HG1  VAL  40          HG13      VAL  40  -6.189   0.043   2.201
  173   1HG2  VAL  40          HG21      VAL  40  -7.389  -1.978   1.387
  174   2HG2  VAL  40          HG22      VAL  40  -7.283  -1.514  -0.313
  175   3HG2  VAL  40          HG23      VAL  40  -8.857  -1.806   0.422
  176    H    ARG  41           HN       ARG  41 -10.251   1.669   0.556
  177    HA   ARG  41           HA       ARG  41 -12.418  -0.147   0.146
  178   1HB   ARG  41          HB2       ARG  41 -13.108   0.739   2.285
  179   2HB   ARG  41          HB1       ARG  41 -12.876   2.386   1.719
  180   1HG   ARG  41          HG2       ARG  41 -14.668   1.934   0.010
  181   2HG   ARG  41          HG1       ARG  41 -14.986   0.424   0.868
  182   1HD   ARG  41          HD2       ARG  41 -15.438   1.687   2.915
  183   2HD   ARG  41          HD1       ARG  41 -15.116   3.194   2.058
  184    HE   ARG  41           HE       ARG  41 -17.171   1.604   0.838
  185   1HH1  ARG  41          HH11      ARG  41 -16.490   3.997   3.286
  186   2HH1  ARG  41          HH12      ARG  41 -18.107   4.615   3.309
  187   1HH2  ARG  41          HH21      ARG  41 -19.298   2.421   0.863
  188   2HH2  ARG  41          HH22      ARG  41 -19.701   3.721   1.935
  189    H    SER  42           HN       SER  42 -12.089   0.050  -2.011
  190    HA   SER  42           HA       SER  42 -12.032   0.886  -4.106
  191   1HB   SER  42          HB2       SER  42 -14.408   0.753  -3.718
  192   2HB   SER  42          HB1       SER  42 -14.412   2.353  -2.977
  193    HG   SER  42           HG       SER  42 -14.958   1.980  -5.383
  194    H    THR  43           HN       THR  43 -12.531   3.680  -1.929
  195    HA   THR  43           HA       THR  43 -11.062   5.342  -3.820
  196    HB   THR  43           HB       THR  43 -11.737   7.234  -2.392
  197    HG1  THR  43           HG1      THR  43 -11.853   6.098  -0.394
  198   1HG2  THR  43          HG21      THR  43 -14.148   7.140  -2.841
  199   2HG2  THR  43          HG22      THR  43 -14.026   5.404  -3.128
  200   3HG2  THR  43          HG23      THR  43 -13.217   6.536  -4.212
  201    H    ASP  44           HN       ASP  44 -10.386   3.372  -1.235
  202    HA   ASP  44           HA       ASP  44  -8.252   5.087  -0.201
  203   1HB   ASP  44          HB2       ASP  44  -9.960   3.337   1.075
  204   2HB   ASP  44          HB1       ASP  44  -8.461   2.418   0.968
  205    H    THR  45           HN       THR  45  -8.146   3.903  -2.871
  206    HA   THR  45           HA       THR  45  -6.591   1.671  -3.236
  207    HB   THR  45           HB       THR  45  -5.660   2.860  -5.246
  208    HG1  THR  45           HG1      THR  45  -7.149   4.972  -5.385
  209   1HG2  THR  45          HG21      THR  45  -8.452   2.327  -4.596
  210   2HG2  THR  45          HG22      THR  45  -7.521   1.872  -6.022
  211   3HG2  THR  45          HG23      THR  45  -8.258   3.471  -5.923
  212    H    VAL  46           HN       VAL  46  -4.246   1.671  -3.984
  213    HA   VAL  46           HA       VAL  46  -2.447   1.873  -2.059
  214    HB   VAL  46           HB       VAL  46  -2.129   2.201  -4.997
  215   1HG1  VAL  46          HG11      VAL  46   0.110   2.588  -3.013
  216   2HG1  VAL  46          HG12      VAL  46  -0.457   3.748  -4.216
  217   3HG1  VAL  46          HG13      VAL  46   0.339   2.260  -4.731
  218   1HG2  VAL  46          HG21      VAL  46  -1.255   0.076  -4.905
  219   2HG2  VAL  46          HG22      VAL  46  -2.377   0.030  -3.549
  220   3HG2  VAL  46          HG23      VAL  46  -0.650   0.261  -3.256
  221    H    PHE  47           HN       PHE  47  -3.706   4.646  -3.751
  222    HA   PHE  47           HA       PHE  47  -1.762   6.555  -2.979
  223   1HB   PHE  47          HB2       PHE  47  -3.371   7.010  -4.757
  224   2HB   PHE  47          HB1       PHE  47  -4.700   6.885  -3.632
  225    HD1  PHE  47           HD1      PHE  47  -2.383   9.061  -5.192
  226    HD2  PHE  47           HD2      PHE  47  -4.734   8.571  -1.678
  227    HE1  PHE  47           HE1      PHE  47  -2.216  11.474  -4.748
  228    HE2  PHE  47           HE2      PHE  47  -4.571  10.985  -1.228
  229    HZ   PHE  47           HZ       PHE  47  -3.311  12.439  -2.764
  230    H    HIS  48           HN       HIS  48  -5.004   5.905  -1.635
  231    HA   HIS  48           HA       HIS  48  -4.426   7.373   0.756
  232   1HB   HIS  48          HB2       HIS  48  -6.588   5.338   0.211
  233   2HB   HIS  48          HB1       HIS  48  -6.528   6.436   1.588
  234    HD1  HIS  48           HD1      HIS  48  -8.110   8.304   1.286
  235    HD2  HIS  48           HD2      HIS  48  -6.450   7.100  -2.328
  236    HE1  HIS  48           HE1      HIS  48  -9.115   9.818  -0.452
  237    HE2  HIS  48           HE2      HIS  48  -8.023   9.133  -2.617
  238    H    MET  49           HN       MET  49  -4.500   4.019  -0.260
  239    HA   MET  49           HA       MET  49  -4.015   2.619   1.986
  240   1HB   MET  49          HB2       MET  49  -4.089   1.816  -0.458
  241   2HB   MET  49          HB1       MET  49  -2.367   2.166  -0.472
  242   1HG   MET  49          HG2       MET  49  -2.232   0.647   1.582
  243   2HG   MET  49          HG1       MET  49  -3.834   0.092   1.094
  244   1HE   MET  49          HE1       MET  49  -0.819   1.219  -1.221
  245   2HE   MET  49          HE2       MET  49  -0.019  -0.333  -1.464
  246   3HE   MET  49          HE3       MET  49  -0.070   0.390   0.143
  247    H    LYS  50           HN       LYS  50  -1.675   4.339  -0.006
  248    HA   LYS  50           HA       LYS  50   0.526   3.893   1.761
  249   1HB   LYS  50          HB2       LYS  50   1.800   5.292   0.306
  250   2HB   LYS  50          HB1       LYS  50   0.758   4.312  -0.708
  251   1HG   LYS  50          HG2       LYS  50  -0.604   6.113  -1.259
  252   2HG   LYS  50          HG1       LYS  50  -0.040   7.083   0.100
  253   1HD   LYS  50          HD2       LYS  50   2.104   7.386  -0.940
  254   2HD   LYS  50          HD1       LYS  50   1.689   6.256  -2.228
  255   1HE   LYS  50          HE2       LYS  50  -0.082   7.770  -2.980
  256   2HE   LYS  50          HE1       LYS  50   0.332   8.897  -1.689
  257   1HZ   LYS  50          HZ1       LYS  50   2.521   9.166  -2.672
  258   2HZ   LYS  50          HZ2       LYS  50   1.315   9.559  -3.791
  259   3HZ   LYS  50          HZ3       LYS  50   2.129   8.081  -3.910
  260    H    ARG  51           HN       ARG  51  -1.927   6.348   1.302
  261    HA   ARG  51           HA       ARG  51  -0.889   8.438   2.760
  262   1HB   ARG  51          HB2       ARG  51  -3.050   8.539   1.564
  263   2HB   ARG  51          HB1       ARG  51  -3.762   7.507   2.795
  264   1HG   ARG  51          HG2       ARG  51  -3.140   9.274   4.476
  265   2HG   ARG  51          HG1       ARG  51  -2.749  10.315   3.106
  266   1HD   ARG  51          HD2       ARG  51  -5.024  10.118   2.278
  267   2HD   ARG  51          HD1       ARG  51  -5.424   9.009   3.590
  268    HE   ARG  51           HE       ARG  51  -4.449  11.590   4.442
  269   1HH1  ARG  51          HH11      ARG  51  -7.260   9.688   3.616
  270   2HH1  ARG  51          HH12      ARG  51  -8.353  10.688   4.512
  271   1HH2  ARG  51          HH21      ARG  51  -5.886  12.904   5.619
  272   2HH2  ARG  51          HH22      ARG  51  -7.574  12.515   5.649
  273    H    ARG  52           HN       ARG  52  -3.026   5.876   3.964
  274    HA   ARG  52           HA       ARG  52  -2.467   6.430   6.706
  275   1HB   ARG  52          HB2       ARG  52  -3.898   4.167   5.323
  276   2HB   ARG  52          HB1       ARG  52  -3.706   4.241   7.068
  277   1HG   ARG  52          HG2       ARG  52  -4.929   6.349   7.117
  278   2HG   ARG  52          HG1       ARG  52  -5.104   6.292   5.361
  279   1HD   ARG  52          HD2       ARG  52  -6.370   4.210   5.555
  280   2HD   ARG  52          HD1       ARG  52  -6.184   4.255   7.308
  281    HE   ARG  52           HE       ARG  52  -7.361   6.649   6.572
  282   1HH1  ARG  52          HH11      ARG  52  -8.137   3.250   6.412
  283   2HH1  ARG  52          HH12      ARG  52  -9.846   3.507   6.511
  284   1HH2  ARG  52          HH21      ARG  52  -9.610   6.989   6.703
  285   2HH2  ARG  52          HH22      ARG  52 -10.682   5.629   6.676
  286    H    LEU  53           HN       LEU  53  -0.870   4.653   4.254
  287    HA   LEU  53           HA       LEU  53   0.369   2.626   5.743
  288   1HB   LEU  53          HB2       LEU  53   0.409   2.849   3.269
  289   2HB   LEU  53          HB1       LEU  53   1.527   4.182   3.435
  290    HG   LEU  53           HG       LEU  53   3.184   2.657   4.416
  291   1HD1  LEU  53          HD11      LEU  53   1.091   0.565   3.881
  292   2HD1  LEU  53          HD12      LEU  53   1.753   1.031   5.448
  293   3HD1  LEU  53          HD13      LEU  53   2.777   0.219   4.264
  294   1HD2  LEU  53          HD21      LEU  53   3.115   3.097   1.994
  295   2HD2  LEU  53          HD22      LEU  53   2.103   1.668   1.790
  296   3HD2  LEU  53          HD23      LEU  53   3.756   1.501   2.384
  297    H    HIS  54           HN       HIS  54   1.411   5.955   5.049
  298    HA   HIS  54           HA       HIS  54   3.693   5.863   6.740
  299   1HB   HIS  54          HB2       HIS  54   3.613   7.502   4.968
  300   2HB   HIS  54          HB1       HIS  54   2.109   8.169   5.582
  301    HD1  HIS  54           HD1      HIS  54   5.793   8.028   6.378
  302    HD2  HIS  54           HD2      HIS  54   2.381  10.101   7.526
  303    HE1  HIS  54           HE1      HIS  54   6.609   9.910   7.832
  304    HE2  HIS  54           HE2      HIS  54   4.535  11.206   8.435
  305    H    ALA  55           HN       ALA  55   0.398   7.144   7.085
  306    HA   ALA  55           HA       ALA  55   0.651   8.254   9.631
  307   1HB   ALA  55          HB1       ALA  55  -1.748   8.176   9.762
  308   2HB   ALA  55          HB2       ALA  55  -1.816   6.948   8.499
  309   3HB   ALA  55          HB3       ALA  55  -1.274   8.581   8.112
  310    H    ALA  56           HN       ALA  56  -0.032   4.911   8.692
  311    HA   ALA  56           HA       ALA  56  -0.369   4.121  11.469
  312   1HB   ALA  56          HB1       ALA  56  -0.917   1.925  10.584
  313   2HB   ALA  56          HB2       ALA  56  -0.462   2.449   8.963
  314   3HB   ALA  56          HB3       ALA  56  -1.852   3.176   9.767
  315    H    GLU  57           HN       GLU  57   1.841   3.412   8.770
  316    HA   GLU  57           HA       GLU  57   3.594   1.931  10.560
  317   1HB   GLU  57          HB2       GLU  57   4.133   2.546   7.662
  318   2HB   GLU  57          HB1       GLU  57   4.768   1.224   8.632
  319   1HG   GLU  57          HG2       GLU  57   1.971   1.558   7.589
  320   2HG   GLU  57          HG1       GLU  57   3.151   0.325   7.147
  321    H    GLY  58           HN       GLY  58   4.056   4.593   8.221
  322   1HA   GLY  58          HA2       GLY  58   5.057   6.634   9.439
  323   2HA   GLY  58          HA1       GLY  58   6.335   5.496   9.855
  324    H    VAL  59           HN       VAL  59   5.505   4.440   6.931
  325    HA   VAL  59           HA       VAL  59   7.646   5.919   5.641
  326    HB   VAL  59           HB       VAL  59   6.020   3.599   4.584
  327   1HG1  VAL  59          HG11      VAL  59   7.295   5.112   2.966
  328   2HG1  VAL  59          HG12      VAL  59   7.618   3.380   2.886
  329   3HG1  VAL  59          HG13      VAL  59   8.754   4.453   3.702
  330   1HG2  VAL  59          HG21      VAL  59   8.721   3.584   5.927
  331   2HG2  VAL  59          HG22      VAL  59   7.878   2.186   5.257
  332   3HG2  VAL  59          HG23      VAL  59   7.214   3.031   6.655
  333    H    GLU  60           HN       GLU  60   7.212   7.692   4.551
  334    HA   GLU  60           HA       GLU  60   4.547   8.192   3.477
  335   1HB   GLU  60          HB2       GLU  60   5.586  10.518   3.068
  336   2HB   GLU  60          HB1       GLU  60   5.270  10.031   4.725
  337   1HG   GLU  60          HG2       GLU  60   7.435  11.154   4.438
  338   2HG   GLU  60          HG1       GLU  60   7.590   9.516   5.067
  339    HA   PRO  61           HA       PRO  61   4.945   8.036  -0.926
  340   1HB   PRO  61          HB2       PRO  61   5.721  10.934  -0.815
  341   2HB   PRO  61          HB1       PRO  61   4.666  10.104  -1.966
  342   1HG   PRO  61          HG2       PRO  61   3.672  11.493   0.109
  343   2HG   PRO  61          HG1       PRO  61   2.895  10.020  -0.494
  344   1HD   PRO  61          HD2       PRO  61   4.298  10.471   2.032
  345   2HD   PRO  61          HD1       PRO  61   3.225   9.141   1.572
  346    H    GLY  62           HN       GLY  62   7.471  10.247   0.336
  347   1HA   GLY  62          HA2       GLY  62   9.405   9.735  -1.586
  348   2HA   GLY  62          HA1       GLY  62   9.756  10.213   0.069
  349    H    SER  63           HN       SER  63   8.752   7.981   1.409
  350    HA   SER  63           HA       SER  63  10.776   5.987   0.699
  351   1HB   SER  63          HB2       SER  63   9.208   6.329   3.264
  352   2HB   SER  63          HB1       SER  63  10.522   5.189   2.993
  353    HG   SER  63           HG       SER  63  10.908   7.416   4.008
  354    H    GLN  64           HN       GLN  64   7.600   6.464   0.055
  355    HA   GLN  64           HA       GLN  64   6.799   3.682   0.477
  356   1HB   GLN  64          HB2       GLN  64   5.267   6.160  -0.286
  357   2HB   GLN  64          HB1       GLN  64   4.556   4.556  -0.374
  358   1HG   GLN  64          HG2       GLN  64   4.854   4.245   2.002
  359   2HG   GLN  64          HG1       GLN  64   5.691   5.791   2.123
  360   1HE2  GLN  64          HE21      GLN  64   3.864   7.133   0.275
  361   2HE2  GLN  64          HE22      GLN  64   2.396   7.367   1.144
  362    H    ARG  65           HN       ARG  65   8.496   3.169  -1.238
  363    HA   ARG  65           HA       ARG  65   7.744   3.767  -3.962
  364   1HB   ARG  65          HB2       ARG  65   9.756   1.750  -2.960
  365   2HB   ARG  65          HB1       ARG  65   9.638   2.392  -4.590
  366   1HG   ARG  65          HG2       ARG  65  10.221   4.109  -2.195
  367   2HG   ARG  65          HG1       ARG  65  11.478   3.338  -3.163
  368   1HD   ARG  65          HD2       ARG  65  11.200   5.587  -3.939
  369   2HD   ARG  65          HD1       ARG  65  10.560   4.493  -5.164
  370    HE   ARG  65           HE       ARG  65   8.574   5.460  -3.325
  371   1HH1  ARG  65          HH11      ARG  65  10.295   6.123  -6.289
  372   2HH1  ARG  65          HH12      ARG  65   9.065   7.168  -6.915
  373   1HH2  ARG  65          HH21      ARG  65   6.956   6.836  -4.148
  374   2HH2  ARG  65          HH22      ARG  65   7.171   7.575  -5.701
  375    H    TRP  66           HN       TRP  66   5.753   2.912  -4.369
  376    HA   TRP  66           HA       TRP  66   4.932   0.330  -3.522
  377   1HB   TRP  66          HB2       TRP  66   3.081   0.745  -5.268
  378   2HB   TRP  66          HB1       TRP  66   3.171   1.814  -3.877
  379    HD1  TRP  66           HD1      TRP  66   5.093   2.045  -7.258
  380    HE1  TRP  66           HE1      TRP  66   4.658   4.370  -8.252
  381    HE3  TRP  66           HE3      TRP  66   1.849   3.838  -3.736
  382    HZ2  TRP  66           HZ2      TRP  66   3.141   6.665  -7.635
  383    HZ3  TRP  66           HZ3      TRP  66   0.948   6.111  -4.018
  384    HH2  TRP  66           HH2      TRP  66   1.583   7.493  -5.926
  385    H    PHE  67           HN       PHE  67   5.097  -1.611  -4.454
  386    HA   PHE  67           HA       PHE  67   5.771  -1.855  -7.259
  387   1HB   PHE  67          HB2       PHE  67   7.643  -2.568  -5.042
  388   2HB   PHE  67          HB1       PHE  67   7.636  -3.544  -6.507
  389    HD1  PHE  67           HD1      PHE  67   8.575  -0.379  -5.014
  390    HD2  PHE  67           HD2      PHE  67   8.242  -2.537  -8.667
  391    HE1  PHE  67           HE1      PHE  67  10.047   1.259  -6.114
  392    HE2  PHE  67           HE2      PHE  67   9.712  -0.903  -9.772
  393    HZ   PHE  67           HZ       PHE  67  10.617   0.998  -8.495
  394    H    PHE  68           HN       PHE  68   4.221  -3.184  -7.915
  395    HA   PHE  68           HA       PHE  68   3.579  -5.548  -6.286
  396   1HB   PHE  68          HB2       PHE  68   1.691  -4.006  -6.757
  397   2HB   PHE  68          HB1       PHE  68   1.950  -4.259  -8.480
  398    HD1  PHE  68           HD1      PHE  68   1.400  -6.384  -9.526
  399    HD2  PHE  68           HD2      PHE  68   0.639  -5.682  -5.399
  400    HE1  PHE  68           HE1      PHE  68  -0.093  -8.339  -9.474
  401    HE2  PHE  68           HE2      PHE  68  -0.857  -7.636  -5.339
  402    HZ   PHE  68           HZ       PHE  68  -1.223  -8.967  -7.379
  403    H    SER  69           HN       SER  69   4.190  -7.479  -7.023
  404    HA   SER  69           HA       SER  69   4.947  -9.135  -8.382
  405   1HB   SER  69          HB2       SER  69   2.847  -8.800  -9.587
  406   2HB   SER  69          HB1       SER  69   3.580  -7.507 -10.536
  407    HG   SER  69           HG       SER  69   3.582  -9.494 -11.663
  408    H    GLY  70           HN       GLY  70   6.324  -6.296  -8.190
  409   1HA   GLY  70          HA2       GLY  70   8.616  -5.935  -8.629
  410   2HA   GLY  70          HA1       GLY  70   8.511  -7.060  -9.981
  411    H    ARG  71           HN       ARG  71   6.098  -4.606  -9.598
  412    HA   ARG  71           HA       ARG  71   7.409  -2.908 -11.602
  413   1HB   ARG  71          HB2       ARG  71   4.551  -3.894 -11.739
  414   2HB   ARG  71          HB1       ARG  71   5.252  -2.685 -12.804
  415   1HG   ARG  71          HG2       ARG  71   6.818  -4.324 -13.673
  416   2HG   ARG  71          HG1       ARG  71   6.174  -5.542 -12.569
  417   1HD   ARG  71          HD2       ARG  71   3.995  -5.385 -13.648
  418   2HD   ARG  71          HD1       ARG  71   4.609  -4.136 -14.731
  419    HE   ARG  71           HE       ARG  71   6.139  -6.543 -14.871
  420   1HH1  ARG  71          HH11      ARG  71   3.217  -5.001 -15.992
  421   2HH1  ARG  71          HH12      ARG  71   3.117  -5.955 -17.433
  422   1HH2  ARG  71          HH21      ARG  71   6.011  -7.800 -16.765
  423   2HH2  ARG  71          HH22      ARG  71   4.703  -7.545 -17.872
  424    HA   PRO  72           HA       PRO  72   6.055   0.407  -9.028
  425   1HB   PRO  72          HB2       PRO  72   5.512   2.373 -10.829
  426   2HB   PRO  72          HB1       PRO  72   7.155   1.869 -10.422
  427   1HG   PRO  72          HG2       PRO  72   5.470   1.109 -12.776
  428   2HG   PRO  72          HG1       PRO  72   7.191   1.533 -12.722
  429   1HD   PRO  72          HD2       PRO  72   6.330  -1.027 -12.860
  430   2HD   PRO  72          HD1       PRO  72   7.815  -0.569 -12.002
  431    H    LEU  73           HN       LEU  73   4.175   0.094  -7.996
  432    HA   LEU  73           HA       LEU  73   1.703  -0.337  -9.380
  433   1HB   LEU  73          HB2       LEU  73   2.515  -1.145  -7.025
  434   2HB   LEU  73          HB1       LEU  73   1.844   0.381  -6.485
  435   1HD1  LEU  73          HD21      LEU  73   1.017  -2.616  -8.435
  436   2HD1  LEU  73          HD22      LEU  73   0.032  -1.398  -9.243
  437   3HD1  LEU  73          HD23      LEU  73  -0.721  -2.556  -8.146
  438   1HD2  LEU  73          HD11      LEU  73  -0.810  -2.125  -5.796
  439   2HD2  LEU  73          HD12      LEU  73   0.331  -1.019  -5.035
  440   3HD2  LEU  73          HD13      LEU  73   0.907  -2.523  -5.750
  441    H    THR  74           HN       THR  74  -0.205   0.942  -9.240
  442    HA   THR  74           HA       THR  74   0.338   3.793  -9.435
  443    HB   THR  74           HB       THR  74  -2.376   2.556  -9.797
  444    HG1  THR  74           HG1      THR  74  -1.678   2.331 -12.067
  445   1HG2  THR  74          HG21      THR  74  -0.941   4.974 -10.860
  446   2HG2  THR  74          HG22      THR  74  -2.447   4.904  -9.944
  447   3HG2  THR  74          HG23      THR  74  -2.406   4.349 -11.617
  448    H    ASP  75           HN       ASP  75  -1.309   5.313  -8.463
  449    HA   ASP  75           HA       ASP  75  -1.537   4.734  -5.653
  450   1HB   ASP  75          HB2       ASP  75  -1.864   7.051  -5.379
  451   2HB   ASP  75          HB1       ASP  75  -0.751   6.929  -6.730
  452    H    LYS  76           HN       LYS  76  -3.480   4.281  -8.346
  453    HA   LYS  76           HA       LYS  76  -5.923   4.218  -6.704
  454   1HB   LYS  76          HB2       LYS  76  -5.586   4.921  -9.615
  455   2HB   LYS  76          HB1       LYS  76  -7.149   4.573  -8.886
  456   1HG   LYS  76          HG2       LYS  76  -6.835   6.450  -7.341
  457   2HG   LYS  76          HG1       LYS  76  -5.283   6.805  -8.103
  458   1HD   LYS  76          HD2       LYS  76  -6.405   7.228 -10.223
  459   2HD   LYS  76          HD1       LYS  76  -7.961   6.826  -9.494
  460   1HE   LYS  76          HE2       LYS  76  -6.160   9.103  -8.673
  461   2HE   LYS  76          HE1       LYS  76  -7.627   9.248  -9.640
  462   1HZ   LYS  76          HZ1       LYS  76  -7.486   8.269  -6.838
  463   2HZ   LYS  76          HZ2       LYS  76  -8.896   8.392  -7.765
  464   3HZ   LYS  76          HZ3       LYS  76  -8.048   9.789  -7.331
  465    H    MET  77           HN       MET  77  -4.314   2.060  -6.647
  466    HA   MET  77           HA       MET  77  -5.099   0.194  -8.725
  467   1HB   MET  77          HB2       MET  77  -3.200  -0.046  -6.412
  468   2HB   MET  77          HB1       MET  77  -3.510  -1.335  -7.571
  469   1HG   MET  77          HG2       MET  77  -2.392   1.385  -8.207
  470   2HG   MET  77          HG1       MET  77  -1.483  -0.118  -8.119
  471   1HE   MET  77          HE1       MET  77  -3.574  -2.157  -9.437
  472   2HE   MET  77          HE2       MET  77  -1.848  -2.171  -9.798
  473   3HE   MET  77          HE3       MET  77  -3.023  -2.149 -11.112
  474    H    LYS  78           HN       LYS  78  -6.008   0.776  -5.362
  475    HA   LYS  78           HA       LYS  78  -6.716  -1.832  -4.695
  476   1HB   LYS  78          HB2       LYS  78  -6.682  -0.084  -3.025
  477   2HB   LYS  78          HB1       LYS  78  -8.064   0.696  -3.785
  478   1HG   LYS  78          HG2       LYS  78  -8.322  -2.128  -2.888
  479   2HG   LYS  78          HG1       LYS  78  -8.346  -0.839  -1.687
  480   1HD   LYS  78          HD2       LYS  78 -10.481  -0.492  -2.136
  481   2HD   LYS  78          HD1       LYS  78 -10.048  -0.021  -3.776
  482   1HE   LYS  78          HE2       LYS  78 -10.190  -2.377  -4.469
  483   2HE   LYS  78          HE1       LYS  78 -10.641  -2.823  -2.828
  484   1HZ   LYS  78          HZ1       LYS  78 -12.571  -2.637  -4.277
  485   2HZ   LYS  78          HZ2       LYS  78 -12.197  -1.022  -4.605
  486   3HZ   LYS  78          HZ3       LYS  78 -12.635  -1.484  -3.043
  487    H    PHE  79           HN       PHE  79  -9.143   0.649  -5.490
  488    HA   PHE  79           HA       PHE  79 -11.133  -1.178  -6.132
  489   1HB   PHE  79          HB2       PHE  79 -11.539   1.219  -5.664
  490   2HB   PHE  79          HB1       PHE  79 -10.805   1.634  -7.203
  491    HD1  PHE  79           HD1      PHE  79 -12.049   1.606  -9.185
  492    HD2  PHE  79           HD2      PHE  79 -13.652  -0.153  -5.656
  493    HE1  PHE  79           HE1      PHE  79 -14.232   1.378 -10.295
  494    HE2  PHE  79           HE2      PHE  79 -15.838  -0.385  -6.761
  495    HZ   PHE  79           HZ       PHE  79 -16.131   0.381  -9.083
  496    H    GLU  80           HN       GLU  80  -8.310  -0.476  -7.901
  497    HA   GLU  80           HA       GLU  80  -9.522  -1.000 -10.498
  498   1HB   GLU  80          HB2       GLU  80  -7.793   0.735 -10.313
  499   2HB   GLU  80          HB1       GLU  80  -6.642  -0.471  -9.754
  500   1HG   GLU  80          HG2       GLU  80  -6.803  -1.630 -11.892
  501   2HG   GLU  80          HG1       GLU  80  -7.973  -0.437 -12.454
  502    H    GLU  81           HN       GLU  81  -7.819  -2.692  -8.015
  503    HA   GLU  81           HA       GLU  81  -7.100  -4.882  -9.805
  504   1HB   GLU  81          HB2       GLU  81  -5.517  -3.998  -8.008
  505   2HB   GLU  81          HB1       GLU  81  -6.606  -4.719  -6.832
  506   1HG   GLU  81          HG2       GLU  81  -4.736  -6.184  -7.269
  507   2HG   GLU  81          HG1       GLU  81  -6.235  -6.917  -7.837
  508    H    LEU  82           HN       LEU  82  -8.584  -4.546  -6.616
  509    HA   LEU  82           HA       LEU  82 -10.414  -5.462  -5.659
  510   1HB   LEU  82          HB2       LEU  82 -11.140  -6.443  -8.416
  511   2HB   LEU  82          HB1       LEU  82 -12.182  -6.360  -7.024
  512    HG   LEU  82           HG       LEU  82 -12.869  -4.531  -8.233
  513   1HD1  LEU  82          HD11      LEU  82 -12.206  -3.916  -5.912
  514   2HD1  LEU  82          HD12      LEU  82 -12.195  -2.572  -7.052
  515   3HD1  LEU  82          HD13      LEU  82 -10.678  -3.324  -6.562
  516   1HD2  LEU  82          HD21      LEU  82 -10.099  -3.581  -8.794
  517   2HD2  LEU  82          HD22      LEU  82 -11.594  -3.235  -9.660
  518   3HD2  LEU  82          HD23      LEU  82 -10.838  -4.821  -9.802
  519    H    LYS  83           HN       LYS  83  -7.966  -7.170  -7.069
  520    HA   LYS  83           HA       LYS  83  -9.002  -9.770  -6.214
  521   1HB   LYS  83          HB2       LYS  83  -6.461  -9.288  -7.746
  522   2HB   LYS  83          HB1       LYS  83  -7.348 -10.791  -7.585
  523   1HG   LYS  83          HG2       LYS  83  -8.488  -8.393  -8.982
  524   2HG   LYS  83          HG1       LYS  83  -7.486  -9.585  -9.810
  525   1HD   LYS  83          HD2       LYS  83  -9.593 -10.412 -10.225
  526   2HD   LYS  83          HD1       LYS  83  -9.173 -11.287  -8.750
  527   1HE   LYS  83          HE2       LYS  83 -10.322  -9.450  -7.478
  528   2HE   LYS  83          HE1       LYS  83 -10.922  -8.854  -9.022
  529   1HZ   LYS  83          HZ1       LYS  83 -12.546 -10.273  -7.941
  530   2HZ   LYS  83          HZ2       LYS  83 -11.440 -11.551  -7.891
  531   3HZ   LYS  83          HZ3       LYS  83 -12.008 -10.985  -9.379
  532    H    ILE  84           HN       ILE  84  -7.872  -7.511  -4.535
  533    HA   ILE  84           HA       ILE  84  -5.766  -9.059  -3.204
  534    HB   ILE  84           HB       ILE  84  -4.827  -6.916  -2.426
  535   1HG1  ILE  84          HG12      ILE  84  -6.952  -5.724  -4.221
  536   2HG1  ILE  84          HG11      ILE  84  -6.838  -5.545  -2.474
  537   1HG2  ILE  84          HG21      ILE  84  -4.904  -6.417  -5.312
  538   2HG2  ILE  84          HG22      ILE  84  -4.524  -8.080  -4.872
  539   3HG2  ILE  84          HG23      ILE  84  -3.533  -6.757  -4.256
  540   1HD1  ILE  84          HD11      ILE  84  -4.887  -4.478  -4.503
  541   2HD1  ILE  84          HD12      ILE  84  -4.736  -4.319  -2.752
  542   3HD1  ILE  84          HD13      ILE  84  -6.077  -3.543  -3.596
  543    HA   PRO  85           HA       PRO  85  -9.742  -8.146  -0.532
  544   1HB   PRO  85          HB2       PRO  85  -9.235 -11.057  -0.105
  545   2HB   PRO  85          HB1       PRO  85 -10.766 -10.183  -0.190
  546   1HG   PRO  85          HG2       PRO  85  -9.873 -11.650  -2.246
  547   2HG   PRO  85          HG1       PRO  85 -10.775 -10.145  -2.492
  548   1HD   PRO  85          HD2       PRO  85  -7.896 -10.706  -2.891
  549   2HD   PRO  85          HD1       PRO  85  -8.938  -9.495  -3.661
  550    H    LYS  86           HN       LYS  86  -7.400 -10.700   0.319
  551    HA   LYS  86           HA       LYS  86  -6.143  -9.053   2.319
  552   1HB   LYS  86          HB2       LYS  86  -6.718 -10.570   4.206
  553   2HB   LYS  86          HB1       LYS  86  -8.096  -9.676   3.579
  554   1HG   LYS  86          HG2       LYS  86  -8.832 -11.637   2.346
  555   2HG   LYS  86          HG1       LYS  86  -7.428 -12.538   2.919
  556   1HD   LYS  86          HD2       LYS  86  -9.553 -11.343   4.698
  557   2HD   LYS  86          HD1       LYS  86  -9.495 -13.033   4.193
  558   1HE   LYS  86          HE2       LYS  86  -7.370 -11.593   5.776
  559   2HE   LYS  86          HE1       LYS  86  -8.557 -12.717   6.435
  560   1HZ   LYS  86          HZ1       LYS  86  -6.454 -13.369   4.441
  561   2HZ   LYS  86          HZ2       LYS  86  -7.616 -14.453   5.021
  562   3HZ   LYS  86          HZ3       LYS  86  -6.455 -13.818   6.073
  563    H    ASP  87           HN       ASP  87  -5.671 -11.017  -0.044
  564    HA   ASP  87           HA       ASP  87  -3.649 -12.676   1.309
  565   1HB   ASP  87          HB2       ASP  87  -5.044 -13.163  -1.332
  566   2HB   ASP  87          HB1       ASP  87  -3.793 -14.190  -0.637
  567    H    TYR  88           HN       TYR  88  -4.284 -10.410  -1.270
  568    HA   TYR  88           HA       TYR  88  -1.663 -10.636  -2.427
  569   1HB   TYR  88          HB2       TYR  88  -3.989  -8.785  -2.874
  570   2HB   TYR  88          HB1       TYR  88  -2.437  -8.521  -3.663
  571    HD1  TYR  88           HD1      TYR  88  -4.536 -11.551  -3.000
  572    HD2  TYR  88           HD2      TYR  88  -2.509  -9.158  -5.875
  573    HE1  TYR  88           HE1      TYR  88  -5.169 -13.143  -4.762
  574    HE2  TYR  88           HE2      TYR  88  -3.139 -10.744  -7.647
  575    HH   TYR  88           HH       TYR  88  -5.470 -13.165  -7.204
  576    H    VAL  89           HN       VAL  89   0.037  -9.219  -2.279
  577    HA   VAL  89           HA       VAL  89  -0.153  -7.093  -0.266
  578    HB   VAL  89           HB       VAL  89   0.772  -9.100   0.820
  579   1HG1  VAL  89          HG11      VAL  89   3.045  -8.851  -1.144
  580   2HG1  VAL  89          HG12      VAL  89   1.792 -10.089  -1.200
  581   3HG1  VAL  89          HG13      VAL  89   2.904 -10.022   0.167
  582   1HG2  VAL  89          HG21      VAL  89   2.368  -6.614   0.485
  583   2HG2  VAL  89          HG22      VAL  89   3.104  -7.961   1.353
  584   3HG2  VAL  89          HG23      VAL  89   1.584  -7.274   1.922
  585    H    VAL  90           HN       VAL  90   0.677  -5.232  -0.963
  586    HA   VAL  90           HA       VAL  90   2.197  -5.165  -3.416
  587    HB   VAL  90           HB       VAL  90   1.465  -2.814  -1.653
  588   1HG1  VAL  90          HG11      VAL  90   2.326  -3.057  -4.543
  589   2HG1  VAL  90          HG12      VAL  90   3.186  -2.266  -3.219
  590   3HG1  VAL  90          HG13      VAL  90   1.676  -1.583  -3.818
  591   1HG2  VAL  90          HG21      VAL  90  -0.138  -4.367  -3.623
  592   2HG2  VAL  90          HG22      VAL  90  -0.326  -2.613  -3.588
  593   3HG2  VAL  90          HG23      VAL  90  -0.640  -3.563  -2.135
  594    H    GLN  91           HN       GLN  91   4.285  -4.465  -3.623
  595    HA   GLN  91           HA       GLN  91   5.900  -4.777  -1.235
  596   1HB   GLN  91          HB2       GLN  91   6.318  -5.806  -3.645
  597   2HB   GLN  91          HB1       GLN  91   7.128  -4.265  -3.904
  598   1HG   GLN  91          HG2       GLN  91   7.951  -5.347  -1.396
  599   2HG   GLN  91          HG1       GLN  91   8.124  -6.579  -2.646
  600   1HE2  GLN  91          HE21      GLN  91   9.174  -3.475  -1.511
  601   2HE2  GLN  91          HE22      GLN  91  10.548  -3.332  -2.548
  602    H    VAL  92           HN       VAL  92   7.335  -3.232  -0.500
  603    HA   VAL  92           HA       VAL  92   7.046  -0.540  -1.642
  604    HB   VAL  92           HB       VAL  92   7.097   0.139   0.916
  605   1HG1  VAL  92          HG11      VAL  92   4.482  -0.302   0.848
  606   2HG1  VAL  92          HG12      VAL  92   4.840  -0.545  -0.870
  607   3HG1  VAL  92          HG13      VAL  92   5.247   0.988  -0.090
  608   1HG2  VAL  92          HG21      VAL  92   5.812  -2.578   0.921
  609   2HG2  VAL  92          HG22      VAL  92   5.739  -1.414   2.236
  610   3HG2  VAL  92          HG23      VAL  92   7.282  -2.100   1.756
  611    H    ILE  93           HN       ILE  93   8.835   0.796  -1.414
  612    HA   ILE  93           HA       ILE  93  11.190  -0.401  -0.122
  613    HB   ILE  93           HB       ILE  93  11.543   1.494  -2.393
  614   1HG1  ILE  93          HG12      ILE  93  11.071  -1.477  -2.724
  615   2HG1  ILE  93          HG11      ILE  93   9.974  -0.207  -3.257
  616   1HG2  ILE  93          HG21      ILE  93  13.606   0.210  -2.697
  617   2HG2  ILE  93          HG22      ILE  93  13.130  -0.851  -1.371
  618   3HG2  ILE  93          HG23      ILE  93  13.461   0.854  -1.061
  619   1HD1  ILE  93          HD11      ILE  93  12.775  -0.636  -4.271
  620   2HD1  ILE  93          HD12      ILE  93  11.638   0.592  -4.830
  621   3HD1  ILE  93          HD13      ILE  93  11.293  -1.118  -5.095
  622    H    VAL  94           HN       VAL  94  11.881   0.731   1.482
  623    HA   VAL  94           HA       VAL  94  11.567   3.652   1.501
  624    HB   VAL  94           HB       VAL  94   9.992   3.110   3.108
  625   1HG1  VAL  94          HG11      VAL  94  10.317   0.698   3.055
  626   2HG1  VAL  94          HG12      VAL  94  10.198   1.271   4.719
  627   3HG1  VAL  94          HG13      VAL  94  11.772   0.856   4.039
  628   1HG2  VAL  94          HG21      VAL  94  12.398   3.041   4.908
  629   2HG2  VAL  94          HG22      VAL  94  10.825   3.788   5.192
  630   3HG2  VAL  94          HG23      VAL  94  11.942   4.499   4.028
  631    H    SER  95           HN       SER  95  13.607   4.225   1.018
  632    HA   SER  95           HA       SER  95  15.758   3.178   2.736
  633   1HB   SER  95          HB2       SER  95  16.021   2.638   0.332
  634   2HB   SER  95          HB1       SER  95  16.004   4.362  -0.040
  635    HG   SER  95           HG       SER  95  17.860   4.504   1.416
  636    H    GLN  96           HN       GLN  96  13.965   5.369   3.399
  637    HA   GLN  96           HA       GLN  96  15.954   7.537   3.568
  638   1HB   GLN  96          HB2       GLN  96  12.997   8.068   3.554
  639   2HB   GLN  96          HB1       GLN  96  14.314   9.186   3.243
  640   1HG   GLN  96          HG2       GLN  96  14.763   8.111   1.118
  641   2HG   GLN  96          HG1       GLN  96  13.495   6.928   1.431
  642   1HE2  GLN  96          HE21      GLN  96  13.786   8.850  -0.751
  643   2HE2  GLN  96          HE22      GLN  96  12.354   9.815  -0.729
  644    HA   PRO  97           HA       PRO  97  14.198   6.264   7.773
  645   1HB   PRO  97          HB2       PRO  97  16.251   4.865   8.784
  646   2HB   PRO  97          HB1       PRO  97  15.038   4.109   7.742
  647   1HG   PRO  97          HG2       PRO  97  17.785   5.084   7.051
  648   2HG   PRO  97          HG1       PRO  97  16.978   3.580   6.570
  649   1HD   PRO  97          HD2       PRO  97  17.140   5.787   4.965
  650   2HD   PRO  97          HD1       PRO  97  15.827   4.597   4.868
  651    H    VAL  98           HN       VAL  98  17.198   7.599   6.623
  652    HA   VAL  98           HA       VAL  98  17.797   8.810   9.209
  653    HB   VAL  98           HB       VAL  98  19.657   7.840   7.937
  654   1HG1  VAL  98          HG11      VAL  98  18.847   8.217   5.683
  655   2HG1  VAL  98          HG12      VAL  98  20.448   8.931   5.882
  656   3HG1  VAL  98          HG13      VAL  98  19.015   9.959   5.891
  657   1HG2  VAL  98          HG21      VAL  98  20.109   9.673   9.473
  658   2HG2  VAL  98          HG22      VAL  98  19.804  10.842   8.190
  659   3HG2  VAL  98          HG23      VAL  98  21.186   9.753   8.078
  660    H    GLN  99           HN       GLN  99  16.824   9.729   5.942
  661    HA   GLN  99           HA       GLN  99  16.298  12.446   6.958
  662   1HB   GLN  99          HB2       GLN  99  16.791  13.317   4.715
  663   2HB   GLN  99          HB1       GLN  99  18.183  12.504   5.414
  664   1HG   GLN  99          HG2       GLN  99  17.708  10.523   4.070
  665   2HG   GLN  99          HG1       GLN  99  16.307  11.334   3.372
  666   1HE2  GLN  99          HE21      GLN  99  17.118  11.184   1.289
  667   2HE2  GLN  99          HE22      GLN  99  18.440  12.151   0.738
  668    H    ASN 100           HN       ASN 100  14.323  13.277   6.603
  669    HA   ASN 100           HA       ASN 100  12.101  13.343   6.121
  670   1HB   ASN 100          HB2       ASN 100  13.020  13.763   3.861
  671   2HB   ASN 100          HB1       ASN 100  12.988  12.031   3.542
  672   1HD2  ASN 100          HD21      ASN 100  11.020  11.002   3.225
  673   2HD2  ASN 100          HD22      ASN 100   9.569  11.876   2.888
  Start of MODEL    3
    1    H    GLY  21           H        GLY  21 -20.144   0.958   0.097
    2   1HA   GLY  21          HA1       GLY  21 -20.557  -0.758   1.748
    3   2HA   GLY  21          HA2       GLY  21 -21.692  -1.517   0.640
    4    H    TYR  22           HN       TYR  22 -18.323  -0.830   1.285
    5    HA   TYR  22           HA       TYR  22 -17.577  -3.149  -0.307
    6   1HB   TYR  22          HB2       TYR  22 -16.378  -0.410  -0.767
    7   2HB   TYR  22          HB1       TYR  22 -15.753  -1.908  -1.446
    8    HD1  TYR  22           HD1      TYR  22 -18.435   0.580  -1.606
    9    HD2  TYR  22           HD2      TYR  22 -16.912  -3.033  -3.260
   10    HE1  TYR  22           HE1      TYR  22 -19.938   0.837  -3.536
   11    HE2  TYR  22           HE2      TYR  22 -18.410  -2.786  -5.195
   12    HH   TYR  22           HH       TYR  22 -20.069   0.088  -5.880
   13    H    GLU  23           HN       GLU  23 -15.898  -4.259   0.540
   14    HA   GLU  23           HA       GLU  23 -14.345  -2.984   2.690
   15   1HB   GLU  23          HB2       GLU  23 -16.045  -4.440   3.691
   16   2HB   GLU  23          HB1       GLU  23 -15.485  -5.786   2.708
   17   1HG   GLU  23          HG2       GLU  23 -14.657  -5.959   4.979
   18   2HG   GLU  23          HG1       GLU  23 -13.331  -5.731   3.840
   19    H    CYS  24           HN       CYS  24 -12.223  -3.077   2.336
   20    HA   CYS  24           HA       CYS  24 -11.112  -5.371   0.897
   21   1HB   CYS  24          HB2       CYS  24 -10.302  -2.551   0.190
   22   2HB   CYS  24          HB1       CYS  24  -9.904  -4.036  -0.666
   23    HG   CYS  24           HG       CYS  24 -12.240  -4.374  -1.915
   24    H    GLN  25           HN       GLN  25  -8.937  -5.815   1.358
   25    HA   GLN  25           HA       GLN  25  -7.506  -4.148   3.258
   26   1HB   GLN  25          HB2       GLN  25  -8.213  -7.028   3.867
   27   2HB   GLN  25          HB1       GLN  25  -7.125  -6.024   4.815
   28   1HG   GLN  25          HG2       GLN  25  -8.927  -4.557   5.425
   29   2HG   GLN  25          HG1       GLN  25 -10.036  -5.414   4.357
   30   1HE2  GLN  25          HE21      GLN  25  -7.645  -6.982   6.392
   31   2HE2  GLN  25          HE22      GLN  25  -8.775  -7.734   7.459
   32    H    LEU  26           HN       LEU  26  -5.519  -3.982   2.453
   33    HA   LEU  26           HA       LEU  26  -4.448  -6.251   0.891
   34   1HB   LEU  26          HB2       LEU  26  -4.891  -3.797  -0.050
   35   2HB   LEU  26          HB1       LEU  26  -3.301  -3.523   0.633
   36    HG   LEU  26           HG       LEU  26  -3.920  -5.669  -1.395
   37   1HD1  LEU  26          HD11      LEU  26  -2.420  -3.965  -2.760
   38   2HD1  LEU  26          HD12      LEU  26  -3.190  -2.813  -1.675
   39   3HD1  LEU  26          HD13      LEU  26  -4.176  -3.837  -2.714
   40   1HD2  LEU  26          HD21      LEU  26  -1.992  -6.340  -0.281
   41   2HD2  LEU  26          HD22      LEU  26  -1.413  -4.689  -0.079
   42   3HD2  LEU  26          HD23      LEU  26  -1.370  -5.452  -1.669
   43    H    ARG  27           HN       ARG  27  -2.413  -7.035   1.282
   44    HA   ARG  27           HA       ARG  27  -1.281  -6.350   3.853
   45   1HB   ARG  27          HB2       ARG  27  -0.473  -8.407   1.794
   46   2HB   ARG  27          HB1       ARG  27   0.265  -8.242   3.381
   47   1HG   ARG  27          HG2       ARG  27  -1.809  -8.822   4.456
   48   2HG   ARG  27          HG1       ARG  27  -2.646  -8.846   2.902
   49   1HD   ARG  27          HD2       ARG  27  -2.137 -11.106   3.615
   50   2HD   ARG  27          HD1       ARG  27  -1.209 -10.699   2.173
   51    HE   ARG  27           HE       ARG  27   0.433 -10.101   4.290
   52   1HH1  ARG  27          HH11      ARG  27  -1.215 -12.946   3.123
   53   2HH1  ARG  27          HH12      ARG  27  -0.026 -14.042   3.741
   54   1HH2  ARG  27          HH21      ARG  27   2.000 -11.541   5.104
   55   2HH2  ARG  27          HH22      ARG  27   1.799 -13.245   4.867
   56    H    LEU  28           HN       LEU  28   0.654  -5.328   4.220
   57    HA   LEU  28           HA       LEU  28   2.002  -4.216   1.828
   58   1HB   LEU  28          HB2       LEU  28   1.664  -3.109   4.607
   59   2HB   LEU  28          HB1       LEU  28   2.729  -2.405   3.406
   60    HG   LEU  28           HG       LEU  28   0.769  -1.096   3.368
   61   1HD1  LEU  28          HD11      LEU  28  -0.045  -1.372   1.120
   62   2HD1  LEU  28          HD12      LEU  28   0.536  -3.036   1.079
   63   3HD1  LEU  28          HD13      LEU  28   1.687  -1.702   1.169
   64   1HD2  LEU  28          HD21      LEU  28  -0.811  -3.655   3.148
   65   2HD2  LEU  28          HD22      LEU  28  -1.477  -2.026   3.058
   66   3HD2  LEU  28          HD23      LEU  28  -0.731  -2.592   4.551
   67    H    ARG  29           HN       ARG  29   3.916  -5.233   1.504
   68    HA   ARG  29           HA       ARG  29   5.457  -6.193   3.800
   69   1HB   ARG  29          HB2       ARG  29   5.185  -7.706   1.882
   70   2HB   ARG  29          HB1       ARG  29   5.929  -6.515   0.824
   71   1HG   ARG  29          HG2       ARG  29   8.018  -6.711   2.106
   72   2HG   ARG  29          HG1       ARG  29   7.260  -7.951   3.108
   73   1HD   ARG  29          HD2       ARG  29   7.682  -8.110   0.126
   74   2HD   ARG  29          HD1       ARG  29   8.653  -8.931   1.347
   75    HE   ARG  29           HE       ARG  29   5.946  -9.620   1.685
   76   1HH1  ARG  29          HH11      ARG  29   8.611 -10.158  -0.505
   77   2HH1  ARG  29          HH12      ARG  29   8.036 -11.708  -1.021
   78   1HH2  ARG  29          HH21      ARG  29   5.189 -11.657   1.007
   79   2HH2  ARG  29          HH22      ARG  29   6.093 -12.559  -0.164
   80    H    LEU  30           HN       LEU  30   6.448  -4.448   4.743
   81    HA   LEU  30           HA       LEU  30   7.754  -2.500   2.996
   82   1HB   LEU  30          HB2       LEU  30   7.883  -1.877   5.789
   83   2HB   LEU  30          HB1       LEU  30   7.249  -0.913   4.473
   84    HG   LEU  30           HG       LEU  30   5.623  -3.128   5.678
   85   1HD1  LEU  30          HD11      LEU  30   5.767  -0.290   6.656
   86   2HD1  LEU  30          HD12      LEU  30   6.364  -1.708   7.518
   87   3HD1  LEU  30          HD13      LEU  30   4.637  -1.527   7.206
   88   1HD2  LEU  30          HD21      LEU  30   4.885  -0.555   4.310
   89   2HD2  LEU  30          HD22      LEU  30   3.759  -1.765   4.917
   90   3HD2  LEU  30          HD23      LEU  30   4.842  -2.161   3.583
   91    H    SER  31           HN       SER  31   9.709  -1.454   3.752
   92    HA   SER  31           HA       SER  31  11.943  -1.512   4.108
   93   1HB   SER  31          HB2       SER  31  12.730  -2.515   6.175
   94   2HB   SER  31          HB1       SER  31  11.179  -1.731   6.468
   95    HG   SER  31           HG       SER  31  11.549  -3.975   7.298
   96    H    THR  32           HN       THR  32  10.704  -4.759   4.568
   97    HA   THR  32           HA       THR  32  11.663  -5.966   2.307
   98    HB   THR  32           HB       THR  32  13.608  -7.237   3.811
   99    HG1  THR  32           HG1      THR  32  14.926  -5.366   4.467
  100   1HG2  THR  32          HG21      THR  32  13.857  -5.029   1.771
  101   2HG2  THR  32          HG22      THR  32  13.859  -6.766   1.478
  102   3HG2  THR  32          HG23      THR  32  15.208  -6.014   2.328
  103    H    GLY  33           HN       GLY  33   9.559  -6.035   4.388
  104   1HA   GLY  33          HA2       GLY  33   8.576  -8.473   4.349
  105   2HA   GLY  33          HA1       GLY  33   9.894  -8.737   5.484
  106    H    LYS  34           HN       LYS  34   8.306  -5.638   5.549
  107    HA   LYS  34           HA       LYS  34   7.266  -6.306   8.187
  108   1HB   LYS  34          HB2       LYS  34   8.505  -4.074   7.266
  109   2HB   LYS  34          HB1       LYS  34   6.831  -3.603   7.061
  110   1HG   LYS  34          HG2       LYS  34   8.293  -4.258   9.578
  111   2HG   LYS  34          HG1       LYS  34   7.391  -2.807   9.175
  112   1HD   LYS  34          HD2       LYS  34   6.194  -5.536   9.605
  113   2HD   LYS  34          HD1       LYS  34   6.267  -4.263  10.825
  114   1HE   LYS  34          HE2       LYS  34   5.040  -3.733   8.160
  115   2HE   LYS  34          HE1       LYS  34   4.141  -4.569   9.410
  116   1HZ   LYS  34          HZ1       LYS  34   5.314  -1.857   9.593
  117   2HZ   LYS  34          HZ2       LYS  34   4.604  -2.670  10.895
  118   3HZ   LYS  34          HZ3       LYS  34   3.669  -2.248   9.551
  119    H    ASP  35           HN       ASP  35   5.664  -7.748   7.296
  120    HA   ASP  35           HA       ASP  35   3.620  -6.767   5.569
  121   1HB   ASP  35          HB2       ASP  35   4.356  -9.121   5.535
  122   2HB   ASP  35          HB1       ASP  35   3.741  -9.331   7.176
  123    H    LEU  36           HN       LEU  36   2.157  -5.542   6.139
  124    HA   LEU  36           HA       LEU  36   0.555  -5.997   8.514
  125   1HB   LEU  36          HB2       LEU  36   2.246  -4.311   9.192
  126   2HB   LEU  36          HB1       LEU  36   1.749  -3.294   7.854
  127    HG   LEU  36           HG       LEU  36  -0.312  -4.115   9.849
  128   1HD1  LEU  36          HD11      LEU  36   0.267  -2.200  11.263
  129   2HD1  LEU  36          HD12      LEU  36   1.718  -1.932  10.298
  130   3HD1  LEU  36          HD13      LEU  36   1.549  -3.411  11.242
  131   1HD2  LEU  36          HD21      LEU  36  -1.123  -1.821   9.337
  132   2HD2  LEU  36          HD22      LEU  36  -1.053  -2.880   7.930
  133   3HD2  LEU  36          HD23      LEU  36   0.195  -1.659   8.176
  134    H    LYS  37           HN       LYS  37  -1.402  -6.240   7.669
  135    HA   LYS  37           HA       LYS  37  -1.978  -5.059   5.099
  136   1HB   LYS  37          HB2       LYS  37  -3.734  -6.551   4.921
  137   2HB   LYS  37          HB1       LYS  37  -2.549  -7.448   5.847
  138   1HG   LYS  37          HG2       LYS  37  -3.753  -6.919   7.910
  139   2HG   LYS  37          HG1       LYS  37  -4.958  -6.034   6.973
  140   1HD   LYS  37          HD2       LYS  37  -5.744  -8.281   7.509
  141   2HD   LYS  37          HD1       LYS  37  -5.532  -8.082   5.768
  142   1HE   LYS  37          HE2       LYS  37  -3.382  -9.228   5.890
  143   2HE   LYS  37          HE1       LYS  37  -3.564  -9.401   7.636
  144   1HZ   LYS  37          HZ1       LYS  37  -5.345 -10.599   5.582
  145   2HZ   LYS  37          HZ2       LYS  37  -5.525 -10.765   7.256
  146   3HZ   LYS  37          HZ3       LYS  37  -4.175 -11.429   6.481
  147    H    LEU  38           HN       LEU  38  -2.815  -3.151   4.866
  148    HA   LEU  38           HA       LEU  38  -4.278  -1.916   7.071
  149   1HB   LEU  38          HB2       LEU  38  -2.671  -0.414   6.292
  150   2HB   LEU  38          HB1       LEU  38  -2.901  -0.893   4.616
  151    HG   LEU  38           HG       LEU  38  -5.121   0.269   4.661
  152   1HD1  LEU  38          HD11      LEU  38  -5.584   1.835   6.448
  153   2HD1  LEU  38          HD12      LEU  38  -4.114   1.347   7.291
  154   3HD1  LEU  38          HD13      LEU  38  -5.441   0.204   7.101
  155   1HD2  LEU  38          HD21      LEU  38  -4.196   2.441   4.352
  156   2HD2  LEU  38          HD22      LEU  38  -3.001   1.272   3.794
  157   3HD2  LEU  38          HD23      LEU  38  -2.803   2.059   5.360
  158    H    VAL  39           HN       VAL  39  -6.406  -1.445   6.992
  159    HA   VAL  39           HA       VAL  39  -8.015  -2.746   5.028
  160    HB   VAL  39           HB       VAL  39  -8.733  -2.567   7.375
  161   1HG1  VAL  39          HG11      VAL  39  -7.859  -0.302   7.805
  162   2HG1  VAL  39          HG12      VAL  39  -9.543  -0.482   8.294
  163   3HG1  VAL  39          HG13      VAL  39  -9.145   0.365   6.800
  164   1HG2  VAL  39          HG21      VAL  39 -10.402  -2.941   5.644
  165   2HG2  VAL  39          HG22      VAL  39 -10.580  -1.201   5.420
  166   3HG2  VAL  39          HG23      VAL  39 -11.067  -1.947   6.942
  167    H    VAL  40           HN       VAL  40  -8.709  -1.978   3.164
  168    HA   VAL  40           HA       VAL  40  -8.916   0.928   2.793
  169    HB   VAL  40           HB       VAL  40  -8.215   0.536   0.393
  170   1HG1  VAL  40          HG11      VAL  40  -6.741   1.597   2.008
  171   2HG1  VAL  40          HG12      VAL  40  -5.822   0.563   0.915
  172   3HG1  VAL  40          HG13      VAL  40  -6.179   0.017   2.553
  173   1HG2  VAL  40          HG21      VAL  40  -8.532  -1.911   0.413
  174   2HG2  VAL  40          HG22      VAL  40  -7.156  -2.056   1.508
  175   3HG2  VAL  40          HG23      VAL  40  -6.922  -1.435  -0.128
  176    H    ARG  41           HN       ARG  41 -10.276   1.462   0.842
  177    HA   ARG  41           HA       ARG  41 -12.208  -0.540   0.070
  178   1HB   ARG  41          HB2       ARG  41 -13.106   0.287   2.192
  179   2HB   ARG  41          HB1       ARG  41 -13.019   1.935   1.596
  180   1HG   ARG  41          HG2       ARG  41 -14.650  -0.119   0.159
  181   2HG   ARG  41          HG1       ARG  41 -15.285   0.706   1.583
  182   1HD   ARG  41          HD2       ARG  41 -14.599   2.870   0.357
  183   2HD   ARG  41          HD1       ARG  41 -14.523   1.851  -1.080
  184    HE   ARG  41           HE       ARG  41 -16.969   1.315  -0.012
  185   1HH1  ARG  41          HH11      ARG  41 -15.324   4.228  -1.003
  186   2HH1  ARG  41          HH12      ARG  41 -16.782   5.051  -1.445
  187   1HH2  ARG  41          HH21      ARG  41 -18.888   2.395  -0.591
  188   2HH2  ARG  41          HH22      ARG  41 -18.806   4.011  -1.212
  189    H    SER  42           HN       SER  42 -11.660  -0.263  -2.018
  190    HA   SER  42           HA       SER  42 -11.215   0.757  -4.023
  191   1HB   SER  42          HB2       SER  42 -14.042   1.641  -3.442
  192   2HB   SER  42          HB1       SER  42 -13.311   1.510  -5.043
  193    HG   SER  42           HG       SER  42 -14.558  -0.342  -4.444
  194    H    THR  43           HN       THR  43 -12.806   3.237  -1.976
  195    HA   THR  43           HA       THR  43 -11.746   5.378  -3.544
  196    HB   THR  43           HB       THR  43 -12.933   5.480  -0.762
  197    HG1  THR  43           HG1      THR  43 -14.254   4.633  -2.625
  198   1HG2  THR  43          HG21      THR  43 -12.425   7.613  -2.835
  199   2HG2  THR  43          HG22      THR  43 -11.732   7.504  -1.217
  200   3HG2  THR  43          HG23      THR  43 -13.451   7.842  -1.419
  201    H    ASP  44           HN       ASP  44 -10.360   3.302  -1.331
  202    HA   ASP  44           HA       ASP  44  -8.540   5.239  -0.159
  203   1HB   ASP  44          HB2       ASP  44  -8.914   2.268   0.157
  204   2HB   ASP  44          HB1       ASP  44  -7.542   3.114   0.867
  205    H    THR  45           HN       THR  45  -7.804   2.060  -1.569
  206    HA   THR  45           HA       THR  45  -6.163   1.362  -2.997
  207    HB   THR  45           HB       THR  45  -5.779   2.581  -4.970
  208    HG1  THR  45           HG1      THR  45  -5.138   4.577  -4.396
  209   1HG2  THR  45          HG21      THR  45  -8.190   1.928  -4.445
  210   2HG2  THR  45          HG22      THR  45  -7.937   3.096  -5.739
  211   3HG2  THR  45          HG23      THR  45  -8.467   3.641  -4.147
  212    H    VAL  46           HN       VAL  46  -3.915   1.508  -3.465
  213    HA   VAL  46           HA       VAL  46  -2.163   1.878  -1.569
  214    HB   VAL  46           HB       VAL  46  -1.778   2.504  -4.471
  215   1HG1  VAL  46          HG11      VAL  46   0.690   2.403  -4.007
  216   2HG1  VAL  46          HG12      VAL  46   0.305   2.602  -2.297
  217   3HG1  VAL  46          HG13      VAL  46  -0.117   3.868  -3.448
  218   1HG2  VAL  46          HG21      VAL  46  -2.197   0.184  -3.801
  219   2HG2  VAL  46          HG22      VAL  46  -0.815   0.243  -2.703
  220   3HG2  VAL  46          HG23      VAL  46  -0.570   0.385  -4.446
  221    H    PHE  47           HN       PHE  47  -3.530   4.643  -3.267
  222    HA   PHE  47           HA       PHE  47  -1.753   6.617  -2.269
  223   1HB   PHE  47          HB2       PHE  47  -3.211   7.166  -4.118
  224   2HB   PHE  47          HB1       PHE  47  -4.636   6.778  -3.182
  225    HD1  PHE  47           HD1      PHE  47  -5.505   8.325  -1.538
  226    HD2  PHE  47           HD2      PHE  47  -2.003   9.237  -3.774
  227    HE1  PHE  47           HE1      PHE  47  -5.675  10.677  -0.835
  228    HE2  PHE  47           HE2      PHE  47  -2.164  11.591  -3.076
  229    HZ   PHE  47           HZ       PHE  47  -4.001  12.313  -1.603
  230    H    HIS  48           HN       HIS  48  -5.106   5.969  -1.222
  231    HA   HIS  48           HA       HIS  48  -4.707   7.260   1.271
  232   1HB   HIS  48          HB2       HIS  48  -6.760   5.224   0.415
  233   2HB   HIS  48          HB1       HIS  48  -6.799   6.100   1.944
  234    HD1  HIS  48           HD1      HIS  48  -7.342   6.575  -1.733
  235    HD2  HIS  48           HD2      HIS  48  -7.642   8.756   1.791
  236    HE1  HIS  48           HE1      HIS  48  -8.573   8.679  -2.348
  237    HE2  HIS  48           HE2      HIS  48  -8.818   9.944  -0.183
  238    H    MET  49           HN       MET  49  -4.543   3.937   0.130
  239    HA   MET  49           HA       MET  49  -4.078   2.596   2.469
  240   1HB   MET  49          HB2       MET  49  -4.064   1.818  -0.089
  241   2HB   MET  49          HB1       MET  49  -2.327   1.901   0.177
  242   1HG   MET  49          HG2       MET  49  -2.374   0.252   1.827
  243   2HG   MET  49          HG1       MET  49  -4.118   0.387   2.035
  244   1HE   MET  49          HE1       MET  49  -1.685   0.207  -0.803
  245   2HE   MET  49          HE2       MET  49  -2.231  -1.111  -1.837
  246   3HE   MET  49          HE3       MET  49  -1.296  -1.460  -0.383
  247    H    LYS  50           HN       LYS  50  -1.994   4.591   0.531
  248    HA   LYS  50           HA       LYS  50   0.375   4.179   2.058
  249   1HB   LYS  50          HB2       LYS  50  -0.452   5.988  -0.159
  250   2HB   LYS  50          HB1       LYS  50   0.869   6.535   0.859
  251   1HG   LYS  50          HG2       LYS  50   1.885   4.211   0.381
  252   2HG   LYS  50          HG1       LYS  50   0.746   4.171  -0.964
  253   1HD   LYS  50          HD2       LYS  50   2.919   6.197  -0.457
  254   2HD   LYS  50          HD1       LYS  50   2.831   5.029  -1.775
  255   1HE   LYS  50          HE2       LYS  50   0.963   7.354  -1.319
  256   2HE   LYS  50          HE1       LYS  50   2.228   7.261  -2.543
  257   1HZ   LYS  50          HZ1       LYS  50   0.043   6.766  -3.458
  258   2HZ   LYS  50          HZ2       LYS  50  -0.138   5.474  -2.380
  259   3HZ   LYS  50          HZ3       LYS  50   1.065   5.421  -3.570
  260    H    ARG  51           HN       ARG  51  -2.263   6.484   1.923
  261    HA   ARG  51           HA       ARG  51  -1.359   8.415   3.635
  262   1HB   ARG  51          HB2       ARG  51  -4.133   7.368   3.174
  263   2HB   ARG  51          HB1       ARG  51  -3.821   8.701   4.272
  264   1HG   ARG  51          HG2       ARG  51  -3.063   8.672   1.359
  265   2HG   ARG  51          HG1       ARG  51  -4.518   9.421   2.017
  266   1HD   ARG  51          HD2       ARG  51  -1.674  10.146   2.721
  267   2HD   ARG  51          HD1       ARG  51  -2.747  11.069   1.671
  268    HE   ARG  51           HE       ARG  51  -4.064  10.789   4.086
  269   1HH1  ARG  51          HH11      ARG  51  -1.101  12.234   2.942
  270   2HH1  ARG  51          HH12      ARG  51  -1.089  13.470   4.154
  271   1HH2  ARG  51          HH21      ARG  51  -4.051  12.415   5.680
  272   2HH2  ARG  51          HH22      ARG  51  -2.764  13.573   5.709
  273    H    ARG  52           HN       ARG  52  -3.448   5.689   4.498
  274    HA   ARG  52           HA       ARG  52  -3.120   5.948   7.283
  275   1HB   ARG  52          HB2       ARG  52  -4.250   3.891   5.456
  276   2HB   ARG  52          HB1       ARG  52  -3.881   3.402   7.103
  277   1HG   ARG  52          HG2       ARG  52  -6.213   4.101   6.828
  278   2HG   ARG  52          HG1       ARG  52  -5.339   5.121   7.975
  279   1HD   ARG  52          HD2       ARG  52  -5.010   6.795   6.206
  280   2HD   ARG  52          HD1       ARG  52  -5.924   5.782   5.091
  281    HE   ARG  52           HE       ARG  52  -7.624   6.142   7.176
  282   1HH1  ARG  52          HH11      ARG  52  -5.820   8.316   5.130
  283   2HH1  ARG  52          HH12      ARG  52  -6.981   9.595   5.252
  284   1HH2  ARG  52          HH21      ARG  52  -9.153   7.823   7.338
  285   2HH2  ARG  52          HH22      ARG  52  -8.873   9.315   6.506
  286    H    LEU  53           HN       LEU  53  -1.167   4.469   4.813
  287    HA   LEU  53           HA       LEU  53   0.250   2.633   6.407
  288   1HB   LEU  53          HB2       LEU  53   0.493   3.755   3.777
  289   2HB   LEU  53          HB1       LEU  53   2.068   3.683   4.544
  290    HG   LEU  53           HG       LEU  53   1.490   1.678   3.171
  291   1HD1  LEU  53          HD11      LEU  53   1.758   0.764   5.985
  292   2HD1  LEU  53          HD12      LEU  53   3.019   1.779   5.282
  293   3HD1  LEU  53          HD13      LEU  53   2.615   0.230   4.537
  294   1HD2  LEU  53          HD21      LEU  53  -0.785   1.634   5.043
  295   2HD2  LEU  53          HD22      LEU  53  -0.027   0.081   4.699
  296   3HD2  LEU  53          HD23      LEU  53  -0.667   1.059   3.380
  297    H    HIS  54           HN       HIS  54   1.273   5.927   5.423
  298    HA   HIS  54           HA       HIS  54   3.417   6.197   7.125
  299   1HB   HIS  54          HB2       HIS  54   2.977   7.918   5.506
  300   2HB   HIS  54          HB1       HIS  54   1.395   8.247   6.198
  301    HD1  HIS  54           HD1      HIS  54   1.503  10.506   7.192
  302    HD2  HIS  54           HD2      HIS  54   4.940   8.309   7.978
  303    HE1  HIS  54           HE1      HIS  54   2.898  11.956   8.700
  304    HE2  HIS  54           HE2      HIS  54   4.934  10.570   9.231
  305    H    ALA  55           HN       ALA  55  -0.025   6.595   7.756
  306    HA   ALA  55           HA       ALA  55   0.291   7.527  10.435
  307   1HB   ALA  55          HB1       ALA  55  -1.713   7.987   9.107
  308   2HB   ALA  55          HB2       ALA  55  -2.108   7.192  10.630
  309   3HB   ALA  55          HB3       ALA  55  -2.117   6.270   9.126
  310    H    ALA  56           HN       ALA  56   0.057   4.329   8.983
  311    HA   ALA  56           HA       ALA  56  -0.335   3.065  11.569
  312   1HB   ALA  56          HB1       ALA  56  -0.468   0.987  10.323
  313   2HB   ALA  56          HB2       ALA  56   0.029   1.819   8.850
  314   3HB   ALA  56          HB3       ALA  56  -1.517   2.209   9.603
  315    H    GLU  57           HN       GLU  57   2.130   2.883   8.974
  316    HA   GLU  57           HA       GLU  57   3.940   1.535  10.812
  317   1HB   GLU  57          HB2       GLU  57   4.837   2.320   8.090
  318   2HB   GLU  57          HB1       GLU  57   5.134   0.837   8.986
  319   1HG   GLU  57          HG2       GLU  57   2.587   1.599   7.574
  320   2HG   GLU  57          HG1       GLU  57   3.763   0.397   7.051
  321    H    GLY  58           HN       GLY  58   3.817   4.553   8.928
  322   1HA   GLY  58          HA2       GLY  58   4.658   6.544  10.158
  323   2HA   GLY  58          HA1       GLY  58   6.040   5.547  10.610
  324    H    VAL  59           HN       VAL  59   5.159   4.725   7.527
  325    HA   VAL  59           HA       VAL  59   7.374   6.218   6.403
  326    HB   VAL  59           HB       VAL  59   7.244   3.836   5.934
  327   1HG1  VAL  59          HG11      VAL  59   4.600   4.445   4.627
  328   2HG1  VAL  59          HG12      VAL  59   4.862   3.484   6.079
  329   3HG1  VAL  59          HG13      VAL  59   5.457   2.910   4.522
  330   1HG2  VAL  59          HG21      VAL  59   7.388   3.916   3.468
  331   2HG2  VAL  59          HG22      VAL  59   8.286   5.213   4.256
  332   3HG2  VAL  59          HG23      VAL  59   6.726   5.548   3.511
  333    H    GLU  60           HN       GLU  60   6.913   8.205   5.779
  334    HA   GLU  60           HA       GLU  60   4.371   9.124   4.971
  335   1HB   GLU  60          HB2       GLU  60   7.135  10.318   4.746
  336   2HB   GLU  60          HB1       GLU  60   5.689  11.171   4.233
  337   1HG   GLU  60          HG2       GLU  60   4.807  11.078   6.491
  338   2HG   GLU  60          HG1       GLU  60   6.224  10.170   7.019
  339    HA   PRO  61           HA       PRO  61   3.780   8.548   0.640
  340   1HB   PRO  61          HB2       PRO  61   4.484  11.445   0.311
  341   2HB   PRO  61          HB1       PRO  61   3.162  10.523  -0.418
  342   1HG   PRO  61          HG2       PRO  61   2.719  12.101   1.682
  343   2HG   PRO  61          HG1       PRO  61   1.899  10.537   1.525
  344   1HD   PRO  61          HD2       PRO  61   4.074  11.349   3.359
  345   2HD   PRO  61          HD1       PRO  61   2.852  10.080   3.550
  346    H    GLY  62           HN       GLY  62   6.396  10.980   0.963
  347   1HA   GLY  62          HA2       GLY  62   7.853  10.225  -1.277
  348   2HA   GLY  62          HA1       GLY  62   8.546  10.991   0.145
  349    H    SER  63           HN       SER  63   8.118   9.019   2.038
  350    HA   SER  63           HA       SER  63  10.218   7.159   1.365
  351   1HB   SER  63          HB2       SER  63   9.810   6.375   3.741
  352   2HB   SER  63          HB1       SER  63  10.286   8.063   3.571
  353    HG   SER  63           HG       SER  63   8.149   7.114   4.763
  354    H    GLN  64           HN       GLN  64   6.984   7.159   0.751
  355    HA   GLN  64           HA       GLN  64   6.585   4.313   1.261
  356   1HB   GLN  64          HB2       GLN  64   4.775   6.602   0.596
  357   2HB   GLN  64          HB1       GLN  64   4.235   4.957   0.309
  358   1HG   GLN  64          HG2       GLN  64   4.738   4.464   2.715
  359   2HG   GLN  64          HG1       GLN  64   5.035   6.190   2.928
  360   1HE2  GLN  64          HE21      GLN  64   3.288   7.635   2.737
  361   2HE2  GLN  64          HE22      GLN  64   1.657   7.095   2.895
  362    H    ARG  65           HN       ARG  65   8.144   3.660  -0.405
  363    HA   ARG  65           HA       ARG  65   7.284   4.121  -3.162
  364   1HB   ARG  65          HB2       ARG  65   9.674   2.607  -2.096
  365   2HB   ARG  65          HB1       ARG  65   9.363   2.973  -3.787
  366   1HG   ARG  65          HG2       ARG  65   9.544   5.361  -3.303
  367   2HG   ARG  65          HG1       ARG  65   9.864   4.990  -1.608
  368   1HD   ARG  65          HD2       ARG  65  11.937   5.442  -2.802
  369   2HD   ARG  65          HD1       ARG  65  11.879   3.766  -2.257
  370    HE   ARG  65           HE       ARG  65  10.889   3.788  -4.840
  371   1HH1  ARG  65          HH11      ARG  65  13.888   4.582  -3.241
  372   2HH1  ARG  65          HH12      ARG  65  14.868   4.188  -4.613
  373   1HH2  ARG  65          HH21      ARG  65  12.176   3.271  -6.645
  374   2HH2  ARG  65          HH22      ARG  65  13.897   3.445  -6.546
  375    H    TRP  66           HN       TRP  66   5.608   2.879  -3.732
  376    HA   TRP  66           HA       TRP  66   5.201   0.258  -2.619
  377   1HB   TRP  66          HB2       TRP  66   3.665   2.165  -4.236
  378   2HB   TRP  66          HB1       TRP  66   3.342   0.473  -4.602
  379    HD1  TRP  66           HD1      TRP  66   1.124  -0.013  -3.426
  380    HE1  TRP  66           HE1      TRP  66   0.224   0.240  -1.030
  381    HE3  TRP  66           HE3      TRP  66   5.031   2.547  -1.349
  382    HZ2  TRP  66           HZ2      TRP  66   1.055   1.369   1.406
  383    HZ3  TRP  66           HZ3      TRP  66   4.902   3.166   1.023
  384    HH2  TRP  66           HH2      TRP  66   2.955   2.594   2.374
  385    H    PHE  67           HN       PHE  67   5.447  -1.683  -3.519
  386    HA   PHE  67           HA       PHE  67   6.089  -1.979  -6.332
  387   1HB   PHE  67          HB2       PHE  67   8.022  -2.782  -4.155
  388   2HB   PHE  67          HB1       PHE  67   8.165  -3.259  -5.844
  389    HD1  PHE  67           HD1      PHE  67   9.005  -0.810  -3.418
  390    HD2  PHE  67           HD2      PHE  67   8.318  -1.374  -7.581
  391    HE1  PHE  67           HE1      PHE  67  10.260   1.251  -3.903
  392    HE2  PHE  67           HE2      PHE  67   9.572   0.685  -8.071
  393    HZ   PHE  67           HZ       PHE  67  10.544   2.000  -6.230
  394    H    PHE  68           HN       PHE  68   4.990  -3.693  -7.043
  395    HA   PHE  68           HA       PHE  68   4.513  -5.928  -5.181
  396   1HB   PHE  68          HB2       PHE  68   2.460  -4.617  -5.771
  397   2HB   PHE  68          HB1       PHE  68   2.716  -5.074  -7.452
  398    HD1  PHE  68           HD1      PHE  68   1.333  -6.040  -4.300
  399    HD2  PHE  68           HD2      PHE  68   2.688  -7.529  -8.048
  400    HE1  PHE  68           HE1      PHE  68   0.077  -8.121  -3.922
  401    HE2  PHE  68           HE2      PHE  68   1.433  -9.612  -7.679
  402    HZ   PHE  68           HZ       PHE  68   0.127  -9.911  -5.613
  403    H    SER  69           HN       SER  69   5.429  -7.775  -5.762
  404    HA   SER  69           HA       SER  69   6.345  -9.447  -6.997
  405   1HB   SER  69          HB2       SER  69   4.205  -9.463  -8.190
  406   2HB   SER  69          HB1       SER  69   4.786  -8.197  -9.271
  407    HG   SER  69           HG       SER  69   5.212 -10.874  -9.363
  408    H    GLY  70           HN       GLY  70   7.344  -6.432  -7.099
  409   1HA   GLY  70          HA2       GLY  70   9.646  -5.964  -7.590
  410   2HA   GLY  70          HA1       GLY  70   9.542  -7.079  -8.950
  411    H    ARG  71           HN       ARG  71   6.832  -5.048  -8.680
  412    HA   ARG  71           HA       ARG  71   7.980  -3.145 -10.611
  413   1HB   ARG  71          HB2       ARG  71   5.212  -4.362 -10.714
  414   2HB   ARG  71          HB1       ARG  71   5.840  -3.149 -11.820
  415   1HG   ARG  71          HG2       ARG  71   6.873  -5.958 -11.495
  416   2HG   ARG  71          HG1       ARG  71   5.896  -5.348 -12.832
  417   1HD   ARG  71          HD2       ARG  71   8.664  -4.413 -12.082
  418   2HD   ARG  71          HD1       ARG  71   8.259  -5.463 -13.438
  419    HE   ARG  71           HE       ARG  71   6.787  -3.080 -13.648
  420   1HH1  ARG  71          HH11      ARG  71  10.070  -4.233 -13.912
  421   2HH1  ARG  71          HH12      ARG  71  10.543  -3.006 -15.037
  422   1HH2  ARG  71          HH21      ARG  71   7.407  -1.465 -15.130
  423   2HH2  ARG  71          HH22      ARG  71   9.032  -1.434 -15.729
  424    HA   PRO  72           HA       PRO  72   6.415  -0.074  -7.842
  425   1HB   PRO  72          HB2       PRO  72   6.207   2.039  -9.535
  426   2HB   PRO  72          HB1       PRO  72   7.756   1.438  -8.933
  427   1HG   PRO  72          HG2       PRO  72   6.419   0.927 -11.562
  428   2HG   PRO  72          HG1       PRO  72   8.124   1.282 -11.223
  429   1HD   PRO  72          HD2       PRO  72   7.224  -1.229 -11.690
  430   2HD   PRO  72          HD1       PRO  72   8.581  -0.890 -10.596
  431    H    LEU  73           HN       LEU  73   4.400  -0.070  -7.073
  432    HA   LEU  73           HA       LEU  73   2.149  -0.269  -8.908
  433   1HB   LEU  73          HB2       LEU  73   2.667  -0.966  -6.154
  434   2HB   LEU  73          HB1       LEU  73   1.173  -0.058  -6.293
  435   1HD1  LEU  73          HD21      LEU  73   2.921  -3.099  -7.567
  436   2HD1  LEU  73          HD22      LEU  73   2.354  -2.257  -9.009
  437   3HD1  LEU  73          HD23      LEU  73   1.513  -3.701  -8.443
  438   1HD2  LEU  73          HD11      LEU  73  -0.083  -2.119  -5.530
  439   2HD2  LEU  73          HD12      LEU  73   1.455  -2.976  -5.428
  440   3HD2  LEU  73          HD13      LEU  73   0.146  -3.631  -6.409
  441    H    THR  74           HN       THR  74   0.372   1.138  -8.927
  442    HA   THR  74           HA       THR  74   1.079   3.910  -8.586
  443    HB   THR  74           HB       THR  74  -1.062   4.416  -9.612
  444    HG1  THR  74           HG1      THR  74  -2.457   2.628 -10.172
  445   1HG2  THR  74          HG21      THR  74   0.763   3.769 -11.103
  446   2HG2  THR  74          HG22      THR  74  -0.790   3.235 -11.747
  447   3HG2  THR  74          HG23      THR  74   0.286   2.077 -10.966
  448    H    ASP  75           HN       ASP  75  -0.853   5.335  -7.724
  449    HA   ASP  75           HA       ASP  75  -1.221   4.527  -4.964
  450   1HB   ASP  75          HB2       ASP  75  -1.654   6.835  -4.518
  451   2HB   ASP  75          HB1       ASP  75  -0.287   6.772  -5.618
  452    H    LYS  76           HN       LYS  76  -2.839   3.802  -7.583
  453    HA   LYS  76           HA       LYS  76  -5.455   3.908  -6.264
  454   1HB   LYS  76          HB2       LYS  76  -4.877   4.582  -9.152
  455   2HB   LYS  76          HB1       LYS  76  -6.492   4.305  -8.512
  456   1HG   LYS  76          HG2       LYS  76  -6.185   6.200  -6.977
  457   2HG   LYS  76          HG1       LYS  76  -4.595   6.491  -7.683
  458   1HD   LYS  76          HD2       LYS  76  -7.225   6.581  -9.159
  459   2HD   LYS  76          HD1       LYS  76  -6.289   7.982  -8.636
  460   1HE   LYS  76          HE2       LYS  76  -4.431   7.266 -10.062
  461   2HE   LYS  76          HE1       LYS  76  -5.373   5.872 -10.588
  462   1HZ   LYS  76          HZ1       LYS  76  -5.472   7.665 -12.199
  463   2HZ   LYS  76          HZ2       LYS  76  -6.101   8.717 -11.033
  464   3HZ   LYS  76          HZ3       LYS  76  -7.004   7.380 -11.540
  465    H    MET  77           HN       MET  77  -3.768   1.795  -6.111
  466    HA   MET  77           HA       MET  77  -4.344  -0.101  -8.229
  467   1HB   MET  77          HB2       MET  77  -2.694  -0.293  -5.724
  468   2HB   MET  77          HB1       MET  77  -2.854  -1.594  -6.898
  469   1HG   MET  77          HG2       MET  77  -1.744   1.141  -7.485
  470   2HG   MET  77          HG1       MET  77  -0.783  -0.304  -7.173
  471   1HE   MET  77          HE1       MET  77  -1.791  -2.575 -10.224
  472   2HE   MET  77          HE2       MET  77  -2.584  -2.518  -8.650
  473   3HE   MET  77          HE3       MET  77  -0.824  -2.465  -8.753
  474    H    LYS  78           HN       LYS  78  -5.574   0.491  -4.975
  475    HA   LYS  78           HA       LYS  78  -6.294  -2.120  -4.331
  476   1HB   LYS  78          HB2       LYS  78  -6.434  -0.390  -2.669
  477   2HB   LYS  78          HB1       LYS  78  -7.687   0.437  -3.581
  478   1HG   LYS  78          HG2       LYS  78  -8.629  -0.741  -1.690
  479   2HG   LYS  78          HG1       LYS  78  -9.205  -1.436  -3.203
  480   1HD   LYS  78          HD2       LYS  78  -6.787  -2.602  -1.902
  481   2HD   LYS  78          HD1       LYS  78  -8.376  -2.969  -1.232
  482   1HE   LYS  78          HE2       LYS  78  -7.393  -3.520  -4.025
  483   2HE   LYS  78          HE1       LYS  78  -7.793  -4.696  -2.782
  484   1HZ   LYS  78          HZ1       LYS  78  -9.662  -2.923  -4.247
  485   2HZ   LYS  78          HZ2       LYS  78 -10.110  -3.813  -2.881
  486   3HZ   LYS  78          HZ3       LYS  78  -9.599  -4.612  -4.280
  487    H    PHE  79           HN       PHE  79  -8.660   0.317  -5.398
  488    HA   PHE  79           HA       PHE  79 -10.572  -1.578  -6.159
  489   1HB   PHE  79          HB2       PHE  79 -11.147   0.755  -5.687
  490   2HB   PHE  79          HB1       PHE  79 -10.250   1.281  -7.103
  491    HD1  PHE  79           HD1      PHE  79 -13.074  -0.936  -6.119
  492    HD2  PHE  79           HD2      PHE  79 -11.360   1.569  -9.102
  493    HE1  PHE  79           HE1      PHE  79 -15.106  -1.178  -7.485
  494    HE2  PHE  79           HE2      PHE  79 -13.389   1.332 -10.473
  495    HZ   PHE  79           HZ       PHE  79 -15.266  -0.043  -9.665
  496    H    GLU  80           HN       GLU  80  -7.640  -0.863  -7.692
  497    HA   GLU  80           HA       GLU  80  -8.627  -1.206 -10.400
  498   1HB   GLU  80          HB2       GLU  80  -6.808   0.372  -9.969
  499   2HB   GLU  80          HB1       GLU  80  -5.808  -0.936  -9.353
  500   1HG   GLU  80          HG2       GLU  80  -5.181  -0.346 -11.620
  501   2HG   GLU  80          HG1       GLU  80  -5.811  -1.991 -11.545
  502    H    GLU  81           HN       GLU  81  -7.117  -3.151  -7.928
  503    HA   GLU  81           HA       GLU  81  -6.553  -5.287  -9.837
  504   1HB   GLU  81          HB2       GLU  81  -4.903  -4.589  -8.011
  505   2HB   GLU  81          HB1       GLU  81  -6.019  -5.327  -6.871
  506   1HG   GLU  81          HG2       GLU  81  -4.127  -6.783  -7.547
  507   2HG   GLU  81          HG1       GLU  81  -5.718  -7.473  -7.850
  508    H    LEU  82           HN       LEU  82  -8.158  -4.769  -6.749
  509    HA   LEU  82           HA       LEU  82 -10.183  -5.395  -5.977
  510   1HB   LEU  82          HB2       LEU  82 -10.504  -6.804  -8.622
  511   2HB   LEU  82          HB1       LEU  82 -11.725  -6.676  -7.390
  512    HG   LEU  82           HG       LEU  82 -12.256  -5.065  -9.036
  513   1HD1  LEU  82          HD11      LEU  82 -10.938  -3.692  -6.700
  514   2HD1  LEU  82          HD12      LEU  82 -12.584  -4.325  -6.746
  515   3HD1  LEU  82          HD13      LEU  82 -12.130  -2.970  -7.781
  516   1HD2  LEU  82          HD21      LEU  82  -9.538  -3.831  -8.718
  517   2HD2  LEU  82          HD22      LEU  82 -10.767  -3.474  -9.932
  518   3HD2  LEU  82          HD23      LEU  82  -9.908  -5.013  -9.971
  519    H    LYS  83           HN       LYS  83  -8.192  -7.840  -7.491
  520    HA   LYS  83           HA       LYS  83  -9.078  -9.815  -5.551
  521   1HB   LYS  83          HB2       LYS  83  -7.673 -11.381  -6.842
  522   2HB   LYS  83          HB1       LYS  83  -8.848 -10.556  -7.859
  523   1HG   LYS  83          HG2       LYS  83  -6.773  -8.885  -8.139
  524   2HG   LYS  83          HG1       LYS  83  -5.905 -10.394  -7.847
  525   1HD   LYS  83          HD2       LYS  83  -6.182 -10.239 -10.189
  526   2HD   LYS  83          HD1       LYS  83  -7.363 -11.423  -9.628
  527   1HE   LYS  83          HE2       LYS  83  -9.080  -9.627  -9.616
  528   2HE   LYS  83          HE1       LYS  83  -7.885  -8.536 -10.317
  529   1HZ   LYS  83          HZ1       LYS  83  -7.721 -10.009 -12.229
  530   2HZ   LYS  83          HZ2       LYS  83  -9.312  -9.478 -12.016
  531   3HZ   LYS  83          HZ3       LYS  83  -8.876 -11.047 -11.558
  532    H    ILE  84           HN       ILE  84  -7.084  -7.329  -5.453
  533    HA   ILE  84           HA       ILE  84  -4.747  -8.535  -4.338
  534    HB   ILE  84           HB       ILE  84  -4.850  -6.416  -5.760
  535   1HG1  ILE  84          HG12      ILE  84  -3.305  -6.281  -3.171
  536   2HG1  ILE  84          HG11      ILE  84  -2.850  -7.248  -4.569
  537   1HG2  ILE  84          HG21      ILE  84  -6.587  -5.234  -4.589
  538   2HG2  ILE  84          HG22      ILE  84  -5.088  -4.311  -4.511
  539   3HG2  ILE  84          HG23      ILE  84  -5.631  -5.230  -3.108
  540   1HD1  ILE  84          HD11      ILE  84  -3.134  -4.258  -4.579
  541   2HD1  ILE  84          HD12      ILE  84  -2.559  -5.270  -5.903
  542   3HD1  ILE  84          HD13      ILE  84  -1.612  -5.134  -4.421
  543    HA   PRO  85           HA       PRO  85  -6.763  -6.751  -0.367
  544   1HB   PRO  85          HB2       PRO  85  -9.421  -6.582  -0.245
  545   2HB   PRO  85          HB1       PRO  85  -8.462  -5.324  -1.035
  546   1HG   PRO  85          HG2       PRO  85 -10.064  -7.532  -2.239
  547   2HG   PRO  85          HG1       PRO  85  -9.864  -5.861  -2.790
  548   1HD   PRO  85          HD2       PRO  85  -8.495  -8.075  -3.777
  549   2HD   PRO  85          HD1       PRO  85  -8.010  -6.384  -3.996
  550    H    LYS  86           HN       LYS  86  -6.167  -9.400  -0.988
  551    HA   LYS  86           HA       LYS  86  -7.777 -10.765   0.997
  552   1HB   LYS  86          HB2       LYS  86  -7.544 -11.796  -1.834
  553   2HB   LYS  86          HB1       LYS  86  -8.143 -12.742  -0.479
  554   1HG   LYS  86          HG2       LYS  86  -9.980 -11.164  -0.183
  555   2HG   LYS  86          HG1       LYS  86  -9.374 -10.204  -1.534
  556   1HD   LYS  86          HD2       LYS  86  -9.704 -12.111  -3.035
  557   2HD   LYS  86          HD1       LYS  86 -10.309 -13.070  -1.683
  558   1HE   LYS  86          HE2       LYS  86 -12.154 -11.487  -1.391
  559   2HE   LYS  86          HE1       LYS  86 -11.548 -10.532  -2.744
  560   1HZ   LYS  86          HZ1       LYS  86 -11.916 -12.431  -4.196
  561   2HZ   LYS  86          HZ2       LYS  86 -13.352 -11.980  -3.427
  562   3HZ   LYS  86          HZ3       LYS  86 -12.502 -13.343  -2.897
  563    H    ASP  87           HN       ASP  87  -5.664 -12.101  -1.520
  564    HA   ASP  87           HA       ASP  87  -3.789 -12.880   0.614
  565   1HB   ASP  87          HB2       ASP  87  -3.167 -14.789  -0.816
  566   2HB   ASP  87          HB1       ASP  87  -4.879 -14.809  -0.410
  567    H    TYR  88           HN       TYR  88  -3.976 -10.472  -1.375
  568    HA   TYR  88           HA       TYR  88  -1.322 -10.791  -2.581
  569   1HB   TYR  88          HB2       TYR  88  -3.565  -8.849  -3.162
  570   2HB   TYR  88          HB1       TYR  88  -1.947  -8.700  -3.851
  571    HD1  TYR  88           HD1      TYR  88  -4.447 -11.448  -3.383
  572    HD2  TYR  88           HD2      TYR  88  -1.767  -9.451  -6.014
  573    HE1  TYR  88           HE1      TYR  88  -5.078 -12.994  -5.188
  574    HE2  TYR  88           HE2      TYR  88  -2.391 -10.990  -7.828
  575    HH   TYR  88           HH       TYR  88  -5.078 -13.057  -7.643
  576    H    VAL  89           HN       VAL  89   0.301  -9.266  -2.307
  577    HA   VAL  89           HA       VAL  89  -0.070  -7.300  -0.162
  578    HB   VAL  89           HB       VAL  89   0.884  -9.312   0.866
  579   1HG1  VAL  89          HG11      VAL  89   1.966 -10.239  -1.119
  580   2HG1  VAL  89          HG12      VAL  89   3.087 -10.129   0.238
  581   3HG1  VAL  89          HG13      VAL  89   3.165  -8.947  -1.068
  582   1HG2  VAL  89          HG21      VAL  89   2.394  -6.767   0.715
  583   2HG2  VAL  89          HG22      VAL  89   3.215  -8.138   1.458
  584   3HG2  VAL  89          HG23      VAL  89   1.674  -7.584   2.105
  585    H    VAL  90           HN       VAL  90   0.813  -5.370  -0.619
  586    HA   VAL  90           HA       VAL  90   2.524  -5.156  -2.978
  587    HB   VAL  90           HB       VAL  90   1.350  -2.887  -1.343
  588   1HG1  VAL  90          HG11      VAL  90   2.853  -3.082  -3.927
  589   2HG1  VAL  90          HG12      VAL  90   3.076  -1.966  -2.578
  590   3HG1  VAL  90          HG13      VAL  90   1.703  -1.772  -3.668
  591   1HG2  VAL  90          HG21      VAL  90   0.192  -4.575  -3.490
  592   2HG2  VAL  90          HG22      VAL  90  -0.112  -2.840  -3.568
  593   3HG2  VAL  90          HG23      VAL  90  -0.591  -3.754  -2.140
  594    H    GLN  91           HN       GLN  91   4.651  -5.166  -2.738
  595    HA   GLN  91           HA       GLN  91   5.788  -4.827  -0.121
  596   1HB   GLN  91          HB2       GLN  91   6.606  -6.562  -1.696
  597   2HB   GLN  91          HB1       GLN  91   7.199  -5.283  -2.750
  598   1HG   GLN  91          HG2       GLN  91   8.129  -4.957  -0.038
  599   2HG   GLN  91          HG1       GLN  91   8.584  -6.527  -0.704
  600   1HE2  GLN  91          HE21      GLN  91  10.268  -4.256  -0.030
  601   2HE2  GLN  91          HE22      GLN  91  11.095  -3.817  -1.483
  602    H    VAL  92           HN       VAL  92   6.341  -2.959   0.699
  603    HA   VAL  92           HA       VAL  92   6.918  -0.725  -1.114
  604    HB   VAL  92           HB       VAL  92   6.210   0.751   0.584
  605   1HG1  VAL  92          HG11      VAL  92   4.241  -1.353   1.220
  606   2HG1  VAL  92          HG12      VAL  92   4.507  -1.030  -0.493
  607   3HG1  VAL  92          HG13      VAL  92   3.994   0.265   0.579
  608   1HG2  VAL  92          HG21      VAL  92   6.206  -1.576   2.480
  609   2HG2  VAL  92          HG22      VAL  92   5.704   0.070   2.865
  610   3HG2  VAL  92          HG23      VAL  92   7.386  -0.266   2.459
  611    H    ILE  93           HN       ILE  93   8.480   0.928  -0.137
  612    HA   ILE  93           HA       ILE  93  10.509  -0.140   1.600
  613    HB   ILE  93           HB       ILE  93  12.371   0.165   0.065
  614   1HG1  ILE  93          HG12      ILE  93  10.254   0.608  -2.050
  615   2HG1  ILE  93          HG11      ILE  93  11.339   1.842  -1.413
  616   1HG2  ILE  93          HG21      ILE  93  11.326  -2.047   0.307
  617   2HG2  ILE  93          HG22      ILE  93  12.040  -1.814  -1.289
  618   3HG2  ILE  93          HG23      ILE  93  10.293  -1.695  -1.078
  619   1HD1  ILE  93          HD11      ILE  93  13.239   0.410  -2.230
  620   2HD1  ILE  93          HD12      ILE  93  12.242   1.165  -3.473
  621   3HD1  ILE  93          HD13      ILE  93  12.032  -0.544  -3.091
  622    H    VAL  94           HN       VAL  94  11.537   1.395   2.677
  623    HA   VAL  94           HA       VAL  94  11.191   4.195   1.842
  624    HB   VAL  94           HB       VAL  94   9.795   4.128   3.695
  625   1HG1  VAL  94          HG11      VAL  94  10.228   1.816   4.329
  626   2HG1  VAL  94          HG12      VAL  94  10.248   2.863   5.749
  627   3HG1  VAL  94          HG13      VAL  94  11.764   2.287   5.056
  628   1HG2  VAL  94          HG21      VAL  94  11.679   5.794   3.949
  629   2HG2  VAL  94          HG22      VAL  94  12.415   4.663   5.084
  630   3HG2  VAL  94          HG23      VAL  94  10.833   5.359   5.434
  631    H    SER  95           HN       SER  95  13.178   4.509   0.961
  632    HA   SER  95           HA       SER  95  15.505   4.064   2.713
  633   1HB   SER  95          HB2       SER  95  15.377   4.185  -0.309
  634   2HB   SER  95          HB1       SER  95  16.860   4.026   0.630
  635    HG   SER  95           HG       SER  95  16.464   1.968   0.495
  636    H    GLN  96           HN       GLN  96  13.717   6.362   2.761
  637    HA   GLN  96           HA       GLN  96  15.734   8.432   2.346
  638   1HB   GLN  96          HB2       GLN  96  14.009   9.944   1.349
  639   2HB   GLN  96          HB1       GLN  96  14.462   8.593   0.320
  640   1HG   GLN  96          HG2       GLN  96  12.437   7.402   0.994
  641   2HG   GLN  96          HG1       GLN  96  11.983   8.764   2.018
  642   1HE2  GLN  96          HE21      GLN  96  11.280  10.674   1.068
  643   2HE2  GLN  96          HE22      GLN  96  10.780  10.752  -0.583
  644    HA   PRO  97           HA       PRO  97  13.320   8.689   6.368
  645   1HB   PRO  97          HB2       PRO  97  15.495   8.682   7.997
  646   2HB   PRO  97          HB1       PRO  97  14.681   7.205   7.473
  647   1HG   PRO  97          HG2       PRO  97  17.167   8.480   6.398
  648   2HG   PRO  97          HG1       PRO  97  16.837   6.767   6.720
  649   1HD   PRO  97          HD2       PRO  97  16.711   7.824   4.234
  650   2HD   PRO  97          HD1       PRO  97  15.655   6.496   4.757
  651    H    VAL  98           HN       VAL  98  16.131  10.311   5.053
  652    HA   VAL  98           HA       VAL  98  15.125  12.845   6.124
  653    HB   VAL  98           HB       VAL  98  18.042  12.063   6.243
  654   1HG1  VAL  98          HG11      VAL  98  18.303  14.156   7.496
  655   2HG1  VAL  98          HG12      VAL  98  16.596  14.516   7.240
  656   3HG1  VAL  98          HG13      VAL  98  17.697  14.442   5.865
  657   1HG2  VAL  98          HG21      VAL  98  16.758  10.831   7.902
  658   2HG2  VAL  98          HG22      VAL  98  16.026  12.331   8.472
  659   3HG2  VAL  98          HG23      VAL  98  17.757  12.060   8.679
  660    H    GLN  99           HN       GLN  99  17.494  11.290   3.978
  661    HA   GLN  99           HA       GLN  99  17.266  13.581   2.150
  662   1HB   GLN  99          HB2       GLN  99  19.354  11.396   2.275
  663   2HB   GLN  99          HB1       GLN  99  19.342  12.719   1.117
  664   1HG   GLN  99          HG2       GLN  99  19.674  12.924   4.100
  665   2HG   GLN  99          HG1       GLN  99  20.905  13.201   2.869
  666   1HE2  GLN  99          HE21      GLN  99  19.094  14.631   1.092
  667   2HE2  GLN  99          HE22      GLN  99  18.841  16.183   1.806
  668    H    ASN 100           HN       ASN 100  16.508  13.342   0.109
  669    HA   ASN 100           HA       ASN 100  14.986  11.000  -0.492
  670   1HB   ASN 100          HB2       ASN 100  14.250  13.246  -1.182
  671   2HB   ASN 100          HB1       ASN 100  15.651  13.379  -2.241
  672   1HD2  ASN 100          HD21      ASN 100  15.731  12.160  -4.128
  673   2HD2  ASN 100          HD22      ASN 100  14.320  11.424  -4.802
  Start of MODEL    4
    1    H    GLY  21           H        GLY  21  -9.325  -4.603   7.851
    2   1HA   GLY  21          HA1       GLY  21 -11.018  -2.971   7.315
    3   2HA   GLY  21          HA2       GLY  21 -10.732  -4.070   5.974
    4    H    TYR  22           HN       TYR  22 -12.813  -3.528   5.152
    5    HA   TYR  22           HA       TYR  22 -14.912  -5.177   6.314
    6   1HB   TYR  22          HB2       TYR  22 -15.202  -2.903   7.294
    7   2HB   TYR  22          HB1       TYR  22 -15.386  -2.262   5.665
    8    HD1  TYR  22           HD1      TYR  22 -16.933  -4.365   8.259
    9    HD2  TYR  22           HD2      TYR  22 -17.438  -2.541   4.448
   10    HE1  TYR  22           HE1      TYR  22 -19.344  -4.838   8.359
   11    HE2  TYR  22           HE2      TYR  22 -19.850  -3.009   4.538
   12    HH   TYR  22           HH       TYR  22 -21.430  -3.985   7.376
   13    H    GLU  23           HN       GLU  23 -14.052  -2.919   3.707
   14    HA   GLU  23           HA       GLU  23 -15.693  -4.501   1.855
   15   1HB   GLU  23          HB2       GLU  23 -16.090  -2.051   1.954
   16   2HB   GLU  23          HB1       GLU  23 -14.431  -1.785   1.437
   17   1HG   GLU  23          HG2       GLU  23 -15.919  -1.538  -0.433
   18   2HG   GLU  23          HG1       GLU  23 -14.913  -2.967  -0.659
   19    H    CYS  24           HN       CYS  24 -12.637  -2.675   1.579
   20    HA   CYS  24           HA       CYS  24 -11.488  -5.001   0.177
   21   1HB   CYS  24          HB2       CYS  24 -10.823  -2.107  -0.396
   22   2HB   CYS  24          HB1       CYS  24 -10.294  -3.518  -1.302
   23    HG   CYS  24           HG       CYS  24 -12.459  -3.889  -2.731
   24    H    GLN  25           HN       GLN  25  -9.100  -5.137   0.323
   25    HA   GLN  25           HA       GLN  25  -7.681  -3.622   2.260
   26   1HB   GLN  25          HB2       GLN  25  -7.315  -5.586   3.827
   27   2HB   GLN  25          HB1       GLN  25  -8.888  -4.808   3.914
   28   1HG   GLN  25          HG2       GLN  25  -9.815  -6.587   2.481
   29   2HG   GLN  25          HG1       GLN  25  -8.242  -7.384   2.499
   30   1HE2  GLN  25          HE21      GLN  25  -9.071  -9.226   3.473
   31   2HE2  GLN  25          HE22      GLN  25  -9.537  -9.261   5.136
   32    H    LEU  26           HN       LEU  26  -5.581  -3.745   1.815
   33    HA   LEU  26           HA       LEU  26  -4.598  -6.074   0.293
   34   1HB   LEU  26          HB2       LEU  26  -4.913  -3.719  -0.861
   35   2HB   LEU  26          HB1       LEU  26  -3.383  -3.377  -0.079
   36    HG   LEU  26           HG       LEU  26  -3.843  -5.668  -1.986
   37   1HD1  LEU  26          HD11      LEU  26  -4.061  -3.569  -3.162
   38   2HD1  LEU  26          HD12      LEU  26  -2.524  -4.330  -3.573
   39   3HD1  LEU  26          HD13      LEU  26  -2.565  -2.980  -2.441
   40   1HD2  LEU  26          HD21      LEU  26  -1.512  -4.701  -0.411
   41   2HD2  LEU  26          HD22      LEU  26  -1.239  -5.396  -2.009
   42   3HD2  LEU  26          HD23      LEU  26  -2.039  -6.346  -0.761
   43    H    ARG  27           HN       ARG  27  -2.623  -6.907   0.835
   44    HA   ARG  27           HA       ARG  27  -1.595  -6.161   3.420
   45   1HB   ARG  27          HB2       ARG  27  -1.915  -8.532   2.575
   46   2HB   ARG  27          HB1       ARG  27  -0.499  -8.266   1.573
   47   1HG   ARG  27          HG2       ARG  27   0.879  -7.933   3.516
   48   2HG   ARG  27          HG1       ARG  27  -0.532  -8.016   4.571
   49   1HD   ARG  27          HD2       ARG  27  -0.912 -10.345   3.647
   50   2HD   ARG  27          HD1       ARG  27   0.694 -10.220   2.931
   51    HE   ARG  27           HE       ARG  27   1.011  -9.606   5.596
   52   1HH1  ARG  27          HH11      ARG  27  -0.142 -12.336   3.753
   53   2HH1  ARG  27          HH12      ARG  27   0.338 -13.500   4.941
   54   1HH2  ARG  27          HH21      ARG  27   1.643 -11.138   7.161
   55   2HH2  ARG  27          HH22      ARG  27   1.351 -12.820   6.876
   56    H    LEU  28           HN       LEU  28   0.370  -5.263   3.889
   57    HA   LEU  28           HA       LEU  28   1.948  -4.244   1.601
   58   1HB   LEU  28          HB2       LEU  28   1.183  -3.054   4.231
   59   2HB   LEU  28          HB1       LEU  28   2.679  -2.558   3.479
   60    HG   LEU  28           HG       LEU  28   0.460  -1.207   3.101
   61   1HD1  LEU  28          HD11      LEU  28   1.376  -0.406   0.991
   62   2HD1  LEU  28          HD12      LEU  28   2.429  -1.821   0.916
   63   3HD1  LEU  28          HD13      LEU  28   2.633  -0.635   2.209
   64   1HD2  LEU  28          HD21      LEU  28  -0.655  -1.817   1.016
   65   2HD2  LEU  28          HD22      LEU  28  -0.842  -3.081   2.231
   66   3HD2  LEU  28          HD23      LEU  28   0.320  -3.284   0.920
   67    H    ARG  29           HN       ARG  29   3.794  -5.446   1.444
   68    HA   ARG  29           HA       ARG  29   5.024  -6.497   3.879
   69   1HB   ARG  29          HB2       ARG  29   4.882  -7.992   1.972
   70   2HB   ARG  29          HB1       ARG  29   5.746  -6.840   0.961
   71   1HG   ARG  29          HG2       ARG  29   7.711  -7.102   2.478
   72   2HG   ARG  29          HG1       ARG  29   6.832  -8.392   3.299
   73   1HD   ARG  29          HD2       ARG  29   7.627  -8.330   0.391
   74   2HD   ARG  29          HD1       ARG  29   8.357  -9.320   1.654
   75    HE   ARG  29           HE       ARG  29   5.726 -10.013   1.706
   76   1HH1  ARG  29          HH11      ARG  29   8.169  -9.916  -0.782
   77   2HH1  ARG  29          HH12      ARG  29   7.483 -11.227  -1.683
   78   1HH2  ARG  29          HH21      ARG  29   4.820 -11.735   0.522
   79   2HH2  ARG  29          HH22      ARG  29   5.581 -12.259  -0.943
   80    H    LEU  30           HN       LEU  30   6.049  -4.883   4.982
   81    HA   LEU  30           HA       LEU  30   7.507  -2.858   3.538
   82   1HB   LEU  30          HB2       LEU  30   6.819  -3.259   6.383
   83   2HB   LEU  30          HB1       LEU  30   7.997  -2.064   5.925
   84    HG   LEU  30           HG       LEU  30   5.653  -1.213   6.288
   85   1HD1  LEU  30          HD11      LEU  30   5.738  -0.013   3.921
   86   2HD1  LEU  30          HD12      LEU  30   7.363  -0.699   3.953
   87   3HD1  LEU  30          HD13      LEU  30   6.836   0.380   5.244
   88   1HD2  LEU  30          HD21      LEU  30   4.218  -2.769   5.372
   89   2HD2  LEU  30          HD22      LEU  30   5.162  -2.922   3.895
   90   3HD2  LEU  30          HD23      LEU  30   4.211  -1.470   4.182
   91    H    SER  31           HN       SER  31   9.618  -2.370   3.631
   92    HA   SER  31           HA       SER  31  11.450  -4.406   3.404
   93   1HB   SER  31          HB2       SER  31  13.187  -2.660   3.562
   94   2HB   SER  31          HB1       SER  31  11.844  -2.157   2.535
   95    HG   SER  31           HG       SER  31  12.710  -1.135   4.939
   96    H    THR  32           HN       THR  32  10.256  -2.954   6.309
   97    HA   THR  32           HA       THR  32  12.470  -4.030   7.885
   98    HB   THR  32           HB       THR  32  11.363  -2.973   9.814
   99    HG1  THR  32           HG1      THR  32   9.473  -1.924   7.965
  100   1HG2  THR  32          HG21      THR  32  11.619  -1.130   7.435
  101   2HG2  THR  32          HG22      THR  32  12.935  -1.647   8.490
  102   3HG2  THR  32          HG23      THR  32  11.639  -0.635   9.127
  103    H    GLY  33           HN       GLY  33  10.339  -5.624   6.403
  104   1HA   GLY  33          HA2       GLY  33   9.315  -7.652   6.752
  105   2HA   GLY  33          HA1       GLY  33  10.000  -7.646   8.383
  106    H    LYS  34           HN       LYS  34   7.959  -5.187   6.901
  107    HA   LYS  34           HA       LYS  34   6.013  -5.689   9.035
  108   1HB   LYS  34          HB2       LYS  34   7.385  -3.357   8.320
  109   2HB   LYS  34          HB1       LYS  34   5.730  -3.106   7.796
  110   1HG   LYS  34          HG2       LYS  34   6.158  -4.180  10.519
  111   2HG   LYS  34          HG1       LYS  34   6.570  -2.490  10.230
  112   1HD   LYS  34          HD2       LYS  34   4.283  -2.667  11.021
  113   2HD   LYS  34          HD1       LYS  34   4.307  -2.105   9.350
  114   1HE   LYS  34          HE2       LYS  34   2.983  -3.789   8.764
  115   2HE   LYS  34          HE1       LYS  34   4.194  -4.939   9.317
  116   1HZ   LYS  34          HZ1       LYS  34   2.162  -5.359  10.464
  117   2HZ   LYS  34          HZ2       LYS  34   2.018  -3.742  10.937
  118   3HZ   LYS  34          HZ3       LYS  34   3.255  -4.701  11.577
  119    H    ASP  35           HN       ASP  35   4.824  -7.213   7.940
  120    HA   ASP  35           HA       ASP  35   3.460  -6.350   5.494
  121   1HB   ASP  35          HB2       ASP  35   2.747  -8.734   5.342
  122   2HB   ASP  35          HB1       ASP  35   4.500  -8.528   5.324
  123    H    LEU  36           HN       LEU  36   1.812  -5.080   6.118
  124    HA   LEU  36           HA       LEU  36  -0.182  -6.266   7.910
  125   1HB   LEU  36          HB2       LEU  36   1.053  -4.494   9.098
  126   2HB   LEU  36          HB1       LEU  36   0.627  -3.357   7.834
  127    HG   LEU  36           HG       LEU  36  -1.739  -3.566   8.417
  128   1HD1  LEU  36          HD11      LEU  36  -2.421  -4.807  10.407
  129   2HD1  LEU  36          HD12      LEU  36  -0.774  -5.408  10.599
  130   3HD1  LEU  36          HD13      LEU  36  -1.725  -5.877   9.190
  131   1HD2  LEU  36          HD21      LEU  36  -1.652  -2.468  10.597
  132   2HD2  LEU  36          HD22      LEU  36  -0.401  -1.850   9.516
  133   3HD2  LEU  36          HD23      LEU  36   0.022  -2.988  10.796
  134    H    LYS  37           HN       LYS  37  -2.068  -6.471   6.960
  135    HA   LYS  37           HA       LYS  37  -2.528  -5.241   4.399
  136   1HB   LYS  37          HB2       LYS  37  -3.242  -7.425   4.381
  137   2HB   LYS  37          HB1       LYS  37  -3.825  -7.355   6.032
  138   1HG   LYS  37          HG2       LYS  37  -5.764  -6.069   5.305
  139   2HG   LYS  37          HG1       LYS  37  -5.159  -6.086   3.646
  140   1HD   LYS  37          HD2       LYS  37  -6.869  -7.789   3.942
  141   2HD   LYS  37          HD1       LYS  37  -5.302  -8.538   3.634
  142   1HE   LYS  37          HE2       LYS  37  -6.498  -9.701   5.413
  143   2HE   LYS  37          HE1       LYS  37  -5.023  -8.953   6.022
  144   1HZ   LYS  37          HZ1       LYS  37  -6.349  -7.128   6.888
  145   2HZ   LYS  37          HZ2       LYS  37  -6.877  -8.602   7.526
  146   3HZ   LYS  37          HZ3       LYS  37  -7.764  -7.845   6.302
  147    H    LEU  38           HN       LEU  38  -3.011  -3.175   4.461
  148    HA   LEU  38           HA       LEU  38  -4.639  -2.023   6.543
  149   1HB   LEU  38          HB2       LEU  38  -3.012  -0.527   5.897
  150   2HB   LEU  38          HB1       LEU  38  -3.079  -1.022   4.214
  151    HG   LEU  38           HG       LEU  38  -5.298   0.185   4.056
  152   1HD1  LEU  38          HD11      LEU  38  -4.425   1.517   6.606
  153   2HD1  LEU  38          HD12      LEU  38  -5.595   0.200   6.578
  154   3HD1  LEU  38          HD13      LEU  38  -5.946   1.706   5.733
  155   1HD2  LEU  38          HD21      LEU  38  -2.903   1.861   4.788
  156   2HD2  LEU  38          HD22      LEU  38  -4.266   2.343   3.778
  157   3HD2  LEU  38          HD23      LEU  38  -3.159   1.088   3.224
  158    H    VAL  39           HN       VAL  39  -6.721  -1.352   6.411
  159    HA   VAL  39           HA       VAL  39  -8.408  -2.538   4.455
  160    HB   VAL  39           HB       VAL  39  -9.186  -2.146   6.749
  161   1HG1  VAL  39          HG11      VAL  39  -9.786   0.121   7.485
  162   2HG1  VAL  39          HG12      VAL  39  -9.057   0.778   6.019
  163   3HG1  VAL  39          HG13      VAL  39  -8.052  -0.050   7.209
  164   1HG2  VAL  39          HG21      VAL  39 -11.397  -1.245   6.211
  165   2HG2  VAL  39          HG22      VAL  39 -10.833  -2.352   4.959
  166   3HG2  VAL  39          HG23      VAL  39 -10.770  -0.610   4.691
  167    H    VAL  40           HN       VAL  40  -9.534  -1.608   2.775
  168    HA   VAL  40           HA       VAL  40  -9.186   1.213   2.179
  169    HB   VAL  40           HB       VAL  40  -8.405   0.657  -0.167
  170   1HG1  VAL  40          HG11      VAL  40  -6.049   0.466   0.493
  171   2HG1  VAL  40          HG12      VAL  40  -6.549   0.037   2.128
  172   3HG1  VAL  40          HG13      VAL  40  -6.916   1.638   1.485
  173   1HG2  VAL  40          HG21      VAL  40  -8.818  -1.634  -0.399
  174   2HG2  VAL  40          HG22      VAL  40  -8.053  -2.017   1.145
  175   3HG2  VAL  40          HG23      VAL  40  -7.065  -1.525  -0.229
  176    H    ARG  41           HN       ARG  41 -10.396   1.790   0.119
  177    HA   ARG  41           HA       ARG  41 -12.478  -0.047  -0.676
  178   1HB   ARG  41          HB2       ARG  41 -13.304   0.978   1.436
  179   2HB   ARG  41          HB1       ARG  41 -13.191   2.556   0.674
  180   1HG   ARG  41          HG2       ARG  41 -14.843   0.389  -0.558
  181   2HG   ARG  41          HG1       ARG  41 -15.475   1.364   0.770
  182   1HD   ARG  41          HD2       ARG  41 -14.852   3.395  -0.607
  183   2HD   ARG  41          HD1       ARG  41 -14.580   2.288  -1.951
  184    HE   ARG  41           HE       ARG  41 -17.075   1.655  -1.139
  185   1HH1  ARG  41          HH11      ARG  41 -15.541   4.674  -1.981
  186   2HH1  ARG  41          HH12      ARG  41 -17.000   5.397  -2.567
  187   1HH2  ARG  41          HH21      ARG  41 -18.997   2.603  -1.912
  188   2HH2  ARG  41          HH22      ARG  41 -18.963   4.221  -2.528
  189    H    SER  42           HN       SER  42 -11.795   0.164  -2.759
  190    HA   SER  42           HA       SER  42 -11.294   1.086  -4.785
  191   1HB   SER  42          HB2       SER  42 -13.621   0.670  -5.000
  192   2HB   SER  42          HB1       SER  42 -14.033   2.141  -4.119
  193    HG   SER  42           HG       SER  42 -13.454   3.352  -5.840
  194    H    THR  43           HN       THR  43 -12.587   3.766  -2.772
  195    HA   THR  43           HA       THR  43 -11.275   5.738  -4.372
  196    HB   THR  43           HB       THR  43 -13.316   6.320  -3.167
  197    HG1  THR  43           HG1      THR  43 -11.066   7.723  -2.116
  198   1HG2  THR  43          HG21      THR  43 -13.142   6.671  -0.665
  199   2HG2  THR  43          HG22      THR  43 -11.672   5.698  -0.720
  200   3HG2  THR  43          HG23      THR  43 -13.215   4.994  -1.203
  201    H    ASP  44           HN       ASP  44 -10.282   3.647  -1.887
  202    HA   ASP  44           HA       ASP  44  -8.262   5.319  -0.758
  203   1HB   ASP  44          HB2       ASP  44  -8.941   2.407  -0.562
  204   2HB   ASP  44          HB1       ASP  44  -7.430   3.015   0.110
  205    H    THR  45           HN       THR  45  -7.710   2.166  -2.307
  206    HA   THR  45           HA       THR  45  -6.089   1.428  -3.742
  207    HB   THR  45           HB       THR  45  -5.594   2.717  -5.651
  208    HG1  THR  45           HG1      THR  45  -4.833   4.630  -4.876
  209   1HG2  THR  45          HG21      THR  45  -8.126   2.276  -4.977
  210   2HG2  THR  45          HG22      THR  45  -7.697   3.148  -6.447
  211   3HG2  THR  45          HG23      THR  45  -8.178   4.039  -5.004
  212    H    VAL  46           HN       VAL  46  -3.815   1.480  -4.159
  213    HA   VAL  46           HA       VAL  46  -2.067   1.629  -2.249
  214    HB   VAL  46           HB       VAL  46  -1.711   2.264  -5.128
  215   1HG1  VAL  46          HG11      VAL  46   0.450   2.647  -3.062
  216   2HG1  VAL  46          HG12      VAL  46  -0.157   3.836  -4.215
  217   3HG1  VAL  46          HG13      VAL  46   0.754   2.438  -4.787
  218   1HG2  VAL  46          HG21      VAL  46  -0.336   0.264  -5.051
  219   2HG2  VAL  46          HG22      VAL  46  -1.884  -0.050  -4.269
  220   3HG2  VAL  46          HG23      VAL  46  -0.438   0.214  -3.288
  221    H    PHE  47           HN       PHE  47  -3.235   4.583  -3.788
  222    HA   PHE  47           HA       PHE  47  -1.370   6.371  -2.636
  223   1HB   PHE  47          HB2       PHE  47  -2.846   7.019  -4.488
  224   2HB   PHE  47          HB1       PHE  47  -4.248   6.868  -3.442
  225    HD1  PHE  47           HD1      PHE  47  -4.663   8.499  -1.679
  226    HD2  PHE  47           HD2      PHE  47  -1.385   8.917  -4.358
  227    HE1  PHE  47           HE1      PHE  47  -4.414  10.850  -1.000
  228    HE2  PHE  47           HE2      PHE  47  -1.127  11.269  -3.684
  229    HZ   PHE  47           HZ       PHE  47  -2.644  12.238  -2.002
  230    H    HIS  48           HN       HIS  48  -4.804   6.064  -1.712
  231    HA   HIS  48           HA       HIS  48  -4.429   7.132   0.852
  232   1HB   HIS  48          HB2       HIS  48  -6.509   5.190  -0.149
  233   2HB   HIS  48          HB1       HIS  48  -6.577   6.014   1.411
  234    HD1  HIS  48           HD1      HIS  48  -6.779   6.730  -2.288
  235    HD2  HIS  48           HD2      HIS  48  -7.532   8.600   1.345
  236    HE1  HIS  48           HE1      HIS  48  -7.978   8.864  -2.866
  237    HE2  HIS  48           HE2      HIS  48  -8.495   9.939  -0.646
  238    H    MET  49           HN       MET  49  -4.409   3.843  -0.407
  239    HA   MET  49           HA       MET  49  -4.004   2.340   1.822
  240   1HB   MET  49          HB2       MET  49  -3.908   1.715  -0.743
  241   2HB   MET  49          HB1       MET  49  -2.178   1.911  -0.502
  242   1HG   MET  49          HG2       MET  49  -2.265   0.240   1.303
  243   2HG   MET  49          HG1       MET  49  -3.977  -0.003   0.960
  244   1HE   MET  49          HE1       MET  49  -3.869  -1.452  -2.678
  245   2HE   MET  49          HE2       MET  49  -4.060   0.235  -2.197
  246   3HE   MET  49          HE3       MET  49  -4.901  -1.036  -1.309
  247    H    LYS  50           HN       LYS  50  -1.763   4.313   0.028
  248    HA   LYS  50           HA       LYS  50   0.512   3.863   1.691
  249   1HB   LYS  50          HB2       LYS  50   1.200   4.511  -0.393
  250   2HB   LYS  50          HB1       LYS  50  -0.172   5.571  -0.640
  251   1HG   LYS  50          HG2       LYS  50   1.873   6.366   1.362
  252   2HG   LYS  50          HG1       LYS  50   2.259   6.517  -0.354
  253   1HD   LYS  50          HD2       LYS  50   0.148   7.813  -0.644
  254   2HD   LYS  50          HD1       LYS  50  -0.067   7.770   1.104
  255   1HE   LYS  50          HE2       LYS  50   0.929   9.872   0.451
  256   2HE   LYS  50          HE1       LYS  50   2.088   8.922   1.377
  257   1HZ   LYS  50          HZ1       LYS  50   2.024   9.205  -1.580
  258   2HZ   LYS  50          HZ2       LYS  50   3.114   8.239  -0.722
  259   3HZ   LYS  50          HZ3       LYS  50   3.147   9.919  -0.533
  260    H    ARG  51           HN       ARG  51  -2.088   6.205   1.517
  261    HA   ARG  51           HA       ARG  51  -1.142   8.185   3.175
  262   1HB   ARG  51          HB2       ARG  51  -3.293   8.263   1.925
  263   2HB   ARG  51          HB1       ARG  51  -3.980   7.161   3.109
  264   1HG   ARG  51          HG2       ARG  51  -4.716   9.224   3.834
  265   2HG   ARG  51          HG1       ARG  51  -3.292   8.946   4.838
  266   1HD   ARG  51          HD2       ARG  51  -3.272  10.533   2.278
  267   2HD   ARG  51          HD1       ARG  51  -3.461  11.248   3.877
  268    HE   ARG  51           HE       ARG  51  -1.184   9.859   4.151
  269   1HH1  ARG  51          HH11      ARG  51  -2.258  12.101   1.699
  270   2HH1  ARG  51          HH12      ARG  51  -0.659  12.648   1.323
  271   1HH2  ARG  51          HH21      ARG  51   0.920  10.583   3.656
  272   2HH2  ARG  51          HH22      ARG  51   1.143  11.788   2.433
  273    H    ARG  52           HN       ARG  52  -3.036   5.330   4.034
  274    HA   ARG  52           HA       ARG  52  -2.604   5.705   6.850
  275   1HB   ARG  52          HB2       ARG  52  -4.005   3.630   5.199
  276   2HB   ARG  52          HB1       ARG  52  -3.689   3.345   6.905
  277   1HG   ARG  52          HG2       ARG  52  -4.929   5.386   7.461
  278   2HG   ARG  52          HG1       ARG  52  -5.266   5.634   5.747
  279   1HD   ARG  52          HD2       ARG  52  -6.519   3.576   5.650
  280   2HD   ARG  52          HD1       ARG  52  -6.087   3.194   7.316
  281    HE   ARG  52           HE       ARG  52  -7.468   5.698   7.027
  282   1HH1  ARG  52          HH11      ARG  52  -7.847   2.249   7.412
  283   2HH1  ARG  52          HH12      ARG  52  -9.435   2.375   8.094
  284   1HH2  ARG  52          HH21      ARG  52  -9.555   5.862   7.925
  285   2HH2  ARG  52          HH22      ARG  52 -10.404   4.425   8.385
  286    H    LEU  53           HN       LEU  53  -0.931   4.242   4.258
  287    HA   LEU  53           HA       LEU  53   0.425   2.173   5.576
  288   1HB   LEU  53          HB2       LEU  53   0.438   2.609   3.112
  289   2HB   LEU  53          HB1       LEU  53   1.521   3.954   3.401
  290    HG   LEU  53           HG       LEU  53   3.262   2.487   4.139
  291   1HD1  LEU  53          HD11      LEU  53   2.040   0.869   5.395
  292   2HD1  LEU  53          HD12      LEU  53   2.913   0.015   4.123
  293   3HD1  LEU  53          HD13      LEU  53   1.184   0.320   3.956
  294   1HD2  LEU  53          HD21      LEU  53   3.036   2.767   1.733
  295   2HD2  LEU  53          HD22      LEU  53   1.939   1.388   1.667
  296   3HD2  LEU  53          HD23      LEU  53   3.626   1.151   2.123
  297    H    HIS  54           HN       HIS  54   0.931   5.634   5.424
  298    HA   HIS  54           HA       HIS  54   3.359   5.523   6.975
  299   1HB   HIS  54          HB2       HIS  54   3.582   7.777   6.526
  300   2HB   HIS  54          HB1       HIS  54   2.606   7.273   5.149
  301    HD1  HIS  54           HD1      HIS  54   1.906   8.622   8.653
  302    HD2  HIS  54           HD2      HIS  54   0.570   8.977   4.735
  303    HE1  HIS  54           HE1      HIS  54   0.092  10.362   8.717
  304    HE2  HIS  54           HE2      HIS  54  -0.760  10.497   6.350
  305    H    ALA  55           HN       ALA  55  -0.022   6.473   7.415
  306    HA   ALA  55           HA       ALA  55   0.131   7.429  10.028
  307   1HB   ALA  55          HB1       ALA  55  -2.254   7.011  10.168
  308   2HB   ALA  55          HB2       ALA  55  -2.169   5.941   8.768
  309   3HB   ALA  55          HB3       ALA  55  -1.838   7.664   8.583
  310    H    ALA  56           HN       ALA  56  -0.476   4.089   8.918
  311    HA   ALA  56           HA       ALA  56  -0.575   3.102  11.626
  312   1HB   ALA  56          HB1       ALA  56  -0.552   1.584   9.023
  313   2HB   ALA  56          HB2       ALA  56  -1.991   2.135   9.881
  314   3HB   ALA  56          HB3       ALA  56  -0.935   0.926  10.614
  315    H    GLU  57           HN       GLU  57   1.702   2.884   8.899
  316    HA   GLU  57           HA       GLU  57   3.566   1.363  10.538
  317   1HB   GLU  57          HB2       GLU  57   4.131   2.372   7.764
  318   2HB   GLU  57          HB1       GLU  57   4.806   0.972   8.582
  319   1HG   GLU  57          HG2       GLU  57   1.977   1.256   7.600
  320   2HG   GLU  57          HG1       GLU  57   3.254   0.303   6.847
  321    H    GLY  58           HN       GLY  58   3.804   4.336   8.562
  322   1HA   GLY  58          HA2       GLY  58   4.606   6.284  10.037
  323   2HA   GLY  58          HA1       GLY  58   5.969   5.217  10.359
  324    H    VAL  59           HN       VAL  59   5.121   4.605   7.238
  325    HA   VAL  59           HA       VAL  59   7.280   6.249   6.221
  326    HB   VAL  59           HB       VAL  59   5.566   4.317   4.663
  327   1HG1  VAL  59          HG11      VAL  59   7.316   6.066   3.693
  328   2HG1  VAL  59          HG12      VAL  59   7.104   4.458   3.001
  329   3HG1  VAL  59          HG13      VAL  59   8.439   4.770   4.110
  330   1HG2  VAL  59          HG21      VAL  59   8.189   3.582   5.917
  331   2HG2  VAL  59          HG22      VAL  59   6.941   2.527   5.252
  332   3HG2  VAL  59          HG23      VAL  59   6.667   3.362   6.779
  333    H    GLU  60           HN       GLU  60   6.290   8.321   6.336
  334    HA   GLU  60           HA       GLU  60   3.997   8.778   4.582
  335   1HB   GLU  60          HB2       GLU  60   4.043   9.665   6.948
  336   2HB   GLU  60          HB1       GLU  60   5.300  10.776   6.428
  337   1HG   GLU  60          HG2       GLU  60   2.570  10.639   5.177
  338   2HG   GLU  60          HG1       GLU  60   3.000  11.734   6.489
  339    HA   PRO  61           HA       PRO  61   7.389  11.941   2.966
  340   1HB   PRO  61          HB2       PRO  61   9.814  10.346   3.576
  341   2HB   PRO  61          HB1       PRO  61   9.557  12.090   3.689
  342   1HG   PRO  61          HG2       PRO  61   9.692  10.583   5.885
  343   2HG   PRO  61          HG1       PRO  61   8.558  11.942   5.774
  344   1HD   PRO  61          HD2       PRO  61   8.036   9.008   5.496
  345   2HD   PRO  61          HD1       PRO  61   7.065  10.254   6.305
  346    H    GLY  62           HN       GLY  62   9.695  11.051   1.517
  347   1HA   GLY  62          HA2       GLY  62   8.408   9.709  -0.645
  348   2HA   GLY  62          HA1       GLY  62  10.110  10.135  -0.555
  349    H    SER  63           HN       SER  63   9.501   8.439   2.188
  350    HA   SER  63           HA       SER  63  10.950   6.163   1.369
  351   1HB   SER  63          HB2       SER  63   9.261   6.596   3.838
  352   2HB   SER  63          HB1       SER  63  10.437   5.304   3.615
  353    HG   SER  63           HG       SER  63  10.826   7.983   4.163
  354    H    GLN  64           HN       GLN  64   7.711   6.933   0.836
  355    HA   GLN  64           HA       GLN  64   6.671   4.250   1.041
  356   1HB   GLN  64          HB2       GLN  64   5.497   6.786  -0.092
  357   2HB   GLN  64          HB1       GLN  64   4.638   5.260  -0.010
  358   1HG   GLN  64          HG2       GLN  64   4.344   5.367   2.244
  359   2HG   GLN  64          HG1       GLN  64   5.813   6.312   2.495
  360   1HE2  GLN  64          HE21      GLN  64   5.240   8.334   0.561
  361   2HE2  GLN  64          HE22      GLN  64   3.947   9.290   1.184
  362    H    ARG  65           HN       ARG  65   8.070   3.098  -0.398
  363    HA   ARG  65           HA       ARG  65   7.691   3.725  -3.246
  364   1HB   ARG  65          HB2       ARG  65   9.735   2.014  -1.830
  365   2HB   ARG  65          HB1       ARG  65   9.577   2.082  -3.579
  366   1HG   ARG  65          HG2       ARG  65   9.980   4.540  -3.445
  367   2HG   ARG  65          HG1       ARG  65  10.327   4.330  -1.728
  368   1HD   ARG  65          HD2       ARG  65  12.160   2.832  -2.254
  369   2HD   ARG  65          HD1       ARG  65  11.784   2.941  -3.973
  370    HE   ARG  65           HE       ARG  65  12.338   5.476  -2.721
  371   1HH1  ARG  65          HH11      ARG  65  13.713   2.708  -4.343
  372   2HH1  ARG  65          HH12      ARG  65  15.126   3.560  -4.866
  373   1HH2  ARG  65          HH21      ARG  65  14.197   6.597  -3.409
  374   2HH2  ARG  65          HH22      ARG  65  15.401   5.767  -4.336
  375    H    TRP  66           HN       TRP  66   5.762   2.816  -3.762
  376    HA   TRP  66           HA       TRP  66   5.062   0.154  -2.838
  377   1HB   TRP  66          HB2       TRP  66   3.389   1.465  -4.902
  378   2HB   TRP  66          HB1       TRP  66   2.916   0.660  -3.409
  379    HD1  TRP  66           HD1      TRP  66   3.361   2.202  -1.095
  380    HE1  TRP  66           HE1      TRP  66   3.005   4.732  -0.786
  381    HE3  TRP  66           HE3      TRP  66   3.392   3.632  -6.002
  382    HZ2  TRP  66           HZ2      TRP  66   2.764   7.029  -2.407
  383    HZ3  TRP  66           HZ3      TRP  66   3.091   6.015  -6.538
  384    HH2  TRP  66           HH2      TRP  66   2.783   7.677  -4.776
  385    H    PHE  67           HN       PHE  67   5.138  -1.689  -3.992
  386    HA   PHE  67           HA       PHE  67   5.456  -1.649  -6.869
  387   1HB   PHE  67          HB2       PHE  67   7.631  -2.579  -5.011
  388   2HB   PHE  67          HB1       PHE  67   7.498  -3.187  -6.659
  389    HD1  PHE  67           HD1      PHE  67   8.224  -1.915  -8.499
  390    HD2  PHE  67           HD2      PHE  67   8.031  -0.141  -4.636
  391    HE1  PHE  67           HE1      PHE  67   9.476   0.032  -9.336
  392    HE2  PHE  67           HE2      PHE  67   9.282   1.809  -5.467
  393    HZ   PHE  67           HZ       PHE  67  10.006   1.896  -7.817
  394    H    PHE  68           HN       PHE  68   4.315  -3.255  -7.696
  395    HA   PHE  68           HA       PHE  68   3.921  -5.702  -6.107
  396   1HB   PHE  68          HB2       PHE  68   1.872  -4.303  -6.157
  397   2HB   PHE  68          HB1       PHE  68   1.892  -4.386  -7.915
  398    HD1  PHE  68           HD1      PHE  68   0.911  -6.180  -9.043
  399    HD2  PHE  68           HD2      PHE  68   1.613  -6.453  -4.855
  400    HE1  PHE  68           HE1      PHE  68  -0.403  -8.258  -8.963
  401    HE2  PHE  68           HE2      PHE  68   0.301  -8.533  -4.767
  402    HZ   PHE  68           HZ       PHE  68  -0.709  -9.438  -6.823
  403    H    SER  69           HN       SER  69   4.357  -7.563  -7.135
  404    HA   SER  69           HA       SER  69   4.962  -9.036  -8.758
  405   1HB   SER  69          HB2       SER  69   2.852  -8.378  -9.857
  406   2HB   SER  69          HB1       SER  69   3.689  -7.052 -10.661
  407    HG   SER  69           HG       SER  69   3.470  -9.545 -11.478
  408    H    GLY  70           HN       GLY  70   6.372  -6.201  -8.229
  409   1HA   GLY  70          HA2       GLY  70   8.720  -5.959  -8.599
  410   2HA   GLY  70          HA1       GLY  70   8.526  -6.769 -10.153
  411    H    ARG  71           HN       ARG  71   5.989  -4.696  -9.933
  412    HA   ARG  71           HA       ARG  71   7.491  -2.539 -11.262
  413   1HB   ARG  71          HB2       ARG  71   4.739  -3.643 -11.791
  414   2HB   ARG  71          HB1       ARG  71   5.226  -2.055 -12.367
  415   1HG   ARG  71          HG2       ARG  71   5.585  -3.478 -14.176
  416   2HG   ARG  71          HG1       ARG  71   7.187  -3.241 -13.477
  417   1HD   ARG  71          HD2       ARG  71   6.983  -5.378 -12.298
  418   2HD   ARG  71          HD1       ARG  71   5.384  -5.613 -13.003
  419    HE   ARG  71           HE       ARG  71   7.470  -5.212 -14.943
  420   1HH1  ARG  71          HH11      ARG  71   5.783  -7.565 -12.995
  421   2HH1  ARG  71          HH12      ARG  71   6.167  -8.891 -14.041
  422   1HH2  ARG  71          HH21      ARG  71   7.978  -6.952 -16.319
  423   2HH2  ARG  71          HH22      ARG  71   7.415  -8.543 -15.928
  424    HA   PRO  72           HA       PRO  72   6.047   0.220  -8.138
  425   1HB   PRO  72          HB2       PRO  72   5.933   2.558  -9.518
  426   2HB   PRO  72          HB1       PRO  72   7.455   1.807  -9.025
  427   1HG   PRO  72          HG2       PRO  72   6.080   1.733 -11.683
  428   2HG   PRO  72          HG1       PRO  72   7.801   1.952 -11.319
  429   1HD   PRO  72          HD2       PRO  72   6.774  -0.420 -12.121
  430   2HD   PRO  72          HD1       PRO  72   8.154  -0.304 -11.009
  431    H    LEU  73           HN       LEU  73   4.034   0.199  -7.362
  432    HA   LEU  73           HA       LEU  73   1.746   0.097  -9.060
  433   1HB   LEU  73          HB2       LEU  73   2.111   0.313  -6.090
  434   2HB   LEU  73          HB1       LEU  73   0.521   0.413  -6.817
  435   1HD1  LEU  73          HD21      LEU  73  -0.592  -1.726  -6.202
  436   2HD1  LEU  73          HD22      LEU  73   0.609  -1.454  -4.942
  437   3HD1  LEU  73          HD23      LEU  73   0.489  -3.032  -5.718
  438   1HD2  LEU  73          HD11      LEU  73   0.518  -3.014  -8.170
  439   2HD2  LEU  73          HD12      LEU  73   1.897  -2.190  -8.894
  440   3HD2  LEU  73          HD13      LEU  73   0.344  -1.366  -8.770
  441    H    THR  74           HN       THR  74  -0.093   1.543  -8.922
  442    HA   THR  74           HA       THR  74   0.774   4.342  -8.894
  443    HB   THR  74           HB       THR  74  -1.031   4.847 -10.353
  444    HG1  THR  74           HG1      THR  74  -2.691   3.416 -10.759
  445   1HG2  THR  74          HG21      THR  74   0.867   3.777 -11.453
  446   2HG2  THR  74          HG22      THR  74  -0.643   3.337 -12.253
  447   3HG2  THR  74          HG23      THR  74   0.150   2.191 -11.172
  448    H    ASP  75           HN       ASP  75  -1.425   5.714  -8.613
  449    HA   ASP  75           HA       ASP  75  -2.173   5.340  -5.838
  450   1HB   ASP  75          HB2       ASP  75  -3.186   7.646  -6.163
  451   2HB   ASP  75          HB1       ASP  75  -1.438   7.548  -6.367
  452    H    LYS  76           HN       LYS  76  -3.301   3.701  -8.098
  453    HA   LYS  76           HA       LYS  76  -6.066   3.878  -7.291
  454   1HB   LYS  76          HB2       LYS  76  -5.162   4.469 -10.100
  455   2HB   LYS  76          HB1       LYS  76  -6.796   3.916  -9.744
  456   1HG   LYS  76          HG2       LYS  76  -7.120   5.871  -8.291
  457   2HG   LYS  76          HG1       LYS  76  -5.497   6.427  -8.700
  458   1HD   LYS  76          HD2       LYS  76  -7.753   6.007 -10.659
  459   2HD   LYS  76          HD1       LYS  76  -7.220   7.566 -10.027
  460   1HE   LYS  76          HE2       LYS  76  -5.555   5.653 -11.662
  461   2HE   LYS  76          HE1       LYS  76  -6.299   7.139 -12.252
  462   1HZ   LYS  76          HZ1       LYS  76  -4.224   6.971 -10.132
  463   2HZ   LYS  76          HZ2       LYS  76  -4.932   8.395 -10.708
  464   3HZ   LYS  76          HZ3       LYS  76  -3.963   7.459 -11.731
  465    H    MET  77           HN       MET  77  -4.016   1.947  -6.965
  466    HA   MET  77           HA       MET  77  -4.435  -0.145  -8.892
  467   1HB   MET  77          HB2       MET  77  -2.896  -0.003  -6.315
  468   2HB   MET  77          HB1       MET  77  -3.038  -1.488  -7.245
  469   1HG   MET  77          HG2       MET  77  -1.840   1.100  -8.204
  470   2HG   MET  77          HG1       MET  77  -0.957  -0.344  -7.716
  471   1HE   MET  77          HE1       MET  77  -3.469   1.230  -9.886
  472   2HE   MET  77          HE2       MET  77  -3.738   0.145 -11.250
  473   3HE   MET  77          HE3       MET  77  -2.370   1.259 -11.264
  474    H    LYS  78           HN       LYS  78  -5.604   0.482  -5.585
  475    HA   LYS  78           HA       LYS  78  -6.557  -2.086  -5.095
  476   1HB   LYS  78          HB2       LYS  78  -6.410  -0.265  -3.403
  477   2HB   LYS  78          HB1       LYS  78  -7.882   0.415  -4.089
  478   1HG   LYS  78          HG2       LYS  78  -8.135  -2.407  -3.459
  479   2HG   LYS  78          HG1       LYS  78  -7.700  -1.435  -2.059
  480   1HD   LYS  78          HD2       LYS  78  -9.969  -1.246  -1.943
  481   2HD   LYS  78          HD1       LYS  78  -9.623   0.124  -2.996
  482   1HE   LYS  78          HE2       LYS  78 -11.512  -1.424  -3.701
  483   2HE   LYS  78          HE1       LYS  78 -10.301  -1.043  -4.912
  484   1HZ   LYS  78          HZ1       LYS  78  -9.378  -3.150  -4.769
  485   2HZ   LYS  78          HZ2       LYS  78 -11.035  -3.461  -4.644
  486   3HZ   LYS  78          HZ3       LYS  78 -10.068  -3.471  -3.258
  487    H    PHE  79           HN       PHE  79  -8.603   0.687  -6.007
  488    HA   PHE  79           HA       PHE  79 -10.847  -0.780  -6.664
  489   1HB   PHE  79          HB2       PHE  79 -10.829   1.674  -6.411
  490   2HB   PHE  79          HB1       PHE  79  -9.941   1.819  -7.921
  491    HD1  PHE  79           HD1      PHE  79 -12.865  -0.302  -7.017
  492    HD2  PHE  79           HD2      PHE  79 -11.345   2.863  -9.422
  493    HE1  PHE  79           HE1      PHE  79 -14.990  -0.229  -8.256
  494    HE2  PHE  79           HE2      PHE  79 -13.468   2.943 -10.665
  495    HZ   PHE  79           HZ       PHE  79 -15.293   1.396 -10.082
  496    H    GLU  80           HN       GLU  80  -7.877  -0.680  -8.392
  497    HA   GLU  80           HA       GLU  80  -9.132  -1.306 -10.945
  498   1HB   GLU  80          HB2       GLU  80  -6.329  -0.731 -10.076
  499   2HB   GLU  80          HB1       GLU  80  -6.615  -1.548 -11.607
  500   1HG   GLU  80          HG2       GLU  80  -8.095   0.339 -12.262
  501   2HG   GLU  80          HG1       GLU  80  -7.606   1.171 -10.787
  502    H    GLU  81           HN       GLU  81  -7.735  -2.984  -8.276
  503    HA   GLU  81           HA       GLU  81  -7.288  -5.401  -9.850
  504   1HB   GLU  81          HB2       GLU  81  -5.622  -4.643  -8.104
  505   2HB   GLU  81          HB1       GLU  81  -6.840  -5.000  -6.888
  506   1HG   GLU  81          HG2       GLU  81  -5.243  -6.814  -7.092
  507   2HG   GLU  81          HG1       GLU  81  -6.858  -7.335  -7.571
  508    H    LEU  82           HN       LEU  82  -8.855  -4.474  -6.833
  509    HA   LEU  82           HA       LEU  82 -10.878  -4.924  -5.949
  510   1HB   LEU  82          HB2       LEU  82 -11.472  -6.309  -8.559
  511   2HB   LEU  82          HB1       LEU  82 -12.620  -5.954  -7.301
  512    HG   LEU  82           HG       LEU  82 -12.974  -4.329  -8.961
  513   1HD1  LEU  82          HD11      LEU  82 -11.286  -3.095  -6.793
  514   2HD1  LEU  82          HD12      LEU  82 -13.011  -3.446  -6.699
  515   3HD1  LEU  82          HD13      LEU  82 -12.418  -2.234  -7.836
  516   1HD2  LEU  82          HD21      LEU  82 -10.652  -4.745  -9.974
  517   2HD2  LEU  82          HD22      LEU  82 -10.110  -3.466  -8.885
  518   3HD2  LEU  82          HD23      LEU  82 -11.344  -3.128 -10.099
  519    H    LYS  83           HN       LYS  83  -8.728  -7.296  -7.035
  520    HA   LYS  83           HA       LYS  83 -10.071  -9.403  -5.519
  521   1HB   LYS  83          HB2       LYS  83  -7.549  -9.790  -7.083
  522   2HB   LYS  83          HB1       LYS  83  -8.792 -10.965  -6.702
  523   1HG   LYS  83          HG2       LYS  83  -9.293  -8.651  -8.544
  524   2HG   LYS  83          HG1       LYS  83  -8.614 -10.180  -9.111
  525   1HD   LYS  83          HD2       LYS  83 -10.880 -10.484  -9.473
  526   2HD   LYS  83          HD1       LYS  83 -10.645 -11.236  -7.894
  527   1HE   LYS  83          HE2       LYS  83 -11.364  -9.132  -6.831
  528   2HE   LYS  83          HE1       LYS  83 -11.695  -8.463  -8.426
  529   1HZ   LYS  83          HZ1       LYS  83 -13.704  -9.314  -7.396
  530   2HZ   LYS  83          HZ2       LYS  83 -13.010 -10.849  -7.241
  531   3HZ   LYS  83          HZ3       LYS  83 -13.325 -10.215  -8.778
  532    H    ILE  84           HN       ILE  84  -8.047  -6.958  -4.900
  533    HA   ILE  84           HA       ILE  84  -5.908  -8.167  -3.583
  534    HB   ILE  84           HB       ILE  84  -5.592  -5.976  -2.436
  535   1HG1  ILE  84          HG12      ILE  84  -7.002  -4.114  -3.631
  536   2HG1  ILE  84          HG11      ILE  84  -8.179  -5.401  -3.831
  537   1HG2  ILE  84          HG21      ILE  84  -4.494  -6.479  -4.526
  538   2HG2  ILE  84          HG22      ILE  84  -4.985  -4.785  -4.498
  539   3HG2  ILE  84          HG23      ILE  84  -5.917  -5.958  -5.428
  540   1HD1  ILE  84          HD11      ILE  84  -8.461  -3.918  -1.818
  541   2HD1  ILE  84          HD12      ILE  84  -7.008  -4.676  -1.166
  542   3HD1  ILE  84          HD13      ILE  84  -8.437  -5.650  -1.500
  543    HA   PRO  85           HA       PRO  85  -8.665  -7.717   0.382
  544   1HB   PRO  85          HB2       PRO  85 -11.248  -8.707  -0.591
  545   2HB   PRO  85          HB1       PRO  85 -10.892  -7.275   0.376
  546   1HG   PRO  85          HG2       PRO  85 -11.692  -7.113  -2.193
  547   2HG   PRO  85          HG1       PRO  85 -10.568  -5.944  -1.475
  548   1HD   PRO  85          HD2       PRO  85  -9.989  -8.285  -3.255
  549   2HD   PRO  85          HD1       PRO  85  -9.302  -6.649  -3.283
  550    H    LYS  86           HN       LYS  86  -7.040  -9.688  -0.281
  551    HA   LYS  86           HA       LYS  86  -8.186 -11.961   0.976
  552   1HB   LYS  86          HB2       LYS  86  -9.051 -12.114  -1.408
  553   2HB   LYS  86          HB1       LYS  86  -7.394 -12.422  -1.898
  554   1HG   LYS  86          HG2       LYS  86  -8.916 -14.098   0.085
  555   2HG   LYS  86          HG1       LYS  86  -8.776 -14.462  -1.634
  556   1HD   LYS  86          HD2       LYS  86  -6.277 -14.452  -1.322
  557   2HD   LYS  86          HD1       LYS  86  -6.572 -14.365   0.416
  558   1HE   LYS  86          HE2       LYS  86  -6.183 -16.662  -0.263
  559   2HE   LYS  86          HE1       LYS  86  -7.840 -16.456   0.302
  560   1HZ   LYS  86          HZ1       LYS  86  -8.600 -16.392  -1.965
  561   2HZ   LYS  86          HZ2       LYS  86  -7.685 -17.795  -1.731
  562   3HZ   LYS  86          HZ3       LYS  86  -7.015 -16.476  -2.551
  563    H    ASP  87           HN       ASP  87  -5.702 -12.257  -1.533
  564    HA   ASP  87           HA       ASP  87  -3.741 -12.664   0.625
  565   1HB   ASP  87          HB2       ASP  87  -4.276 -14.718  -0.615
  566   2HB   ASP  87          HB1       ASP  87  -3.794 -13.936  -2.117
  567    H    TYR  88           HN       TYR  88  -4.402 -10.981  -2.343
  568    HA   TYR  88           HA       TYR  88  -1.966 -10.311  -3.345
  569   1HB   TYR  88          HB2       TYR  88  -4.440  -8.637  -3.028
  570   2HB   TYR  88          HB1       TYR  88  -3.006  -8.011  -3.832
  571    HD1  TYR  88           HD1      TYR  88  -5.537 -10.724  -3.970
  572    HD2  TYR  88           HD2      TYR  88  -2.545  -8.550  -6.073
  573    HE1  TYR  88           HE1      TYR  88  -6.245 -11.790  -6.070
  574    HE2  TYR  88           HE2      TYR  88  -3.245  -9.608  -8.178
  575    HH   TYR  88           HH       TYR  88  -6.139 -11.341  -8.491
  576    H    VAL  89           HN       VAL  89  -0.275  -9.048  -2.870
  577    HA   VAL  89           HA       VAL  89  -0.396  -7.261  -0.560
  578    HB   VAL  89           HB       VAL  89   0.410  -9.405   0.332
  579   1HG1  VAL  89          HG11      VAL  89   2.472 -10.402  -0.402
  580   2HG1  VAL  89          HG12      VAL  89   2.725  -9.109  -1.573
  581   3HG1  VAL  89          HG13      VAL  89   1.389 -10.240  -1.785
  582   1HG2  VAL  89          HG21      VAL  89   2.178  -7.012   0.234
  583   2HG2  VAL  89          HG22      VAL  89   2.788  -8.477   1.003
  584   3HG2  VAL  89          HG23      VAL  89   1.312  -7.721   1.597
  585    H    VAL  90           HN       VAL  90   0.546  -5.372  -1.031
  586    HA   VAL  90           HA       VAL  90   2.150  -5.162  -3.440
  587    HB   VAL  90           HB       VAL  90   1.414  -2.927  -1.535
  588   1HG1  VAL  90          HG11      VAL  90   2.304  -2.911  -4.425
  589   2HG1  VAL  90          HG12      VAL  90   3.272  -2.430  -3.029
  590   3HG1  VAL  90          HG13      VAL  90   1.845  -1.495  -3.473
  591   1HG2  VAL  90          HG21      VAL  90  -0.149  -4.275  -3.667
  592   2HG2  VAL  90          HG22      VAL  90  -0.252  -2.518  -3.562
  593   3HG2  VAL  90          HG23      VAL  90  -0.688  -3.509  -2.173
  594    H    GLN  91           HN       GLN  91   4.299  -4.922  -3.498
  595    HA   GLN  91           HA       GLN  91   5.724  -5.226  -1.006
  596   1HB   GLN  91          HB2       GLN  91   6.295  -6.543  -3.095
  597   2HB   GLN  91          HB1       GLN  91   6.938  -5.044  -3.759
  598   1HG   GLN  91          HG2       GLN  91   7.907  -5.699  -1.080
  599   2HG   GLN  91          HG1       GLN  91   8.369  -6.858  -2.332
  600   1HE2  GLN  91          HE21      GLN  91  10.043  -5.032  -0.825
  601   2HE2  GLN  91          HE22      GLN  91  10.829  -4.021  -1.983
  602    H    VAL  92           HN       VAL  92   6.670  -3.660   0.040
  603    HA   VAL  92           HA       VAL  92   6.804  -1.021  -1.252
  604    HB   VAL  92           HB       VAL  92   6.774  -0.194   1.151
  605   1HG1  VAL  92          HG11      VAL  92   4.231  -1.167   1.314
  606   2HG1  VAL  92          HG12      VAL  92   4.570  -1.323  -0.415
  607   3HG1  VAL  92          HG13      VAL  92   4.709   0.250   0.373
  608   1HG2  VAL  92          HG21      VAL  92   5.702  -2.919   1.735
  609   2HG2  VAL  92          HG22      VAL  92   6.136  -1.638   2.855
  610   3HG2  VAL  92          HG23      VAL  92   7.395  -2.497   1.978
  611    H    ILE  93           HN       ILE  93   8.445   0.446  -0.315
  612    HA   ILE  93           HA       ILE  93  10.801  -0.788   0.848
  613    HB   ILE  93           HB       ILE  93  11.195   0.893  -1.606
  614   1HG1  ILE  93          HG12      ILE  93  10.991  -2.125  -1.522
  615   2HG1  ILE  93          HG11      ILE  93   9.839  -1.043  -2.298
  616   1HG2  ILE  93          HG21      ILE  93  13.380  -0.215  -1.626
  617   2HG2  ILE  93          HG22      ILE  93  12.920  -1.126  -0.187
  618   3HG2  ILE  93          HG23      ILE  93  13.080   0.628  -0.107
  619   1HD1  ILE  93          HD11      ILE  93  12.728  -1.355  -3.079
  620   2HD1  ILE  93          HD12      ILE  93  11.526  -0.348  -3.886
  621   3HD1  ILE  93          HD13      ILE  93  11.357  -2.103  -3.896
  622    H    VAL  94           HN       VAL  94  11.637   0.552   2.307
  623    HA   VAL  94           HA       VAL  94  11.128   3.425   2.059
  624    HB   VAL  94           HB       VAL  94  10.342   3.679   4.268
  625   1HG1  VAL  94          HG11      VAL  94   8.512   2.956   3.053
  626   2HG1  VAL  94          HG12      VAL  94   8.508   1.869   4.441
  627   3HG1  VAL  94          HG13      VAL  94   9.136   1.316   2.891
  628   1HG2  VAL  94          HG21      VAL  94  11.351   0.888   4.738
  629   2HG2  VAL  94          HG22      VAL  94  10.175   1.642   5.812
  630   3HG2  VAL  94          HG23      VAL  94  11.765   2.371   5.598
  631    H    SER  95           HN       SER  95  13.133   4.140   1.715
  632    HA   SER  95           HA       SER  95  15.105   3.726   3.821
  633   1HB   SER  95          HB2       SER  95  15.611   1.984   2.164
  634   2HB   SER  95          HB1       SER  95  15.712   3.209   0.900
  635    HG   SER  95           HG       SER  95  17.607   2.411   2.607
  636    H    GLN  96           HN       GLN  96  13.779   6.007   3.631
  637    HA   GLN  96           HA       GLN  96  15.704   7.850   2.373
  638   1HB   GLN  96          HB2       GLN  96  12.724   8.291   2.640
  639   2HB   GLN  96          HB1       GLN  96  13.875   9.405   1.919
  640   1HG   GLN  96          HG2       GLN  96  13.314   6.642   0.872
  641   2HG   GLN  96          HG1       GLN  96  12.537   8.109   0.281
  642   1HE2  GLN  96          HE21      GLN  96  13.358   7.861  -1.782
  643   2HE2  GLN  96          HE22      GLN  96  15.024   8.125  -2.156
  644    HA   PRO  97           HA       PRO  97  15.309   8.594   6.986
  645   1HB   PRO  97          HB2       PRO  97  17.981   8.575   7.490
  646   2HB   PRO  97          HB1       PRO  97  16.984   7.116   7.521
  647   1HG   PRO  97          HG2       PRO  97  18.768   8.145   5.348
  648   2HG   PRO  97          HG1       PRO  97  18.575   6.486   5.946
  649   1HD   PRO  97          HD2       PRO  97  17.389   7.357   3.678
  650   2HD   PRO  97          HD1       PRO  97  16.642   6.142   4.734
  651    H    VAL  98           HN       VAL  98  17.845   9.825   4.800
  652    HA   VAL  98           HA       VAL  98  17.162  12.548   5.677
  653    HB   VAL  98           HB       VAL  98  19.997  11.690   5.114
  654   1HG1  VAL  98          HG11      VAL  98  18.798  14.146   6.388
  655   2HG1  VAL  98          HG12      VAL  98  19.608  14.051   4.824
  656   3HG1  VAL  98          HG13      VAL  98  20.524  13.798   6.308
  657   1HG2  VAL  98          HG21      VAL  98  19.213  10.459   7.061
  658   2HG2  VAL  98          HG22      VAL  98  18.641  11.957   7.796
  659   3HG2  VAL  98          HG23      VAL  98  20.368  11.703   7.538
  660    H    GLN  99           HN       GLN  99  16.060  11.480   3.444
  661    HA   GLN  99           HA       GLN  99  17.649  12.533   1.206
  662   1HB   GLN  99          HB2       GLN  99  16.948  10.200   0.968
  663   2HB   GLN  99          HB1       GLN  99  15.268  10.671   1.182
  664   1HG   GLN  99          HG2       GLN  99  15.805  10.272  -1.160
  665   2HG   GLN  99          HG1       GLN  99  15.333  11.948  -0.875
  666   1HE2  GLN  99          HE21      GLN  99  17.943   9.794  -1.661
  667   2HE2  GLN  99          HE22      GLN  99  19.057  11.006  -2.186
  668    H    ASN 100           HN       ASN 100  14.975  13.220   3.183
  669    HA   ASN 100           HA       ASN 100  13.191  14.491   1.486
  670   1HB   ASN 100          HB2       ASN 100  12.556  15.847   3.495
  671   2HB   ASN 100          HB1       ASN 100  12.610  14.112   3.786
  672   1HD2  ASN 100          HD21      ASN 100  13.972  17.181   4.534
  673   2HD2  ASN 100          HD22      ASN 100  15.039  16.645   5.783
  Start of MODEL    5
    1    H    GLY  21           H        GLY  21 -16.751  -6.093   8.804
    2   1HA   GLY  21          HA1       GLY  21 -13.892  -5.835   8.045
    3   2HA   GLY  21          HA2       GLY  21 -15.169  -6.454   7.009
    4    H    TYR  22           HN       TYR  22 -14.279  -4.680   5.622
    5    HA   TYR  22           HA       TYR  22 -15.806  -2.227   6.136
    6   1HB   TYR  22          HB2       TYR  22 -12.951  -2.301   5.136
    7   2HB   TYR  22          HB1       TYR  22 -13.944  -0.857   5.308
    8    HD1  TYR  22           HD1      TYR  22 -12.335  -3.601   7.213
    9    HD2  TYR  22           HD2      TYR  22 -14.083   0.273   7.372
   10    HE1  TYR  22           HE1      TYR  22 -11.546  -3.348   9.528
   11    HE2  TYR  22           HE2      TYR  22 -13.299   0.539   9.689
   12    HH   TYR  22           HH       TYR  22 -12.643  -0.886  11.585
   13    H    GLU  23           HN       GLU  23 -13.615  -3.479   3.616
   14    HA   GLU  23           HA       GLU  23 -15.615  -4.045   1.733
   15   1HB   GLU  23          HB2       GLU  23 -15.908  -1.572   1.808
   16   2HB   GLU  23          HB1       GLU  23 -14.244  -1.389   1.274
   17   1HG   GLU  23          HG2       GLU  23 -15.776  -1.112  -0.577
   18   2HG   GLU  23          HG1       GLU  23 -14.781  -2.547  -0.806
   19    H    CYS  24           HN       CYS  24 -12.341  -2.674   1.997
   20    HA   CYS  24           HA       CYS  24 -11.308  -4.969   0.522
   21   1HB   CYS  24          HB2       CYS  24 -10.567  -2.149  -0.282
   22   2HB   CYS  24          HB1       CYS  24 -10.083  -3.645  -1.072
   23    HG   CYS  24           HG       CYS  24 -11.862  -3.192  -2.881
   24    H    GLN  25           HN       GLN  25  -9.018  -5.291   0.813
   25    HA   GLN  25           HA       GLN  25  -7.576  -3.620   2.670
   26   1HB   GLN  25          HB2       GLN  25  -8.128  -6.486   3.455
   27   2HB   GLN  25          HB1       GLN  25  -7.265  -5.273   4.388
   28   1HG   GLN  25          HG2       GLN  25  -9.345  -3.991   4.618
   29   2HG   GLN  25          HG1       GLN  25 -10.199  -5.245   3.720
   30   1HE2  GLN  25          HE21      GLN  25 -10.644  -4.296   6.428
   31   2HE2  GLN  25          HE22      GLN  25 -10.471  -5.670   7.459
   32    H    LEU  26           HN       LEU  26  -5.532  -3.590   1.977
   33    HA   LEU  26           HA       LEU  26  -4.524  -5.965   0.542
   34   1HB   LEU  26          HB2       LEU  26  -5.001  -3.670  -0.682
   35   2HB   LEU  26          HB1       LEU  26  -3.426  -3.259  -0.033
   36    HG   LEU  26           HG       LEU  26  -3.982  -5.635  -1.811
   37   1HD1  LEU  26          HD11      LEU  26  -2.752  -2.958  -2.447
   38   2HD1  LEU  26          HD12      LEU  26  -4.299  -3.570  -3.034
   39   3HD1  LEU  26          HD13      LEU  26  -2.797  -4.347  -3.534
   40   1HD2  LEU  26          HD21      LEU  26  -1.405  -5.404  -2.026
   41   2HD2  LEU  26          HD22      LEU  26  -2.091  -6.225  -0.628
   42   3HD2  LEU  26          HD23      LEU  26  -1.531  -4.560  -0.483
   43    H    ARG  27           HN       ARG  27  -2.577  -6.781   1.066
   44    HA   ARG  27           HA       ARG  27  -1.371  -5.886   3.512
   45   1HB   ARG  27          HB2       ARG  27  -0.691  -8.088   1.573
   46   2HB   ARG  27          HB1       ARG  27   0.246  -7.773   3.025
   47   1HG   ARG  27          HG2       ARG  27  -1.680  -8.240   4.408
   48   2HG   ARG  27          HG1       ARG  27  -2.681  -8.470   2.972
   49   1HD   ARG  27          HD2       ARG  27  -1.328 -10.375   2.310
   50   2HD   ARG  27          HD1       ARG  27  -0.260 -10.120   3.689
   51    HE   ARG  27           HE       ARG  27  -3.001 -10.494   4.441
   52   1HH1  ARG  27          HH11      ARG  27  -0.035 -12.133   3.607
   53   2HH1  ARG  27          HH12      ARG  27  -0.448 -13.582   4.461
   54   1HH2  ARG  27          HH21      ARG  27  -3.546 -12.399   5.566
   55   2HH2  ARG  27          HH22      ARG  27  -2.442 -13.733   5.573
   56    H    LEU  28           HN       LEU  28   0.539  -4.823   3.802
   57    HA   LEU  28           HA       LEU  28   1.950  -3.920   1.368
   58   1HB   LEU  28          HB2       LEU  28   1.239  -2.525   3.904
   59   2HB   LEU  28          HB1       LEU  28   2.695  -2.053   3.065
   60    HG   LEU  28           HG       LEU  28   0.477  -0.778   2.618
   61   1HD1  LEU  28          HD11      LEU  28   2.375  -1.704   0.484
   62   2HD1  LEU  28          HD12      LEU  28   2.510  -0.266   1.496
   63   3HD1  LEU  28          HD13      LEU  28   1.228  -0.378   0.287
   64   1HD2  LEU  28          HD21      LEU  28  -0.798  -1.645   0.734
   65   2HD2  LEU  28          HD22      LEU  28  -0.874  -2.755   2.101
   66   3HD2  LEU  28          HD23      LEU  28   0.181  -3.112   0.732
   67    H    ARG  29           HN       ARG  29   3.723  -5.216   1.230
   68    HA   ARG  29           HA       ARG  29   5.144  -5.951   3.676
   69   1HB   ARG  29          HB2       ARG  29   4.808  -7.613   1.878
   70   2HB   ARG  29          HB1       ARG  29   5.781  -6.627   0.795
   71   1HG   ARG  29          HG2       ARG  29   6.856  -7.687   3.390
   72   2HG   ARG  29          HG1       ARG  29   6.902  -8.625   1.897
   73   1HD   ARG  29          HD2       ARG  29   8.067  -6.615   0.856
   74   2HD   ARG  29          HD1       ARG  29   8.258  -6.010   2.501
   75    HE   ARG  29           HE       ARG  29   9.215  -8.632   2.420
   76   1HH1  ARG  29          HH11      ARG  29  10.016  -5.486   1.143
   77   2HH1  ARG  29          HH12      ARG  29  11.715  -5.810   1.066
   78   1HH2  ARG  29          HH21      ARG  29  11.450  -9.062   2.319
   79   2HH2  ARG  29          HH22      ARG  29  12.530  -7.841   1.733
   80    H    LEU  30           HN       LEU  30   6.200  -4.231   4.500
   81    HA   LEU  30           HA       LEU  30   7.503  -2.354   2.761
   82   1HB   LEU  30          HB2       LEU  30   7.091  -2.531   5.672
   83   2HB   LEU  30          HB1       LEU  30   8.190  -1.364   5.031
   84    HG   LEU  30           HG       LEU  30   5.845  -0.579   5.590
   85   1HD1  LEU  30          HD11      LEU  30   5.769   0.586   3.185
   86   2HD1  LEU  30          HD12      LEU  30   7.430  -0.009   3.201
   87   3HD1  LEU  30          HD13      LEU  30   6.865   1.059   4.482
   88   1HD2  LEU  30          HD21      LEU  30   4.333  -2.082   4.792
   89   2HD2  LEU  30          HD22      LEU  30   5.239  -2.383   3.314
   90   3HD2  LEU  30          HD23      LEU  30   4.327  -0.888   3.496
   91    H    SER  31           HN       SER  31   9.575  -1.960   2.482
   92    HA   SER  31           HA       SER  31  11.360  -4.064   2.354
   93   1HB   SER  31          HB2       SER  31  11.610  -2.038   1.018
   94   2HB   SER  31          HB1       SER  31  11.972  -1.104   2.470
   95    HG   SER  31           HG       SER  31  13.872  -2.239   2.706
   96    H    THR  32           HN       THR  32  10.683  -1.953   5.028
   97    HA   THR  32           HA       THR  32  13.107  -2.657   6.445
   98    HB   THR  32           HB       THR  32  12.137  -0.445   6.818
   99    HG1  THR  32           HG1      THR  32  11.863  -2.066   9.149
  100   1HG2  THR  32          HG21      THR  32  10.018  -0.210   8.060
  101   2HG2  THR  32          HG22      THR  32   9.771  -1.953   7.937
  102   3HG2  THR  32          HG23      THR  32   9.785  -0.959   6.481
  103    H    GLY  33           HN       GLY  33  10.338  -4.271   5.740
  104   1HA   GLY  33          HA2       GLY  33   9.866  -6.457   6.507
  105   2HA   GLY  33          HA1       GLY  33  10.697  -6.075   8.021
  106    H    LYS  34           HN       LYS  34   8.308  -4.138   6.335
  107    HA   LYS  34           HA       LYS  34   6.542  -4.451   8.643
  108   1HB   LYS  34          HB2       LYS  34   7.182  -2.302   8.958
  109   2HB   LYS  34          HB1       LYS  34   7.594  -2.062   7.276
  110   1HG   LYS  34          HG2       LYS  34   5.862  -0.606   7.589
  111   2HG   LYS  34          HG1       LYS  34   5.025  -2.001   6.921
  112   1HD   LYS  34          HD2       LYS  34   5.317  -1.608   9.880
  113   2HD   LYS  34          HD1       LYS  34   3.993  -0.874   8.970
  114   1HE   LYS  34          HE2       LYS  34   3.277  -3.037   8.201
  115   2HE   LYS  34          HE1       LYS  34   4.641  -3.812   9.000
  116   1HZ   LYS  34          HZ1       LYS  34   2.717  -4.071  10.367
  117   2HZ   LYS  34          HZ2       LYS  34   2.374  -2.416  10.312
  118   3HZ   LYS  34          HZ3       LYS  34   3.745  -2.967  11.134
  119    H    ASP  35           HN       ASP  35   5.352  -6.074   7.763
  120    HA   ASP  35           HA       ASP  35   3.836  -5.490   5.317
  121   1HB   ASP  35          HB2       ASP  35   3.347  -7.911   5.275
  122   2HB   ASP  35          HB1       ASP  35   5.084  -7.591   5.265
  123    H    LEU  36           HN       LEU  36   2.050  -4.420   5.866
  124    HA   LEU  36           HA       LEU  36   0.262  -5.653   7.826
  125   1HB   LEU  36          HB2       LEU  36   1.519  -3.734   8.850
  126   2HB   LEU  36          HB1       LEU  36   0.756  -2.681   7.678
  127    HG   LEU  36           HG       LEU  36  -0.290  -2.664   9.952
  128   1HD1  LEU  36          HD11      LEU  36  -2.476  -2.453   9.149
  129   2HD1  LEU  36          HD12      LEU  36  -2.232  -3.673   7.902
  130   3HD1  LEU  36          HD13      LEU  36  -1.456  -2.097   7.755
  131   1HD2  LEU  36          HD21      LEU  36  -0.027  -5.045  10.451
  132   2HD2  LEU  36          HD22      LEU  36  -1.180  -5.439   9.176
  133   3HD2  LEU  36          HD23      LEU  36  -1.709  -4.534  10.593
  134    H    LYS  37           HN       LYS  37  -1.699  -5.924   7.033
  135    HA   LYS  37           HA       LYS  37  -2.358  -4.850   4.450
  136   1HB   LYS  37          HB2       LYS  37  -3.121  -7.000   4.583
  137   2HB   LYS  37          HB1       LYS  37  -3.489  -6.876   6.291
  138   1HG   LYS  37          HG2       LYS  37  -5.506  -5.602   5.768
  139   2HG   LYS  37          HG1       LYS  37  -5.116  -5.687   4.049
  140   1HD   LYS  37          HD2       LYS  37  -6.783  -7.361   4.635
  141   2HD   LYS  37          HD1       LYS  37  -5.274  -8.133   4.145
  142   1HE   LYS  37          HE2       LYS  37  -6.224  -9.224   6.110
  143   2HE   LYS  37          HE1       LYS  37  -4.676  -8.469   6.486
  144   1HZ   LYS  37          HZ1       LYS  37  -6.314  -8.053   8.212
  145   2HZ   LYS  37          HZ2       LYS  37  -7.347  -7.319   7.092
  146   3HZ   LYS  37          HZ3       LYS  37  -5.859  -6.606   7.462
  147    H    LEU  38           HN       LEU  38  -2.883  -2.783   4.389
  148    HA   LEU  38           HA       LEU  38  -4.387  -1.532   6.511
  149   1HB   LEU  38          HB2       LEU  38  -2.812  -0.067   5.660
  150   2HB   LEU  38          HB1       LEU  38  -3.040  -0.621   4.010
  151    HG   LEU  38           HG       LEU  38  -5.267   0.560   4.016
  152   1HD1  LEU  38          HD11      LEU  38  -5.541   0.665   6.458
  153   2HD1  LEU  38          HD12      LEU  38  -5.658   2.254   5.703
  154   3HD1  LEU  38          HD13      LEU  38  -4.184   1.786   6.550
  155   1HD2  LEU  38          HD21      LEU  38  -3.159   1.461   3.034
  156   2HD2  LEU  38          HD22      LEU  38  -2.897   2.341   4.540
  157   3HD2  LEU  38          HD23      LEU  38  -4.312   2.693   3.548
  158    H    VAL  39           HN       VAL  39  -6.497  -1.005   6.505
  159    HA   VAL  39           HA       VAL  39  -8.233  -2.311   4.663
  160    HB   VAL  39           HB       VAL  39 -10.061  -1.251   5.904
  161   1HG1  VAL  39          HG11      VAL  39  -9.647  -2.276   8.055
  162   2HG1  VAL  39          HG12      VAL  39  -7.911  -2.276   7.752
  163   3HG1  VAL  39          HG13      VAL  39  -8.976  -3.286   6.776
  164   1HG2  VAL  39          HG21      VAL  39  -9.462   0.157   7.902
  165   2HG2  VAL  39          HG22      VAL  39  -9.218   0.930   6.337
  166   3HG2  VAL  39          HG23      VAL  39  -7.837   0.290   7.229
  167    H    VAL  40           HN       VAL  40  -8.820  -1.614   2.737
  168    HA   VAL  40           HA       VAL  40  -8.976   1.282   2.249
  169    HB   VAL  40           HB       VAL  40  -8.209   0.851  -0.087
  170   1HG1  VAL  40          HG11      VAL  40  -6.670   1.707   1.605
  171   2HG1  VAL  40          HG12      VAL  40  -5.842   0.653   0.460
  172   3HG1  VAL  40          HG13      VAL  40  -6.255   0.056   2.066
  173   1HG2  VAL  40          HG21      VAL  40  -7.328  -1.838   0.939
  174   2HG2  VAL  40          HG22      VAL  40  -7.201  -1.211  -0.706
  175   3HG2  VAL  40          HG23      VAL  40  -8.783  -1.593  -0.026
  176    H    ARG  41           HN       ARG  41 -10.311   1.755   0.251
  177    HA   ARG  41           HA       ARG  41 -12.273  -0.241  -0.429
  178   1HB   ARG  41          HB2       ARG  41 -13.220   0.685   1.607
  179   2HB   ARG  41          HB1       ARG  41 -13.036   2.316   0.983
  180   1HG   ARG  41          HG2       ARG  41 -14.629   0.491  -0.687
  181   2HG   ARG  41          HG1       ARG  41 -15.324   0.903   0.882
  182   1HD   ARG  41          HD2       ARG  41 -14.902   3.318   0.305
  183   2HD   ARG  41          HD1       ARG  41 -14.501   2.780  -1.324
  184    HE   ARG  41           HE       ARG  41 -16.933   1.691  -0.921
  185   1HH1  ARG  41          HH11      ARG  41 -15.701   4.933  -0.531
  186   2HH1  ARG  41          HH12      ARG  41 -17.219   5.687  -0.885
  187   1HH2  ARG  41          HH21      ARG  41 -18.930   2.680  -1.386
  188   2HH2  ARG  41          HH22      ARG  41 -19.053   4.408  -1.371
  189    H    SER  42           HN       SER  42 -11.729  -0.109  -2.516
  190    HA   SER  42           HA       SER  42 -11.381   0.675  -4.611
  191   1HB   SER  42          HB2       SER  42 -13.371   1.793  -5.546
  192   2HB   SER  42          HB1       SER  42 -13.790   0.419  -4.523
  193    HG   SER  42           HG       SER  42 -14.883   2.636  -4.273
  194    H    THR  43           HN       THR  43 -12.329   3.511  -2.635
  195    HA   THR  43           HA       THR  43 -10.853   5.252  -4.409
  196    HB   THR  43           HB       THR  43 -12.956   6.073  -3.481
  197    HG1  THR  43           HG1      THR  43 -10.702   7.447  -2.396
  198   1HG2  THR  43          HG21      THR  43 -11.583   5.761  -0.810
  199   2HG2  THR  43          HG22      THR  43 -13.013   4.896  -1.373
  200   3HG2  THR  43          HG23      THR  43 -13.096   6.630  -1.065
  201    H    ASP  44           HN       ASP  44 -10.159   3.343  -1.709
  202    HA   ASP  44           HA       ASP  44  -7.998   5.098  -0.813
  203   1HB   ASP  44          HB2       ASP  44  -8.967   2.478   0.335
  204   2HB   ASP  44          HB1       ASP  44  -7.724   3.502   1.040
  205    H    THR  45           HN       THR  45  -7.733   4.000  -3.394
  206    HA   THR  45           HA       THR  45  -6.241   1.654  -3.620
  207    HB   THR  45           HB       THR  45  -5.403   2.554  -5.730
  208    HG1  THR  45           HG1      THR  45  -6.578   5.016  -4.899
  209   1HG2  THR  45          HG21      THR  45  -8.237   2.723  -4.953
  210   2HG2  THR  45          HG22      THR  45  -7.476   1.840  -6.277
  211   3HG2  THR  45          HG23      THR  45  -7.817   3.562  -6.445
  212    H    VAL  46           HN       VAL  46  -3.893   1.655  -4.353
  213    HA   VAL  46           HA       VAL  46  -2.077   1.808  -2.503
  214    HB   VAL  46           HB       VAL  46  -1.839   2.353  -5.408
  215   1HG1  VAL  46          HG11      VAL  46   0.433   2.786  -3.477
  216   2HG1  VAL  46          HG12      VAL  46  -0.242   3.952  -4.617
  217   3HG1  VAL  46          HG13      VAL  46   0.629   2.539  -5.214
  218   1HG2  VAL  46          HG21      VAL  46  -1.971   0.073  -4.551
  219   2HG2  VAL  46          HG22      VAL  46  -0.560   0.348  -3.526
  220   3HG2  VAL  46          HG23      VAL  46  -0.395   0.367  -5.283
  221    H    PHE  47           HN       PHE  47  -3.242   4.749  -4.075
  222    HA   PHE  47           HA       PHE  47  -1.292   6.511  -3.020
  223   1HB   PHE  47          HB2       PHE  47  -2.782   7.177  -4.845
  224   2HB   PHE  47          HB1       PHE  47  -4.174   7.059  -3.778
  225    HD1  PHE  47           HD1      PHE  47  -4.484   8.696  -1.968
  226    HD2  PHE  47           HD2      PHE  47  -1.346   9.075  -4.817
  227    HE1  PHE  47           HE1      PHE  47  -4.186  11.051  -1.320
  228    HE2  PHE  47           HE2      PHE  47  -1.042  11.430  -4.175
  229    HZ   PHE  47           HZ       PHE  47  -2.463  12.422  -2.424
  230    H    HIS  48           HN       HIS  48  -4.699   6.240  -2.006
  231    HA   HIS  48           HA       HIS  48  -4.269   7.379   0.524
  232   1HB   HIS  48          HB2       HIS  48  -6.378   5.375  -0.281
  233   2HB   HIS  48          HB1       HIS  48  -6.425   6.416   1.142
  234    HD1  HIS  48           HD1      HIS  48  -7.649   8.552   0.854
  235    HD2  HIS  48           HD2      HIS  48  -6.388   6.983  -2.782
  236    HE1  HIS  48           HE1      HIS  48  -8.607  10.075  -0.903
  237    HE2  HIS  48           HE2      HIS  48  -7.884   9.070  -3.098
  238    H    MET  49           HN       MET  49  -4.269   4.066  -0.661
  239    HA   MET  49           HA       MET  49  -3.922   2.604   1.598
  240   1HB   MET  49          HB2       MET  49  -3.826   1.925  -0.952
  241   2HB   MET  49          HB1       MET  49  -2.093   2.068  -0.700
  242   1HG   MET  49          HG2       MET  49  -2.192   0.420   1.081
  243   2HG   MET  49          HG1       MET  49  -3.937   0.285   0.869
  244   1HE   MET  49          HE1       MET  49  -4.161   0.486  -2.320
  245   2HE   MET  49          HE2       MET  49  -5.080  -0.669  -1.352
  246   3HE   MET  49          HE3       MET  49  -4.163  -1.223  -2.754
  247    H    LYS  50           HN       LYS  50  -1.563   4.416  -0.236
  248    HA   LYS  50           HA       LYS  50   0.627   3.935   1.527
  249   1HB   LYS  50          HB2       LYS  50   0.149   5.757  -0.804
  250   2HB   LYS  50          HB1       LYS  50   1.555   5.996   0.221
  251   1HG   LYS  50          HG2       LYS  50   0.881   3.522  -1.347
  252   2HG   LYS  50          HG1       LYS  50   2.166   4.681  -1.687
  253   1HD   LYS  50          HD2       LYS  50   3.159   4.111   0.534
  254   2HD   LYS  50          HD1       LYS  50   1.950   2.835   0.684
  255   1HE   LYS  50          HE2       LYS  50   3.978   3.074  -1.533
  256   2HE   LYS  50          HE1       LYS  50   4.096   1.987  -0.149
  257   1HZ   LYS  50          HZ1       LYS  50   1.936   1.941  -2.188
  258   2HZ   LYS  50          HZ2       LYS  50   2.086   0.880  -0.881
  259   3HZ   LYS  50          HZ3       LYS  50   3.236   0.863  -2.117
  260    H    ARG  51           HN       ARG  51  -1.845   6.376   1.134
  261    HA   ARG  51           HA       ARG  51  -0.867   8.388   2.754
  262   1HB   ARG  51          HB2       ARG  51  -2.928   8.545   1.372
  263   2HB   ARG  51          HB1       ARG  51  -3.751   7.522   2.541
  264   1HG   ARG  51          HG2       ARG  51  -4.333   9.811   2.944
  265   2HG   ARG  51          HG1       ARG  51  -3.336   9.226   4.277
  266   1HD   ARG  51          HD2       ARG  51  -1.382  10.310   3.305
  267   2HD   ARG  51          HD1       ARG  51  -2.352  10.861   1.940
  268    HE   ARG  51           HE       ARG  51  -3.520  11.770   4.329
  269   1HH1  ARG  51          HH11      ARG  51  -0.697  12.311   2.350
  270   2HH1  ARG  51          HH12      ARG  51  -0.513  13.960   2.845
  271   1HH2  ARG  51          HH21      ARG  51  -3.281  13.937   4.980
  272   2HH2  ARG  51          HH22      ARG  51  -1.980  14.884   4.338
  273    H    ARG  52           HN       ARG  52  -3.306   6.005   3.730
  274    HA   ARG  52           HA       ARG  52  -2.977   6.395   6.486
  275   1HB   ARG  52          HB2       ARG  52  -4.033   3.999   4.978
  276   2HB   ARG  52          HB1       ARG  52  -4.163   4.209   6.719
  277   1HG   ARG  52          HG2       ARG  52  -5.487   6.242   6.359
  278   2HG   ARG  52          HG1       ARG  52  -5.381   5.989   4.615
  279   1HD   ARG  52          HD2       ARG  52  -7.506   5.176   5.459
  280   2HD   ARG  52          HD1       ARG  52  -6.525   3.834   4.872
  281    HE   ARG  52           HE       ARG  52  -5.967   3.954   7.536
  282   1HH1  ARG  52          HH11      ARG  52  -8.901   3.681   5.665
  283   2HH1  ARG  52          HH12      ARG  52  -9.740   2.776   6.880
  284   1HH2  ARG  52          HH21      ARG  52  -7.068   2.763   9.135
  285   2HH2  ARG  52          HH22      ARG  52  -8.699   2.255   8.850
  286    H    LEU  53           HN       LEU  53  -1.198   4.540   4.138
  287    HA   LEU  53           HA       LEU  53   0.090   2.712   5.814
  288   1HB   LEU  53          HB2       LEU  53   0.381   3.667   3.151
  289   2HB   LEU  53          HB1       LEU  53   1.963   3.610   3.894
  290    HG   LEU  53           HG       LEU  53   1.332   1.543   2.642
  291   1HD1  LEU  53          HD11      LEU  53   1.838   1.274   5.600
  292   2HD1  LEU  53          HD12      LEU  53   3.046   1.440   4.326
  293   3HD1  LEU  53          HD13      LEU  53   2.053  -0.015   4.417
  294   1HD2  LEU  53          HD21      LEU  53  -0.845   0.997   2.918
  295   2HD2  LEU  53          HD22      LEU  53  -0.921   1.653   4.551
  296   3HD2  LEU  53          HD23      LEU  53  -0.206   0.066   4.273
  297    H    HIS  54           HN       HIS  54   0.884   6.059   5.010
  298    HA   HIS  54           HA       HIS  54   3.246   6.160   6.558
  299   1HB   HIS  54          HB2       HIS  54   3.291   8.441   6.105
  300   2HB   HIS  54          HB1       HIS  54   2.373   7.813   4.743
  301    HD1  HIS  54           HD1      HIS  54   0.509   9.313   4.187
  302    HD2  HIS  54           HD2      HIS  54   1.241   9.250   8.277
  303    HE1  HIS  54           HE1      HIS  54  -1.162  10.899   5.195
  304    HE2  HIS  54           HE2      HIS  54  -0.756  10.779   7.678
  305    H    ALA  55           HN       ALA  55  -0.148   6.764   7.193
  306    HA   ALA  55           HA       ALA  55   0.163   7.753   9.830
  307   1HB   ALA  55          HB1       ALA  55  -2.207   6.343   8.603
  308   2HB   ALA  55          HB2       ALA  55  -1.885   8.076   8.527
  309   3HB   ALA  55          HB3       ALA  55  -2.222   7.310  10.079
  310    H    ALA  56           HN       ALA  56  -0.002   4.521   8.475
  311    HA   ALA  56           HA       ALA  56  -0.385   3.206  10.989
  312   1HB   ALA  56          HB1       ALA  56  -1.138   2.214   8.882
  313   2HB   ALA  56          HB2       ALA  56  -0.027   1.150   9.746
  314   3HB   ALA  56          HB3       ALA  56   0.539   2.074   8.354
  315    H    GLU  57           HN       GLU  57   2.385   3.044   8.719
  316    HA   GLU  57           HA       GLU  57   4.096   2.262  10.938
  317   1HB   GLU  57          HB2       GLU  57   5.759   1.729   9.270
  318   2HB   GLU  57          HB1       GLU  57   4.213   1.033   8.807
  319   1HG   GLU  57          HG2       GLU  57   3.860   2.877   7.242
  320   2HG   GLU  57          HG1       GLU  57   5.428   3.546   7.690
  321    H    GLY  58           HN       GLY  58   4.044   4.844   8.454
  322   1HA   GLY  58          HA2       GLY  58   4.578   7.080   9.583
  323   2HA   GLY  58          HA1       GLY  58   6.065   6.268  10.068
  324    H    VAL  59           HN       VAL  59   4.987   5.306   6.997
  325    HA   VAL  59           HA       VAL  59   7.147   6.756   5.718
  326    HB   VAL  59           HB       VAL  59   5.295   4.542   4.829
  327   1HG1  VAL  59          HG11      VAL  59   7.464   5.007   2.998
  328   2HG1  VAL  59          HG12      VAL  59   6.422   6.421   3.103
  329   3HG1  VAL  59          HG13      VAL  59   5.739   4.856   2.676
  330   1HG2  VAL  59          HG21      VAL  59   7.144   3.958   6.339
  331   2HG2  VAL  59          HG22      VAL  59   8.288   4.630   5.175
  332   3HG2  VAL  59          HG23      VAL  59   7.321   3.218   4.747
  333    H    GLU  60           HN       GLU  60   6.123   8.861   5.948
  334    HA   GLU  60           HA       GLU  60   3.724   9.324   4.378
  335   1HB   GLU  60          HB2       GLU  60   3.873  10.362   6.580
  336   2HB   GLU  60          HB1       GLU  60   5.325  11.222   6.093
  337   1HG   GLU  60          HG2       GLU  60   4.044  12.434   4.405
  338   2HG   GLU  60          HG1       GLU  60   2.586  11.573   4.899
  339    HA   PRO  61           HA       PRO  61   6.975  12.282   2.200
  340   1HB   PRO  61          HB2       PRO  61   9.441  10.708   2.665
  341   2HB   PRO  61          HB1       PRO  61   9.198  12.457   2.711
  342   1HG   PRO  61          HG2       PRO  61   9.550  11.058   4.957
  343   2HG   PRO  61          HG1       PRO  61   8.421  12.425   4.892
  344   1HD   PRO  61          HD2       PRO  61   7.850   9.487   4.818
  345   2HD   PRO  61          HD1       PRO  61   6.980  10.783   5.661
  346    H    GLY  62           HN       GLY  62   9.147  11.234   0.620
  347   1HA   GLY  62          HA2       GLY  62   7.653   9.809  -1.339
  348   2HA   GLY  62          HA1       GLY  62   9.374  10.152  -1.399
  349    H    SER  63           HN       SER  63   8.802   8.652   1.492
  350    HA   SER  63           HA       SER  63  10.156   6.298   0.793
  351   1HB   SER  63          HB2       SER  63   9.324   5.536   3.106
  352   2HB   SER  63          HB1       SER  63  10.341   6.963   3.037
  353    HG   SER  63           HG       SER  63   7.773   7.688   2.780
  354    H    GLN  64           HN       GLN  64   6.916   7.134   0.273
  355    HA   GLN  64           HA       GLN  64   5.835   4.479   0.551
  356   1HB   GLN  64          HB2       GLN  64   4.734   7.016  -0.664
  357   2HB   GLN  64          HB1       GLN  64   3.835   5.510  -0.601
  358   1HG   GLN  64          HG2       GLN  64   3.604   5.598   1.720
  359   2HG   GLN  64          HG1       GLN  64   4.944   6.735   1.890
  360   1HE2  GLN  64          HE21      GLN  64   3.544   8.041   3.148
  361   2HE2  GLN  64          HE22      GLN  64   2.380   9.071   2.394
  362    H    ARG  65           HN       ARG  65   7.685   3.629  -0.879
  363    HA   ARG  65           HA       ARG  65   7.263   4.067  -3.722
  364   1HB   ARG  65          HB2       ARG  65   9.211   2.292  -2.244
  365   2HB   ARG  65          HB1       ARG  65   9.177   2.504  -3.989
  366   1HG   ARG  65          HG2       ARG  65   9.692   4.862  -3.741
  367   2HG   ARG  65          HG1       ARG  65   9.662   4.699  -1.985
  368   1HD   ARG  65          HD2       ARG  65  11.574   3.257  -2.023
  369   2HD   ARG  65          HD1       ARG  65  11.535   3.170  -3.783
  370    HE   ARG  65           HE       ARG  65  11.810   5.843  -3.145
  371   1HH1  ARG  65          HH11      ARG  65  13.616   2.902  -2.631
  372   2HH1  ARG  65          HH12      ARG  65  15.152   3.701  -2.605
  373   1HH2  ARG  65          HH21      ARG  65  13.830   6.896  -3.111
  374   2HH2  ARG  65          HH22      ARG  65  15.273   5.968  -2.878
  375    H    TRP  66           HN       TRP  66   5.453   3.145  -4.442
  376    HA   TRP  66           HA       TRP  66   4.504   0.597  -3.489
  377   1HB   TRP  66          HB2       TRP  66   2.816   1.010  -5.447
  378   2HB   TRP  66          HB1       TRP  66   2.738   2.008  -3.999
  379    HD1  TRP  66           HD1      TRP  66   4.642   2.275  -7.392
  380    HE1  TRP  66           HE1      TRP  66   4.458   4.708  -8.202
  381    HE3  TRP  66           HE3      TRP  66   1.915   4.212  -3.529
  382    HZ2  TRP  66           HZ2      TRP  66   3.311   7.131  -7.321
  383    HZ3  TRP  66           HZ3      TRP  66   1.318   6.598  -3.587
  384    HH2  TRP  66           HH2      TRP  66   2.002   8.027  -5.444
  385    H    PHE  67           HN       PHE  67   4.764  -1.366  -4.361
  386    HA   PHE  67           HA       PHE  67   5.508  -1.702  -7.133
  387   1HB   PHE  67          HB2       PHE  67   7.395  -2.437  -4.896
  388   2HB   PHE  67          HB1       PHE  67   7.523  -3.097  -6.523
  389    HD1  PHE  67           HD1      PHE  67   8.777  -0.683  -4.400
  390    HD2  PHE  67           HD2      PHE  67   7.443  -1.176  -8.410
  391    HE1  PHE  67           HE1      PHE  67  10.132   1.252  -5.086
  392    HE2  PHE  67           HE2      PHE  67   8.795   0.760  -9.102
  393    HZ   PHE  67           HZ       PHE  67  10.142   1.977  -7.439
  394    H    PHE  68           HN       PHE  68   4.321  -3.358  -7.833
  395    HA   PHE  68           HA       PHE  68   3.818  -5.606  -5.992
  396   1HB   PHE  68          HB2       PHE  68   1.792  -4.207  -6.521
  397   2HB   PHE  68          HB1       PHE  68   1.985  -4.688  -8.205
  398    HD1  PHE  68           HD1      PHE  68   1.688  -7.048  -8.861
  399    HD2  PHE  68           HD2      PHE  68   0.831  -5.675  -4.926
  400    HE1  PHE  68           HE1      PHE  68   0.371  -9.084  -8.441
  401    HE2  PHE  68           HE2      PHE  68  -0.485  -7.709  -4.498
  402    HZ   PHE  68           HZ       PHE  68  -0.717  -9.416  -6.257
  403    H    SER  69           HN       SER  69   4.591  -7.500  -6.646
  404    HA   SER  69           HA       SER  69   5.407  -9.175  -7.945
  405   1HB   SER  69          HB2       SER  69   3.900  -7.761 -10.157
  406   2HB   SER  69          HB1       SER  69   4.572  -9.388 -10.258
  407    HG   SER  69           HG       SER  69   3.116 -10.084  -8.761
  408    H    GLY  70           HN       GLY  70   6.564  -6.208  -7.963
  409   1HA   GLY  70          HA2       GLY  70   8.874  -5.824  -8.452
  410   2HA   GLY  70          HA1       GLY  70   8.729  -6.924  -9.821
  411    H    ARG  71           HN       ARG  71   6.136  -4.719  -9.495
  412    HA   ARG  71           HA       ARG  71   7.388  -2.870 -11.411
  413   1HB   ARG  71          HB2       ARG  71   4.537  -3.856 -11.594
  414   2HB   ARG  71          HB1       ARG  71   5.353  -2.781 -12.720
  415   1HG   ARG  71          HG2       ARG  71   5.669  -4.650 -13.908
  416   2HG   ARG  71          HG1       ARG  71   7.003  -4.925 -12.785
  417   1HD   ARG  71          HD2       ARG  71   5.638  -6.923 -12.985
  418   2HD   ARG  71          HD1       ARG  71   5.516  -6.255 -11.358
  419    HE   ARG  71           HE       ARG  71   3.403  -5.151 -12.624
  420   1HH1  ARG  71          HH11      ARG  71   4.525  -8.441 -12.312
  421   2HH1  ARG  71          HH12      ARG  71   2.936  -9.124 -12.411
  422   1HH2  ARG  71          HH21      ARG  71   1.314  -6.047 -12.756
  423   2HH2  ARG  71          HH22      ARG  71   1.113  -7.765 -12.665
  424    HA   PRO  72           HA       PRO  72   5.892   0.271  -8.687
  425   1HB   PRO  72          HB2       PRO  72   5.698   2.365 -10.410
  426   2HB   PRO  72          HB1       PRO  72   7.245   1.751  -9.817
  427   1HG   PRO  72          HG2       PRO  72   5.870   1.222 -12.423
  428   2HG   PRO  72          HG1       PRO  72   7.584   1.553 -12.108
  429   1HD   PRO  72          HD2       PRO  72   6.639  -0.947 -12.531
  430   2HD   PRO  72          HD1       PRO  72   8.012  -0.617 -11.454
  431    H    LEU  73           HN       LEU  73   3.889   0.403  -7.893
  432    HA   LEU  73           HA       LEU  73   1.617   0.066  -9.664
  433   1HB   LEU  73          HB2       LEU  73   2.151  -0.247  -6.837
  434   2HB   LEU  73          HB1       LEU  73   0.648   0.617  -7.108
  435   1HD1  LEU  73          HD21      LEU  73   0.965  -3.208  -8.902
  436   2HD1  LEU  73          HD22      LEU  73   2.368  -2.642  -7.995
  437   3HD1  LEU  73          HD23      LEU  73   1.902  -1.836  -9.493
  438   1HD2  LEU  73          HD11      LEU  73  -0.576  -1.414  -6.065
  439   2HD2  LEU  73          HD12      LEU  73   1.015  -2.142  -5.859
  440   3HD2  LEU  73          HD13      LEU  73  -0.242  -3.009  -6.740
  441    H    THR  74           HN       THR  74  -0.347   1.452  -9.319
  442    HA   THR  74           HA       THR  74   0.466   4.275  -9.366
  443    HB   THR  74           HB       THR  74  -1.494   4.698 -10.756
  444    HG1  THR  74           HG1      THR  74  -3.051   3.278 -10.487
  445   1HG2  THR  74          HG21      THR  74   0.589   4.080 -11.873
  446   2HG2  THR  74          HG22      THR  74  -0.805   3.471 -12.766
  447   3HG2  THR  74          HG23      THR  74   0.150   2.376 -11.767
  448    H    ASP  75           HN       ASP  75  -1.707   5.631  -9.053
  449    HA   ASP  75           HA       ASP  75  -2.492   5.191  -6.302
  450   1HB   ASP  75          HB2       ASP  75  -3.479   7.502  -6.555
  451   2HB   ASP  75          HB1       ASP  75  -1.735   7.407  -6.789
  452    H    LYS  76           HN       LYS  76  -3.607   3.512  -8.426
  453    HA   LYS  76           HA       LYS  76  -6.384   3.775  -7.711
  454   1HB   LYS  76          HB2       LYS  76  -5.440   4.112 -10.553
  455   2HB   LYS  76          HB1       LYS  76  -7.088   3.639 -10.153
  456   1HG   LYS  76          HG2       LYS  76  -7.342   5.724  -8.864
  457   2HG   LYS  76          HG1       LYS  76  -5.718   6.201  -9.362
  458   1HD   LYS  76          HD2       LYS  76  -6.405   6.179 -11.695
  459   2HD   LYS  76          HD1       LYS  76  -8.017   5.631 -11.231
  460   1HE   LYS  76          HE2       LYS  76  -6.743   8.251 -10.447
  461   2HE   LYS  76          HE1       LYS  76  -7.981   8.035 -11.684
  462   1HZ   LYS  76          HZ1       LYS  76  -8.950   8.793  -9.616
  463   2HZ   LYS  76          HZ2       LYS  76  -8.302   7.469  -8.785
  464   3HZ   LYS  76          HZ3       LYS  76  -9.489   7.227  -9.966
  465    H    MET  77           HN       MET  77  -4.276   1.910  -7.248
  466    HA   MET  77           HA       MET  77  -4.710  -0.354  -8.964
  467   1HB   MET  77          HB2       MET  77  -3.197  -0.127  -6.366
  468   2HB   MET  77          HB1       MET  77  -3.168  -1.519  -7.438
  469   1HG   MET  77          HG2       MET  77  -2.341   1.208  -8.363
  470   2HG   MET  77          HG1       MET  77  -1.225   0.117  -7.552
  471   1HE   MET  77          HE1       MET  77  -3.956  -0.722 -10.704
  472   2HE   MET  77          HE2       MET  77  -2.783   0.048 -11.772
  473   3HE   MET  77          HE3       MET  77  -3.427   0.930 -10.388
  474    H    LYS  78           HN       LYS  78  -5.873   0.623  -5.763
  475    HA   LYS  78           HA       LYS  78  -6.680  -1.875  -4.855
  476   1HB   LYS  78          HB2       LYS  78  -6.712  -0.058  -3.335
  477   2HB   LYS  78          HB1       LYS  78  -7.838   0.846  -4.336
  478   1HG   LYS  78          HG2       LYS  78  -8.921  -0.069  -2.358
  479   2HG   LYS  78          HG1       LYS  78  -9.594  -0.755  -3.837
  480   1HD   LYS  78          HD2       LYS  78  -7.369  -2.176  -2.446
  481   2HD   LYS  78          HD1       LYS  78  -9.004  -2.291  -1.801
  482   1HE   LYS  78          HE2       LYS  78  -9.599  -2.844  -4.301
  483   2HE   LYS  78          HE1       LYS  78  -7.899  -3.303  -4.374
  484   1HZ   LYS  78          HZ1       LYS  78  -8.932  -5.255  -3.777
  485   2HZ   LYS  78          HZ2       LYS  78 -10.070  -4.494  -2.787
  486   3HZ   LYS  78          HZ3       LYS  78  -8.469  -4.646  -2.266
  487    H    PHE  79           HN       PHE  79  -8.959   0.566  -6.066
  488    HA   PHE  79           HA       PHE  79 -10.993  -1.275  -6.586
  489   1HB   PHE  79          HB2       PHE  79 -11.375   1.154  -6.326
  490   2HB   PHE  79          HB1       PHE  79 -10.565   1.440  -7.858
  491    HD1  PHE  79           HD1      PHE  79 -11.757   1.403  -9.850
  492    HD2  PHE  79           HD2      PHE  79 -13.479  -0.294  -6.349
  493    HE1  PHE  79           HE1      PHE  79 -13.893   1.131 -11.037
  494    HE2  PHE  79           HE2      PHE  79 -15.619  -0.569  -7.530
  495    HZ   PHE  79           HZ       PHE  79 -15.829   0.143  -9.878
  496    H    GLU  80           HN       GLU  80  -8.099  -0.741  -8.328
  497    HA   GLU  80           HA       GLU  80  -9.274  -1.496 -10.893
  498   1HB   GLU  80          HB2       GLU  80  -7.596   0.282 -10.886
  499   2HB   GLU  80          HB1       GLU  80  -6.418  -0.817 -10.180
  500   1HG   GLU  80          HG2       GLU  80  -6.501  -2.205 -12.177
  501   2HG   GLU  80          HG1       GLU  80  -7.711  -1.133 -12.881
  502    H    GLU  81           HN       GLU  81  -7.680  -2.947  -8.230
  503    HA   GLU  81           HA       GLU  81  -6.768  -5.229  -9.798
  504   1HB   GLU  81          HB2       GLU  81  -5.380  -4.156  -7.936
  505   2HB   GLU  81          HB1       GLU  81  -6.528  -4.873  -6.813
  506   1HG   GLU  81          HG2       GLU  81  -4.579  -6.270  -7.003
  507   2HG   GLU  81          HG1       GLU  81  -5.975  -7.095  -7.691
  508    H    LEU  82           HN       LEU  82  -8.515  -4.794  -6.737
  509    HA   LEU  82           HA       LEU  82 -10.253  -5.914  -5.802
  510   1HB   LEU  82          HB2       LEU  82 -11.026  -6.717  -8.599
  511   2HB   LEU  82          HB1       LEU  82 -12.053  -6.580  -7.199
  512    HG   LEU  82           HG       LEU  82 -12.614  -4.730  -8.477
  513   1HD1  LEU  82          HD11      LEU  82 -11.943  -2.822  -7.202
  514   2HD1  LEU  82          HD12      LEU  82 -10.516  -3.666  -6.601
  515   3HD1  LEU  82          HD13      LEU  82 -12.125  -4.193  -6.108
  516   1HD2  LEU  82          HD21      LEU  82  -9.877  -3.682  -8.815
  517   2HD2  LEU  82          HD22      LEU  82 -11.268  -3.602  -9.897
  518   3HD2  LEU  82          HD23      LEU  82 -10.321  -5.085  -9.785
  519    H    LYS  83           HN       LYS  83  -7.679  -7.341  -6.838
  520    HA   LYS  83           HA       LYS  83  -8.708 -10.081  -6.802
  521   1HB   LYS  83          HB2       LYS  83  -5.986  -9.072  -7.616
  522   2HB   LYS  83          HB1       LYS  83  -6.512 -10.743  -7.692
  523   1HG   LYS  83          HG2       LYS  83  -7.813  -8.509  -9.225
  524   2HG   LYS  83          HG1       LYS  83  -6.515  -9.516  -9.867
  525   1HD   LYS  83          HD2       LYS  83  -8.313 -10.676 -10.659
  526   2HD   LYS  83          HD1       LYS  83  -8.138 -11.459  -9.086
  527   1HE   LYS  83          HE2       LYS  83  -9.752  -9.658  -8.242
  528   2HE   LYS  83          HE1       LYS  83 -10.113  -9.370  -9.940
  529   1HZ   LYS  83          HZ1       LYS  83 -10.755 -11.692 -10.160
  530   2HZ   LYS  83          HZ2       LYS  83 -11.677 -10.925  -8.967
  531   3HZ   LYS  83          HZ3       LYS  83 -10.418 -11.963  -8.524
  532    H    ILE  84           HN       ILE  84  -8.016  -8.078  -4.517
  533    HA   ILE  84           HA       ILE  84  -6.166  -9.826  -3.061
  534    HB   ILE  84           HB       ILE  84  -5.243  -7.691  -2.990
  535   1HG1  ILE  84          HG12      ILE  84  -5.362  -6.971  -0.698
  536   2HG1  ILE  84          HG11      ILE  84  -6.944  -7.707  -0.490
  537   1HG2  ILE  84          HG21      ILE  84  -6.531  -5.645  -2.479
  538   2HG2  ILE  84          HG22      ILE  84  -8.007  -6.609  -2.489
  539   3HG2  ILE  84          HG23      ILE  84  -7.051  -6.445  -3.962
  540   1HD1  ILE  84          HD11      ILE  84  -5.807  -9.924  -0.934
  541   2HD1  ILE  84          HD12      ILE  84  -5.423  -9.124   0.589
  542   3HD1  ILE  84          HD13      ILE  84  -4.284  -9.059  -0.754
  543    HA   PRO  85           HA       PRO  85 -10.035 -10.768  -0.852
  544   1HB   PRO  85          HB2       PRO  85  -9.540 -13.361  -0.422
  545   2HB   PRO  85          HB1       PRO  85 -10.071 -12.787  -2.007
  546   1HG   PRO  85          HG2       PRO  85  -7.320 -13.501  -1.074
  547   2HG   PRO  85          HG1       PRO  85  -8.108 -13.864  -2.620
  548   1HD   PRO  85          HD2       PRO  85  -6.328 -11.794  -2.222
  549   2HD   PRO  85          HD1       PRO  85  -7.550 -11.835  -3.508
  550    H    LYS  86           HN       LYS  86  -6.682 -11.462  -0.096
  551    HA   LYS  86           HA       LYS  86  -6.612 -10.349   2.412
  552   1HB   LYS  86          HB2       LYS  86  -8.212 -12.014   3.163
  553   2HB   LYS  86          HB1       LYS  86  -7.201 -13.311   2.543
  554   1HG   LYS  86          HG2       LYS  86  -5.470 -12.730   4.176
  555   2HG   LYS  86          HG1       LYS  86  -6.506 -11.447   4.804
  556   1HD   LYS  86          HD2       LYS  86  -8.195 -13.108   5.415
  557   2HD   LYS  86          HD1       LYS  86  -7.167 -14.392   4.777
  558   1HE   LYS  86          HE2       LYS  86  -5.444 -13.821   6.425
  559   2HE   LYS  86          HE1       LYS  86  -6.484 -12.551   7.067
  560   1HZ   LYS  86          HZ1       LYS  86  -8.105 -14.232   7.679
  561   2HZ   LYS  86          HZ2       LYS  86  -6.610 -14.563   8.397
  562   3HZ   LYS  86          HZ3       LYS  86  -7.116 -15.453   7.051
  563    H    ASP  87           HN       ASP  87  -5.349 -12.548   0.078
  564    HA   ASP  87           HA       ASP  87  -2.829 -12.868   1.497
  565   1HB   ASP  87          HB2       ASP  87  -2.217 -14.369  -0.352
  566   2HB   ASP  87          HB1       ASP  87  -3.753 -14.824   0.380
  567    H    TYR  88           HN       TYR  88  -4.004 -11.397  -1.533
  568    HA   TYR  88           HA       TYR  88  -1.647 -10.664  -2.703
  569   1HB   TYR  88          HB2       TYR  88  -4.330  -9.365  -2.638
  570   2HB   TYR  88          HB1       TYR  88  -2.992  -8.508  -3.389
  571    HD1  TYR  88           HD1      TYR  88  -4.349 -11.998  -3.386
  572    HD2  TYR  88           HD2      TYR  88  -2.854  -8.735  -5.670
  573    HE1  TYR  88           HE1      TYR  88  -4.684 -13.295  -5.448
  574    HE2  TYR  88           HE2      TYR  88  -3.186 -10.023  -7.739
  575    HH   TYR  88           HH       TYR  88  -3.366 -12.374  -8.435
  576    H    VAL  89           HN       VAL  89  -0.084  -9.203  -2.455
  577    HA   VAL  89           HA       VAL  89  -0.338  -7.143  -0.395
  578    HB   VAL  89           HB       VAL  89   0.647  -9.054   0.755
  579   1HG1  VAL  89          HG11      VAL  89   2.796  -9.983   0.078
  580   2HG1  VAL  89          HG12      VAL  89   2.810  -8.937  -1.342
  581   3HG1  VAL  89          HG13      VAL  89   1.584 -10.196  -1.187
  582   1HG2  VAL  89          HG21      VAL  89   2.193  -6.575   0.290
  583   2HG2  VAL  89          HG22      VAL  89   3.048  -7.896   1.083
  584   3HG2  VAL  89          HG23      VAL  89   1.569  -7.258   1.790
  585    H    VAL  90           HN       VAL  90   0.540  -5.260  -1.020
  586    HA   VAL  90           HA       VAL  90   2.079  -5.184  -3.492
  587    HB   VAL  90           HB       VAL  90   1.198  -2.843  -1.786
  588   1HG1  VAL  90          HG11      VAL  90   2.263  -3.052  -4.602
  589   2HG1  VAL  90          HG12      VAL  90   2.999  -2.229  -3.225
  590   3HG1  VAL  90          HG13      VAL  90   1.512  -1.601  -3.934
  591   1HG2  VAL  90          HG21      VAL  90  -0.251  -4.477  -3.777
  592   2HG2  VAL  90          HG22      VAL  90  -0.416  -2.728  -3.926
  593   3HG2  VAL  90          HG23      VAL  90  -0.860  -3.529  -2.420
  594    H    GLN  91           HN       GLN  91   4.207  -5.042  -3.562
  595    HA   GLN  91           HA       GLN  91   5.692  -4.937  -1.118
  596   1HB   GLN  91          HB2       GLN  91   6.316  -6.319  -3.170
  597   2HB   GLN  91          HB1       GLN  91   6.848  -4.809  -3.899
  598   1HG   GLN  91          HG2       GLN  91   7.891  -5.276  -1.214
  599   2HG   GLN  91          HG1       GLN  91   8.403  -6.469  -2.411
  600   1HE2  GLN  91          HE21      GLN  91   9.667  -5.815  -4.152
  601   2HE2  GLN  91          HE22      GLN  91  10.495  -4.300  -4.171
  602    H    VAL  92           HN       VAL  92   7.055  -3.291  -0.443
  603    HA   VAL  92           HA       VAL  92   6.805  -0.754  -1.900
  604    HB   VAL  92           HB       VAL  92   6.484   0.391   0.289
  605   1HG1  VAL  92          HG11      VAL  92   4.145  -0.762   0.722
  606   2HG1  VAL  92          HG12      VAL  92   4.510  -1.529  -0.831
  607   3HG1  VAL  92          HG13      VAL  92   4.429   0.228  -0.715
  608   1HG2  VAL  92          HG21      VAL  92   6.297  -2.425   1.248
  609   2HG2  VAL  92          HG22      VAL  92   5.722  -1.029   2.144
  610   3HG2  VAL  92          HG23      VAL  92   7.432  -1.173   1.752
  611    H    ILE  93           HN       ILE  93   8.298   0.935  -0.965
  612    HA   ILE  93           HA       ILE  93  10.672  -0.135   0.324
  613    HB   ILE  93           HB       ILE  93  10.968   1.455  -2.205
  614   1HG1  ILE  93          HG12      ILE  93  11.138  -1.545  -1.858
  615   2HG1  ILE  93          HG11      ILE  93   9.899  -0.682  -2.762
  616   1HG2  ILE  93          HG21      ILE  93  13.281   0.647  -2.093
  617   2HG2  ILE  93          HG22      ILE  93  12.901  -0.191  -0.588
  618   3HG2  ILE  93          HG23      ILE  93  12.832   1.570  -0.658
  619   1HD1  ILE  93          HD11      ILE  93  12.830  -0.703  -3.426
  620   2HD1  ILE  93          HD12      ILE  93  11.551   0.073  -4.358
  621   3HD1  ILE  93          HD13      ILE  93  11.595  -1.684  -4.213
  622    H    VAL  94           HN       VAL  94  11.450   1.208   1.733
  623    HA   VAL  94           HA       VAL  94  10.895   4.083   1.560
  624    HB   VAL  94           HB       VAL  94   9.412   3.496   3.265
  625   1HG1  VAL  94          HG11      VAL  94   9.979   1.128   3.355
  626   2HG1  VAL  94          HG12      VAL  94   9.858   1.803   4.979
  627   3HG1  VAL  94          HG13      VAL  94  11.442   1.497   4.267
  628   1HG2  VAL  94          HG21      VAL  94  10.397   4.145   5.391
  629   2HG2  VAL  94          HG22      VAL  94  10.953   5.199   4.097
  630   3HG2  VAL  94          HG23      VAL  94  12.013   3.942   4.732
  631    H    SER  95           HN       SER  95  12.892   4.771   0.971
  632    HA   SER  95           HA       SER  95  15.203   3.796   2.503
  633   1HB   SER  95          HB2       SER  95  15.325   3.529   0.050
  634   2HB   SER  95          HB1       SER  95  15.156   5.274  -0.137
  635    HG   SER  95           HG       SER  95  17.257   3.950   1.239
  636    H    GLN  96           HN       GLN  96  13.870   5.449   4.044
  637    HA   GLN  96           HA       GLN  96  15.652   7.682   4.323
  638   1HB   GLN  96          HB2       GLN  96  13.810   9.382   4.330
  639   2HB   GLN  96          HB1       GLN  96  14.192   8.721   2.749
  640   1HG   GLN  96          HG2       GLN  96  11.958   8.552   2.611
  641   2HG   GLN  96          HG1       GLN  96  12.255   7.034   3.450
  642   1HE2  GLN  96          HE21      GLN  96  12.416  10.278   4.831
  643   2HE2  GLN  96          HE22      GLN  96  11.105  10.065   5.933
  644    HA   PRO  97           HA       PRO  97  13.442   5.850   8.126
  645   1HB   PRO  97          HB2       PRO  97  15.696   4.813   9.280
  646   2HB   PRO  97          HB1       PRO  97  14.617   3.888   8.231
  647   1HG   PRO  97          HG2       PRO  97  17.209   5.229   7.572
  648   2HG   PRO  97          HG1       PRO  97  16.611   3.638   7.066
  649   1HD   PRO  97          HD2       PRO  97  16.524   5.778   5.434
  650   2HD   PRO  97          HD1       PRO  97  15.258   4.532   5.416
  651    H    VAL  98           HN       VAL  98  16.366   7.666   7.511
  652    HA   VAL  98           HA       VAL  98  15.756   9.363   9.815
  653    HB   VAL  98           HB       VAL  98  17.476   7.807  10.605
  654   1HG1  VAL  98          HG11      VAL  98  18.483   7.311   8.410
  655   2HG1  VAL  98          HG12      VAL  98  19.686   7.743   9.625
  656   3HG1  VAL  98          HG13      VAL  98  19.208   8.918   8.400
  657   1HG2  VAL  98          HG21      VAL  98  18.509  10.607  10.156
  658   2HG2  VAL  98          HG22      VAL  98  19.117   9.469  11.359
  659   3HG2  VAL  98          HG23      VAL  98  17.466  10.079  11.476
  660    H    GLN  99           HN       GLN  99  17.749   8.905   6.914
  661    HA   GLN  99           HA       GLN  99  17.324  11.724   6.253
  662   1HB   GLN  99          HB2       GLN  99  19.525  11.617   7.321
  663   2HB   GLN  99          HB1       GLN  99  20.018  10.352   6.204
  664   1HG   GLN  99          HG2       GLN  99  19.792  11.915   4.338
  665   2HG   GLN  99          HG1       GLN  99  19.309  13.183   5.463
  666   1HE2  GLN  99          HE21      GLN  99  20.844  14.082   6.838
  667   2HE2  GLN  99          HE22      GLN  99  22.539  13.891   6.575
  668    H    ASN 100           HN       ASN 100  16.726  11.994   4.199
  669    HA   ASN 100           HA       ASN 100  16.802   9.684   2.419
  670   1HB   ASN 100          HB2       ASN 100  14.669  10.882   2.705
  671   2HB   ASN 100          HB1       ASN 100  15.416  12.356   2.097
  672   1HD2  ASN 100          HD21      ASN 100  15.913  12.524  -0.087
  673   2HD2  ASN 100          HD22      ASN 100  15.232  11.462  -1.268
  Start of MODEL    6
    1    H    GLY  21           H        GLY  21 -18.342  -5.534   0.875
    2   1HA   GLY  21          HA1       GLY  21 -18.367  -5.750  -2.086
    3   2HA   GLY  21          HA2       GLY  21 -19.635  -5.032  -1.104
    4    H    TYR  22           HN       TYR  22 -18.319  -3.508   0.683
    5    HA   TYR  22           HA       TYR  22 -16.797  -1.632  -1.007
    6   1HB   TYR  22          HB2       TYR  22 -18.715  -1.027   1.252
    7   2HB   TYR  22          HB1       TYR  22 -17.718   0.176   0.440
    8    HD1  TYR  22           HD1      TYR  22 -20.575  -2.111   0.059
    9    HD2  TYR  22           HD2      TYR  22 -18.289   0.990  -1.745
   10    HE1  TYR  22           HE1      TYR  22 -22.329  -1.814  -1.639
   11    HE2  TYR  22           HE2      TYR  22 -20.037   1.296  -3.447
   12    HH   TYR  22           HH       TYR  22 -23.130  -0.068  -3.173
   13    H    GLU  23           HN       GLU  23 -15.742  -3.800   0.632
   14    HA   GLU  23           HA       GLU  23 -14.084  -2.185   2.451
   15   1HB   GLU  23          HB2       GLU  23 -15.638  -3.540   3.776
   16   2HB   GLU  23          HB1       GLU  23 -15.099  -4.992   2.945
   17   1HG   GLU  23          HG2       GLU  23 -12.861  -4.696   3.877
   18   2HG   GLU  23          HG1       GLU  23 -13.402  -3.240   4.710
   19    H    CYS  24           HN       CYS  24 -11.905  -2.580   2.400
   20    HA   CYS  24           HA       CYS  24 -10.953  -4.816   0.765
   21   1HB   CYS  24          HB2       CYS  24  -9.983  -1.972   0.429
   22   2HB   CYS  24          HB1       CYS  24  -9.404  -3.380  -0.453
   23    HG   CYS  24           HG       CYS  24 -11.028  -1.756  -2.107
   24    H    GLN  25           HN       GLN  25  -8.641  -5.236   1.026
   25    HA   GLN  25           HA       GLN  25  -7.198  -4.063   3.200
   26   1HB   GLN  25          HB2       GLN  25  -8.728  -5.487   4.479
   27   2HB   GLN  25          HB1       GLN  25  -8.260  -6.879   3.514
   28   1HG   GLN  25          HG2       GLN  25  -6.238  -5.346   5.100
   29   2HG   GLN  25          HG1       GLN  25  -7.233  -6.596   5.843
   30   1HE2  GLN  25          HE21      GLN  25  -6.966  -8.743   5.209
   31   2HE2  GLN  25          HE22      GLN  25  -5.549  -9.280   4.379
   32    H    LEU  26           HN       LEU  26  -5.118  -4.154   2.630
   33    HA   LEU  26           HA       LEU  26  -4.208  -6.436   1.011
   34   1HB   LEU  26          HB2       LEU  26  -4.692  -4.344  -0.329
   35   2HB   LEU  26          HB1       LEU  26  -3.368  -3.583   0.527
   36    HG   LEU  26           HG       LEU  26  -1.760  -4.968  -0.520
   37   1HD1  LEU  26          HD11      LEU  26  -3.974  -6.591  -1.758
   38   2HD1  LEU  26          HD12      LEU  26  -3.092  -7.079  -0.316
   39   3HD1  LEU  26          HD13      LEU  26  -2.240  -6.889  -1.846
   40   1HD2  LEU  26          HD21      LEU  26  -3.900  -4.157  -2.481
   41   2HD2  LEU  26          HD22      LEU  26  -2.267  -4.643  -2.938
   42   3HD2  LEU  26          HD23      LEU  26  -2.515  -3.202  -1.952
   43    H    ARG  27           HN       ARG  27  -2.084  -7.112   1.316
   44    HA   ARG  27           HA       ARG  27  -0.931  -6.278   3.849
   45   1HB   ARG  27          HB2       ARG  27  -1.196  -8.685   3.247
   46   2HB   ARG  27          HB1       ARG  27  -0.035  -8.452   1.951
   47   1HG   ARG  27          HG2       ARG  27   1.692  -7.895   3.580
   48   2HG   ARG  27          HG1       ARG  27   0.524  -8.090   4.887
   49   1HD   ARG  27          HD2       ARG  27   0.355 -10.395   4.554
   50   2HD   ARG  27          HD1       ARG  27   1.060 -10.306   2.940
   51    HE   ARG  27           HE       ARG  27   3.103  -9.493   4.433
   52   1HH1  ARG  27          HH11      ARG  27   0.935 -12.198   4.849
   53   2HH1  ARG  27          HH12      ARG  27   2.111 -13.173   5.662
   54   1HH2  ARG  27          HH21      ARG  27   4.649 -10.780   5.499
   55   2HH2  ARG  27          HH22      ARG  27   4.218 -12.369   6.032
   56    H    LEU  28           HN       LEU  28   0.990  -5.197   4.093
   57    HA   LEU  28           HA       LEU  28   2.302  -4.330   1.591
   58   1HB   LEU  28          HB2       LEU  28   1.966  -2.929   4.224
   59   2HB   LEU  28          HB1       LEU  28   3.070  -2.376   2.983
   60    HG   LEU  28           HG       LEU  28   1.135  -1.057   2.741
   61   1HD1  LEU  28          HD11      LEU  28   2.099  -1.957   0.655
   62   2HD1  LEU  28          HD12      LEU  28   0.386  -1.576   0.524
   63   3HD1  LEU  28          HD13      LEU  28   0.901  -3.251   0.694
   64   1HD2  LEU  28          HD21      LEU  28  -0.491  -3.597   2.746
   65   2HD2  LEU  28          HD22      LEU  28  -1.116  -1.963   2.534
   66   3HD2  LEU  28          HD23      LEU  28  -0.388  -2.436   4.068
   67    H    ARG  29           HN       ARG  29   4.221  -5.219   1.296
   68    HA   ARG  29           HA       ARG  29   5.837  -6.029   3.604
   69   1HB   ARG  29          HB2       ARG  29   5.585  -7.706   1.880
   70   2HB   ARG  29          HB1       ARG  29   6.110  -6.575   0.639
   71   1HG   ARG  29          HG2       ARG  29   8.336  -6.503   1.661
   72   2HG   ARG  29          HG1       ARG  29   7.797  -7.657   2.881
   73   1HD   ARG  29          HD2       ARG  29   7.908  -8.145  -0.092
   74   2HD   ARG  29          HD1       ARG  29   9.044  -8.772   1.103
   75    HE   ARG  29           HE       ARG  29   6.410  -9.538   1.773
   76   1HH1  ARG  29          HH11      ARG  29   8.948 -10.232  -0.519
   77   2HH1  ARG  29          HH12      ARG  29   8.432 -11.863  -0.784
   78   1HH2  ARG  29          HH21      ARG  29   5.735 -11.686   1.430
   79   2HH2  ARG  29          HH22      ARG  29   6.610 -12.689   0.322
   80    H    LEU  30           HN       LEU  30   6.863  -4.240   4.399
   81    HA   LEU  30           HA       LEU  30   8.037  -2.368   2.482
   82   1HB   LEU  30          HB2       LEU  30   8.245  -1.607   5.253
   83   2HB   LEU  30          HB1       LEU  30   7.602  -0.701   3.902
   84    HG   LEU  30           HG       LEU  30   5.987  -2.849   5.237
   85   1HD1  LEU  30          HD11      LEU  30   6.795  -1.259   6.940
   86   2HD1  LEU  30          HD12      LEU  30   5.045  -1.224   6.718
   87   3HD1  LEU  30          HD13      LEU  30   6.049   0.048   6.022
   88   1HD2  LEU  30          HD21      LEU  30   4.112  -1.532   4.412
   89   2HD2  LEU  30          HD22      LEU  30   5.179  -2.026   3.097
   90   3HD2  LEU  30          HD23      LEU  30   5.235  -0.372   3.707
   91    H    SER  31           HN       SER  31  10.015  -1.338   2.883
   92    HA   SER  31           HA       SER  31  12.262  -1.340   3.136
   93   1HB   SER  31          HB2       SER  31  11.741  -1.267   5.532
   94   2HB   SER  31          HB1       SER  31  11.628  -3.027   5.572
   95    HG   SER  31           HG       SER  31  13.850  -3.070   4.930
   96    H    THR  32           HN       THR  32  11.122  -4.523   4.092
   97    HA   THR  32           HA       THR  32  12.049  -5.949   1.883
   98    HB   THR  32           HB       THR  32  13.959  -6.235   4.215
   99    HG1  THR  32           HG1      THR  32  15.470  -5.254   2.668
  100   1HG2  THR  32          HG21      THR  32  14.007  -8.262   3.089
  101   2HG2  THR  32          HG22      THR  32  15.292  -7.365   2.282
  102   3HG2  THR  32          HG23      THR  32  13.708  -7.514   1.521
  103    H    GLY  33           HN       GLY  33   9.940  -5.784   4.069
  104   1HA   GLY  33          HA2       GLY  33   8.886  -8.201   4.172
  105   2HA   GLY  33          HA1       GLY  33  10.226  -8.435   5.285
  106    H    LYS  34           HN       LYS  34   8.667  -5.316   5.197
  107    HA   LYS  34           HA       LYS  34   7.719  -5.799   7.908
  108   1HB   LYS  34          HB2       LYS  34   8.966  -3.659   6.887
  109   2HB   LYS  34          HB1       LYS  34   7.314  -3.179   6.555
  110   1HG   LYS  34          HG2       LYS  34   8.636  -3.613   9.189
  111   2HG   LYS  34          HG1       LYS  34   7.762  -2.209   8.611
  112   1HD   LYS  34          HD2       LYS  34   6.458  -4.867   9.113
  113   2HD   LYS  34          HD1       LYS  34   6.626  -3.633  10.361
  114   1HE   LYS  34          HE2       LYS  34   5.280  -3.209   7.707
  115   2HE   LYS  34          HE1       LYS  34   4.462  -3.605   9.205
  116   1HZ   LYS  34          HZ1       LYS  34   4.425  -1.226   8.763
  117   2HZ   LYS  34          HZ2       LYS  34   6.114  -1.188   8.767
  118   3HZ   LYS  34          HZ3       LYS  34   5.275  -1.572  10.185
  119    H    ASP  35           HN       ASP  35   6.049  -7.268   7.211
  120    HA   ASP  35           HA       ASP  35   3.974  -6.443   5.475
  121   1HB   ASP  35          HB2       ASP  35   2.884  -8.527   6.146
  122   2HB   ASP  35          HB1       ASP  35   4.571  -8.804   5.706
  123    H    LEU  36           HN       LEU  36   2.359  -5.325   5.883
  124    HA   LEU  36           HA       LEU  36   1.032  -5.286   8.455
  125   1HB   LEU  36          HB2       LEU  36   2.808  -3.423   8.368
  126   2HB   LEU  36          HB1       LEU  36   1.775  -2.667   7.172
  127    HG   LEU  36           HG       LEU  36   1.425  -1.728   9.410
  128   1HD1  LEU  36          HD11      LEU  36  -0.961  -1.791   9.419
  129   2HD1  LEU  36          HD12      LEU  36  -0.977  -3.322   8.545
  130   3HD1  LEU  36          HD13      LEU  36  -0.423  -1.853   7.740
  131   1HD2  LEU  36          HD21      LEU  36   1.975  -3.765  10.682
  132   2HD2  LEU  36          HD22      LEU  36   0.446  -4.476  10.164
  133   3HD2  LEU  36          HD23      LEU  36   0.450  -3.039  11.186
  134    H    LYS  37           HN       LYS  37  -0.968  -5.774   7.885
  135    HA   LYS  37           HA       LYS  37  -1.919  -5.092   5.242
  136   1HB   LYS  37          HB2       LYS  37  -3.602  -6.647   5.575
  137   2HB   LYS  37          HB1       LYS  37  -2.257  -7.325   6.465
  138   1HG   LYS  37          HG2       LYS  37  -3.221  -6.398   8.550
  139   2HG   LYS  37          HG1       LYS  37  -4.623  -5.863   7.619
  140   1HD   LYS  37          HD2       LYS  37  -5.093  -8.172   6.983
  141   2HD   LYS  37          HD1       LYS  37  -3.674  -8.716   7.881
  142   1HE   LYS  37          HE2       LYS  37  -4.669  -7.867   9.953
  143   2HE   LYS  37          HE1       LYS  37  -6.087  -7.336   9.051
  144   1HZ   LYS  37          HZ1       LYS  37  -6.519  -9.640   8.451
  145   2HZ   LYS  37          HZ2       LYS  37  -6.479  -9.456  10.131
  146   3HZ   LYS  37          HZ3       LYS  37  -5.162 -10.146   9.326
  147    H    LEU  38           HN       LEU  38  -2.791  -3.209   4.848
  148    HA   LEU  38           HA       LEU  38  -4.152  -1.756   7.004
  149   1HB   LEU  38          HB2       LEU  38  -2.496  -0.375   6.072
  150   2HB   LEU  38          HB1       LEU  38  -2.838  -0.923   4.437
  151    HG   LEU  38           HG       LEU  38  -5.149   0.283   4.853
  152   1HD1  LEU  38          HD11      LEU  38  -4.721   0.791   7.202
  153   2HD1  LEU  38          HD12      LEU  38  -4.915   2.262   6.250
  154   3HD1  LEU  38          HD13      LEU  38  -3.306   1.735   6.742
  155   1HD2  LEU  38          HD21      LEU  38  -2.554   1.688   4.258
  156   2HD2  LEU  38          HD22      LEU  38  -4.159   2.340   3.920
  157   3HD2  LEU  38          HD23      LEU  38  -3.613   0.877   3.104
  158    H    VAL  39           HN       VAL  39  -6.207  -0.846   6.687
  159    HA   VAL  39           HA       VAL  39  -7.851  -2.290   4.744
  160    HB   VAL  39           HB       VAL  39  -9.778  -1.483   6.048
  161   1HG1  VAL  39          HG11      VAL  39  -7.633  -2.794   7.714
  162   2HG1  VAL  39          HG12      VAL  39  -8.757  -3.613   6.631
  163   3HG1  VAL  39          HG13      VAL  39  -9.359  -2.798   8.074
  164   1HG2  VAL  39          HG21      VAL  39  -7.700  -0.236   7.847
  165   2HG2  VAL  39          HG22      VAL  39  -9.431  -0.326   8.175
  166   3HG2  VAL  39          HG23      VAL  39  -8.839   0.635   6.820
  167    H    VAL  40           HN       VAL  40  -9.255  -1.230   3.316
  168    HA   VAL  40           HA       VAL  40  -9.289   1.647   3.153
  169    HB   VAL  40           HB       VAL  40  -8.424   1.705   0.821
  170   1HG1  VAL  40          HG11      VAL  40  -7.033   2.343   2.765
  171   2HG1  VAL  40          HG12      VAL  40  -6.087   1.708   1.418
  172   3HG1  VAL  40          HG13      VAL  40  -6.411   0.693   2.824
  173   1HG2  VAL  40          HG21      VAL  40  -8.670  -0.534   0.113
  174   2HG2  VAL  40          HG22      VAL  40  -7.692  -1.134   1.454
  175   3HG2  VAL  40          HG23      VAL  40  -6.941  -0.202   0.163
  176    H    ARG  41           HN       ARG  41 -10.559   2.355   1.172
  177    HA   ARG  41           HA       ARG  41 -12.505   0.327   0.361
  178   1HB   ARG  41          HB2       ARG  41 -13.514   1.497   2.200
  179   2HB   ARG  41          HB1       ARG  41 -13.094   3.052   1.502
  180   1HG   ARG  41          HG2       ARG  41 -14.592   2.142  -0.490
  181   2HG   ARG  41          HG1       ARG  41 -15.297   1.193   0.822
  182   1HD   ARG  41          HD2       ARG  41 -15.315   3.499   2.061
  183   2HD   ARG  41          HD1       ARG  41 -15.248   4.147   0.424
  184    HE   ARG  41           HE       ARG  41 -17.279   2.256   0.467
  185   1HH1  ARG  41          HH11      ARG  41 -16.566   5.325   1.963
  186   2HH1  ARG  41          HH12      ARG  41 -18.229   5.775   2.125
  187   1HH2  ARG  41          HH21      ARG  41 -19.469   2.846   0.676
  188   2HH2  ARG  41          HH22      ARG  41 -19.878   4.368   1.394
  189    H    SER  42           HN       SER  42 -11.885   0.196  -1.726
  190    HA   SER  42           HA       SER  42 -11.366   0.765  -3.871
  191   1HB   SER  42          HB2       SER  42 -13.301   1.823  -5.002
  192   2HB   SER  42          HB1       SER  42 -13.762   0.523  -3.903
  193    HG   SER  42           HG       SER  42 -14.982   2.590  -3.801
  194    H    THR  43           HN       THR  43 -12.374   3.814  -2.261
  195    HA   THR  43           HA       THR  43 -10.901   5.376  -4.174
  196    HB   THR  43           HB       THR  43 -12.152   6.260  -1.565
  197    HG1  THR  43           HG1      THR  43 -13.182   6.244  -4.226
  198   1HG2  THR  43          HG21      THR  43 -10.519   7.858  -2.386
  199   2HG2  THR  43          HG22      THR  43 -12.147   8.492  -2.628
  200   3HG2  THR  43          HG23      THR  43 -11.250   7.818  -3.990
  201    H    ASP  44           HN       ASP  44 -10.167   3.727  -1.295
  202    HA   ASP  44           HA       ASP  44  -7.866   5.428  -0.698
  203   1HB   ASP  44          HB2       ASP  44  -9.410   3.358   0.779
  204   2HB   ASP  44          HB1       ASP  44  -7.709   3.566   1.200
  205    H    THR  45           HN       THR  45  -7.686   4.107  -3.124
  206    HA   THR  45           HA       THR  45  -6.404   1.611  -3.176
  207    HB   THR  45           HB       THR  45  -5.561   2.259  -5.364
  208    HG1  THR  45           HG1      THR  45  -4.893   4.377  -4.952
  209   1HG2  THR  45          HG21      THR  45  -8.350   3.001  -4.612
  210   2HG2  THR  45          HG22      THR  45  -7.781   1.666  -5.612
  211   3HG2  THR  45          HG23      THR  45  -7.800   3.307  -6.257
  212    H    VAL  46           HN       VAL  46  -4.078   1.438  -4.042
  213    HA   VAL  46           HA       VAL  46  -2.190   1.545  -2.253
  214    HB   VAL  46           HB       VAL  46  -2.038   1.920  -5.182
  215   1HG1  VAL  46          HG11      VAL  46  -0.362   3.517  -4.562
  216   2HG1  VAL  46          HG12      VAL  46   0.433   2.048  -5.127
  217   3HG1  VAL  46          HG13      VAL  46   0.341   2.393  -3.398
  218   1HG2  VAL  46          HG21      VAL  46  -2.159  -0.270  -3.858
  219   2HG2  VAL  46          HG22      VAL  46  -0.469   0.026  -3.434
  220   3HG2  VAL  46          HG23      VAL  46  -0.942  -0.154  -5.125
  221    H    PHE  47           HN       PHE  47  -3.218   4.492  -3.898
  222    HA   PHE  47           HA       PHE  47  -1.114   6.154  -2.973
  223   1HB   PHE  47          HB2       PHE  47  -2.693   6.773  -4.804
  224   2HB   PHE  47          HB1       PHE  47  -3.968   6.953  -3.607
  225    HD1  PHE  47           HD1      PHE  47  -4.091   8.882  -2.214
  226    HD2  PHE  47           HD2      PHE  47  -0.803   8.334  -4.861
  227    HE1  PHE  47           HE1      PHE  47  -3.419  11.224  -1.861
  228    HE2  PHE  47           HE2      PHE  47  -0.126  10.673  -4.511
  229    HZ   PHE  47           HZ       PHE  47  -1.434  12.121  -3.010
  230    H    HIS  48           HN       HIS  48  -4.505   6.127  -1.868
  231    HA   HIS  48           HA       HIS  48  -3.935   7.350   0.600
  232   1HB   HIS  48          HB2       HIS  48  -6.202   5.474  -0.066
  233   2HB   HIS  48          HB1       HIS  48  -6.139   6.592   1.292
  234    HD1  HIS  48           HD1      HIS  48  -7.171   8.819   0.906
  235    HD2  HIS  48           HD2      HIS  48  -6.197   6.910  -2.656
  236    HE1  HIS  48           HE1      HIS  48  -8.069  10.300  -0.918
  237    HE2  HIS  48           HE2      HIS  48  -7.533   9.088  -3.061
  238    H    MET  49           HN       MET  49  -4.209   4.008  -0.447
  239    HA   MET  49           HA       MET  49  -3.923   2.613   1.872
  240   1HB   MET  49          HB2       MET  49  -3.912   1.884  -0.710
  241   2HB   MET  49          HB1       MET  49  -2.187   1.775  -0.392
  242   1HG   MET  49          HG2       MET  49  -2.692   0.272   1.519
  243   2HG   MET  49          HG1       MET  49  -4.383   0.287   1.022
  244   1HE   MET  49          HE1       MET  49  -0.819  -0.225  -0.016
  245   2HE   MET  49          HE2       MET  49  -1.266   0.074  -1.692
  246   3HE   MET  49          HE3       MET  49  -0.831  -1.553  -1.175
  247    H    LYS  50           HN       LYS  50  -1.510   4.166  -0.106
  248    HA   LYS  50           HA       LYS  50   0.716   3.557   1.559
  249   1HB   LYS  50          HB2       LYS  50   0.885   3.996  -0.888
  250   2HB   LYS  50          HB1       LYS  50   0.441   5.670  -0.590
  251   1HG   LYS  50          HG2       LYS  50   2.871   5.271  -0.911
  252   2HG   LYS  50          HG1       LYS  50   2.452   6.074   0.600
  253   1HD   LYS  50          HD2       LYS  50   4.178   4.303   0.851
  254   2HD   LYS  50          HD1       LYS  50   2.742   4.031   1.832
  255   1HE   LYS  50          HE2       LYS  50   3.248   1.939   0.911
  256   2HE   LYS  50          HE1       LYS  50   1.928   2.551  -0.080
  257   1HZ   LYS  50          HZ1       LYS  50   3.641   1.607  -1.463
  258   2HZ   LYS  50          HZ2       LYS  50   4.815   2.612  -0.774
  259   3HZ   LYS  50          HZ3       LYS  50   3.580   3.279  -1.717
  260    H    ARG  51           HN       ARG  51  -1.580   6.194   1.205
  261    HA   ARG  51           HA       ARG  51  -0.351   8.147   2.722
  262   1HB   ARG  51          HB2       ARG  51  -3.249   7.463   2.353
  263   2HB   ARG  51          HB1       ARG  51  -2.756   8.784   3.396
  264   1HG   ARG  51          HG2       ARG  51  -2.095   8.538   0.469
  265   2HG   ARG  51          HG1       ARG  51  -3.365   9.552   1.158
  266   1HD   ARG  51          HD2       ARG  51  -1.596  10.704   2.503
  267   2HD   ARG  51          HD1       ARG  51  -0.392   9.792   1.594
  268    HE   ARG  51           HE       ARG  51  -2.097  11.121  -0.201
  269   1HH1  ARG  51          HH11      ARG  51   0.418  11.801   2.122
  270   2HH1  ARG  51          HH12      ARG  51   0.941  13.244   1.321
  271   1HH2  ARG  51          HH21      ARG  51  -1.411  13.023  -1.254
  272   2HH2  ARG  51          HH22      ARG  51  -0.097  13.938  -0.595
  273    H    ARG  52           HN       ARG  52  -2.427   5.493   3.701
  274    HA   ARG  52           HA       ARG  52  -2.240   5.988   6.486
  275   1HB   ARG  52          HB2       ARG  52  -2.968   3.463   5.001
  276   2HB   ARG  52          HB1       ARG  52  -3.202   3.723   6.721
  277   1HG   ARG  52          HG2       ARG  52  -4.503   5.333   4.533
  278   2HG   ARG  52          HG1       ARG  52  -5.269   4.017   5.426
  279   1HD   ARG  52          HD2       ARG  52  -4.955   5.270   7.513
  280   2HD   ARG  52          HD1       ARG  52  -4.217   6.587   6.604
  281    HE   ARG  52           HE       ARG  52  -6.656   6.236   5.434
  282   1HH1  ARG  52          HH11      ARG  52  -5.567   6.857   8.690
  283   2HH1  ARG  52          HH12      ARG  52  -6.994   7.729   9.135
  284   1HH2  ARG  52          HH21      ARG  52  -8.536   7.383   6.018
  285   2HH2  ARG  52          HH22      ARG  52  -8.681   8.028   7.619
  286    H    LEU  53           HN       LEU  53  -0.357   4.168   4.131
  287    HA   LEU  53           HA       LEU  53   1.134   2.575   5.860
  288   1HB   LEU  53          HB2       LEU  53   1.498   3.638   3.164
  289   2HB   LEU  53          HB1       LEU  53   3.000   3.299   4.001
  290    HG   LEU  53           HG       LEU  53   2.266   1.393   2.638
  291   1HD1  LEU  53          HD11      LEU  53   3.553   1.036   4.720
  292   2HD1  LEU  53          HD12      LEU  53   2.500  -0.319   4.314
  293   3HD1  LEU  53          HD13      LEU  53   2.032   0.810   5.585
  294   1HD2  LEU  53          HD21      LEU  53  -0.236   1.822   4.163
  295   2HD2  LEU  53          HD22      LEU  53   0.227   0.157   3.821
  296   3HD2  LEU  53          HD23      LEU  53   0.002   1.297   2.496
  297    H    HIS  54           HN       HIS  54   1.460   5.985   5.084
  298    HA   HIS  54           HA       HIS  54   3.848   6.294   6.628
  299   1HB   HIS  54          HB2       HIS  54   3.768   8.572   6.070
  300   2HB   HIS  54          HB1       HIS  54   3.101   7.758   4.665
  301    HD1  HIS  54           HD1      HIS  54   1.307   9.148   3.731
  302    HD2  HIS  54           HD2      HIS  54   1.284   9.223   7.886
  303    HE1  HIS  54           HE1      HIS  54  -0.638  10.610   4.367
  304    HE2  HIS  54           HE2      HIS  54  -0.587  10.702   6.883
  305    H    ALA  55           HN       ALA  55   0.411   6.603   7.128
  306    HA   ALA  55           HA       ALA  55   0.518   7.925   9.628
  307   1HB   ALA  55          HB1       ALA  55  -1.807   7.273   9.872
  308   2HB   ALA  55          HB2       ALA  55  -1.639   6.120   8.549
  309   3HB   ALA  55          HB3       ALA  55  -1.492   7.848   8.236
  310    H    ALA  56           HN       ALA  56  -0.168   4.459   8.958
  311    HA   ALA  56           HA       ALA  56   0.083   3.774  11.720
  312   1HB   ALA  56          HB1       ALA  56  -1.466   2.584  10.309
  313   2HB   ALA  56          HB2       ALA  56  -0.257   1.468  10.944
  314   3HB   ALA  56          HB3       ALA  56  -0.148   2.032   9.277
  315    H    GLU  57           HN       GLU  57   2.209   3.384   8.884
  316    HA   GLU  57           HA       GLU  57   4.136   1.944  10.524
  317   1HB   GLU  57          HB2       GLU  57   4.691   2.777   7.704
  318   2HB   GLU  57          HB1       GLU  57   5.244   1.350   8.573
  319   1HG   GLU  57          HG2       GLU  57   2.585   1.863   7.297
  320   2HG   GLU  57          HG1       GLU  57   3.705   0.528   7.039
  321    H    GLY  58           HN       GLY  58   4.093   4.950   8.593
  322   1HA   GLY  58          HA2       GLY  58   5.024   6.931   9.768
  323   2HA   GLY  58          HA1       GLY  58   6.345   5.880  10.275
  324    H    VAL  59           HN       VAL  59   5.296   5.271   7.104
  325    HA   VAL  59           HA       VAL  59   7.725   6.418   6.032
  326    HB   VAL  59           HB       VAL  59   7.070   4.138   5.410
  327   1HG1  VAL  59          HG11      VAL  59   4.605   4.563   5.486
  328   2HG1  VAL  59          HG12      VAL  59   5.157   3.636   4.093
  329   3HG1  VAL  59          HG13      VAL  59   4.752   5.341   3.912
  330   1HG2  VAL  59          HG21      VAL  59   7.251   6.242   3.295
  331   2HG2  VAL  59          HG22      VAL  59   7.084   4.542   2.856
  332   3HG2  VAL  59          HG23      VAL  59   8.462   5.073   3.820
  333    H    GLU  60           HN       GLU  60   6.724   8.598   6.589
  334    HA   GLU  60           HA       GLU  60   4.690   9.610   4.841
  335   1HB   GLU  60          HB2       GLU  60   6.526  11.025   6.776
  336   2HB   GLU  60          HB1       GLU  60   5.206  11.797   5.908
  337   1HG   GLU  60          HG2       GLU  60   3.613  10.311   7.011
  338   2HG   GLU  60          HG1       GLU  60   4.937   9.540   7.882
  339    HA   PRO  61           HA       PRO  61   8.444  12.243   3.040
  340   1HB   PRO  61          HB2       PRO  61  10.815  10.776   3.205
  341   2HB   PRO  61          HB1       PRO  61  10.398  12.183   4.184
  342   1HG   PRO  61          HG2       PRO  61  10.190   9.283   4.841
  343   2HG   PRO  61          HG1       PRO  61  10.636  10.644   5.886
  344   1HD   PRO  61          HD2       PRO  61   8.221   9.519   6.032
  345   2HD   PRO  61          HD1       PRO  61   8.427  11.270   6.225
  346    H    GLY  62           HN       GLY  62  10.412  11.260   1.375
  347   1HA   GLY  62          HA2       GLY  62   8.843   9.957  -0.629
  348   2HA   GLY  62          HA1       GLY  62  10.543  10.381  -0.752
  349    H    SER  63           HN       SER  63   9.211   8.342   1.778
  350    HA   SER  63           HA       SER  63  10.864   6.129   0.812
  351   1HB   SER  63          HB2       SER  63   9.671   6.818   3.490
  352   2HB   SER  63          HB1       SER  63  10.341   5.227   3.151
  353    HG   SER  63           HG       SER  63  12.288   6.457   2.481
  354    H    GLN  64           HN       GLN  64   7.959   7.055   0.063
  355    HA   GLN  64           HA       GLN  64   6.541   4.568   0.655
  356   1HB   GLN  64          HB2       GLN  64   5.661   7.241  -0.406
  357   2HB   GLN  64          HB1       GLN  64   4.606   5.840  -0.413
  358   1HG   GLN  64          HG2       GLN  64   4.645   5.709   1.982
  359   2HG   GLN  64          HG1       GLN  64   5.901   6.946   2.061
  360   1HE2  GLN  64          HE21      GLN  64   4.752   8.681   0.085
  361   2HE2  GLN  64          HE22      GLN  64   3.344   9.389   0.788
  362    H    ARG  65           HN       ARG  65   8.164   3.526  -0.906
  363    HA   ARG  65           HA       ARG  65   7.525   3.991  -3.714
  364   1HB   ARG  65          HB2       ARG  65   9.458   2.091  -2.386
  365   2HB   ARG  65          HB1       ARG  65   9.273   2.264  -4.123
  366   1HG   ARG  65          HG2       ARG  65  10.089   4.493  -2.273
  367   2HG   ARG  65          HG1       ARG  65  11.214   3.483  -3.184
  368   1HD   ARG  65          HD2       ARG  65  10.133   4.214  -5.275
  369   2HD   ARG  65          HD1       ARG  65   9.076   5.271  -4.339
  370    HE   ARG  65           HE       ARG  65  11.535   6.075  -3.586
  371   1HH1  ARG  65          HH11      ARG  65  10.079   5.569  -6.718
  372   2HH1  ARG  65          HH12      ARG  65  11.030   6.788  -7.496
  373   1HH2  ARG  65          HH21      ARG  65  12.790   7.677  -4.609
  374   2HH2  ARG  65          HH22      ARG  65  12.570   7.984  -6.299
  375    H    TRP  66           HN       TRP  66   5.414   3.243  -3.947
  376    HA   TRP  66           HA       TRP  66   4.578   0.690  -2.966
  377   1HB   TRP  66          HB2       TRP  66   2.591   1.157  -4.573
  378   2HB   TRP  66          HB1       TRP  66   2.799   2.173  -3.154
  379    HD1  TRP  66           HD1      TRP  66   3.959   2.343  -6.875
  380    HE1  TRP  66           HE1      TRP  66   3.691   4.775  -7.663
  381    HE3  TRP  66           HE3      TRP  66   2.218   4.416  -2.538
  382    HZ2  TRP  66           HZ2      TRP  66   2.850   7.247  -6.592
  383    HZ3  TRP  66           HZ3      TRP  66   1.704   6.822  -2.504
  384    HH2  TRP  66           HH2      TRP  66   2.014   8.207  -4.490
  385    H    PHE  67           HN       PHE  67   4.850  -1.246  -3.838
  386    HA   PHE  67           HA       PHE  67   5.072  -1.542  -6.726
  387   1HB   PHE  67          HB2       PHE  67   7.241  -2.274  -4.777
  388   2HB   PHE  67          HB1       PHE  67   7.073  -3.119  -6.310
  389    HD1  PHE  67           HD1      PHE  67   7.452   0.292  -4.880
  390    HD2  PHE  67           HD2      PHE  67   8.058  -2.270  -8.221
  391    HE1  PHE  67           HE1      PHE  67   8.739   2.064  -6.001
  392    HE2  PHE  67           HE2      PHE  67   9.349  -0.505  -9.347
  393    HZ   PHE  67           HZ       PHE  67   9.690   1.666  -8.237
  394    H    PHE  68           HN       PHE  68   4.384  -3.488  -7.489
  395    HA   PHE  68           HA       PHE  68   3.794  -5.656  -5.627
  396   1HB   PHE  68          HB2       PHE  68   1.725  -4.389  -5.690
  397   2HB   PHE  68          HB1       PHE  68   1.760  -4.367  -7.449
  398    HD1  PHE  68           HD1      PHE  68   1.113  -6.294  -8.732
  399    HD2  PHE  68           HD2      PHE  68   1.120  -6.405  -4.478
  400    HE1  PHE  68           HE1      PHE  68  -0.205  -8.370  -8.788
  401    HE2  PHE  68           HE2      PHE  68  -0.197  -8.482  -4.526
  402    HZ   PHE  68           HZ       PHE  68  -0.862  -9.468  -6.683
  403    H    SER  69           HN       SER  69   4.311  -7.573  -6.479
  404    HA   SER  69           HA       SER  69   4.888  -9.200  -7.956
  405   1HB   SER  69          HB2       SER  69   2.696  -8.779  -8.972
  406   2HB   SER  69          HB1       SER  69   3.393  -7.497  -9.963
  407    HG   SER  69           HG       SER  69   3.184  -9.621 -10.982
  408    H    GLY  70           HN       GLY  70   6.198  -6.225  -7.949
  409   1HA   GLY  70          HA2       GLY  70   8.536  -6.025  -8.527
  410   2HA   GLY  70          HA1       GLY  70   8.216  -7.016  -9.948
  411    H    ARG  71           HN       ARG  71   5.840  -4.647  -9.277
  412    HA   ARG  71           HA       ARG  71   7.108  -2.699 -11.060
  413   1HB   ARG  71          HB2       ARG  71   4.351  -3.876 -11.450
  414   2HB   ARG  71          HB1       ARG  71   4.958  -2.468 -12.310
  415   1HG   ARG  71          HG2       ARG  71   6.672  -3.789 -13.362
  416   2HG   ARG  71          HG1       ARG  71   6.214  -5.203 -12.410
  417   1HD   ARG  71          HD2       ARG  71   4.050  -5.270 -13.484
  418   2HD   ARG  71          HD1       ARG  71   4.409  -3.788 -14.368
  419    HE   ARG  71           HE       ARG  71   6.340  -5.814 -14.886
  420   1HH1  ARG  71          HH11      ARG  71   3.110  -4.773 -15.698
  421   2HH1  ARG  71          HH12      ARG  71   3.124  -5.530 -17.256
  422   1HH2  ARG  71          HH21      ARG  71   6.358  -6.814 -16.932
  423   2HH2  ARG  71          HH22      ARG  71   4.967  -6.689 -17.957
  424    HA   PRO  72           HA       PRO  72   5.461   0.210  -8.182
  425   1HB   PRO  72          HB2       PRO  72   5.130   2.178 -10.323
  426   2HB   PRO  72          HB1       PRO  72   6.255   2.187  -8.965
  427   1HG   PRO  72          HG2       PRO  72   7.059   1.801 -11.518
  428   2HG   PRO  72          HG1       PRO  72   7.881   1.061 -10.133
  429   1HD   PRO  72          HD2       PRO  72   5.935  -0.154 -12.056
  430   2HD   PRO  72          HD1       PRO  72   7.407  -0.851 -11.349
  431    H    LEU  73           HN       LEU  73   3.441   0.077  -7.389
  432    HA   LEU  73           HA       LEU  73   1.173  -0.250  -9.114
  433   1HB   LEU  73          HB2       LEU  73   1.490   0.056  -6.145
  434   2HB   LEU  73          HB1       LEU  73  -0.097   0.063  -6.889
  435   1HD1  LEU  73          HD21      LEU  73   0.071  -3.382  -5.723
  436   2HD1  LEU  73          HD22      LEU  73  -1.022  -2.028  -6.006
  437   3HD1  LEU  73          HD23      LEU  73   0.324  -1.852  -4.885
  438   1HD2  LEU  73          HD11      LEU  73   0.237  -3.463  -8.167
  439   2HD2  LEU  73          HD12      LEU  73   1.131  -2.219  -9.038
  440   3HD2  LEU  73          HD13      LEU  73  -0.536  -1.926  -8.542
  441    H    THR  74           HN       THR  74  -0.827   1.135  -8.782
  442    HA   THR  74           HA       THR  74  -0.031   3.972  -8.804
  443    HB   THR  74           HB       THR  74  -1.731   4.421 -10.451
  444    HG1  THR  74           HG1      THR  74  -3.382   3.070 -10.242
  445   1HG2  THR  74          HG21      THR  74  -0.878   3.112 -12.352
  446   2HG2  THR  74          HG22      THR  74  -0.094   2.003 -11.226
  447   3HG2  THR  74          HG23      THR  74   0.426   3.687 -11.315
  448    H    ASP  75           HN       ASP  75  -2.236   5.297  -8.744
  449    HA   ASP  75           HA       ASP  75  -3.349   4.807  -6.123
  450   1HB   ASP  75          HB2       ASP  75  -4.270   7.078  -6.344
  451   2HB   ASP  75          HB1       ASP  75  -2.540   7.051  -6.680
  452    H    LYS  76           HN       LYS  76  -4.159   3.110  -8.379
  453    HA   LYS  76           HA       LYS  76  -7.028   3.370  -8.022
  454   1HB   LYS  76          HB2       LYS  76  -5.690   3.370 -10.733
  455   2HB   LYS  76          HB1       LYS  76  -7.398   3.025 -10.494
  456   1HG   LYS  76          HG2       LYS  76  -6.051   5.595  -9.689
  457   2HG   LYS  76          HG1       LYS  76  -6.931   5.350 -11.199
  458   1HD   LYS  76          HD2       LYS  76  -8.948   4.781  -9.881
  459   2HD   LYS  76          HD1       LYS  76  -8.054   5.151  -8.406
  460   1HE   LYS  76          HE2       LYS  76  -8.621   7.075 -10.660
  461   2HE   LYS  76          HE1       LYS  76  -9.463   7.027  -9.112
  462   1HZ   LYS  76          HZ1       LYS  76  -7.757   8.738  -9.147
  463   2HZ   LYS  76          HZ2       LYS  76  -6.569   7.581  -9.482
  464   3HZ   LYS  76          HZ3       LYS  76  -7.385   7.549  -8.002
  465    H    MET  77           HN       MET  77  -4.928   1.580  -7.130
  466    HA   MET  77           HA       MET  77  -5.325  -0.861  -8.646
  467   1HB   MET  77          HB2       MET  77  -3.655  -0.265  -6.207
  468   2HB   MET  77          HB1       MET  77  -3.722  -1.833  -7.000
  469   1HG   MET  77          HG2       MET  77  -2.691   0.748  -8.154
  470   2HG   MET  77          HG1       MET  77  -1.758  -0.681  -7.718
  471   1HE   MET  77          HE1       MET  77  -0.577  -0.743 -10.068
  472   2HE   MET  77          HE2       MET  77  -1.458   0.688 -10.597
  473   3HE   MET  77          HE3       MET  77  -1.433  -0.754 -11.608
  474    H    LYS  78           HN       LYS  78  -6.318   0.422  -5.470
  475    HA   LYS  78           HA       LYS  78  -7.070  -1.993  -4.334
  476   1HB   LYS  78          HB2       LYS  78  -7.817   0.806  -3.841
  477   2HB   LYS  78          HB1       LYS  78  -8.911  -0.415  -3.214
  478   1HG   LYS  78          HG2       LYS  78  -5.951  -0.364  -2.669
  479   2HG   LYS  78          HG1       LYS  78  -7.184   0.296  -1.593
  480   1HD   LYS  78          HD2       LYS  78  -8.117  -1.843  -1.192
  481   2HD   LYS  78          HD1       LYS  78  -7.230  -2.562  -2.533
  482   1HE   LYS  78          HE2       LYS  78  -5.309  -2.759  -1.341
  483   2HE   LYS  78          HE1       LYS  78  -5.620  -1.309  -0.392
  484   1HZ   LYS  78          HZ1       LYS  78  -6.489  -4.062   0.086
  485   2HZ   LYS  78          HZ2       LYS  78  -7.523  -2.820   0.573
  486   3HZ   LYS  78          HZ3       LYS  78  -5.949  -2.896   1.185
  487    H    PHE  79           HN       PHE  79  -9.439   0.351  -5.571
  488    HA   PHE  79           HA       PHE  79 -11.496  -1.531  -5.785
  489   1HB   PHE  79          HB2       PHE  79 -12.789   0.171  -6.748
  490   2HB   PHE  79          HB1       PHE  79 -11.638   1.040  -5.744
  491    HD1  PHE  79           HD1      PHE  79 -13.162   0.957  -8.862
  492    HD2  PHE  79           HD2      PHE  79  -9.397   1.700  -7.026
  493    HE1  PHE  79           HE1      PHE  79 -12.476   2.284 -10.816
  494    HE2  PHE  79           HE2      PHE  79  -8.706   3.030  -8.976
  495    HZ   PHE  79           HZ       PHE  79 -10.245   3.323 -10.875
  496    H    GLU  80           HN       GLU  80  -8.733  -1.277  -7.726
  497    HA   GLU  80           HA       GLU  80 -10.080  -2.105 -10.176
  498   1HB   GLU  80          HB2       GLU  80  -8.278  -0.495 -10.382
  499   2HB   GLU  80          HB1       GLU  80  -7.164  -1.593  -9.581
  500   1HG   GLU  80          HG2       GLU  80  -7.384  -3.167 -11.439
  501   2HG   GLU  80          HG1       GLU  80  -8.495  -2.058 -12.242
  502    H    GLU  81           HN       GLU  81  -8.289  -3.510  -7.552
  503    HA   GLU  81           HA       GLU  81  -7.865  -5.997  -9.023
  504   1HB   GLU  81          HB2       GLU  81  -6.057  -5.000  -7.552
  505   2HB   GLU  81          HB1       GLU  81  -7.080  -5.372  -6.173
  506   1HG   GLU  81          HG2       GLU  81  -5.389  -7.075  -6.473
  507   2HG   GLU  81          HG1       GLU  81  -6.997  -7.742  -6.744
  508    H    LEU  82           HN       LEU  82  -9.137  -4.938  -5.909
  509    HA   LEU  82           HA       LEU  82 -10.978  -5.492  -4.733
  510   1HB   LEU  82          HB2       LEU  82 -11.781  -7.103  -7.153
  511   2HB   LEU  82          HB1       LEU  82 -12.787  -6.728  -5.784
  512    HG   LEU  82           HG       LEU  82 -13.476  -5.258  -7.472
  513   1HD1  LEU  82          HD11      LEU  82 -11.571  -3.751  -5.690
  514   2HD1  LEU  82          HD12      LEU  82 -13.236  -4.184  -5.303
  515   3HD1  LEU  82          HD13      LEU  82 -12.901  -3.046  -6.608
  516   1HD2  LEU  82          HD21      LEU  82 -10.684  -4.269  -7.889
  517   2HD2  LEU  82          HD22      LEU  82 -12.097  -4.065  -8.924
  518   3HD2  LEU  82          HD23      LEU  82 -11.319  -5.641  -8.794
  519    H    LYS  83           HN       LYS  83  -8.728  -7.705  -5.881
  520    HA   LYS  83           HA       LYS  83  -9.724  -9.867  -4.193
  521   1HB   LYS  83          HB2       LYS  83  -7.279  -9.987  -5.924
  522   2HB   LYS  83          HB1       LYS  83  -8.270 -11.317  -5.355
  523   1HG   LYS  83          HG2       LYS  83  -9.286  -9.252  -7.282
  524   2HG   LYS  83          HG1       LYS  83  -8.443 -10.710  -7.807
  525   1HD   LYS  83          HD2       LYS  83 -10.646 -11.382  -7.926
  526   2HD   LYS  83          HD1       LYS  83 -10.200 -11.923  -6.306
  527   1HE   LYS  83          HE2       LYS  83 -11.112  -9.752  -5.446
  528   2HE   LYS  83          HE1       LYS  83 -11.738  -9.448  -7.063
  529   1HZ   LYS  83          HZ1       LYS  83 -13.044 -11.474  -6.899
  530   2HZ   LYS  83          HZ2       LYS  83 -13.423 -10.419  -5.632
  531   3HZ   LYS  83          HZ3       LYS  83 -12.442 -11.768  -5.345
  532    H    ILE  84           HN       ILE  84  -7.884  -7.187  -3.882
  533    HA   ILE  84           HA       ILE  84  -5.549  -7.895  -2.668
  534    HB   ILE  84           HB       ILE  84  -5.602  -5.756  -1.464
  535   1HG1  ILE  84          HG12      ILE  84  -8.170  -5.859  -1.121
  536   2HG1  ILE  84          HG11      ILE  84  -7.427  -4.301  -1.429
  537   1HG2  ILE  84          HG21      ILE  84  -6.460  -5.651  -4.347
  538   2HG2  ILE  84          HG22      ILE  84  -4.816  -5.836  -3.737
  539   3HG2  ILE  84          HG23      ILE  84  -5.694  -4.331  -3.464
  540   1HD1  ILE  84          HD11      ILE  84  -9.414  -4.392  -2.695
  541   2HD1  ILE  84          HD12      ILE  84  -9.013  -5.977  -3.348
  542   3HD1  ILE  84          HD13      ILE  84  -8.078  -4.564  -3.832
  543    HA   PRO  85           HA       PRO  85  -7.798  -8.409   1.530
  544   1HB   PRO  85          HB2       PRO  85 -10.498  -9.283   1.081
  545   2HB   PRO  85          HB1       PRO  85  -9.946  -7.792   1.846
  546   1HG   PRO  85          HG2       PRO  85 -11.265  -7.906  -0.565
  547   2HG   PRO  85          HG1       PRO  85 -10.207  -6.577  -0.061
  548   1HD   PRO  85          HD2       PRO  85  -9.615  -8.895  -1.861
  549   2HD   PRO  85          HD1       PRO  85  -9.133  -7.197  -2.016
  550    H    LYS  86           HN       LYS  86  -6.391 -10.272   0.176
  551    HA   LYS  86           HA       LYS  86  -7.396 -12.711   1.328
  552   1HB   LYS  86          HB2       LYS  86  -8.534 -12.768  -0.819
  553   2HB   LYS  86          HB1       LYS  86  -7.017 -12.509  -1.665
  554   1HG   LYS  86          HG2       LYS  86  -7.678 -14.831  -1.795
  555   2HG   LYS  86          HG1       LYS  86  -6.202 -14.672  -0.842
  556   1HD   LYS  86          HD2       LYS  86  -7.507 -14.825   1.217
  557   2HD   LYS  86          HD1       LYS  86  -8.992 -14.958   0.272
  558   1HE   LYS  86          HE2       LYS  86  -6.685 -16.902   0.235
  559   2HE   LYS  86          HE1       LYS  86  -8.228 -17.147   1.051
  560   1HZ   LYS  86          HZ1       LYS  86  -7.851 -16.818  -1.878
  561   2HZ   LYS  86          HZ2       LYS  86  -9.335 -17.049  -1.098
  562   3HZ   LYS  86          HZ3       LYS  86  -8.170 -18.275  -1.080
  563    H    ASP  87           HN       ASP  87  -5.196 -12.942  -1.369
  564    HA   ASP  87           HA       ASP  87  -2.990 -13.282   0.551
  565   1HB   ASP  87          HB2       ASP  87  -3.683 -15.367  -0.590
  566   2HB   ASP  87          HB1       ASP  87  -3.332 -14.616  -2.143
  567    H    TYR  88           HN       TYR  88  -4.003 -10.918  -1.206
  568    HA   TYR  88           HA       TYR  88  -1.727 -10.448  -2.922
  569   1HB   TYR  88          HB2       TYR  88  -4.200  -8.857  -2.273
  570   2HB   TYR  88          HB1       TYR  88  -2.896  -8.197  -3.257
  571    HD1  TYR  88           HD1      TYR  88  -5.162 -11.155  -3.055
  572    HD2  TYR  88           HD2      TYR  88  -2.928  -8.533  -5.553
  573    HE1  TYR  88           HE1      TYR  88  -6.118 -12.243  -5.043
  574    HE2  TYR  88           HE2      TYR  88  -3.880  -9.613  -7.548
  575    HH   TYR  88           HH       TYR  88  -6.536 -11.719  -7.407
  576    H    VAL  89           HN       VAL  89  -0.096  -8.997  -2.625
  577    HA   VAL  89           HA       VAL  89  -0.046  -7.348  -0.234
  578    HB   VAL  89           HB       VAL  89   0.871  -9.479   0.549
  579   1HG1  VAL  89          HG11      VAL  89   1.682 -10.308  -1.614
  580   2HG1  VAL  89          HG12      VAL  89   2.923 -10.392  -0.365
  581   3HG1  VAL  89          HG13      VAL  89   2.979  -9.113  -1.577
  582   1HG2  VAL  89          HG21      VAL  89   2.659  -7.096   0.325
  583   2HG2  VAL  89          HG22      VAL  89   3.246  -8.563   1.108
  584   3HG2  VAL  89          HG23      VAL  89   1.819  -7.742   1.730
  585    H    VAL  90           HN       VAL  90   0.864  -5.433  -0.678
  586    HA   VAL  90           HA       VAL  90   2.419  -5.170  -3.146
  587    HB   VAL  90           HB       VAL  90   1.439  -2.887  -1.434
  588   1HG1  VAL  90          HG11      VAL  90   2.208  -3.068  -4.350
  589   2HG1  VAL  90          HG12      VAL  90   3.173  -2.358  -3.055
  590   3HG1  VAL  90          HG13      VAL  90   1.641  -1.620  -3.515
  591   1HG2  VAL  90          HG21      VAL  90  -0.045  -4.506  -3.466
  592   2HG2  VAL  90          HG22      VAL  90  -0.391  -2.788  -3.267
  593   3HG2  VAL  90          HG23      VAL  90  -0.579  -3.890  -1.904
  594    H    GLN  91           HN       GLN  91   4.548  -5.173  -3.007
  595    HA   GLN  91           HA       GLN  91   5.823  -4.749  -0.459
  596   1HB   GLN  91          HB2       GLN  91   6.631  -6.527  -1.941
  597   2HB   GLN  91          HB1       GLN  91   7.015  -5.334  -3.175
  598   1HG   GLN  91          HG2       GLN  91   8.223  -4.925  -0.517
  599   2HG   GLN  91          HG1       GLN  91   8.813  -6.298  -1.457
  600   1HE2  GLN  91          HE21      GLN  91  10.204  -3.874  -0.683
  601   2HE2  GLN  91          HE22      GLN  91  10.717  -3.117  -2.148
  602    H    VAL  92           HN       VAL  92   6.718  -2.904   0.227
  603    HA   VAL  92           HA       VAL  92   6.957  -0.726  -1.730
  604    HB   VAL  92           HB       VAL  92   6.517   0.847   0.004
  605   1HG1  VAL  92          HG11      VAL  92   4.479  -1.151   0.770
  606   2HG1  VAL  92          HG12      VAL  92   4.646  -0.808  -0.952
  607   3HG1  VAL  92          HG13      VAL  92   4.286   0.498   0.174
  608   1HG2  VAL  92          HG21      VAL  92   6.480  -1.450   1.939
  609   2HG2  VAL  92          HG22      VAL  92   6.165   0.242   2.319
  610   3HG2  VAL  92          HG23      VAL  92   7.769  -0.260   1.794
  611    H    ILE  93           HN       ILE  93   8.572   0.983  -1.055
  612    HA   ILE  93           HA       ILE  93  10.944  -0.239   0.165
  613    HB   ILE  93           HB       ILE  93  11.278   1.778  -2.010
  614   1HG1  ILE  93          HG12      ILE  93  10.942  -1.197  -2.461
  615   2HG1  ILE  93          HG11      ILE  93   9.816   0.051  -2.988
  616   1HG2  ILE  93          HG21      ILE  93  13.406   0.599  -2.308
  617   2HG2  ILE  93          HG22      ILE  93  12.947  -0.530  -1.033
  618   3HG2  ILE  93          HG23      ILE  93  13.192   1.175  -0.655
  619   1HD1  ILE  93          HD11      ILE  93  12.662  -0.244  -3.918
  620   2HD1  ILE  93          HD12      ILE  93  11.504   0.965  -4.473
  621   3HD1  ILE  93          HD13      ILE  93  11.226  -0.744  -4.811
  622    H    VAL  94           HN       VAL  94  11.632   0.828   1.806
  623    HA   VAL  94           HA       VAL  94  11.460   3.740   1.942
  624    HB   VAL  94           HB       VAL  94   9.568   3.409   3.228
  625   1HG1  VAL  94          HG11      VAL  94   9.208   1.512   4.744
  626   2HG1  VAL  94          HG12      VAL  94  10.805   0.886   4.334
  627   3HG1  VAL  94          HG13      VAL  94   9.549   0.978   3.098
  628   1HG2  VAL  94          HG21      VAL  94  11.421   4.503   4.564
  629   2HG2  VAL  94          HG22      VAL  94  11.619   2.956   5.387
  630   3HG2  VAL  94          HG23      VAL  94  10.088   3.824   5.498
  631    H    SER  95           HN       SER  95  13.611   4.105   1.905
  632    HA   SER  95           HA       SER  95  15.201   2.908   4.071
  633   1HB   SER  95          HB2       SER  95  15.769   1.830   1.917
  634   2HB   SER  95          HB1       SER  95  16.169   3.411   1.246
  635    HG   SER  95           HG       SER  95  17.867   3.571   2.676
  636    H    GLN  96           HN       GLN  96  13.876   5.401   4.156
  637    HA   GLN  96           HA       GLN  96  16.202   7.172   4.391
  638   1HB   GLN  96          HB2       GLN  96  13.541   7.992   3.211
  639   2HB   GLN  96          HB1       GLN  96  14.899   9.065   3.521
  640   1HG   GLN  96          HG2       GLN  96  14.866   6.763   1.582
  641   2HG   GLN  96          HG1       GLN  96  14.762   8.474   1.173
  642   1HE2  GLN  96          HE21      GLN  96  16.726   6.470   0.372
  643   2HE2  GLN  96          HE22      GLN  96  18.263   7.078   0.876
  644    HA   PRO  97           HA       PRO  97  13.948   6.827   8.433
  645   1HB   PRO  97          HB2       PRO  97  16.584   8.023   9.164
  646   2HB   PRO  97          HB1       PRO  97  15.668   6.742   9.965
  647   1HG   PRO  97          HG2       PRO  97  17.800   6.159   8.482
  648   2HG   PRO  97          HG1       PRO  97  16.364   5.119   8.462
  649   1HD   PRO  97          HD2       PRO  97  17.321   7.071   6.423
  650   2HD   PRO  97          HD1       PRO  97  16.472   5.528   6.201
  651    H    VAL  98           HN       VAL  98  15.679   9.452   6.875
  652    HA   VAL  98           HA       VAL  98  13.743  11.338   8.001
  653    HB   VAL  98           HB       VAL  98  16.697  11.957   7.924
  654   1HG1  VAL  98          HG11      VAL  98  15.174  13.877   7.663
  655   2HG1  VAL  98          HG12      VAL  98  16.088  13.942   9.169
  656   3HG1  VAL  98          HG13      VAL  98  14.396  13.445   9.185
  657   1HG2  VAL  98          HG21      VAL  98  14.964  11.241  10.289
  658   2HG2  VAL  98          HG22      VAL  98  16.634  11.805  10.371
  659   3HG2  VAL  98          HG23      VAL  98  16.262  10.257   9.613
  660    H    GLN  99           HN       GLN  99  16.239  10.667   5.599
  661    HA   GLN  99           HA       GLN  99  16.366  11.185   3.387
  662   1HB   GLN  99          HB2       GLN  99  13.882  10.909   3.379
  663   2HB   GLN  99          HB1       GLN  99  13.731  12.625   3.725
  664   1HG   GLN  99          HG2       GLN  99  14.847  13.158   1.627
  665   2HG   GLN  99          HG1       GLN  99  15.026  11.438   1.281
  666   1HE2  GLN  99          HE21      GLN  99  13.642  13.518  -0.224
  667   2HE2  GLN  99          HE22      GLN  99  12.005  12.988  -0.380
  668    H    ASN 100           HN       ASN 100  14.879  13.979   5.050
  669    HA   ASN 100           HA       ASN 100  15.581  16.126   5.315
  670   1HB   ASN 100          HB2       ASN 100  18.270  15.172   4.309
  671   2HB   ASN 100          HB1       ASN 100  17.945  16.654   5.202
  672   1HD2  ASN 100          HD21      ASN 100  19.330  16.139   6.864
  673   2HD2  ASN 100          HD22      ASN 100  18.988  14.896   8.015
  Start of MODEL    7
    1    H    GLY  21           H        GLY  21 -13.613 -11.136   5.730
    2   1HA   GLY  21          HA1       GLY  21 -12.637  -9.049   6.407
    3   2HA   GLY  21          HA2       GLY  21 -12.648  -9.200   4.657
    4    H    TYR  22           HN       TYR  22 -13.112  -7.067   7.053
    5    HA   TYR  22           HA       TYR  22 -15.452  -5.716   6.031
    6   1HB   TYR  22          HB2       TYR  22 -14.985  -4.046   7.762
    7   2HB   TYR  22          HB1       TYR  22 -14.949  -5.672   8.436
    8    HD1  TYR  22           HD1      TYR  22 -12.826  -6.682   9.132
    9    HD2  TYR  22           HD2      TYR  22 -12.993  -2.693   7.661
   10    HE1  TYR  22           HE1      TYR  22 -10.581  -6.257  10.044
   11    HE2  TYR  22           HE2      TYR  22 -10.750  -2.257   8.568
   12    HH   TYR  22           HH       TYR  22  -9.268  -3.142  10.320
   13    H    GLU  23           HN       GLU  23 -15.422  -4.419   4.329
   14    HA   GLU  23           HA       GLU  23 -14.728  -2.978   2.712
   15   1HB   GLU  23          HB2       GLU  23 -12.712  -2.117   4.795
   16   2HB   GLU  23          HB1       GLU  23 -13.166  -1.208   3.360
   17   1HG   GLU  23          HG2       GLU  23 -15.446  -1.002   4.212
   18   2HG   GLU  23          HG1       GLU  23 -14.985  -1.907   5.653
   19    H    CYS  24           HN       CYS  24 -12.320  -2.057   1.846
   20    HA   CYS  24           HA       CYS  24 -11.143  -4.447   0.769
   21   1HB   CYS  24          HB2       CYS  24 -10.199  -1.620   0.330
   22   2HB   CYS  24          HB1       CYS  24  -9.994  -3.006  -0.735
   23    HG   CYS  24           HG       CYS  24 -12.656  -3.159  -1.482
   24    H    GLN  25           HN       GLN  25  -9.173  -5.296   1.239
   25    HA   GLN  25           HA       GLN  25  -7.488  -3.929   3.208
   26   1HB   GLN  25          HB2       GLN  25  -8.151  -6.872   3.352
   27   2HB   GLN  25          HB1       GLN  25  -7.224  -5.932   4.512
   28   1HG   GLN  25          HG2       GLN  25 -10.115  -5.388   3.915
   29   2HG   GLN  25          HG1       GLN  25  -9.584  -6.512   5.165
   30   1HE2  GLN  25          HE21      GLN  25  -8.521  -5.715   6.988
   31   2HE2  GLN  25          HE22      GLN  25  -8.614  -4.050   7.441
   32    H    LEU  26           HN       LEU  26  -5.573  -3.665   2.294
   33    HA   LEU  26           HA       LEU  26  -4.501  -5.847   0.612
   34   1HB   LEU  26          HB2       LEU  26  -5.053  -3.619  -0.519
   35   2HB   LEU  26          HB1       LEU  26  -3.700  -2.958   0.378
   36    HG   LEU  26           HG       LEU  26  -3.236  -5.381  -1.301
   37   1HD1  LEU  26          HD11      LEU  26  -4.552  -3.448  -2.526
   38   2HD1  LEU  26          HD12      LEU  26  -3.219  -4.298  -3.307
   39   3HD1  LEU  26          HD13      LEU  26  -2.950  -2.715  -2.579
   40   1HD2  LEU  26          HD21      LEU  26  -1.038  -4.439  -1.522
   41   2HD2  LEU  26          HD22      LEU  26  -1.489  -4.425   0.180
   42   3HD2  LEU  26          HD23      LEU  26  -1.558  -2.938  -0.759
   43    H    ARG  27           HN       ARG  27  -2.415  -6.547   0.959
   44    HA   ARG  27           HA       ARG  27  -1.275  -5.736   3.512
   45   1HB   ARG  27          HB2       ARG  27  -0.538  -7.995   1.646
   46   2HB   ARG  27          HB1       ARG  27   0.197  -7.706   3.217
   47   1HG   ARG  27          HG2       ARG  27  -1.960  -8.067   4.299
   48   2HG   ARG  27          HG1       ARG  27  -2.704  -8.346   2.724
   49   1HD   ARG  27          HD2       ARG  27  -2.198 -10.452   3.854
   50   2HD   ARG  27          HD1       ARG  27  -1.261 -10.278   2.371
   51    HE   ARG  27           HE       ARG  27   0.195  -9.331   4.618
   52   1HH1  ARG  27          HH11      ARG  27  -0.818 -12.263   3.017
   53   2HH1  ARG  27          HH12      ARG  27   0.516 -13.195   3.608
   54   1HH2  ARG  27          HH21      ARG  27   1.951 -10.556   5.395
   55   2HH2  ARG  27          HH22      ARG  27   2.088 -12.226   4.958
   56    H    LEU  28           HN       LEU  28   0.567  -4.592   3.746
   57    HA   LEU  28           HA       LEU  28   2.008  -3.871   1.270
   58   1HB   LEU  28          HB2       LEU  28   1.591  -2.368   3.836
   59   2HB   LEU  28          HB1       LEU  28   2.728  -1.863   2.600
   60    HG   LEU  28           HG       LEU  28   0.665  -0.597   2.422
   61   1HD1  LEU  28          HD11      LEU  28   1.964  -1.117   0.406
   62   2HD1  LEU  28          HD12      LEU  28   0.240  -0.936   0.071
   63   3HD1  LEU  28          HD13      LEU  28   0.960  -2.544   0.147
   64   1HD2  LEU  28          HD21      LEU  28  -0.791  -3.101   1.664
   65   2HD2  LEU  28          HD22      LEU  28  -1.446  -1.523   2.099
   66   3HD2  LEU  28          HD23      LEU  28  -0.731  -2.553   3.338
   67    H    ARG  29           HN       ARG  29   3.902  -4.908   1.110
   68    HA   ARG  29           HA       ARG  29   5.354  -5.666   3.532
   69   1HB   ARG  29          HB2       ARG  29   5.173  -7.346   1.769
   70   2HB   ARG  29          HB1       ARG  29   5.903  -6.243   0.610
   71   1HG   ARG  29          HG2       ARG  29   7.962  -6.800   1.231
   72   2HG   ARG  29          HG1       ARG  29   7.576  -6.627   2.944
   73   1HD   ARG  29          HD2       ARG  29   8.270  -8.913   2.387
   74   2HD   ARG  29          HD1       ARG  29   6.610  -8.853   2.977
   75    HE   ARG  29           HE       ARG  29   6.502  -8.700   0.206
   76   1HH1  ARG  29          HH11      ARG  29   7.537 -10.978   2.639
   77   2HH1  ARG  29          HH12      ARG  29   7.194 -12.367   1.665
   78   1HH2  ARG  29          HH21      ARG  29   6.049 -10.527  -1.078
   79   2HH2  ARG  29          HH22      ARG  29   6.349 -12.112  -0.446
   80    H    LEU  30           HN       LEU  30   6.386  -3.920   4.388
   81    HA   LEU  30           HA       LEU  30   7.745  -2.087   2.562
   82   1HB   LEU  30          HB2       LEU  30   7.825  -1.437   5.383
   83   2HB   LEU  30          HB1       LEU  30   7.370  -0.431   4.027
   84    HG   LEU  30           HG       LEU  30   5.554  -2.435   5.345
   85   1HD1  LEU  30          HD11      LEU  30   5.434   0.555   5.558
   86   2HD1  LEU  30          HD12      LEU  30   6.227  -0.466   6.757
   87   3HD1  LEU  30          HD13      LEU  30   4.498  -0.640   6.457
   88   1HD2  LEU  30          HD21      LEU  30   5.050  -1.981   2.976
   89   2HD2  LEU  30          HD22      LEU  30   4.911  -0.267   3.370
   90   3HD2  LEU  30          HD23      LEU  30   3.791  -1.426   4.076
   91    H    SER  31           HN       SER  31   9.809  -1.245   3.012
   92    HA   SER  31           HA       SER  31  12.028  -1.363   3.422
   93   1HB   SER  31          HB2       SER  31  12.783  -2.102   5.585
   94   2HB   SER  31          HB1       SER  31  11.238  -1.280   5.795
   95    HG   SER  31           HG       SER  31  11.645  -4.087   5.680
   96    H    THR  32           HN       THR  32  10.384  -4.426   3.765
   97    HA   THR  32           HA       THR  32  11.540  -5.863   1.817
   98    HB   THR  32           HB       THR  32  13.763  -5.560   2.638
   99    HG1  THR  32           HG1      THR  32  13.145  -7.731   1.986
  100   1HG2  THR  32          HG21      THR  32  13.286  -4.906   4.924
  101   2HG2  THR  32          HG22      THR  32  14.424  -6.253   4.920
  102   3HG2  THR  32          HG23      THR  32  12.726  -6.536   5.301
  103    H    GLY  33           HN       GLY  33   9.865  -5.665   4.768
  104   1HA   GLY  33          HA2       GLY  33   8.433  -8.039   4.289
  105   2HA   GLY  33          HA1       GLY  33   9.662  -8.366   5.511
  106    H    LYS  34           HN       LYS  34   8.070  -5.268   5.119
  107    HA   LYS  34           HA       LYS  34   6.979  -5.573   7.820
  108   1HB   LYS  34          HB2       LYS  34   8.348  -3.636   7.547
  109   2HB   LYS  34          HB1       LYS  34   7.541  -3.198   6.055
  110   1HG   LYS  34          HG2       LYS  34   6.992  -1.797   8.040
  111   2HG   LYS  34          HG1       LYS  34   5.606  -2.485   7.204
  112   1HD   LYS  34          HD2       LYS  34   6.635  -4.177   9.350
  113   2HD   LYS  34          HD1       LYS  34   6.045  -2.605   9.899
  114   1HE   LYS  34          HE2       LYS  34   4.045  -3.202   8.275
  115   2HE   LYS  34          HE1       LYS  34   4.578  -4.848   8.617
  116   1HZ   LYS  34          HZ1       LYS  34   4.339  -4.395  10.983
  117   2HZ   LYS  34          HZ2       LYS  34   2.875  -4.153  10.170
  118   3HZ   LYS  34          HZ3       LYS  34   3.805  -2.824  10.648
  119    H    ASP  35           HN       ASP  35   5.404  -7.063   6.772
  120    HA   ASP  35           HA       ASP  35   3.411  -5.995   5.038
  121   1HB   ASP  35          HB2       ASP  35   2.308  -8.198   5.385
  122   2HB   ASP  35          HB1       ASP  35   3.982  -8.333   4.840
  123    H    LEU  36           HN       LEU  36   1.963  -4.737   5.638
  124    HA   LEU  36           HA       LEU  36   0.455  -5.204   8.095
  125   1HB   LEU  36          HB2       LEU  36   2.070  -3.365   8.530
  126   2HB   LEU  36          HB1       LEU  36   1.393  -2.479   7.176
  127    HG   LEU  36           HG       LEU  36  -0.774  -2.361   8.333
  128   1HD1  LEU  36          HD11      LEU  36  -0.616  -4.410   9.633
  129   2HD1  LEU  36          HD12      LEU  36  -0.939  -3.028  10.680
  130   3HD1  LEU  36          HD13      LEU  36   0.685  -3.712  10.599
  131   1HD2  LEU  36          HD21      LEU  36   0.769  -0.528   8.614
  132   2HD2  LEU  36          HD22      LEU  36   1.582  -1.373   9.931
  133   3HD2  LEU  36          HD23      LEU  36  -0.081  -0.820  10.131
  134    H    LYS  37           HN       LYS  37  -1.542  -5.593   7.444
  135    HA   LYS  37           HA       LYS  37  -2.388  -4.725   4.841
  136   1HB   LYS  37          HB2       LYS  37  -3.882  -6.391   4.938
  137   2HB   LYS  37          HB1       LYS  37  -2.894  -6.946   6.271
  138   1HG   LYS  37          HG2       LYS  37  -4.412  -5.910   7.863
  139   2HG   LYS  37          HG1       LYS  37  -5.404  -5.303   6.535
  140   1HD   LYS  37          HD2       LYS  37  -6.353  -7.337   7.524
  141   2HD   LYS  37          HD1       LYS  37  -5.894  -7.584   5.838
  142   1HE   LYS  37          HE2       LYS  37  -5.244  -9.484   7.238
  143   2HE   LYS  37          HE1       LYS  37  -3.839  -8.679   6.540
  144   1HZ   LYS  37          HZ1       LYS  37  -3.492  -7.540   8.642
  145   2HZ   LYS  37          HZ2       LYS  37  -3.487  -9.216   8.867
  146   3HZ   LYS  37          HZ3       LYS  37  -4.842  -8.308   9.311
  147    H    LEU  38           HN       LEU  38  -2.988  -2.720   4.563
  148    HA   LEU  38           HA       LEU  38  -4.372  -1.275   6.686
  149   1HB   LEU  38          HB2       LEU  38  -2.682   0.065   5.811
  150   2HB   LEU  38          HB1       LEU  38  -2.954  -0.494   4.169
  151    HG   LEU  38           HG       LEU  38  -5.171   0.796   4.272
  152   1HD1  LEU  38          HD11      LEU  38  -3.796   2.313   6.469
  153   2HD1  LEU  38          HD12      LEU  38  -4.966   1.039   6.809
  154   3HD1  LEU  38          HD13      LEU  38  -5.457   2.463   5.891
  155   1HD2  LEU  38          HD21      LEU  38  -3.114   1.464   3.031
  156   2HD2  LEU  38          HD22      LEU  38  -2.640   2.420   4.436
  157   3HD2  LEU  38          HD23      LEU  38  -4.120   2.812   3.560
  158    H    VAL  39           HN       VAL  39  -6.339  -0.193   6.344
  159    HA   VAL  39           HA       VAL  39  -8.181  -1.626   4.655
  160    HB   VAL  39           HB       VAL  39  -8.720   0.785   6.393
  161   1HG1  VAL  39          HG11      VAL  39 -10.566  -1.315   5.264
  162   2HG1  VAL  39          HG12      VAL  39 -10.449   0.362   4.733
  163   3HG1  VAL  39          HG13      VAL  39 -11.036  -0.011   6.354
  164   1HG2  VAL  39          HG21      VAL  39  -7.752  -1.034   7.709
  165   2HG2  VAL  39          HG22      VAL  39  -8.970  -2.141   7.079
  166   3HG2  VAL  39          HG23      VAL  39  -9.453  -0.790   8.104
  167    H    VAL  40           HN       VAL  40  -9.388  -0.767   2.971
  168    HA   VAL  40           HA       VAL  40  -8.902   1.930   2.059
  169    HB   VAL  40           HB       VAL  40  -8.264   1.062  -0.267
  170   1HG1  VAL  40          HG11      VAL  40  -6.268   0.728   1.970
  171   2HG1  VAL  40          HG12      VAL  40  -6.733   2.261   1.235
  172   3HG1  VAL  40          HG13      VAL  40  -5.899   1.041   0.275
  173   1HG2  VAL  40          HG21      VAL  40  -6.829  -1.109   0.057
  174   2HG2  VAL  40          HG22      VAL  40  -8.553  -1.220  -0.284
  175   3HG2  VAL  40          HG23      VAL  40  -7.967  -1.417   1.369
  176    H    ARG  41           HN       ARG  41 -10.173   2.291  -0.061
  177    HA   ARG  41           HA       ARG  41 -12.368   0.516  -0.502
  178   1HB   ARG  41          HB2       ARG  41 -12.873   1.931   1.604
  179   2HB   ARG  41          HB1       ARG  41 -13.121   3.248   0.469
  180   1HG   ARG  41          HG2       ARG  41 -14.607   0.628   0.453
  181   2HG   ARG  41          HG1       ARG  41 -15.215   2.150   1.104
  182   1HD   ARG  41          HD2       ARG  41 -14.939   3.146  -1.167
  183   2HD   ARG  41          HD1       ARG  41 -14.523   1.540  -1.766
  184    HE   ARG  41           HE       ARG  41 -16.992   1.468  -0.388
  185   1HH1  ARG  41          HH11      ARG  41 -15.573   2.531  -3.393
  186   2HH1  ARG  41          HH12      ARG  41 -17.049   2.386  -4.286
  187   1HH2  ARG  41          HH21      ARG  41 -18.933   1.277  -1.560
  188   2HH2  ARG  41          HH22      ARG  41 -18.957   1.674  -3.246
  189    H    SER  42           HN       SER  42 -11.850   0.506  -2.618
  190    HA   SER  42           HA       SER  42 -11.539   1.164  -4.764
  191   1HB   SER  42          HB2       SER  42 -13.468   2.318  -5.703
  192   2HB   SER  42          HB1       SER  42 -13.979   1.132  -4.502
  193    HG   SER  42           HG       SER  42 -14.452   3.754  -4.549
  194    H    THR  43           HN       THR  43 -12.201   4.146  -2.892
  195    HA   THR  43           HA       THR  43 -10.567   5.655  -4.763
  196    HB   THR  43           HB       THR  43 -11.264   7.634  -3.474
  197    HG1  THR  43           HG1      THR  43 -12.797   5.792  -1.928
  198   1HG2  THR  43          HG21      THR  43 -13.557   5.811  -4.210
  199   2HG2  THR  43          HG22      THR  43 -12.675   6.863  -5.317
  200   3HG2  THR  43          HG23      THR  43 -13.653   7.563  -4.027
  201    H    ASP  44           HN       ASP  44 -10.095   3.860  -1.988
  202    HA   ASP  44           HA       ASP  44  -7.945   5.560  -0.972
  203   1HB   ASP  44          HB2       ASP  44  -9.778   3.963   0.317
  204   2HB   ASP  44          HB1       ASP  44  -8.331   2.962   0.321
  205    H    THR  45           HN       THR  45  -7.781   4.156  -3.573
  206    HA   THR  45           HA       THR  45  -6.265   1.860  -3.645
  207    HB   THR  45           HB       THR  45  -5.265   2.739  -5.746
  208    HG1  THR  45           HG1      THR  45  -6.621   5.106  -4.928
  209   1HG2  THR  45          HG21      THR  45  -8.141   2.625  -5.139
  210   2HG2  THR  45          HG22      THR  45  -7.207   1.773  -6.369
  211   3HG2  THR  45          HG23      THR  45  -7.724   3.437  -6.648
  212    H    VAL  46           HN       VAL  46  -3.884   1.850  -4.403
  213    HA   VAL  46           HA       VAL  46  -2.120   2.067  -2.470
  214    HB   VAL  46           HB       VAL  46  -1.805   2.398  -5.397
  215   1HG1  VAL  46          HG11      VAL  46   0.659   2.514  -5.168
  216   2HG1  VAL  46          HG12      VAL  46   0.449   2.861  -3.451
  217   3HG1  VAL  46          HG13      VAL  46  -0.163   3.989  -4.662
  218   1HG2  VAL  46          HG21      VAL  46  -1.782   0.308  -3.565
  219   2HG2  VAL  46          HG22      VAL  46  -0.090   0.508  -4.020
  220   3HG2  VAL  46          HG23      VAL  46  -1.313   0.229  -5.261
  221    H    PHE  47           HN       PHE  47  -3.318   4.907  -4.139
  222    HA   PHE  47           HA       PHE  47  -1.300   6.718  -3.283
  223   1HB   PHE  47          HB2       PHE  47  -2.879   7.212  -5.133
  224   2HB   PHE  47          HB1       PHE  47  -4.191   7.303  -3.964
  225    HD1  PHE  47           HD1      PHE  47  -1.088   8.911  -5.118
  226    HD2  PHE  47           HD2      PHE  47  -4.529   9.239  -2.637
  227    HE1  PHE  47           HE1      PHE  47  -0.605  11.299  -4.771
  228    HE2  PHE  47           HE2      PHE  47  -4.054  11.628  -2.286
  229    HZ   PHE  47           HZ       PHE  47  -2.090  12.660  -3.354
  230    H    HIS  48           HN       HIS  48  -4.564   6.034  -2.063
  231    HA   HIS  48           HA       HIS  48  -4.067   7.515   0.354
  232   1HB   HIS  48          HB2       HIS  48  -6.286   5.582  -0.320
  233   2HB   HIS  48          HB1       HIS  48  -6.248   6.665   1.066
  234    HD1  HIS  48           HD1      HIS  48  -7.609   8.693   0.728
  235    HD2  HIS  48           HD2      HIS  48  -6.056   7.269  -2.853
  236    HE1  HIS  48           HE1      HIS  48  -8.485  10.243  -1.048
  237    HE2  HIS  48           HE2      HIS  48  -7.467   9.410  -3.196
  238    H    MET  49           HN       MET  49  -4.204   4.172  -0.716
  239    HA   MET  49           HA       MET  49  -3.862   2.774   1.578
  240   1HB   MET  49          HB2       MET  49  -3.817   2.063  -0.982
  241   2HB   MET  49          HB1       MET  49  -2.081   2.064  -0.692
  242   1HG   MET  49          HG2       MET  49  -2.344   0.458   1.097
  243   2HG   MET  49          HG1       MET  49  -4.095   0.487   0.888
  244   1HE   MET  49          HE1       MET  49  -4.317   0.652  -2.301
  245   2HE   MET  49          HE2       MET  49  -5.332  -0.388  -1.302
  246   3HE   MET  49          HE3       MET  49  -4.487  -1.058  -2.698
  247    H    LYS  50           HN       LYS  50  -1.420   4.433  -0.326
  248    HA   LYS  50           HA       LYS  50   0.725   3.862   1.474
  249   1HB   LYS  50          HB2       LYS  50   2.089   5.202   0.048
  250   2HB   LYS  50          HB1       LYS  50   1.009   4.295  -0.997
  251   1HG   LYS  50          HG2       LYS  50  -0.382   6.233  -1.311
  252   2HG   LYS  50          HG1       LYS  50   0.592   7.159  -0.170
  253   1HD   LYS  50          HD2       LYS  50   2.540   6.863  -1.668
  254   2HD   LYS  50          HD1       LYS  50   1.492   6.034  -2.820
  255   1HE   LYS  50          HE2       LYS  50   0.104   8.057  -2.984
  256   2HE   LYS  50          HE1       LYS  50   1.192   8.880  -1.868
  257   1HZ   LYS  50          HZ1       LYS  50   2.993   8.514  -3.486
  258   2HZ   LYS  50          HZ2       LYS  50   1.746   9.473  -4.107
  259   3HZ   LYS  50          HZ3       LYS  50   1.873   7.852  -4.568
  260    H    ARG  51           HN       ARG  51  -1.634   6.382   0.977
  261    HA   ARG  51           HA       ARG  51  -0.561   8.435   2.494
  262   1HB   ARG  51          HB2       ARG  51  -2.606   8.666   1.135
  263   2HB   ARG  51          HB1       ARG  51  -3.470   7.658   2.285
  264   1HG   ARG  51          HG2       ARG  51  -3.027   9.340   4.038
  265   2HG   ARG  51          HG1       ARG  51  -2.281  10.368   2.815
  266   1HD   ARG  51          HD2       ARG  51  -4.367  10.484   1.591
  267   2HD   ARG  51          HD1       ARG  51  -5.123   9.363   2.723
  268    HE   ARG  51           HE       ARG  51  -4.077  11.735   3.967
  269   1HH1  ARG  51          HH11      ARG  51  -6.828  10.335   2.338
  270   2HH1  ARG  51          HH12      ARG  51  -7.963  11.436   3.041
  271   1HH2  ARG  51          HH21      ARG  51  -5.570  13.185   4.893
  272   2HH2  ARG  51          HH22      ARG  51  -7.249  13.055   4.491
  273    H    ARG  52           HN       ARG  52  -3.063   6.158   3.573
  274    HA   ARG  52           HA       ARG  52  -2.742   6.652   6.306
  275   1HB   ARG  52          HB2       ARG  52  -3.849   4.258   4.839
  276   2HB   ARG  52          HB1       ARG  52  -3.896   4.415   6.589
  277   1HG   ARG  52          HG2       ARG  52  -5.157   6.552   6.278
  278   2HG   ARG  52          HG1       ARG  52  -5.252   6.168   4.557
  279   1HD   ARG  52          HD2       ARG  52  -6.452   4.125   5.042
  280   2HD   ARG  52          HD1       ARG  52  -6.272   4.398   6.775
  281    HE   ARG  52           HE       ARG  52  -7.619   6.525   5.377
  282   1HH1  ARG  52          HH11      ARG  52  -8.003   3.478   7.036
  283   2HH1  ARG  52          HH12      ARG  52  -9.665   3.760   7.431
  284   1HH2  ARG  52          HH21      ARG  52  -9.805   6.897   5.895
  285   2HH2  ARG  52          HH22      ARG  52 -10.689   5.700   6.782
  286    H    LEU  53           HN       LEU  53  -0.974   4.623   4.068
  287    HA   LEU  53           HA       LEU  53   0.244   2.842   5.815
  288   1HB   LEU  53          HB2       LEU  53   0.709   3.809   3.172
  289   2HB   LEU  53          HB1       LEU  53   2.242   3.745   4.013
  290    HG   LEU  53           HG       LEU  53   1.711   1.684   2.726
  291   1HD1  LEU  53          HD11      LEU  53   3.239   1.651   4.650
  292   2HD1  LEU  53          HD12      LEU  53   2.368   0.131   4.458
  293   3HD1  LEU  53          HD13      LEU  53   1.876   1.275   5.707
  294   1HD2  LEU  53          HD21      LEU  53   0.033   0.187   4.134
  295   2HD2  LEU  53          HD22      LEU  53  -0.514   1.221   2.817
  296   3HD2  LEU  53          HD23      LEU  53  -0.677   1.762   4.487
  297    H    HIS  54           HN       HIS  54   1.418   6.092   4.882
  298    HA   HIS  54           HA       HIS  54   3.536   6.209   6.698
  299   1HB   HIS  54          HB2       HIS  54   3.398   7.873   4.971
  300   2HB   HIS  54          HB1       HIS  54   1.807   8.390   5.511
  301    HD1  HIS  54           HD1      HIS  54   5.448   8.703   6.333
  302    HD2  HIS  54           HD2      HIS  54   1.797  10.175   7.657
  303    HE1  HIS  54           HE1      HIS  54   6.012  10.575   7.913
  304    HE2  HIS  54           HE2      HIS  54   3.789  11.392   8.772
  305    H    ALA  55           HN       ALA  55   0.121   7.032   6.998
  306    HA   ALA  55           HA       ALA  55   0.148   8.210   9.521
  307   1HB   ALA  55          HB1       ALA  55  -2.046   6.472   8.404
  308   2HB   ALA  55          HB2       ALA  55  -1.790   8.163   7.980
  309   3HB   ALA  55          HB3       ALA  55  -2.204   7.723   9.636
  310    H    ALA  56           HN       ALA  56  -0.114   4.757   8.668
  311    HA   ALA  56           HA       ALA  56  -0.217   4.017  11.475
  312   1HB   ALA  56          HB1       ALA  56  -0.132   2.270   9.020
  313   2HB   ALA  56          HB2       ALA  56  -1.593   2.819   9.842
  314   3HB   ALA  56          HB3       ALA  56  -0.468   1.739  10.669
  315    H    GLU  57           HN       GLU  57   2.029   3.696   8.754
  316    HA   GLU  57           HA       GLU  57   4.017   2.414  10.448
  317   1HB   GLU  57          HB2       GLU  57   4.405   3.264   7.587
  318   2HB   GLU  57          HB1       GLU  57   5.248   2.001   8.473
  319   1HG   GLU  57          HG2       GLU  57   2.364   1.948   7.629
  320   2HG   GLU  57          HG1       GLU  57   3.686   1.067   6.869
  321    H    GLY  58           HN       GLY  58   4.145   5.139   8.164
  322   1HA   GLY  58          HA2       GLY  58   4.813   7.312   9.369
  323   2HA   GLY  58          HA1       GLY  58   6.217   6.365   9.859
  324    H    VAL  59           HN       VAL  59   5.640   5.141   6.943
  325    HA   VAL  59           HA       VAL  59   7.599   6.849   5.663
  326    HB   VAL  59           HB       VAL  59   6.333   4.262   4.737
  327   1HG1  VAL  59          HG11      VAL  59   7.824   4.196   2.983
  328   2HG1  VAL  59          HG12      VAL  59   8.936   5.325   3.753
  329   3HG1  VAL  59          HG13      VAL  59   7.434   5.912   3.052
  330   1HG2  VAL  59          HG21      VAL  59   7.627   4.056   6.822
  331   2HG2  VAL  59          HG22      VAL  59   9.021   4.756   5.998
  332   3HG2  VAL  59          HG23      VAL  59   8.376   3.200   5.474
  333    H    GLU  60           HN       GLU  60   6.950   8.536   4.508
  334    HA   GLU  60           HA       GLU  60   4.264   8.832   3.539
  335   1HB   GLU  60          HB2       GLU  60   6.643  10.525   3.842
  336   2HB   GLU  60          HB1       GLU  60   5.676  10.902   2.424
  337   1HG   GLU  60          HG2       GLU  60   3.683  11.032   3.945
  338   2HG   GLU  60          HG1       GLU  60   4.805  10.913   5.297
  339    HA   PRO  61           HA       PRO  61   4.116   7.823  -0.750
  340   1HB   PRO  61          HB2       PRO  61   4.564  10.461  -1.823
  341   2HB   PRO  61          HB1       PRO  61   3.066   9.533  -1.765
  342   1HG   PRO  61          HG2       PRO  61   4.020  11.657   0.027
  343   2HG   PRO  61          HG1       PRO  61   2.373  11.065  -0.238
  344   1HD   PRO  61          HD2       PRO  61   3.721  10.588   2.044
  345   2HD   PRO  61          HD1       PRO  61   2.578   9.412   1.366
  346    H    GLY  62           HN       GLY  62   6.526  10.421  -0.286
  347   1HA   GLY  62          HA2       GLY  62   8.215   9.444  -2.369
  348   2HA   GLY  62          HA1       GLY  62   8.620  10.694  -1.206
  349    H    SER  63           HN       SER  63   7.774   8.372   0.821
  350    HA   SER  63           HA       SER  63  10.515   7.347   0.976
  351   1HB   SER  63          HB2       SER  63   8.380   7.400   3.124
  352   2HB   SER  63          HB1       SER  63  10.049   6.881   3.329
  353    HG   SER  63           HG       SER  63   9.256   9.478   2.512
  354    H    GLN  64           HN       GLN  64   7.140   6.347   0.877
  355    HA   GLN  64           HA       GLN  64   8.008   3.555   0.891
  356   1HB   GLN  64          HB2       GLN  64   5.279   3.466   0.646
  357   2HB   GLN  64          HB1       GLN  64   6.174   3.310   2.144
  358   1HG   GLN  64          HG2       GLN  64   4.531   4.862   2.617
  359   2HG   GLN  64          HG1       GLN  64   5.947   5.853   2.302
  360   1HE2  GLN  64          HE21      GLN  64   3.178   6.603   2.166
  361   2HE2  GLN  64          HE22      GLN  64   2.876   7.120   0.546
  362    H    ARG  65           HN       ARG  65   8.965   3.534  -1.189
  363    HA   ARG  65           HA       ARG  65   7.477   4.231  -3.513
  364   1HB   ARG  65          HB2       ARG  65   9.857   2.382  -3.266
  365   2HB   ARG  65          HB1       ARG  65   9.247   3.080  -4.757
  366   1HG   ARG  65          HG2       ARG  65   9.789   5.316  -3.933
  367   2HG   ARG  65          HG1       ARG  65  10.413   4.609  -2.441
  368   1HD   ARG  65          HD2       ARG  65  12.105   3.398  -3.714
  369   2HD   ARG  65          HD1       ARG  65  11.468   4.066  -5.215
  370    HE   ARG  65           HE       ARG  65  12.093   6.222  -3.600
  371   1HH1  ARG  65          HH11      ARG  65  13.793   3.554  -5.073
  372   2HH1  ARG  65          HH12      ARG  65  15.285   4.422  -5.219
  373   1HH2  ARG  65          HH21      ARG  65  14.055   7.364  -3.790
  374   2HH2  ARG  65          HH22      ARG  65  15.434   6.584  -4.490
  375    H    TRP  66           HN       TRP  66   5.684   3.237  -4.034
  376    HA   TRP  66           HA       TRP  66   4.954   0.651  -3.116
  377   1HB   TRP  66          HB2       TRP  66   3.232   1.249  -5.220
  378   2HB   TRP  66          HB1       TRP  66   2.954   1.573  -3.515
  379    HD1  TRP  66           HD1      TRP  66   2.735   4.057  -2.824
  380    HE1  TRP  66           HE1      TRP  66   2.992   6.311  -4.040
  381    HE3  TRP  66           HE3      TRP  66   4.712   2.387  -7.236
  382    HZ2  TRP  66           HZ2      TRP  66   3.910   7.256  -6.533
  383    HZ3  TRP  66           HZ3      TRP  66   5.251   4.031  -8.982
  384    HH2  TRP  66           HH2      TRP  66   4.857   6.416  -8.637
  385    H    PHE  67           HN       PHE  67   5.227  -1.296  -3.974
  386    HA   PHE  67           HA       PHE  67   5.686  -1.618  -6.821
  387   1HB   PHE  67          HB2       PHE  67   7.775  -2.327  -4.763
  388   2HB   PHE  67          HB1       PHE  67   7.763  -2.995  -6.390
  389    HD1  PHE  67           HD1      PHE  67   9.042  -0.457  -4.366
  390    HD2  PHE  67           HD2      PHE  67   7.611  -1.181  -8.307
  391    HE1  PHE  67           HE1      PHE  67  10.298   1.496  -5.177
  392    HE2  PHE  67           HE2      PHE  67   8.865   0.773  -9.125
  393    HZ   PHE  67           HZ       PHE  67  10.210   2.114  -7.559
  394    H    PHE  68           HN       PHE  68   4.859  -3.469  -7.551
  395    HA   PHE  68           HA       PHE  68   4.283  -5.620  -5.632
  396   1HB   PHE  68          HB2       PHE  68   2.197  -4.474  -6.128
  397   2HB   PHE  68          HB1       PHE  68   2.502  -4.598  -7.857
  398    HD1  PHE  68           HD1      PHE  68   2.430  -6.825  -8.957
  399    HD2  PHE  68           HD2      PHE  68   1.219  -6.250  -4.919
  400    HE1  PHE  68           HE1      PHE  68   1.227  -8.970  -9.018
  401    HE2  PHE  68           HE2      PHE  68   0.014  -8.395  -4.972
  402    HZ   PHE  68           HZ       PHE  68   0.018  -9.758  -7.022
  403    H    SER  69           HN       SER  69   5.727  -7.143  -6.167
  404    HA   SER  69           HA       SER  69   6.806  -8.752  -7.352
  405   1HB   SER  69          HB2       SER  69   4.559  -9.415  -8.068
  406   2HB   SER  69          HB1       SER  69   4.621  -8.246  -9.387
  407    HG   SER  69           HG       SER  69   5.397 -10.720  -9.483
  408    H    GLY  70           HN       GLY  70   7.174  -5.711  -7.902
  409   1HA   GLY  70          HA2       GLY  70   9.230  -4.977  -8.953
  410   2HA   GLY  70          HA1       GLY  70   8.918  -6.135 -10.244
  411    H    ARG  71           HN       ARG  71   6.074  -4.558  -9.343
  412    HA   ARG  71           HA       ARG  71   6.413  -2.618 -11.535
  413   1HB   ARG  71          HB2       ARG  71   3.924  -4.116 -10.700
  414   2HB   ARG  71          HB1       ARG  71   3.970  -2.858 -11.927
  415   1HG   ARG  71          HG2       ARG  71   5.435  -4.211 -13.301
  416   2HG   ARG  71          HG1       ARG  71   5.482  -5.458 -12.055
  417   1HD   ARG  71          HD2       ARG  71   3.101  -5.841 -12.311
  418   2HD   ARG  71          HD1       ARG  71   2.993  -4.530 -13.482
  419    HE   ARG  71           HE       ARG  71   3.976  -5.892 -15.084
  420   1HH1  ARG  71          HH11      ARG  71   3.932  -7.500 -11.983
  421   2HH1  ARG  71          HH12      ARG  71   4.287  -9.058 -12.649
  422   1HH2  ARG  71          HH21      ARG  71   4.444  -7.938 -15.955
  423   2HH2  ARG  71          HH22      ARG  71   4.578  -9.307 -14.902
  424    HA   PRO  72           HA       PRO  72   5.581   0.404  -8.363
  425   1HB   PRO  72          HB2       PRO  72   5.012   2.303 -10.517
  426   2HB   PRO  72          HB1       PRO  72   6.330   2.310  -9.344
  427   1HG   PRO  72          HG2       PRO  72   6.719   1.790 -11.969
  428   2HG   PRO  72          HG1       PRO  72   7.713   1.068 -10.692
  429   1HD   PRO  72          HD2       PRO  72   5.457  -0.131 -12.248
  430   2HD   PRO  72          HD1       PRO  72   6.990  -0.866 -11.730
  431    H    LEU  73           HN       LEU  73   3.709   0.553  -7.257
  432    HA   LEU  73           HA       LEU  73   1.198   0.208  -8.636
  433   1HB   LEU  73          HB2       LEU  73   1.792   0.777  -5.740
  434   2HB   LEU  73          HB1       LEU  73   0.187   0.511  -6.378
  435   1HD1  LEU  73          HD21      LEU  73  -0.578  -1.841  -6.869
  436   2HD1  LEU  73          HD22      LEU  73   0.659  -3.071  -7.123
  437   3HD1  LEU  73          HD23      LEU  73   0.555  -1.687  -8.211
  438   1HD2  LEU  73          HD11      LEU  73   3.497  -1.018  -5.996
  439   2HD2  LEU  73          HD12      LEU  73   3.045  -1.613  -7.595
  440   3HD2  LEU  73          HD13      LEU  73   2.960  -2.685  -6.200
  441    H    THR  74           HN       THR  74  -0.408   1.656  -9.001
  442    HA   THR  74           HA       THR  74   0.294   4.488  -8.668
  443    HB   THR  74           HB       THR  74  -1.253   4.955 -10.503
  444    HG1  THR  74           HG1      THR  74  -2.769   3.455 -10.657
  445   1HG2  THR  74          HG21      THR  74   1.080   4.467 -11.049
  446   2HG2  THR  74          HG22      THR  74   0.003   3.884 -12.318
  447   3HG2  THR  74          HG23      THR  74   0.702   2.748 -11.163
  448    H    ASP  75           HN       ASP  75  -1.931   5.802  -8.872
  449    HA   ASP  75           HA       ASP  75  -3.320   5.314  -6.408
  450   1HB   ASP  75          HB2       ASP  75  -2.658   7.584  -7.052
  451   2HB   ASP  75          HB1       ASP  75  -3.660   7.480  -8.495
  452    H    LYS  76           HN       LYS  76  -3.726   3.521  -8.823
  453    HA   LYS  76           HA       LYS  76  -6.639   3.484  -8.664
  454   1HB   LYS  76          HB2       LYS  76  -5.055   3.434 -11.237
  455   2HB   LYS  76          HB1       LYS  76  -6.760   3.023 -11.123
  456   1HG   LYS  76          HG2       LYS  76  -6.902   5.202 -11.781
  457   2HG   LYS  76          HG1       LYS  76  -6.933   5.401 -10.028
  458   1HD   LYS  76          HD2       LYS  76  -5.342   6.953 -10.585
  459   2HD   LYS  76          HD1       LYS  76  -4.321   5.538 -10.334
  460   1HE   LYS  76          HE2       LYS  76  -5.351   6.537 -12.986
  461   2HE   LYS  76          HE1       LYS  76  -3.706   6.717 -12.379
  462   1HZ   LYS  76          HZ1       LYS  76  -5.079   4.175 -13.059
  463   2HZ   LYS  76          HZ2       LYS  76  -3.556   4.266 -12.332
  464   3HZ   LYS  76          HZ3       LYS  76  -3.787   4.884 -13.889
  465    H    MET  77           HN       MET  77  -4.490   1.916  -7.480
  466    HA   MET  77           HA       MET  77  -4.566  -0.611  -8.909
  467   1HB   MET  77          HB2       MET  77  -3.127   0.265  -6.414
  468   2HB   MET  77          HB1       MET  77  -3.069  -1.380  -7.033
  469   1HG   MET  77          HG2       MET  77  -2.117   1.107  -8.429
  470   2HG   MET  77          HG1       MET  77  -1.117  -0.169  -7.741
  471   1HE   MET  77          HE1       MET  77  -0.953   0.994 -10.768
  472   2HE   MET  77          HE2       MET  77  -0.717  -0.486 -11.697
  473   3HE   MET  77          HE3       MET  77   0.162  -0.243 -10.188
  474    H    LYS  78           HN       LYS  78  -5.718   0.634  -5.752
  475    HA   LYS  78           HA       LYS  78  -6.564  -1.820  -4.764
  476   1HB   LYS  78          HB2       LYS  78  -6.430   0.162  -3.377
  477   2HB   LYS  78          HB1       LYS  78  -7.821   0.850  -4.210
  478   1HG   LYS  78          HG2       LYS  78  -8.000  -1.797  -2.829
  479   2HG   LYS  78          HG1       LYS  78  -8.137  -0.290  -1.923
  480   1HD   LYS  78          HD2       LYS  78 -10.274  -0.182  -2.478
  481   2HD   LYS  78          HD1       LYS  78  -9.818  -0.042  -4.174
  482   1HE   LYS  78          HE2       LYS  78  -9.796  -2.491  -4.352
  483   2HE   LYS  78          HE1       LYS  78 -10.266  -2.614  -2.661
  484   1HZ   LYS  78          HZ1       LYS  78 -12.272  -1.232  -3.347
  485   2HZ   LYS  78          HZ2       LYS  78 -12.241  -2.845  -3.848
  486   3HZ   LYS  78          HZ3       LYS  78 -11.859  -1.614  -4.938
  487    H    PHE  79           HN       PHE  79  -8.784   0.665  -6.007
  488    HA   PHE  79           HA       PHE  79 -10.953  -1.012  -6.367
  489   1HB   PHE  79          HB2       PHE  79 -11.050   1.467  -6.412
  490   2HB   PHE  79          HB1       PHE  79 -10.286   1.447  -7.994
  491    HD1  PHE  79           HD1      PHE  79 -11.594   1.410  -9.892
  492    HD2  PHE  79           HD2      PHE  79 -13.262   0.121  -6.195
  493    HE1  PHE  79           HE1      PHE  79 -13.801   1.210 -10.962
  494    HE2  PHE  79           HE2      PHE  79 -15.472  -0.081  -7.258
  495    HZ   PHE  79           HZ       PHE  79 -15.743   0.464  -9.644
  496    H    GLU  80           HN       GLU  80  -8.057  -1.052  -8.170
  497    HA   GLU  80           HA       GLU  80  -9.348  -1.956 -10.619
  498   1HB   GLU  80          HB2       GLU  80  -7.438  -0.469 -10.823
  499   2HB   GLU  80          HB1       GLU  80  -6.429  -1.597  -9.929
  500   1HG   GLU  80          HG2       GLU  80  -7.761  -2.378 -12.497
  501   2HG   GLU  80          HG1       GLU  80  -6.218  -1.526 -12.476
  502    H    GLU  81           HN       GLU  81  -7.811  -3.310  -7.822
  503    HA   GLU  81           HA       GLU  81  -7.454  -5.897  -9.126
  504   1HB   GLU  81          HB2       GLU  81  -5.679  -4.938  -7.596
  505   2HB   GLU  81          HB1       GLU  81  -6.810  -5.158  -6.268
  506   1HG   GLU  81          HG2       GLU  81  -5.169  -6.972  -6.433
  507   2HG   GLU  81          HG1       GLU  81  -6.828  -7.540  -6.618
  508    H    LEU  82           HN       LEU  82  -8.805  -4.650  -6.116
  509    HA   LEU  82           HA       LEU  82 -10.761  -5.008  -5.045
  510   1HB   LEU  82          HB2       LEU  82 -11.537  -6.671  -7.438
  511   2HB   LEU  82          HB1       LEU  82 -12.588  -6.156  -6.151
  512    HG   LEU  82           HG       LEU  82 -13.073  -4.732  -7.948
  513   1HD1  LEU  82          HD11      LEU  82 -11.186  -3.273  -6.109
  514   2HD1  LEU  82          HD12      LEU  82 -12.900  -3.574  -5.823
  515   3HD1  LEU  82          HD13      LEU  82 -12.399  -2.524  -7.149
  516   1HD2  LEU  82          HD21      LEU  82 -10.844  -5.311  -9.096
  517   2HD2  LEU  82          HD22      LEU  82 -10.217  -3.901  -8.243
  518   3HD2  LEU  82          HD23      LEU  82 -11.554  -3.723  -9.378
  519    H    LYS  83           HN       LYS  83  -8.728  -7.526  -6.127
  520    HA   LYS  83           HA       LYS  83  -9.898  -9.420  -4.224
  521   1HB   LYS  83          HB2       LYS  83  -7.688 -10.147  -6.092
  522   2HB   LYS  83          HB1       LYS  83  -8.968 -11.157  -5.451
  523   1HG   LYS  83          HG2       LYS  83  -9.533  -8.955  -7.405
  524   2HG   LYS  83          HG1       LYS  83  -9.026 -10.562  -7.935
  525   1HD   LYS  83          HD2       LYS  83 -11.348 -10.694  -7.996
  526   2HD   LYS  83          HD1       LYS  83 -10.944 -11.412  -6.434
  527   1HE   LYS  83          HE2       LYS  83 -11.383  -9.251  -5.357
  528   2HE   LYS  83          HE1       LYS  83 -11.858  -8.582  -6.915
  529   1HZ   LYS  83          HZ1       LYS  83 -13.782  -9.258  -5.629
  530   2HZ   LYS  83          HZ2       LYS  83 -13.192 -10.839  -5.517
  531   3HZ   LYS  83          HZ3       LYS  83 -13.646 -10.211  -7.021
  532    H    ILE  84           HN       ILE  84  -8.412  -7.160  -3.351
  533    HA   ILE  84           HA       ILE  84  -5.764  -8.067  -2.651
  534    HB   ILE  84           HB       ILE  84  -5.556  -5.914  -1.482
  535   1HG1  ILE  84          HG12      ILE  84  -8.378  -5.420  -2.459
  536   2HG1  ILE  84          HG11      ILE  84  -7.935  -5.733  -0.784
  537   1HG2  ILE  84          HG21      ILE  84  -5.865  -4.474  -3.529
  538   2HG2  ILE  84          HG22      ILE  84  -6.583  -5.883  -4.309
  539   3HG2  ILE  84          HG23      ILE  84  -4.908  -5.937  -3.761
  540   1HD1  ILE  84          HD11      ILE  84  -6.666  -3.469  -2.249
  541   2HD1  ILE  84          HD12      ILE  84  -6.962  -3.671  -0.521
  542   3HD1  ILE  84          HD13      ILE  84  -8.299  -3.305  -1.608
  543    HA   PRO  85           HA       PRO  85  -8.452  -7.949   1.634
  544   1HB   PRO  85          HB2       PRO  85 -10.030 -10.205   0.453
  545   2HB   PRO  85          HB1       PRO  85 -10.488  -9.054   1.716
  546   1HG   PRO  85          HG2       PRO  85 -11.368  -8.719  -0.760
  547   2HG   PRO  85          HG1       PRO  85 -10.831  -7.324   0.196
  548   1HD   PRO  85          HD2       PRO  85  -9.480  -8.710  -2.062
  549   2HD   PRO  85          HD1       PRO  85  -9.429  -6.998  -1.597
  550    H    LYS  86           HN       LYS  86  -6.377  -8.652   2.239
  551    HA   LYS  86           HA       LYS  86  -4.856 -10.097   3.106
  552   1HB   LYS  86          HB2       LYS  86  -6.945 -10.859   4.290
  553   2HB   LYS  86          HB1       LYS  86  -7.087 -12.128   3.084
  554   1HG   LYS  86          HG2       LYS  86  -4.964 -13.068   3.784
  555   2HG   LYS  86          HG1       LYS  86  -4.750 -11.759   4.947
  556   1HD   LYS  86          HD2       LYS  86  -6.750 -12.490   6.142
  557   2HD   LYS  86          HD1       LYS  86  -6.988 -13.784   4.966
  558   1HE   LYS  86          HE2       LYS  86  -4.829 -14.754   5.613
  559   2HE   LYS  86          HE1       LYS  86  -4.613 -13.468   6.800
  560   1HZ   LYS  86          HZ1       LYS  86  -6.590 -14.246   7.950
  561   2HZ   LYS  86          HZ2       LYS  86  -5.446 -15.487   7.827
  562   3HZ   LYS  86          HZ3       LYS  86  -6.798 -15.480   6.810
  563    H    ASP  87           HN       ASP  87  -5.549 -10.135   0.088
  564    HA   ASP  87           HA       ASP  87  -4.251 -12.714  -0.496
  565   1HB   ASP  87          HB2       ASP  87  -6.527 -12.462  -1.449
  566   2HB   ASP  87          HB1       ASP  87  -5.966 -11.059  -2.350
  567    H    TYR  88           HN       TYR  88  -4.601  -9.630  -2.259
  568    HA   TYR  88           HA       TYR  88  -1.962  -9.862  -3.340
  569   1HB   TYR  88          HB2       TYR  88  -4.128  -7.790  -3.515
  570   2HB   TYR  88          HB1       TYR  88  -2.514  -7.451  -4.133
  571    HD1  TYR  88           HD1      TYR  88  -2.238  -7.774  -6.393
  572    HD2  TYR  88           HD2      TYR  88  -4.983 -10.260  -4.301
  573    HE1  TYR  88           HE1      TYR  88  -2.795  -8.919  -8.497
  574    HE2  TYR  88           HE2      TYR  88  -5.551 -11.411  -6.399
  575    HH   TYR  88           HH       TYR  88  -3.715 -11.080  -9.230
  576    H    VAL  89           HN       VAL  89  -0.190  -8.513  -3.000
  577    HA   VAL  89           HA       VAL  89  -0.249  -6.763  -0.666
  578    HB   VAL  89           HB       VAL  89   0.449  -8.939   0.208
  579   1HG1  VAL  89          HG11      VAL  89   1.358  -9.846  -1.888
  580   2HG1  VAL  89          HG12      VAL  89   2.481 -10.024  -0.540
  581   3HG1  VAL  89          HG13      VAL  89   2.741  -8.761  -1.743
  582   1HG2  VAL  89          HG21      VAL  89   2.369  -6.661   0.134
  583   2HG2  VAL  89          HG22      VAL  89   2.884  -8.174   0.880
  584   3HG2  VAL  89          HG23      VAL  89   1.460  -7.333   1.488
  585    H    VAL  90           HN       VAL  90   0.815  -4.920  -1.051
  586    HA   VAL  90           HA       VAL  90   2.601  -4.807  -3.374
  587    HB   VAL  90           HB       VAL  90   1.340  -2.539  -1.816
  588   1HG1  VAL  90          HG11      VAL  90   3.113  -2.564  -4.257
  589   2HG1  VAL  90          HG12      VAL  90   3.401  -1.760  -2.712
  590   3HG1  VAL  90          HG13      VAL  90   2.129  -1.177  -3.785
  591   1HG2  VAL  90          HG21      VAL  90  -0.143  -4.020  -3.264
  592   2HG2  VAL  90          HG22      VAL  90   0.725  -3.352  -4.643
  593   3HG2  VAL  90          HG23      VAL  90  -0.192  -2.287  -3.577
  594    H    GLN  91           HN       GLN  91   4.700  -4.831  -3.065
  595    HA   GLN  91           HA       GLN  91   5.748  -4.424  -0.404
  596   1HB   GLN  91          HB2       GLN  91   6.565  -6.314  -1.729
  597   2HB   GLN  91          HB1       GLN  91   7.151  -5.204  -2.963
  598   1HG   GLN  91          HG2       GLN  91   8.113  -4.738  -0.224
  599   2HG   GLN  91          HG1       GLN  91   8.691  -6.205  -1.018
  600   1HE2  GLN  91          HE21      GLN  91  10.796  -5.453  -1.145
  601   2HE2  GLN  91          HE22      GLN  91  11.271  -4.201  -2.236
  602    H    VAL  92           HN       VAL  92   6.504  -2.555   0.300
  603    HA   VAL  92           HA       VAL  92   7.166  -0.480  -1.664
  604    HB   VAL  92           HB       VAL  92   6.719   1.156   0.011
  605   1HG1  VAL  92          HG11      VAL  92   4.447  -0.440   0.827
  606   2HG1  VAL  92          HG12      VAL  92   4.777  -0.603  -0.902
  607   3HG1  VAL  92          HG13      VAL  92   4.504   0.994  -0.204
  608   1HG2  VAL  92          HG21      VAL  92   6.390  -1.090   1.962
  609   2HG2  VAL  92          HG22      VAL  92   6.158   0.623   2.307
  610   3HG2  VAL  92          HG23      VAL  92   7.761   0.013   1.899
  611    H    ILE  93           HN       ILE  93   8.980   0.963  -1.162
  612    HA   ILE  93           HA       ILE  93  10.968  -0.199   0.651
  613    HB   ILE  93           HB       ILE  93  12.770   0.209  -1.010
  614   1HG1  ILE  93          HG12      ILE  93  10.445   0.506  -2.923
  615   2HG1  ILE  93          HG11      ILE  93  11.592   1.767  -2.484
  616   1HG2  ILE  93          HG21      ILE  93  10.657  -1.794  -1.790
  617   2HG2  ILE  93          HG22      ILE  93  11.933  -2.028  -0.594
  618   3HG2  ILE  93          HG23      ILE  93  12.346  -1.836  -2.298
  619   1HD1  ILE  93          HD11      ILE  93  12.375  -0.798  -3.830
  620   2HD1  ILE  93          HD12      ILE  93  13.369   0.638  -3.585
  621   3HD1  ILE  93          HD13      ILE  93  11.999   0.692  -4.694
  622    H    VAL  94           HN       VAL  94  11.570   1.286   2.037
  623    HA   VAL  94           HA       VAL  94  11.693   4.092   1.189
  624    HB   VAL  94           HB       VAL  94  10.004   3.987   2.848
  625   1HG1  VAL  94          HG11      VAL  94  10.415   1.718   3.621
  626   2HG1  VAL  94          HG12      VAL  94  10.288   2.820   4.992
  627   3HG1  VAL  94          HG13      VAL  94  11.870   2.248   4.465
  628   1HG2  VAL  94          HG21      VAL  94  10.925   5.177   4.750
  629   2HG2  VAL  94          HG22      VAL  94  11.624   5.775   3.247
  630   3HG2  VAL  94          HG23      VAL  94  12.555   4.701   4.291
  631    H    SER  95           HN       SER  95  13.800   4.194   0.577
  632    HA   SER  95           HA       SER  95  15.874   3.276   2.408
  633   1HB   SER  95          HB2       SER  95  16.090   4.499  -0.355
  634   2HB   SER  95          HB1       SER  95  17.435   3.854   0.585
  635    HG   SER  95           HG       SER  95  16.911   2.112  -0.512
  636    H    GLN  96           HN       GLN  96  14.117   5.587   3.023
  637    HA   GLN  96           HA       GLN  96  16.081   7.767   3.054
  638   1HB   GLN  96          HB2       GLN  96  13.101   7.825   3.582
  639   2HB   GLN  96          HB1       GLN  96  14.166   9.224   3.623
  640   1HG   GLN  96          HG2       GLN  96  13.713   7.511   1.192
  641   2HG   GLN  96          HG1       GLN  96  12.842   9.003   1.540
  642   1HE2  GLN  96          HE21      GLN  96  13.605  10.017  -0.304
  643   2HE2  GLN  96          HE22      GLN  96  15.239  10.550  -0.460
  644    HA   PRO  97           HA       PRO  97  16.263   6.023   7.352
  645   1HB   PRO  97          HB2       PRO  97  18.890   6.729   7.697
  646   2HB   PRO  97          HB1       PRO  97  18.365   5.183   7.025
  647   1HG   PRO  97          HG2       PRO  97  19.299   7.647   5.608
  648   2HG   PRO  97          HG1       PRO  97  19.680   5.948   5.271
  649   1HD   PRO  97          HD2       PRO  97  17.872   7.311   3.819
  650   2HD   PRO  97          HD1       PRO  97  17.672   5.584   4.180
  651    H    VAL  98           HN       VAL  98  17.525   9.061   6.038
  652    HA   VAL  98           HA       VAL  98  17.560  10.431   8.535
  653    HB   VAL  98           HB       VAL  98  17.442  11.634   5.766
  654   1HG1  VAL  98          HG11      VAL  98  18.520  13.566   6.824
  655   2HG1  VAL  98          HG12      VAL  98  18.413  12.762   8.390
  656   3HG1  VAL  98          HG13      VAL  98  16.942  13.227   7.536
  657   1HG2  VAL  98          HG21      VAL  98  19.302  10.074   5.934
  658   2HG2  VAL  98          HG22      VAL  98  19.839  10.852   7.423
  659   3HG2  VAL  98          HG23      VAL  98  19.890  11.736   5.898
  660    H    GLN  99           HN       GLN  99  15.151   9.872   6.083
  661    HA   GLN  99           HA       GLN  99  13.357  11.907   7.069
  662   1HB   GLN  99          HB2       GLN  99  13.388  11.320   4.687
  663   2HB   GLN  99          HB1       GLN  99  12.896   9.678   5.081
  664   1HG   GLN  99          HG2       GLN  99  11.022  10.990   4.275
  665   2HG   GLN  99          HG1       GLN  99  10.782  10.505   5.952
  666   1HE2  GLN  99          HE21      GLN  99  11.416  13.150   3.791
  667   2HE2  GLN  99          HE22      GLN  99  11.088  14.417   4.919
  668    H    ASN 100           HN       ASN 100  14.136   8.731   7.959
  669    HA   ASN 100           HA       ASN 100  13.263   7.277   9.471
  670   1HB   ASN 100          HB2       ASN 100  11.886   9.831  10.225
  671   2HB   ASN 100          HB1       ASN 100  11.404   8.325  10.997
  672   1HD2  ASN 100          HD21      ASN 100  14.679   9.053   9.961
  673   2HD2  ASN 100          HD22      ASN 100  15.355   9.147  11.545
  Start of MODEL    8
    1    H    GLY  21           H        GLY  21 -20.111  -0.335   1.626
    2   1HA   GLY  21          HA1       GLY  21 -20.946  -2.467   0.998
    3   2HA   GLY  21          HA2       GLY  21 -20.716  -1.484  -0.438
    4    H    TYR  22           HN       TYR  22 -17.679  -1.968   0.101
    5    HA   TYR  22           HA       TYR  22 -17.608  -4.648  -1.122
    6   1HB   TYR  22          HB2       TYR  22 -15.850  -2.257  -1.705
    7   2HB   TYR  22          HB1       TYR  22 -15.581  -3.873  -2.351
    8    HD1  TYR  22           HD1      TYR  22 -17.036  -4.780  -4.077
    9    HD2  TYR  22           HD2      TYR  22 -17.667  -0.870  -2.522
   10    HE1  TYR  22           HE1      TYR  22 -18.525  -4.275  -5.968
   11    HE2  TYR  22           HE2      TYR  22 -19.159  -0.355  -4.409
   12    HH   TYR  22           HH       TYR  22 -20.366  -2.736  -6.502
   13    H    GLU  23           HN       GLU  23 -15.747  -2.298   0.791
   14    HA   GLU  23           HA       GLU  23 -14.174  -2.561   2.415
   15   1HB   GLU  23          HB2       GLU  23 -15.558  -5.232   2.716
   16   2HB   GLU  23          HB1       GLU  23 -14.378  -4.591   3.852
   17   1HG   GLU  23          HG2       GLU  23 -16.586  -4.212   4.700
   18   2HG   GLU  23          HG1       GLU  23 -15.861  -2.667   4.261
   19    H    CYS  24           HN       CYS  24 -12.199  -2.588   1.522
   20    HA   CYS  24           HA       CYS  24 -11.201  -5.155   0.472
   21   1HB   CYS  24          HB2       CYS  24 -10.211  -2.395  -0.266
   22   2HB   CYS  24          HB1       CYS  24  -9.745  -3.922  -1.006
   23    HG   CYS  24           HG       CYS  24 -11.309  -2.911  -2.927
   24    H    GLN  25           HN       GLN  25  -8.764  -5.346   0.627
   25    HA   GLN  25           HA       GLN  25  -7.454  -3.943   2.764
   26   1HB   GLN  25          HB2       GLN  25  -7.986  -6.899   3.116
   27   2HB   GLN  25          HB1       GLN  25  -7.102  -5.851   4.216
   28   1HG   GLN  25          HG2       GLN  25  -9.183  -4.572   4.602
   29   2HG   GLN  25          HG1       GLN  25 -10.043  -5.732   3.590
   30   1HE2  GLN  25          HE21      GLN  25 -10.400  -5.055   6.411
   31   2HE2  GLN  25          HE22      GLN  25 -10.223  -6.537   7.281
   32    H    LEU  26           HN       LEU  26  -5.379  -3.777   2.202
   33    HA   LEU  26           HA       LEU  26  -4.240  -5.870   0.460
   34   1HB   LEU  26          HB2       LEU  26  -4.669  -3.798  -0.768
   35   2HB   LEU  26          HB1       LEU  26  -3.711  -2.901   0.392
   36    HG   LEU  26           HG       LEU  26  -2.481  -5.126  -1.199
   37   1HD1  LEU  26          HD11      LEU  26  -2.155  -3.844  -3.049
   38   2HD1  LEU  26          HD12      LEU  26  -2.209  -2.333  -2.146
   39   3HD1  LEU  26          HD13      LEU  26  -3.704  -3.180  -2.536
   40   1HD2  LEU  26          HD21      LEU  26  -1.568  -2.832   0.450
   41   2HD2  LEU  26          HD22      LEU  26  -0.548  -3.386  -0.876
   42   3HD2  LEU  26          HD23      LEU  26  -0.998  -4.495   0.415
   43    H    ARG  27           HN       ARG  27  -2.264  -6.693   0.939
   44    HA   ARG  27           HA       ARG  27  -1.240  -6.103   3.581
   45   1HB   ARG  27          HB2       ARG  27  -0.448  -8.140   1.506
   46   2HB   ARG  27          HB1       ARG  27   0.303  -8.015   3.089
   47   1HG   ARG  27          HG2       ARG  27  -1.704  -8.630   4.185
   48   2HG   ARG  27          HG1       ARG  27  -2.641  -8.468   2.699
   49   1HD   ARG  27          HD2       ARG  27  -1.410 -10.341   1.722
   50   2HD   ARG  27          HD1       ARG  27  -0.462 -10.493   3.200
   51    HE   ARG  27           HE       ARG  27  -3.273 -10.671   3.679
   52   1HH1  ARG  27          HH11      ARG  27  -0.470 -12.478   2.652
   53   2HH1  ARG  27          HH12      ARG  27  -1.129 -14.008   3.125
   54   1HH2  ARG  27          HH21      ARG  27  -4.140 -12.681   4.302
   55   2HH2  ARG  27          HH22      ARG  27  -3.211 -14.123   4.060
   56    H    LEU  28           HN       LEU  28   0.457  -4.867   4.068
   57    HA   LEU  28           HA       LEU  28   2.141  -3.816   1.884
   58   1HB   LEU  28          HB2       LEU  28   1.360  -2.842   4.599
   59   2HB   LEU  28          HB1       LEU  28   2.882  -2.309   3.929
   60    HG   LEU  28           HG       LEU  28   0.832  -0.812   3.621
   61   1HD1  LEU  28          HD11      LEU  28   1.634  -0.082   1.432
   62   2HD1  LEU  28          HD12      LEU  28   2.546  -1.584   1.276
   63   3HD1  LEU  28          HD13      LEU  28   2.957  -0.430   2.546
   64   1HD2  LEU  28          HD21      LEU  28  -0.666  -2.625   2.847
   65   2HD2  LEU  28          HD22      LEU  28   0.311  -2.755   1.383
   66   3HD2  LEU  28          HD23      LEU  28  -0.571  -1.268   1.727
   67    H    ARG  29           HN       ARG  29   3.888  -5.220   1.651
   68    HA   ARG  29           HA       ARG  29   5.170  -6.241   4.080
   69   1HB   ARG  29          HB2       ARG  29   4.862  -7.759   2.177
   70   2HB   ARG  29          HB1       ARG  29   5.855  -6.715   1.170
   71   1HG   ARG  29          HG2       ARG  29   6.954  -7.869   3.699
   72   2HG   ARG  29          HG1       ARG  29   6.885  -8.840   2.228
   73   1HD   ARG  29          HD2       ARG  29   8.116  -6.969   1.074
   74   2HD   ARG  29          HD1       ARG  29   8.358  -6.250   2.664
   75    HE   ARG  29           HE       ARG  29   9.273  -8.807   2.925
   76   1HH1  ARG  29          HH11      ARG  29  10.001  -6.141   0.792
   77   2HH1  ARG  29          HH12      ARG  29  11.654  -6.606   0.573
   78   1HH2  ARG  29          HH21      ARG  29  11.447  -9.420   2.634
   79   2HH2  ARG  29          HH22      ARG  29  12.475  -8.466   1.616
   80    H    LEU  30           HN       LEU  30   6.319  -4.709   5.101
   81    HA   LEU  30           HA       LEU  30   7.722  -2.702   3.592
   82   1HB   LEU  30          HB2       LEU  30   7.213  -3.175   6.449
   83   2HB   LEU  30          HB1       LEU  30   8.436  -2.041   5.995
   84    HG   LEU  30           HG       LEU  30   6.165  -1.094   6.553
   85   1HD1  LEU  30          HD11      LEU  30   6.219   0.322   4.328
   86   2HD1  LEU  30          HD12      LEU  30   7.780  -0.484   4.167
   87   3HD1  LEU  30          HD13      LEU  30   7.436   0.490   5.592
   88   1HD2  LEU  30          HD21      LEU  30   5.458  -2.636   4.115
   89   2HD2  LEU  30          HD22      LEU  30   4.660  -1.101   4.434
   90   3HD2  LEU  30          HD23      LEU  30   4.556  -2.407   5.612
   91    H    SER  31           HN       SER  31   9.810  -2.369   3.390
   92    HA   SER  31           HA       SER  31  11.514  -4.533   3.092
   93   1HB   SER  31          HB2       SER  31  13.309  -2.863   2.813
   94   2HB   SER  31          HB1       SER  31  11.852  -2.413   1.928
   95    HG   SER  31           HG       SER  31  12.964  -0.751   3.287
   96    H    THR  32           HN       THR  32  10.865  -2.628   5.921
   97    HA   THR  32           HA       THR  32  13.241  -3.530   7.309
   98    HB   THR  32           HB       THR  32  12.340  -1.321   7.848
   99    HG1  THR  32           HG1      THR  32  12.660  -1.556   9.987
  100   1HG2  THR  32          HG21      THR  32  10.208  -1.120   9.080
  101   2HG2  THR  32          HG22      THR  32   9.904  -2.834   8.796
  102   3HG2  THR  32          HG23      THR  32   9.980  -1.715   7.436
  103    H    GLY  33           HN       GLY  33  10.416  -4.961   6.433
  104   1HA   GLY  33          HA2       GLY  33   9.852  -7.187   7.003
  105   2HA   GLY  33          HA1       GLY  33  10.669  -6.966   8.556
  106    H    LYS  34           HN       LYS  34   8.354  -4.844   6.973
  107    HA   LYS  34           HA       LYS  34   6.549  -5.280   9.228
  108   1HB   LYS  34          HB2       LYS  34   7.205  -3.182   9.750
  109   2HB   LYS  34          HB1       LYS  34   7.700  -2.814   8.115
  110   1HG   LYS  34          HG2       LYS  34   5.995  -1.337   8.475
  111   2HG   LYS  34          HG1       LYS  34   5.155  -2.642   7.651
  112   1HD   LYS  34          HD2       LYS  34   5.307  -2.454  10.645
  113   2HD   LYS  34          HD1       LYS  34   4.021  -1.689   9.708
  114   1HE   LYS  34          HE2       LYS  34   3.360  -3.819   8.805
  115   2HE   LYS  34          HE1       LYS  34   4.704  -4.616   9.613
  116   1HZ   LYS  34          HZ1       LYS  34   3.733  -3.991  11.748
  117   2HZ   LYS  34          HZ2       LYS  34   2.666  -4.941  10.844
  118   3HZ   LYS  34          HZ3       LYS  34   2.424  -3.270  10.956
  119    H    ASP  35           HN       ASP  35   5.295  -6.761   8.246
  120    HA   ASP  35           HA       ASP  35   3.873  -5.972   5.803
  121   1HB   ASP  35          HB2       ASP  35   3.268  -8.361   5.622
  122   2HB   ASP  35          HB1       ASP  35   5.018  -8.125   5.671
  123    H    LEU  36           HN       LEU  36   2.148  -4.823   6.381
  124    HA   LEU  36           HA       LEU  36   0.207  -6.068   8.176
  125   1HB   LEU  36          HB2       LEU  36   1.510  -4.284   9.382
  126   2HB   LEU  36          HB1       LEU  36   0.864  -3.123   8.242
  127    HG   LEU  36           HG       LEU  36  -0.885  -4.820  10.017
  128   1HD1  LEU  36          HD11      LEU  36   0.512  -3.488  11.457
  129   2HD1  LEU  36          HD12      LEU  36  -1.111  -2.797  11.419
  130   3HD1  LEU  36          HD13      LEU  36   0.189  -2.045  10.495
  131   1HD2  LEU  36          HD21      LEU  36  -1.340  -2.437   8.247
  132   2HD2  LEU  36          HD22      LEU  36  -2.455  -2.866   9.543
  133   3HD2  LEU  36          HD23      LEU  36  -2.159  -3.998   8.226
  134    H    LYS  37           HN       LYS  37  -1.663  -6.245   7.187
  135    HA   LYS  37           HA       LYS  37  -2.091  -4.900   4.683
  136   1HB   LYS  37          HB2       LYS  37  -2.744  -7.139   4.657
  137   2HB   LYS  37          HB1       LYS  37  -3.529  -7.022   6.219
  138   1HG   LYS  37          HG2       LYS  37  -5.331  -5.723   5.240
  139   2HG   LYS  37          HG1       LYS  37  -4.516  -5.744   3.675
  140   1HD   LYS  37          HD2       LYS  37  -6.022  -7.465   3.415
  141   2HD   LYS  37          HD1       LYS  37  -4.607  -8.340   4.002
  142   1HE   LYS  37          HE2       LYS  37  -6.809  -7.342   5.794
  143   2HE   LYS  37          HE1       LYS  37  -6.789  -8.956   5.091
  144   1HZ   LYS  37          HZ1       LYS  37  -4.473  -9.095   6.170
  145   2HZ   LYS  37          HZ2       LYS  37  -5.838  -9.270   7.152
  146   3HZ   LYS  37          HZ3       LYS  37  -5.001  -7.802   7.127
  147    H    LEU  38           HN       LEU  38  -2.833  -2.921   4.617
  148    HA   LEU  38           HA       LEU  38  -4.399  -1.827   6.791
  149   1HB   LEU  38          HB2       LEU  38  -2.848  -0.277   6.024
  150   2HB   LEU  38          HB1       LEU  38  -3.081  -0.726   4.344
  151    HG   LEU  38           HG       LEU  38  -5.355   0.376   4.473
  152   1HD1  LEU  38          HD11      LEU  38  -4.230   1.478   7.046
  153   2HD1  LEU  38          HD12      LEU  38  -5.570   0.341   6.917
  154   3HD1  LEU  38          HD13      LEU  38  -5.733   1.971   6.266
  155   1HD2  LEU  38          HD21      LEU  38  -3.014   2.187   5.021
  156   2HD2  LEU  38          HD22      LEU  38  -4.474   2.567   4.109
  157   3HD2  LEU  38          HD23      LEU  38  -3.315   1.397   3.475
  158    H    VAL  39           HN       VAL  39  -6.524  -1.343   6.761
  159    HA   VAL  39           HA       VAL  39  -8.196  -2.614   4.837
  160    HB   VAL  39           HB       VAL  39  -8.882  -2.366   7.188
  161   1HG1  VAL  39          HG11      VAL  39  -7.920  -0.162   7.619
  162   2HG1  VAL  39          HG12      VAL  39  -9.630  -0.209   8.048
  163   3HG1  VAL  39          HG13      VAL  39  -9.118   0.574   6.553
  164   1HG2  VAL  39          HG21      VAL  39 -11.194  -1.657   6.781
  165   2HG2  VAL  39          HG22      VAL  39 -10.592  -2.693   5.486
  166   3HG2  VAL  39          HG23      VAL  39 -10.701  -0.950   5.242
  167    H    VAL  40           HN       VAL  40  -9.054  -1.815   3.018
  168    HA   VAL  40           HA       VAL  40  -9.193   1.073   2.624
  169    HB   VAL  40           HB       VAL  40  -8.176   0.898   0.379
  170   1HG1  VAL  40          HG11      VAL  40  -6.390  -0.023   2.626
  171   2HG1  VAL  40          HG12      VAL  40  -6.822   1.647   2.259
  172   3HG1  VAL  40          HG13      VAL  40  -5.849   0.718   1.120
  173   1HG2  VAL  40          HG21      VAL  40  -6.829  -1.104  -0.158
  174   2HG2  VAL  40          HG22      VAL  40  -8.562  -1.422  -0.095
  175   3HG2  VAL  40          HG23      VAL  40  -7.527  -1.910   1.248
  176    H    ARG  41           HN       ARG  41 -10.393   1.586   0.557
  177    HA   ARG  41           HA       ARG  41 -12.147  -0.514  -0.396
  178   1HB   ARG  41          HB2       ARG  41 -13.184   0.389   1.691
  179   2HB   ARG  41          HB1       ARG  41 -13.276   1.957   0.911
  180   1HG   ARG  41          HG2       ARG  41 -14.576  -0.496  -0.238
  181   2HG   ARG  41          HG1       ARG  41 -15.384   0.559   0.922
  182   1HD   ARG  41          HD2       ARG  41 -14.873   2.463  -0.679
  183   2HD   ARG  41          HD1       ARG  41 -14.435   1.222  -1.854
  184    HE   ARG  41           HE       ARG  41 -16.963   0.600  -0.866
  185   1HH1  ARG  41          HH11      ARG  41 -15.433   3.103  -2.756
  186   2HH1  ARG  41          HH12      ARG  41 -16.866   3.475  -3.653
  187   1HH2  ARG  41          HH21      ARG  41 -18.851   1.089  -2.047
  188   2HH2  ARG  41          HH22      ARG  41 -18.805   2.333  -3.251
  189    H    SER  42           HN       SER  42 -11.496  -0.234  -2.443
  190    HA   SER  42           HA       SER  42 -10.951   0.773  -4.429
  191   1HB   SER  42          HB2       SER  42 -13.809   1.658  -4.033
  192   2HB   SER  42          HB1       SER  42 -12.983   1.480  -5.581
  193    HG   SER  42           HG       SER  42 -14.313  -0.345  -4.899
  194    H    THR  43           HN       THR  43 -12.674   3.263  -2.491
  195    HA   THR  43           HA       THR  43 -11.635   5.415  -4.022
  196    HB   THR  43           HB       THR  43 -12.715   5.479  -1.196
  197    HG1  THR  43           HG1      THR  43 -14.125   4.635  -2.953
  198   1HG2  THR  43          HG21      THR  43 -13.201   7.836  -1.687
  199   2HG2  THR  43          HG22      THR  43 -12.427   7.666  -3.262
  200   3HG2  THR  43          HG23      THR  43 -11.473   7.499  -1.790
  201    H    ASP  44           HN       ASP  44 -10.356   3.450  -1.533
  202    HA   ASP  44           HA       ASP  44  -8.433   5.333  -0.547
  203   1HB   ASP  44          HB2       ASP  44  -8.997   2.427  -0.130
  204   2HB   ASP  44          HB1       ASP  44  -7.450   3.088   0.400
  205    H    THR  45           HN       THR  45  -7.775   2.132  -1.965
  206    HA   THR  45           HA       THR  45  -6.156   1.395  -3.404
  207    HB   THR  45           HB       THR  45  -5.735   2.621  -5.367
  208    HG1  THR  45           HG1      THR  45  -4.985   4.573  -4.706
  209   1HG2  THR  45          HG21      THR  45  -8.239   2.165  -4.637
  210   2HG2  THR  45          HG22      THR  45  -7.859   3.012  -6.135
  211   3HG2  THR  45          HG23      THR  45  -8.326   3.924  -4.699
  212    H    VAL  46           HN       VAL  46  -3.898   1.529  -3.899
  213    HA   VAL  46           HA       VAL  46  -2.123   1.743  -2.023
  214    HB   VAL  46           HB       VAL  46  -1.862   2.308  -4.918
  215   1HG1  VAL  46          HG11      VAL  46  -0.343   3.965  -4.105
  216   2HG1  VAL  46          HG12      VAL  46   0.601   2.583  -4.661
  217   3HG1  VAL  46          HG13      VAL  46   0.341   2.838  -2.933
  218   1HG2  VAL  46          HG21      VAL  46  -0.372   0.367  -4.777
  219   2HG2  VAL  46          HG22      VAL  46  -1.927   0.024  -4.028
  220   3HG2  VAL  46          HG23      VAL  46  -0.518   0.360  -3.019
  221    H    PHE  47           HN       PHE  47  -3.364   4.655  -3.601
  222    HA   PHE  47           HA       PHE  47  -1.515   6.480  -2.462
  223   1HB   PHE  47          HB2       PHE  47  -2.946   7.110  -4.342
  224   2HB   PHE  47          HB1       PHE  47  -4.379   6.922  -3.342
  225    HD1  PHE  47           HD1      PHE  47  -1.417   8.986  -3.996
  226    HD2  PHE  47           HD2      PHE  47  -5.025   8.605  -1.774
  227    HE1  PHE  47           HE1      PHE  47  -1.246  11.347  -3.323
  228    HE2  PHE  47           HE2      PHE  47  -4.862  10.964  -1.096
  229    HZ   PHE  47           HZ       PHE  47  -2.971  12.338  -1.871
  230    H    HIS  48           HN       HIS  48  -4.958   6.154  -1.554
  231    HA   HIS  48           HA       HIS  48  -4.607   7.291   0.979
  232   1HB   HIS  48          HB2       HIS  48  -6.637   5.269   0.049
  233   2HB   HIS  48          HB1       HIS  48  -6.715   6.134   1.583
  234    HD1  HIS  48           HD1      HIS  48  -7.158   6.637  -2.103
  235    HD2  HIS  48           HD2      HIS  48  -7.556   8.789   1.429
  236    HE1  HIS  48           HE1      HIS  48  -8.383   8.740  -2.733
  237    HE2  HIS  48           HE2      HIS  48  -8.686   9.989  -0.565
  238    H    MET  49           HN       MET  49  -4.477   3.993  -0.194
  239    HA   MET  49           HA       MET  49  -4.068   2.491   2.029
  240   1HB   MET  49          HB2       MET  49  -3.939   1.803  -0.453
  241   2HB   MET  49          HB1       MET  49  -2.257   2.295  -0.364
  242   1HG   MET  49          HG2       MET  49  -2.134   0.670   1.641
  243   2HG   MET  49          HG1       MET  49  -3.610  -0.007   0.952
  244   1HE   MET  49          HE1       MET  49   0.153   0.757   0.452
  245   2HE   MET  49          HE2       MET  49  -0.499   1.588  -0.959
  246   3HE   MET  49          HE3       MET  49   0.483   0.138  -1.166
  247    H    LYS  50           HN       LYS  50  -1.766   4.428   0.256
  248    HA   LYS  50           HA       LYS  50   0.434   4.060   2.012
  249   1HB   LYS  50          HB2       LYS  50   1.046   4.644  -0.172
  250   2HB   LYS  50          HB1       LYS  50  -0.172   5.902  -0.282
  251   1HG   LYS  50          HG2       LYS  50   1.987   6.261   1.716
  252   2HG   LYS  50          HG1       LYS  50   2.406   6.437   0.011
  253   1HD   LYS  50          HD2       LYS  50   0.140   7.901   1.361
  254   2HD   LYS  50          HD1       LYS  50   1.755   8.568   1.139
  255   1HE   LYS  50          HE2       LYS  50   1.501   8.257  -1.304
  256   2HE   LYS  50          HE1       LYS  50  -0.149   7.701  -1.033
  257   1HZ   LYS  50          HZ1       LYS  50  -0.056  10.046  -1.653
  258   2HZ   LYS  50          HZ2       LYS  50   0.892  10.383  -0.293
  259   3HZ   LYS  50          HZ3       LYS  50  -0.700   9.846  -0.101
  260    H    ARG  51           HN       ARG  51  -2.171   6.388   1.674
  261    HA   ARG  51           HA       ARG  51  -1.264   8.368   3.370
  262   1HB   ARG  51          HB2       ARG  51  -4.062   7.440   2.786
  263   2HB   ARG  51          HB1       ARG  51  -3.722   8.824   3.810
  264   1HG   ARG  51          HG2       ARG  51  -2.832   8.558   0.948
  265   2HG   ARG  51          HG1       ARG  51  -4.266   9.435   1.484
  266   1HD   ARG  51          HD2       ARG  51  -1.421  10.032   2.293
  267   2HD   ARG  51          HD1       ARG  51  -2.370  10.941   1.117
  268    HE   ARG  51           HE       ARG  51  -3.761  10.846   3.558
  269   1HH1  ARG  51          HH11      ARG  51  -0.923  12.301   2.142
  270   2HH1  ARG  51          HH12      ARG  51  -0.962  13.686   3.181
  271   1HH2  ARG  51          HH21      ARG  51  -3.813  12.664   4.926
  272   2HH2  ARG  51          HH22      ARG  51  -2.602  13.891   4.763
  273    H    ARG  52           HN       ARG  52  -3.674   5.904   4.212
  274    HA   ARG  52           HA       ARG  52  -3.441   6.202   6.982
  275   1HB   ARG  52          HB2       ARG  52  -5.114   4.810   5.355
  276   2HB   ARG  52          HB1       ARG  52  -4.131   3.505   6.002
  277   1HG   ARG  52          HG2       ARG  52  -5.687   5.511   7.618
  278   2HG   ARG  52          HG1       ARG  52  -6.136   3.830   7.327
  279   1HD   ARG  52          HD2       ARG  52  -4.051   3.120   8.452
  280   2HD   ARG  52          HD1       ARG  52  -3.702   4.810   8.812
  281    HE   ARG  52           HE       ARG  52  -6.210   4.360   9.827
  282   1HH1  ARG  52          HH11      ARG  52  -3.036   2.992  10.306
  283   2HH1  ARG  52          HH12      ARG  52  -3.338   2.549  11.952
  284   1HH2  ARG  52          HH21      ARG  52  -6.610   3.780  11.991
  285   2HH2  ARG  52          HH22      ARG  52  -5.369   2.996  12.910
  286    H    LEU  53           HN       LEU  53  -1.440   4.567   4.660
  287    HA   LEU  53           HA       LEU  53  -0.185   2.698   6.345
  288   1HB   LEU  53          HB2       LEU  53   0.209   3.761   3.725
  289   2HB   LEU  53          HB1       LEU  53   1.752   3.731   4.551
  290    HG   LEU  53           HG       LEU  53   1.269   1.690   3.202
  291   1HD1  LEU  53          HD11      LEU  53   2.850   1.671   5.087
  292   2HD1  LEU  53          HD12      LEU  53   2.043   0.119   4.872
  293   3HD1  LEU  53          HD13      LEU  53   1.535   1.205   6.166
  294   1HD2  LEU  53          HD21      LEU  53  -0.331   0.146   4.771
  295   2HD2  LEU  53          HD22      LEU  53  -0.859   0.986   3.314
  296   3HD2  LEU  53          HD23      LEU  53  -1.125   1.715   4.896
  297    H    HIS  54           HN       HIS  54   0.983   5.940   5.389
  298    HA   HIS  54           HA       HIS  54   3.100   6.176   7.119
  299   1HB   HIS  54          HB2       HIS  54   2.548   7.860   5.414
  300   2HB   HIS  54          HB1       HIS  54   1.124   8.334   6.330
  301    HD1  HIS  54           HD1      HIS  54   1.648  10.617   7.147
  302    HD2  HIS  54           HD2      HIS  54   4.826   7.998   7.696
  303    HE1  HIS  54           HE1      HIS  54   3.375  11.916   8.433
  304    HE2  HIS  54           HE2      HIS  54   5.266  10.293   8.803
  305    H    ALA  55           HN       ALA  55  -0.337   6.715   7.710
  306    HA   ALA  55           HA       ALA  55   0.035   7.562  10.428
  307   1HB   ALA  55          HB1       ALA  55  -1.905   8.262   9.106
  308   2HB   ALA  55          HB2       ALA  55  -2.390   7.443  10.591
  309   3HB   ALA  55          HB3       ALA  55  -2.466   6.590   9.049
  310    H    ALA  56           HN       ALA  56  -0.355   4.485   8.833
  311    HA   ALA  56           HA       ALA  56  -1.113   3.045  11.196
  312   1HB   ALA  56          HB1       ALA  56  -1.766   2.327   8.928
  313   2HB   ALA  56          HB2       ALA  56  -0.929   1.066   9.832
  314   3HB   ALA  56          HB3       ALA  56  -0.075   1.968   8.580
  315    H    GLU  57           HN       GLU  57   1.787   2.666   9.130
  316    HA   GLU  57           HA       GLU  57   3.210   1.594  11.428
  317   1HB   GLU  57          HB2       GLU  57   5.051   1.234   9.687
  318   2HB   GLU  57          HB1       GLU  57   3.583   0.281   9.537
  319   1HG   GLU  57          HG2       GLU  57   2.784   1.709   7.770
  320   2HG   GLU  57          HG1       GLU  57   4.163   2.785   7.974
  321    H    GLY  58           HN       GLY  58   3.594   4.294   9.116
  322   1HA   GLY  58          HA2       GLY  58   4.273   6.384  10.416
  323   2HA   GLY  58          HA1       GLY  58   5.631   5.399  10.948
  324    H    VAL  59           HN       VAL  59   5.168   4.408   7.865
  325    HA   VAL  59           HA       VAL  59   7.280   6.132   6.900
  326    HB   VAL  59           HB       VAL  59   5.954   3.745   5.599
  327   1HG1  VAL  59          HG11      VAL  59   7.598   3.799   3.949
  328   2HG1  VAL  59          HG12      VAL  59   8.622   4.895   4.874
  329   3HG1  VAL  59          HG13      VAL  59   7.138   5.490   4.134
  330   1HG2  VAL  59          HG21      VAL  59   8.591   3.955   7.046
  331   2HG2  VAL  59          HG22      VAL  59   7.930   2.509   6.278
  332   3HG2  VAL  59          HG23      VAL  59   7.130   3.203   7.689
  333    H    GLU  60           HN       GLU  60   6.624   8.045   6.172
  334    HA   GLU  60           HA       GLU  60   4.108   8.599   5.011
  335   1HB   GLU  60          HB2       GLU  60   5.104  10.800   4.461
  336   2HB   GLU  60          HB1       GLU  60   5.370  10.340   6.136
  337   1HG   GLU  60          HG2       GLU  60   7.644   9.656   5.598
  338   2HG   GLU  60          HG1       GLU  60   7.378  10.086   3.908
  339    HA   PRO  61           HA       PRO  61   4.206   7.724   0.706
  340   1HB   PRO  61          HB2       PRO  61   4.398  10.423  -0.255
  341   2HB   PRO  61          HB1       PRO  61   2.977   9.380  -0.210
  342   1HG   PRO  61          HG2       PRO  61   3.817  11.498   1.665
  343   2HG   PRO  61          HG1       PRO  61   2.198  10.850   1.349
  344   1HD   PRO  61          HD2       PRO  61   3.521  10.322   3.630
  345   2HD   PRO  61          HD1       PRO  61   2.463   9.119   2.867
  346    H    GLY  62           HN       GLY  62   6.393  10.406   1.579
  347   1HA   GLY  62          HA2       GLY  62   8.215   9.996  -0.535
  348   2HA   GLY  62          HA1       GLY  62   8.557  10.856   0.957
  349    H    SER  63           HN       SER  63   7.825   8.374   2.508
  350    HA   SER  63           HA       SER  63  10.435   7.062   2.232
  351   1HB   SER  63          HB2       SER  63   8.478   6.918   4.536
  352   2HB   SER  63          HB1       SER  63  10.142   6.344   4.523
  353    HG   SER  63           HG       SER  63   9.315   9.044   4.237
  354    H    GLN  64           HN       GLN  64   7.008   6.552   2.094
  355    HA   GLN  64           HA       GLN  64   7.376   3.676   1.894
  356   1HB   GLN  64          HB2       GLN  64   5.291   3.491   2.689
  357   2HB   GLN  64          HB1       GLN  64   5.464   5.172   3.122
  358   1HG   GLN  64          HG2       GLN  64   3.395   5.076   2.118
  359   2HG   GLN  64          HG1       GLN  64   4.438   5.673   0.829
  360   1HE2  GLN  64          HE21      GLN  64   2.536   3.027   2.001
  361   2HE2  GLN  64          HE22      GLN  64   2.539   2.100   0.544
  362    H    ARG  65           HN       ARG  65   8.091   3.069  -0.021
  363    HA   ARG  65           HA       ARG  65   6.885   4.251  -2.422
  364   1HB   ARG  65          HB2       ARG  65   9.451   2.693  -2.061
  365   2HB   ARG  65          HB1       ARG  65   8.817   3.201  -3.621
  366   1HG   ARG  65          HG2       ARG  65   8.927   5.556  -2.832
  367   2HG   ARG  65          HG1       ARG  65   9.725   4.977  -1.369
  368   1HD   ARG  65          HD2       ARG  65  10.760   4.408  -4.136
  369   2HD   ARG  65          HD1       ARG  65  11.237   5.830  -3.210
  370    HE   ARG  65           HE       ARG  65  11.668   3.621  -1.588
  371   1HH1  ARG  65          HH11      ARG  65  12.848   4.862  -4.628
  372   2HH1  ARG  65          HH12      ARG  65  14.423   4.164  -4.446
  373   1HH2  ARG  65          HH21      ARG  65  13.742   2.710  -1.342
  374   2HH2  ARG  65          HH22      ARG  65  14.929   2.942  -2.580
  375    H    TRP  66           HN       TRP  66   5.204   3.170  -3.094
  376    HA   TRP  66           HA       TRP  66   4.663   0.452  -2.479
  377   1HB   TRP  66          HB2       TRP  66   2.813   0.846  -4.257
  378   2HB   TRP  66          HB1       TRP  66   2.753   1.753  -2.751
  379    HD1  TRP  66           HD1      TRP  66   4.252   2.349  -6.299
  380    HE1  TRP  66           HE1      TRP  66   3.842   4.806  -6.924
  381    HE3  TRP  66           HE3      TRP  66   1.945   3.906  -2.010
  382    HZ2  TRP  66           HZ2      TRP  66   2.698   7.101  -5.762
  383    HZ3  TRP  66           HZ3      TRP  66   1.226   6.254  -1.851
  384    HH2  TRP  66           HH2      TRP  66   1.596   7.817  -3.688
  385    H    PHE  67           HN       PHE  67   5.005  -1.383  -3.588
  386    HA   PHE  67           HA       PHE  67   5.696  -1.370  -6.395
  387   1HB   PHE  67          HB2       PHE  67   7.719  -2.116  -4.284
  388   2HB   PHE  67          HB1       PHE  67   7.836  -2.670  -5.948
  389    HD1  PHE  67           HD1      PHE  67   7.703  -0.752  -7.752
  390    HD2  PHE  67           HD2      PHE  67   8.820  -0.199  -3.686
  391    HE1  PHE  67           HE1      PHE  67   8.892   1.312  -8.365
  392    HE2  PHE  67           HE2      PHE  67  10.013   1.865  -4.290
  393    HZ   PHE  67           HZ       PHE  67  10.049   2.625  -6.633
  394    H    PHE  68           HN       PHE  68   4.776  -3.099  -7.282
  395    HA   PHE  68           HA       PHE  68   4.568  -5.577  -5.711
  396   1HB   PHE  68          HB2       PHE  68   2.388  -4.436  -5.673
  397   2HB   PHE  68          HB1       PHE  68   2.397  -4.380  -7.433
  398    HD1  PHE  68           HD1      PHE  68   1.944  -6.342  -8.747
  399    HD2  PHE  68           HD2      PHE  68   1.996  -6.523  -4.495
  400    HE1  PHE  68           HE1      PHE  68   0.843  -8.542  -8.830
  401    HE2  PHE  68           HE2      PHE  68   0.897  -8.723  -4.572
  402    HZ   PHE  68           HZ       PHE  68   0.320  -9.735  -6.742
  403    H    SER  69           HN       SER  69   5.124  -7.385  -6.780
  404    HA   SER  69           HA       SER  69   5.858  -8.765  -8.429
  405   1HB   SER  69          HB2       SER  69   3.636  -8.420  -9.397
  406   2HB   SER  69          HB1       SER  69   4.202  -6.959 -10.207
  407    HG   SER  69           HG       SER  69   4.714  -8.262 -11.767
  408    H    GLY  70           HN       GLY  70   7.005  -5.820  -7.973
  409   1HA   GLY  70          HA2       GLY  70   9.238  -5.236  -8.534
  410   2HA   GLY  70          HA1       GLY  70   9.082  -6.178 -10.015
  411    H    ARG  71           HN       ARG  71   6.546  -4.006  -9.085
  412    HA   ARG  71           HA       ARG  71   7.539  -1.926 -10.889
  413   1HB   ARG  71          HB2       ARG  71   4.808  -3.207 -11.124
  414   2HB   ARG  71          HB1       ARG  71   5.355  -1.807 -12.033
  415   1HG   ARG  71          HG2       ARG  71   7.052  -3.147 -13.130
  416   2HG   ARG  71          HG1       ARG  71   6.579  -4.555 -12.175
  417   1HD   ARG  71          HD2       ARG  71   4.352  -4.489 -13.184
  418   2HD   ARG  71          HD1       ARG  71   4.820  -3.078 -14.131
  419    HE   ARG  71           HE       ARG  71   6.636  -5.149 -14.646
  420   1HH1  ARG  71          HH11      ARG  71   3.289  -4.342 -15.209
  421   2HH1  ARG  71          HH12      ARG  71   3.180  -5.268 -16.668
  422   1HH2  ARG  71          HH21      ARG  71   6.497  -6.371 -16.564
  423   2HH2  ARG  71          HH22      ARG  71   5.002  -6.421 -17.437
  424    HA   PRO  72           HA       PRO  72   5.929   0.681  -7.691
  425   1HB   PRO  72          HB2       PRO  72   5.672   3.006  -9.081
  426   2HB   PRO  72          HB1       PRO  72   7.232   2.374  -8.545
  427   1HG   PRO  72          HG2       PRO  72   5.942   2.207 -11.238
  428   2HG   PRO  72          HG1       PRO  72   7.635   2.532 -10.825
  429   1HD   PRO  72          HD2       PRO  72   6.774   0.102 -11.659
  430   2HD   PRO  72          HD1       PRO  72   8.121   0.302 -10.520
  431    H    LEU  73           HN       LEU  73   3.905   0.616  -6.929
  432    HA   LEU  73           HA       LEU  73   1.658   0.274  -8.652
  433   1HB   LEU  73          HB2       LEU  73   1.847   0.863  -5.710
  434   2HB   LEU  73          HB1       LEU  73   0.327   0.614  -6.538
  435   1HD1  LEU  73          HD21      LEU  73   0.878  -1.488  -8.332
  436   2HD1  LEU  73          HD22      LEU  73  -0.341  -1.887  -7.121
  437   3HD1  LEU  73          HD23      LEU  73   1.040  -2.953  -7.364
  438   1HD2  LEU  73          HD11      LEU  73   3.027  -2.571  -5.897
  439   2HD2  LEU  73          HD12      LEU  73   3.522  -0.892  -5.696
  440   3HD2  LEU  73          HD13      LEU  73   3.335  -1.569  -7.313
  441    H    THR  74           HN       THR  74  -0.310   1.630  -8.465
  442    HA   THR  74           HA       THR  74   0.377   4.483  -8.622
  443    HB   THR  74           HB       THR  74  -1.607   4.716 -10.086
  444    HG1  THR  74           HG1      THR  74  -2.947   3.066  -9.781
  445   1HG2  THR  74          HG21      THR  74   0.463   2.706 -10.970
  446   2HG2  THR  74          HG22      THR  74   0.543   4.459 -11.142
  447   3HG2  THR  74          HG23      THR  74  -0.650   3.538 -12.056
  448    H    ASP  75           HN       ASP  75  -1.892   5.730  -8.450
  449    HA   ASP  75           HA       ASP  75  -2.789   5.282  -5.732
  450   1HB   ASP  75          HB2       ASP  75  -3.869   7.516  -6.018
  451   2HB   ASP  75          HB1       ASP  75  -2.130   7.538  -6.295
  452    H    LYS  76           HN       LYS  76  -3.676   3.550  -7.981
  453    HA   LYS  76           HA       LYS  76  -6.495   3.588  -7.368
  454   1HB   LYS  76          HB2       LYS  76  -5.450   4.052 -10.160
  455   2HB   LYS  76          HB1       LYS  76  -7.083   3.478  -9.839
  456   1HG   LYS  76          HG2       LYS  76  -5.907   6.089  -8.902
  457   2HG   LYS  76          HG1       LYS  76  -7.052   5.876 -10.229
  458   1HD   LYS  76          HD2       LYS  76  -7.555   5.239  -7.322
  459   2HD   LYS  76          HD1       LYS  76  -8.190   6.626  -8.205
  460   1HE   LYS  76          HE2       LYS  76  -9.399   5.111  -9.704
  461   2HE   LYS  76          HE1       LYS  76  -8.770   3.728  -8.809
  462   1HZ   LYS  76          HZ1       LYS  76 -10.525   5.850  -7.696
  463   2HZ   LYS  76          HZ2       LYS  76  -9.928   4.518  -6.842
  464   3HZ   LYS  76          HZ3       LYS  76 -11.015   4.285  -8.116
  465    H    MET  77           HN       MET  77  -4.303   1.836  -6.842
  466    HA   MET  77           HA       MET  77  -4.572  -0.400  -8.654
  467   1HB   MET  77          HB2       MET  77  -2.977  -0.014  -6.130
  468   2HB   MET  77          HB1       MET  77  -2.987  -1.514  -7.048
  469   1HG   MET  77          HG2       MET  77  -2.073   1.178  -8.019
  470   2HG   MET  77          HG1       MET  77  -1.054  -0.199  -7.615
  471   1HE   MET  77          HE1       MET  77  -0.555   1.144 -10.353
  472   2HE   MET  77          HE2       MET  77  -0.530  -0.246 -11.436
  473   3HE   MET  77          HE3       MET  77   0.224  -0.353  -9.846
  474    H    LYS  78           HN       LYS  78  -5.735   0.422  -5.402
  475    HA   LYS  78           HA       LYS  78  -6.435  -2.157  -4.637
  476   1HB   LYS  78          HB2       LYS  78  -6.470  -0.337  -3.041
  477   2HB   LYS  78          HB1       LYS  78  -7.825   0.403  -3.886
  478   1HG   LYS  78          HG2       LYS  78  -8.708  -0.695  -1.987
  479   2HG   LYS  78          HG1       LYS  78  -9.139  -1.677  -3.386
  480   1HD   LYS  78          HD2       LYS  78  -6.650  -2.264  -1.827
  481   2HD   LYS  78          HD1       LYS  78  -8.212  -2.833  -1.252
  482   1HE   LYS  78          HE2       LYS  78  -6.871  -3.502  -3.862
  483   2HE   LYS  78          HE1       LYS  78  -7.188  -4.583  -2.512
  484   1HZ   LYS  78          HZ1       LYS  78  -9.596  -4.169  -2.911
  485   2HZ   LYS  78          HZ2       LYS  78  -8.811  -4.998  -4.156
  486   3HZ   LYS  78          HZ3       LYS  78  -9.178  -3.358  -4.335
  487    H    PHE  79           HN       PHE  79  -8.631   0.326  -5.924
  488    HA   PHE  79           HA       PHE  79 -10.749  -1.457  -6.407
  489   1HB   PHE  79          HB2       PHE  79 -11.172   0.915  -6.210
  490   2HB   PHE  79          HB1       PHE  79 -10.148   1.260  -7.595
  491    HD1  PHE  79           HD1      PHE  79 -11.179   1.670  -9.597
  492    HD2  PHE  79           HD2      PHE  79 -13.145  -0.795  -6.739
  493    HE1  PHE  79           HE1      PHE  79 -13.133   1.512 -11.083
  494    HE2  PHE  79           HE2      PHE  79 -15.103  -0.956  -8.219
  495    HZ   PHE  79           HZ       PHE  79 -15.099   0.198 -10.394
  496    H    GLU  80           HN       GLU  80  -7.804  -1.167  -8.049
  497    HA   GLU  80           HA       GLU  80  -8.894  -1.862 -10.657
  498   1HB   GLU  80          HB2       GLU  80  -7.030  -0.294 -10.571
  499   2HB   GLU  80          HB1       GLU  80  -6.042  -1.483  -9.735
  500   1HG   GLU  80          HG2       GLU  80  -6.122  -2.933 -11.701
  501   2HG   GLU  80          HG1       GLU  80  -7.109  -1.736 -12.539
  502    H    GLU  81           HN       GLU  81  -7.370  -3.408  -7.936
  503    HA   GLU  81           HA       GLU  81  -6.898  -5.858  -9.451
  504   1HB   GLU  81          HB2       GLU  81  -5.177  -4.961  -7.829
  505   2HB   GLU  81          HB1       GLU  81  -6.307  -5.332  -6.535
  506   1HG   GLU  81          HG2       GLU  81  -4.612  -7.065  -6.800
  507   2HG   GLU  81          HG1       GLU  81  -6.234  -7.682  -7.100
  508    H    LEU  82           HN       LEU  82  -8.281  -4.982  -6.323
  509    HA   LEU  82           HA       LEU  82 -10.216  -5.526  -5.287
  510   1HB   LEU  82          HB2       LEU  82 -10.973  -6.926  -7.848
  511   2HB   LEU  82          HB1       LEU  82 -12.021  -6.582  -6.504
  512    HG   LEU  82           HG       LEU  82 -12.584  -4.976  -8.090
  513   1HD1  LEU  82          HD11      LEU  82 -10.599  -3.652  -6.251
  514   2HD1  LEU  82          HD12      LEU  82 -12.275  -4.035  -5.859
  515   3HD1  LEU  82          HD13      LEU  82 -11.913  -2.856  -7.119
  516   1HD2  LEU  82          HD21      LEU  82  -9.745  -4.120  -8.450
  517   2HD2  LEU  82          HD22      LEU  82 -11.135  -3.836  -9.497
  518   3HD2  LEU  82          HD23      LEU  82 -10.420  -5.444  -9.395
  519    H    LYS  83           HN       LYS  83  -8.104  -7.824  -6.656
  520    HA   LYS  83           HA       LYS  83  -9.240  -9.989  -5.053
  521   1HB   LYS  83          HB2       LYS  83  -6.972 -10.336  -6.966
  522   2HB   LYS  83          HB1       LYS  83  -8.170 -11.511  -6.459
  523   1HG   LYS  83          HG2       LYS  83  -8.888  -9.121  -8.122
  524   2HG   LYS  83          HG1       LYS  83  -8.307 -10.626  -8.840
  525   1HD   LYS  83          HD2       LYS  83 -10.600 -10.918  -8.902
  526   2HD   LYS  83          HD1       LYS  83 -10.164 -11.721  -7.390
  527   1HE   LYS  83          HE2       LYS  83 -10.706  -9.634  -6.189
  528   2HE   LYS  83          HE1       LYS  83 -11.264  -8.935  -7.704
  529   1HZ   LYS  83          HZ1       LYS  83 -12.398 -11.332  -6.366
  530   2HZ   LYS  83          HZ2       LYS  83 -12.919 -10.707  -7.849
  531   3HZ   LYS  83          HZ3       LYS  83 -13.112  -9.800  -6.434
  532    H    ILE  84           HN       ILE  84  -7.536  -7.657  -4.126
  533    HA   ILE  84           HA       ILE  84  -5.116  -8.984  -3.243
  534    HB   ILE  84           HB       ILE  84  -6.039  -6.189  -2.588
  535   1HG1  ILE  84          HG12      ILE  84  -4.226  -7.162  -4.805
  536   2HG1  ILE  84          HG11      ILE  84  -5.848  -6.508  -5.015
  537   1HG2  ILE  84          HG21      ILE  84  -4.013  -7.671  -1.466
  538   2HG2  ILE  84          HG22      ILE  84  -4.150  -5.916  -1.457
  539   3HG2  ILE  84          HG23      ILE  84  -3.187  -6.715  -2.697
  540   1HD1  ILE  84          HD11      ILE  84  -5.094  -4.356  -4.155
  541   2HD1  ILE  84          HD12      ILE  84  -4.149  -4.861  -5.556
  542   3HD1  ILE  84          HD13      ILE  84  -3.471  -5.012  -3.936
  543    HA   PRO  85           HA       PRO  85  -7.917  -7.987   0.861
  544   1HB   PRO  85          HB2       PRO  85  -9.895  -9.921  -0.285
  545   2HB   PRO  85          HB1       PRO  85 -10.149  -8.613   0.878
  546   1HG   PRO  85          HG2       PRO  85 -10.816  -8.272  -1.663
  547   2HG   PRO  85          HG1       PRO  85 -10.038  -6.961  -0.757
  548   1HD   PRO  85          HD2       PRO  85  -8.910  -8.748  -2.849
  549   2HD   PRO  85          HD1       PRO  85  -8.508  -7.062  -2.469
  550    H    LYS  86           HN       LYS  86  -6.187  -9.074   1.777
  551    HA   LYS  86           HA       LYS  86  -5.136 -10.760   2.883
  552   1HB   LYS  86          HB2       LYS  86  -7.715 -12.245   2.357
  553   2HB   LYS  86          HB1       LYS  86  -6.442 -12.794   3.435
  554   1HG   LYS  86          HG2       LYS  86  -6.784 -10.896   4.880
  555   2HG   LYS  86          HG1       LYS  86  -7.975 -10.225   3.764
  556   1HD   LYS  86          HD2       LYS  86  -9.062 -11.337   5.648
  557   2HD   LYS  86          HD1       LYS  86  -9.416 -12.167   4.132
  558   1HE   LYS  86          HE2       LYS  86  -7.684 -13.821   4.638
  559   2HE   LYS  86          HE1       LYS  86  -7.336 -12.992   6.154
  560   1HZ   LYS  86          HZ1       LYS  86  -8.773 -14.885   6.521
  561   2HZ   LYS  86          HZ2       LYS  86  -9.912 -14.281   5.428
  562   3HZ   LYS  86          HZ3       LYS  86  -9.607 -13.455   6.871
  563    H    ASP  87           HN       ASP  87  -5.448 -10.682  -0.269
  564    HA   ASP  87           HA       ASP  87  -4.316 -13.364  -0.696
  565   1HB   ASP  87          HB2       ASP  87  -6.416 -13.028  -1.900
  566   2HB   ASP  87          HB1       ASP  87  -5.757 -11.589  -2.669
  567    H    TYR  88           HN       TYR  88  -4.098 -10.007  -1.911
  568    HA   TYR  88           HA       TYR  88  -1.361 -10.611  -2.779
  569   1HB   TYR  88          HB2       TYR  88  -3.314  -8.491  -3.626
  570   2HB   TYR  88          HB1       TYR  88  -1.606  -8.403  -4.038
  571    HD1  TYR  88           HD1      TYR  88  -0.642 -10.637  -5.109
  572    HD2  TYR  88           HD2      TYR  88  -4.739  -9.492  -5.149
  573    HE1  TYR  88           HE1      TYR  88  -1.024 -12.095  -7.051
  574    HE2  TYR  88           HE2      TYR  88  -5.132 -10.949  -7.090
  575    HH   TYR  88           HH       TYR  88  -2.897 -13.276  -8.127
  576    H    VAL  89           HN       VAL  89   0.301  -9.066  -2.500
  577    HA   VAL  89           HA       VAL  89  -0.037  -7.194  -0.269
  578    HB   VAL  89           HB       VAL  89   0.833  -9.252   0.704
  579   1HG1  VAL  89          HG11      VAL  89   1.852 -10.115  -1.394
  580   2HG1  VAL  89          HG12      VAL  89   2.894 -10.259   0.022
  581   3HG1  VAL  89          HG13      VAL  89   3.184  -8.982  -1.159
  582   1HG2  VAL  89          HG21      VAL  89   2.541  -6.823   0.563
  583   2HG2  VAL  89          HG22      VAL  89   3.208  -8.256   1.342
  584   3HG2  VAL  89          HG23      VAL  89   1.715  -7.543   1.941
  585    H    VAL  90           HN       VAL  90   0.752  -5.256  -0.821
  586    HA   VAL  90           HA       VAL  90   2.499  -5.022  -3.126
  587    HB   VAL  90           HB       VAL  90   1.324  -2.856  -1.361
  588   1HG1  VAL  90          HG11      VAL  90   2.855  -2.692  -3.967
  589   2HG1  VAL  90          HG12      VAL  90   3.353  -2.065  -2.393
  590   3HG1  VAL  90          HG13      VAL  90   1.978  -1.349  -3.231
  591   1HG2  VAL  90          HG21      VAL  90  -0.309  -4.199  -2.694
  592   2HG2  VAL  90          HG22      VAL  90   0.528  -3.679  -4.157
  593   3HG2  VAL  90          HG23      VAL  90  -0.264  -2.489  -3.122
  594    H    GLN  91           HN       GLN  91   4.621  -4.839  -3.032
  595    HA   GLN  91           HA       GLN  91   5.948  -4.851  -0.505
  596   1HB   GLN  91          HB2       GLN  91   6.631  -5.814  -2.952
  597   2HB   GLN  91          HB1       GLN  91   7.555  -4.316  -2.926
  598   1HG   GLN  91          HG2       GLN  91   8.214  -5.198  -0.522
  599   2HG   GLN  91          HG1       GLN  91   7.834  -6.752  -1.263
  600   1HE2  GLN  91          HE21      GLN  91   9.956  -4.005  -1.294
  601   2HE2  GLN  91          HE22      GLN  91  11.178  -4.702  -2.297
  602    H    VAL  92           HN       VAL  92   7.371  -3.246   0.276
  603    HA   VAL  92           HA       VAL  92   7.022  -0.588  -0.935
  604    HB   VAL  92           HB       VAL  92   6.832   0.325   1.402
  605   1HG1  VAL  92          HG11      VAL  92   4.474  -1.018   1.688
  606   2HG1  VAL  92          HG12      VAL  92   4.803  -1.222  -0.040
  607   3HG1  VAL  92          HG13      VAL  92   4.707   0.399   0.654
  608   1HG2  VAL  92          HG21      VAL  92   6.489  -2.572   2.036
  609   2HG2  VAL  92          HG22      VAL  92   6.156  -1.235   3.122
  610   3HG2  VAL  92          HG23      VAL  92   7.799  -1.516   2.560
  611    H    ILE  93           HN       ILE  93   8.648   0.971  -0.329
  612    HA   ILE  93           HA       ILE  93  11.038  -0.127   0.959
  613    HB   ILE  93           HB       ILE  93  11.356   1.536  -1.508
  614   1HG1  ILE  93          HG12      ILE  93  11.210  -1.486  -1.409
  615   2HG1  ILE  93          HG11      ILE  93  10.024  -0.430  -2.170
  616   1HG2  ILE  93          HG21      ILE  93  13.136  -0.463  -0.127
  617   2HG2  ILE  93          HG22      ILE  93  13.262   1.292  -0.012
  618   3HG2  ILE  93          HG23      ILE  93  13.561   0.486  -1.552
  619   1HD1  ILE  93          HD11      ILE  93  12.903  -0.706  -2.996
  620   2HD1  ILE  93          HD12      ILE  93  11.685   0.303  -3.778
  621   3HD1  ILE  93          HD13      ILE  93  11.522  -1.452  -3.799
  622    H    VAL  94           HN       VAL  94  11.781   1.189   2.426
  623    HA   VAL  94           HA       VAL  94  11.296   4.074   2.195
  624    HB   VAL  94           HB       VAL  94   9.788   3.628   3.911
  625   1HG1  VAL  94          HG11      VAL  94  10.241   1.235   4.075
  626   2HG1  VAL  94          HG12      VAL  94  10.146   1.964   5.679
  627   3HG1  VAL  94          HG13      VAL  94  11.716   1.561   4.984
  628   1HG2  VAL  94          HG21      VAL  94  12.274   3.858   5.590
  629   2HG2  VAL  94          HG22      VAL  94  10.669   4.526   5.893
  630   3HG2  VAL  94          HG23      VAL  94  11.677   5.196   4.609
  631    H    SER  95           HN       SER  95  13.259   4.719   1.586
  632    HA   SER  95           HA       SER  95  15.464   4.232   3.469
  633   1HB   SER  95          HB2       SER  95  15.658   4.273   0.447
  634   2HB   SER  95          HB1       SER  95  17.033   4.192   1.547
  635    HG   SER  95           HG       SER  95  16.072   2.147   0.616
  636    H    GLN  96           HN       GLN  96  13.913   6.385   3.807
  637    HA   GLN  96           HA       GLN  96  14.738   8.657   2.306
  638   1HB   GLN  96          HB2       GLN  96  13.463   9.966   3.864
  639   2HB   GLN  96          HB1       GLN  96  12.565   8.501   3.501
  640   1HG   GLN  96          HG2       GLN  96  12.925   7.601   5.598
  641   2HG   GLN  96          HG1       GLN  96  14.320   8.631   5.914
  642   1HE2  GLN  96          HE21      GLN  96  13.985  10.784   6.524
  643   2HE2  GLN  96          HE22      GLN  96  12.469  11.323   7.152
  644    HA   PRO  97           HA       PRO  97  17.474   9.158   6.454
  645   1HB   PRO  97          HB2       PRO  97  18.681   6.458   6.059
  646   2HB   PRO  97          HB1       PRO  97  18.395   7.356   7.554
  647   1HG   PRO  97          HG2       PRO  97  16.812   5.335   6.889
  648   2HG   PRO  97          HG1       PRO  97  16.136   6.811   7.604
  649   1HD   PRO  97          HD2       PRO  97  16.105   5.889   4.765
  650   2HD   PRO  97          HD1       PRO  97  14.851   6.741   5.685
  651    H    VAL  98           HN       VAL  98  18.058   7.594   3.384
  652    HA   VAL  98           HA       VAL  98  20.641   8.999   3.190
  653    HB   VAL  98           HB       VAL  98  21.263   7.371   1.445
  654   1HG1  VAL  98          HG11      VAL  98  21.613   5.457   2.939
  655   2HG1  VAL  98          HG12      VAL  98  20.446   6.136   4.073
  656   3HG1  VAL  98          HG13      VAL  98  21.954   6.989   3.745
  657   1HG2  VAL  98          HG21      VAL  98  19.919   5.325   1.172
  658   2HG2  VAL  98          HG22      VAL  98  19.057   6.770   0.645
  659   3HG2  VAL  98          HG23      VAL  98  18.668   6.030   2.197
  660    H    GLN  99           HN       GLN  99  17.516   8.520   1.734
  661    HA   GLN  99           HA       GLN  99  18.281  10.180  -0.561
  662   1HB   GLN  99          HB2       GLN  99  15.851   8.460  -0.059
  663   2HB   GLN  99          HB1       GLN  99  16.023   9.515  -1.454
  664   1HG   GLN  99          HG2       GLN  99  18.057   8.264  -2.095
  665   2HG   GLN  99          HG1       GLN  99  17.761   7.163  -0.750
  666   1HE2  GLN  99          HE21      GLN  99  16.038   5.728  -0.854
  667   2HE2  GLN  99          HE22      GLN  99  15.225   5.371  -2.336
  668    H    ASN 100           HN       ASN 100  16.315  11.602  -1.316
  669    HA   ASN 100           HA       ASN 100  15.151  13.524  -0.964
  670   1HB   ASN 100          HB2       ASN 100  14.344  12.082   1.571
  671   2HB   ASN 100          HB1       ASN 100  13.554  13.519   0.929
  672   1HD2  ASN 100          HD21      ASN 100  14.098  10.115   0.512
  673   2HD2  ASN 100          HD22      ASN 100  12.846   9.851  -0.647
  Start of MODEL    9
    1    H    GLY  21           H        GLY  21 -16.777  -0.146   6.422
    2   1HA   GLY  21          HA1       GLY  21 -14.154  -1.298   7.209
    3   2HA   GLY  21          HA2       GLY  21 -15.677  -1.563   8.047
    4    H    TYR  22           HN       TYR  22 -13.745  -3.370   6.580
    5    HA   TYR  22           HA       TYR  22 -13.842  -5.246   5.300
    6   1HB   TYR  22          HB2       TYR  22 -15.748  -5.809   6.722
    7   2HB   TYR  22          HB1       TYR  22 -16.822  -4.886   5.679
    8    HD1  TYR  22           HD1      TYR  22 -17.642  -5.802   3.624
    9    HD2  TYR  22           HD2      TYR  22 -14.778  -7.941   5.930
   10    HE1  TYR  22           HE1      TYR  22 -18.057  -7.809   2.265
   11    HE2  TYR  22           HE2      TYR  22 -15.184  -9.954   4.579
   12    HH   TYR  22           HH       TYR  22 -16.904  -9.888   1.652
   13    H    GLU  23           HN       GLU  23 -12.982  -3.943   3.547
   14    HA   GLU  23           HA       GLU  23 -14.763  -4.007   1.247
   15   1HB   GLU  23          HB2       GLU  23 -14.968  -1.717   2.167
   16   2HB   GLU  23          HB1       GLU  23 -13.233  -1.507   1.987
   17   1HG   GLU  23          HG2       GLU  23 -14.445  -0.445   0.176
   18   2HG   GLU  23          HG1       GLU  23 -13.435  -1.759  -0.420
   19    H    CYS  24           HN       CYS  24 -11.580  -2.501   1.832
   20    HA   CYS  24           HA       CYS  24 -10.406  -4.512   0.029
   21   1HB   CYS  24          HB2       CYS  24  -9.734  -1.563   0.059
   22   2HB   CYS  24          HB1       CYS  24  -9.004  -2.776  -0.978
   23    HG   CYS  24           HG       CYS  24 -11.095  -3.148  -2.621
   24    H    GLN  25           HN       GLN  25  -8.836  -5.614   0.974
   25    HA   GLN  25           HA       GLN  25  -7.255  -4.319   3.095
   26   1HB   GLN  25          HB2       GLN  25  -8.148  -7.206   2.971
   27   2HB   GLN  25          HB1       GLN  25  -7.095  -6.521   4.200
   28   1HG   GLN  25          HG2       GLN  25  -8.899  -5.038   4.918
   29   2HG   GLN  25          HG1       GLN  25  -9.955  -5.736   3.691
   30   1HE2  GLN  25          HE21      GLN  25 -10.248  -5.663   6.593
   31   2HE2  GLN  25          HE22      GLN  25 -10.389  -7.308   7.101
   32    H    LEU  26           HN       LEU  26  -5.380  -3.883   2.122
   33    HA   LEU  26           HA       LEU  26  -4.139  -5.957   0.434
   34   1HB   LEU  26          HB2       LEU  26  -4.590  -3.751  -0.603
   35   2HB   LEU  26          HB1       LEU  26  -3.555  -3.000   0.588
   36    HG   LEU  26           HG       LEU  26  -2.561  -3.358  -1.708
   37   1HD1  LEU  26          HD11      LEU  26  -1.006  -4.732   0.450
   38   2HD1  LEU  26          HD12      LEU  26  -1.313  -2.999   0.475
   39   3HD1  LEU  26          HD13      LEU  26  -0.412  -3.716  -0.857
   40   1HD2  LEU  26          HD21      LEU  26  -2.571  -6.223  -0.775
   41   2HD2  LEU  26          HD22      LEU  26  -1.647  -5.611  -2.144
   42   3HD2  LEU  26          HD23      LEU  26  -3.409  -5.565  -2.178
   43    H    ARG  27           HN       ARG  27  -2.238  -6.887   1.012
   44    HA   ARG  27           HA       ARG  27  -1.198  -6.194   3.629
   45   1HB   ARG  27          HB2       ARG  27  -0.395  -8.397   1.725
   46   2HB   ARG  27          HB1       ARG  27   0.196  -8.210   3.369
   47   1HG   ARG  27          HG2       ARG  27  -2.175  -8.433   4.148
   48   2HG   ARG  27          HG1       ARG  27  -2.607  -8.853   2.490
   49   1HD   ARG  27          HD2       ARG  27  -0.682 -10.328   4.283
   50   2HD   ARG  27          HD1       ARG  27  -2.288 -10.866   3.795
   51    HE   ARG  27           HE       ARG  27  -0.970 -10.497   1.443
   52   1HH1  ARG  27          HH11      ARG  27  -0.327 -12.344   4.333
   53   2HH1  ARG  27          HH12      ARG  27   0.557 -13.579   3.499
   54   1HH2  ARG  27          HH21      ARG  27   0.193 -12.121   0.344
   55   2HH2  ARG  27          HH22      ARG  27   0.853 -13.452   1.235
   56    H    LEU  28           HN       LEU  28   0.497  -4.890   3.945
   57    HA   LEU  28           HA       LEU  28   2.127  -4.173   1.601
   58   1HB   LEU  28          HB2       LEU  28   1.677  -2.810   4.236
   59   2HB   LEU  28          HB1       LEU  28   2.846  -2.263   3.051
   60    HG   LEU  28           HG       LEU  28   0.880  -0.916   2.838
   61   1HD1  LEU  28          HD11      LEU  28   0.402  -1.231   0.510
   62   2HD1  LEU  28          HD12      LEU  28   0.951  -2.902   0.580
   63   3HD1  LEU  28          HD13      LEU  28   2.103  -1.584   0.800
   64   1HD2  LEU  28          HD21      LEU  28  -1.305  -1.794   2.381
   65   2HD2  LEU  28          HD22      LEU  28  -0.694  -2.562   3.845
   66   3HD2  LEU  28          HD23      LEU  28  -0.681  -3.441   2.316
   67    H    ARG  29           HN       ARG  29   3.997  -5.253   1.455
   68    HA   ARG  29           HA       ARG  29   5.354  -5.991   3.944
   69   1HB   ARG  29          HB2       ARG  29   6.768  -7.417   2.518
   70   2HB   ARG  29          HB1       ARG  29   5.068  -7.815   2.389
   71   1HG   ARG  29          HG2       ARG  29   4.922  -6.702   0.260
   72   2HG   ARG  29          HG1       ARG  29   6.588  -6.146   0.403
   73   1HD   ARG  29          HD2       ARG  29   6.330  -8.121  -1.073
   74   2HD   ARG  29          HD1       ARG  29   7.419  -8.390   0.287
   75    HE   ARG  29           HE       ARG  29   4.864  -9.232   1.036
   76   1HH1  ARG  29          HH11      ARG  29   7.381 -10.122  -1.211
   77   2HH1  ARG  29          HH12      ARG  29   6.955 -11.800  -1.216
   78   1HH2  ARG  29          HH21      ARG  29   4.303 -11.438   1.032
   79   2HH2  ARG  29          HH22      ARG  29   5.207 -12.548   0.056
   80    H    LEU  30           HN       LEU  30   6.360  -4.195   4.636
   81    HA   LEU  30           HA       LEU  30   7.918  -2.582   2.784
   82   1HB   LEU  30          HB2       LEU  30   8.062  -1.840   5.573
   83   2HB   LEU  30          HB1       LEU  30   7.611  -0.864   4.194
   84    HG   LEU  30           HG       LEU  30   5.736  -2.741   5.621
   85   1HD1  LEU  30          HD11      LEU  30   6.479  -0.881   7.058
   86   2HD1  LEU  30          HD12      LEU  30   4.764  -0.799   6.656
   87   3HD1  LEU  30          HD13      LEU  30   5.915   0.253   5.831
   88   1HD2  LEU  30          HD21      LEU  30   3.991  -1.689   4.390
   89   2HD2  LEU  30          HD22      LEU  30   5.205  -2.257   3.246
   90   3HD2  LEU  30          HD23      LEU  30   5.119  -0.547   3.668
   91    H    SER  31           HN       SER  31  10.032  -1.688   3.731
   92    HA   SER  31           HA       SER  31  12.232  -2.141   4.126
   93   1HB   SER  31          HB2       SER  31  11.427  -2.005   6.434
   94   2HB   SER  31          HB1       SER  31  11.021  -3.722   6.407
   95    HG   SER  31           HG       SER  31  13.262  -4.137   6.059
   96    H    THR  32           HN       THR  32  10.307  -4.375   2.877
   97    HA   THR  32           HA       THR  32  10.849  -6.134   1.488
   98    HB   THR  32           HB       THR  32  13.482  -6.495   2.916
   99    HG1  THR  32           HG1      THR  32  13.798  -4.499   2.153
  100   1HG2  THR  32          HG21      THR  32  12.873  -8.338   1.496
  101   2HG2  THR  32          HG22      THR  32  14.136  -7.412   0.685
  102   3HG2  THR  32          HG23      THR  32  12.455  -7.244   0.178
  103    H    GLY  33           HN       GLY  33   9.847  -5.998   4.373
  104   1HA   GLY  33          HA2       GLY  33   9.061  -8.657   4.652
  105   2HA   GLY  33          HA1       GLY  33  10.520  -8.465   5.626
  106    H    LYS  34           HN       LYS  34   8.118  -5.988   5.028
  107    HA   LYS  34           HA       LYS  34   7.365  -6.086   7.872
  108   1HB   LYS  34          HB2       LYS  34   8.790  -4.199   7.500
  109   2HB   LYS  34          HB1       LYS  34   7.916  -3.759   6.054
  110   1HG   LYS  34          HG2       LYS  34   7.515  -2.286   7.953
  111   2HG   LYS  34          HG1       LYS  34   6.049  -3.014   7.309
  112   1HD   LYS  34          HD2       LYS  34   7.344  -4.513   9.483
  113   2HD   LYS  34          HD1       LYS  34   6.663  -2.946   9.937
  114   1HE   LYS  34          HE2       LYS  34   4.597  -3.758   8.587
  115   2HE   LYS  34          HE1       LYS  34   5.291  -5.360   8.833
  116   1HZ   LYS  34          HZ1       LYS  34   3.701  -4.821  10.566
  117   2HZ   LYS  34          HZ2       LYS  34   4.586  -3.443  10.988
  118   3HZ   LYS  34          HZ3       LYS  34   5.253  -4.980  11.219
  119    H    ASP  35           HN       ASP  35   5.702  -7.549   6.867
  120    HA   ASP  35           HA       ASP  35   3.713  -6.459   5.160
  121   1HB   ASP  35          HB2       ASP  35   2.509  -8.581   5.645
  122   2HB   ASP  35          HB1       ASP  35   4.165  -8.835   5.084
  123    H    LEU  36           HN       LEU  36   2.265  -5.173   5.702
  124    HA   LEU  36           HA       LEU  36   0.818  -5.402   8.218
  125   1HB   LEU  36          HB2       LEU  36   2.643  -3.652   8.441
  126   2HB   LEU  36          HB1       LEU  36   1.813  -2.739   7.196
  127    HG   LEU  36           HG       LEU  36   1.336  -1.959   9.510
  128   1HD1  LEU  36          HD11      LEU  36  -0.970  -1.588   9.164
  129   2HD1  LEU  36          HD12      LEU  36  -1.140  -3.060   8.210
  130   3HD1  LEU  36          HD13      LEU  36  -0.243  -1.688   7.560
  131   1HD2  LEU  36          HD21      LEU  36  -0.099  -4.597   9.774
  132   2HD2  LEU  36          HD22      LEU  36  -0.093  -3.284  10.951
  133   3HD2  LEU  36          HD23      LEU  36   1.397  -4.159  10.598
  134    H    LYS  37           HN       LYS  37  -1.082  -5.960   7.353
  135    HA   LYS  37           HA       LYS  37  -1.939  -4.900   4.836
  136   1HB   LYS  37          HB2       LYS  37  -3.664  -6.444   4.918
  137   2HB   LYS  37          HB1       LYS  37  -2.362  -7.245   5.772
  138   1HG   LYS  37          HG2       LYS  37  -3.381  -6.587   7.913
  139   2HG   LYS  37          HG1       LYS  37  -4.723  -5.859   7.026
  140   1HD   LYS  37          HD2       LYS  37  -5.306  -8.018   6.083
  141   2HD   LYS  37          HD1       LYS  37  -3.917  -8.763   6.876
  142   1HE   LYS  37          HE2       LYS  37  -6.244  -7.450   8.276
  143   2HE   LYS  37          HE1       LYS  37  -6.013  -9.188   8.084
  144   1HZ   LYS  37          HZ1       LYS  37  -4.203  -7.350   9.559
  145   2HZ   LYS  37          HZ2       LYS  37  -3.967  -9.013   9.367
  146   3HZ   LYS  37          HZ3       LYS  37  -5.286  -8.446  10.258
  147    H    LEU  38           HN       LEU  38  -2.869  -3.043   4.544
  148    HA   LEU  38           HA       LEU  38  -4.317  -1.772   6.760
  149   1HB   LEU  38          HB2       LEU  38  -2.649  -0.294   6.066
  150   2HB   LEU  38          HB1       LEU  38  -2.829  -0.734   4.376
  151    HG   LEU  38           HG       LEU  38  -5.134   0.434   4.539
  152   1HD1  LEU  38          HD11      LEU  38  -3.748   1.691   6.900
  153   2HD1  LEU  38          HD12      LEU  38  -5.138   0.610   6.993
  154   3HD1  LEU  38          HD13      LEU  38  -5.293   2.179   6.203
  155   1HD2  LEU  38          HD21      LEU  38  -2.726   2.211   4.778
  156   2HD2  LEU  38          HD22      LEU  38  -4.183   2.455   3.813
  157   3HD2  LEU  38          HD23      LEU  38  -3.025   1.205   3.362
  158    H    VAL  39           HN       VAL  39  -6.358  -0.833   6.403
  159    HA   VAL  39           HA       VAL  39  -7.930  -2.181   4.362
  160    HB   VAL  39           HB       VAL  39  -9.886  -1.234   5.514
  161   1HG1  VAL  39          HG11      VAL  39  -7.902  -2.547   7.368
  162   2HG1  VAL  39          HG12      VAL  39  -9.001  -3.372   6.260
  163   3HG1  VAL  39          HG13      VAL  39  -9.644  -2.458   7.626
  164   1HG2  VAL  39          HG21      VAL  39  -8.881   0.879   6.235
  165   2HG2  VAL  39          HG22      VAL  39  -7.872   0.006   7.388
  166   3HG2  VAL  39          HG23      VAL  39  -9.625   0.025   7.587
  167    H    VAL  40           HN       VAL  40  -9.255  -1.088   2.854
  168    HA   VAL  40           HA       VAL  40  -9.082   1.772   2.566
  169    HB   VAL  40           HB       VAL  40  -8.142   1.628   0.237
  170   1HG1  VAL  40          HG11      VAL  40  -6.184   0.728   2.332
  171   2HG1  VAL  40          HG12      VAL  40  -6.877   2.349   2.296
  172   3HG1  VAL  40          HG13      VAL  40  -5.892   1.782   0.948
  173   1HG2  VAL  40          HG21      VAL  40  -8.178  -0.521  -0.508
  174   2HG2  VAL  40          HG22      VAL  40  -7.816  -1.194   1.082
  175   3HG2  VAL  40          HG23      VAL  40  -6.530  -0.468   0.119
  176    H    ARG  41           HN       ARG  41 -10.188   2.477   0.495
  177    HA   ARG  41           HA       ARG  41 -12.164   0.562  -0.482
  178   1HB   ARG  41          HB2       ARG  41 -13.194   1.661   1.459
  179   2HB   ARG  41          HB1       ARG  41 -12.879   3.231   0.738
  180   1HG   ARG  41          HG2       ARG  41 -14.488   1.247  -0.789
  181   2HG   ARG  41          HG1       ARG  41 -15.237   2.103   0.559
  182   1HD   ARG  41          HD2       ARG  41 -14.490   4.244  -0.505
  183   2HD   ARG  41          HD1       ARG  41 -13.984   3.300  -1.905
  184    HE   ARG  41           HE       ARG  41 -16.638   2.655  -1.370
  185   1HH1  ARG  41          HH11      ARG  41 -14.774   5.424  -2.388
  186   2HH1  ARG  41          HH12      ARG  41 -16.075   6.123  -3.292
  187   1HH2  ARG  41          HH21      ARG  41 -18.349   3.572  -2.559
  188   2HH2  ARG  41          HH22      ARG  41 -18.105   5.073  -3.390
  189    H    SER  42           HN       SER  42 -12.022   0.630  -2.587
  190    HA   SER  42           HA       SER  42 -11.072   1.450  -4.601
  191   1HB   SER  42          HB2       SER  42 -13.035   2.335  -5.801
  192   2HB   SER  42          HB1       SER  42 -13.437   0.949  -4.788
  193    HG   SER  42           HG       SER  42 -14.835   2.933  -4.717
  194    H    THR  43           HN       THR  43 -12.532   4.195  -2.820
  195    HA   THR  43           HA       THR  43 -11.314   6.145  -4.501
  196    HB   THR  43           HB       THR  43 -13.337   6.687  -3.251
  197    HG1  THR  43           HG1      THR  43 -11.738   8.354  -3.730
  198   1HG2  THR  43          HG21      THR  43 -13.252   7.028  -0.817
  199   2HG2  THR  43          HG22      THR  43 -11.604   6.402  -0.793
  200   3HG2  THR  43          HG23      THR  43 -12.942   5.347  -1.254
  201    H    ASP  44           HN       ASP  44  -9.979   4.086  -2.261
  202    HA   ASP  44           HA       ASP  44  -8.007   5.964  -1.244
  203   1HB   ASP  44          HB2       ASP  44  -8.746   3.127  -0.652
  204   2HB   ASP  44          HB1       ASP  44  -7.161   3.727  -0.166
  205    H    THR  45           HN       THR  45  -7.693   2.680  -2.637
  206    HA   THR  45           HA       THR  45  -6.129   1.755  -4.028
  207    HB   THR  45           HB       THR  45  -5.374   3.048  -5.938
  208    HG1  THR  45           HG1      THR  45  -6.665   5.345  -4.903
  209   1HG2  THR  45          HG21      THR  45  -8.227   3.303  -5.086
  210   2HG2  THR  45          HG22      THR  45  -7.521   2.264  -6.323
  211   3HG2  THR  45          HG23      THR  45  -7.699   3.994  -6.620
  212    H    VAL  46           HN       VAL  46  -3.913   1.522  -4.360
  213    HA   VAL  46           HA       VAL  46  -2.157   1.621  -2.483
  214    HB   VAL  46           HB       VAL  46  -1.807   1.913  -5.392
  215   1HG1  VAL  46          HG11      VAL  46  -0.144   3.508  -4.718
  216   2HG1  VAL  46          HG12      VAL  46   0.658   2.013  -5.202
  217   3HG1  VAL  46          HG13      VAL  46   0.475   2.403  -3.491
  218   1HG2  VAL  46          HG21      VAL  46  -0.351   0.060  -3.522
  219   2HG2  VAL  46          HG22      VAL  46  -0.811  -0.189  -5.208
  220   3HG2  VAL  46          HG23      VAL  46  -2.042  -0.211  -3.951
  221    H    PHE  47           HN       PHE  47  -2.913   4.603  -4.245
  222    HA   PHE  47           HA       PHE  47  -0.804   6.152  -3.142
  223   1HB   PHE  47          HB2       PHE  47  -2.434   6.716  -5.106
  224   2HB   PHE  47          HB1       PHE  47  -3.475   7.339  -3.831
  225    HD1  PHE  47           HD1      PHE  47  -0.383   7.829  -5.694
  226    HD2  PHE  47           HD2      PHE  47  -2.844   9.300  -2.550
  227    HE1  PHE  47           HE1      PHE  47   0.860   9.953  -5.720
  228    HE2  PHE  47           HE2      PHE  47  -1.607  11.427  -2.571
  229    HZ   PHE  47           HZ       PHE  47   0.248  11.754  -4.158
  230    H    HIS  48           HN       HIS  48  -4.276   6.398  -2.339
  231    HA   HIS  48           HA       HIS  48  -3.841   7.605   0.154
  232   1HB   HIS  48          HB2       HIS  48  -6.144   5.882  -0.765
  233   2HB   HIS  48          HB1       HIS  48  -6.142   6.868   0.697
  234    HD1  HIS  48           HD1      HIS  48  -6.264   7.156  -3.047
  235    HD2  HIS  48           HD2      HIS  48  -6.599   9.580   0.310
  236    HE1  HIS  48           HE1      HIS  48  -7.107   9.367  -3.897
  237    HE2  HIS  48           HE2      HIS  48  -7.389  10.789  -1.835
  238    H    MET  49           HN       MET  49  -4.110   4.265  -0.888
  239    HA   MET  49           HA       MET  49  -4.111   2.905   1.489
  240   1HB   MET  49          HB2       MET  49  -3.940   2.081  -1.032
  241   2HB   MET  49          HB1       MET  49  -2.228   2.001  -0.642
  242   1HG   MET  49          HG2       MET  49  -2.826   0.565   1.315
  243   2HG   MET  49          HG1       MET  49  -4.471   0.512   0.688
  244   1HE   MET  49          HE1       MET  49  -0.825   0.091  -0.078
  245   2HE   MET  49          HE2       MET  49  -1.167   0.312  -1.792
  246   3HE   MET  49          HE3       MET  49  -0.713  -1.278  -1.184
  247    H    LYS  50           HN       LYS  50  -1.452   4.290  -0.308
  248    HA   LYS  50           HA       LYS  50   0.577   3.675   1.583
  249   1HB   LYS  50          HB2       LYS  50   0.395   5.042  -0.986
  250   2HB   LYS  50          HB1       LYS  50   1.484   5.856   0.121
  251   1HG   LYS  50          HG2       LYS  50   2.671   4.267  -1.273
  252   2HG   LYS  50          HG1       LYS  50   2.744   3.801   0.426
  253   1HD   LYS  50          HD2       LYS  50   0.982   2.164   0.072
  254   2HD   LYS  50          HD1       LYS  50   0.841   2.659  -1.615
  255   1HE   LYS  50          HE2       LYS  50   3.157   1.962  -2.004
  256   2HE   LYS  50          HE1       LYS  50   3.278   1.452  -0.323
  257   1HZ   LYS  50          HZ1       LYS  50   1.491  -0.147  -0.741
  258   2HZ   LYS  50          HZ2       LYS  50   2.832  -0.431  -1.730
  259   3HZ   LYS  50          HZ3       LYS  50   1.454   0.313  -2.370
  260    H    ARG  51           HN       ARG  51  -1.604   6.359   0.989
  261    HA   ARG  51           HA       ARG  51  -0.493   8.333   2.538
  262   1HB   ARG  51          HB2       ARG  51  -2.572   8.593   1.200
  263   2HB   ARG  51          HB1       ARG  51  -3.437   7.672   2.422
  264   1HG   ARG  51          HG2       ARG  51  -2.841   9.398   4.088
  265   2HG   ARG  51          HG1       ARG  51  -2.103  10.341   2.792
  266   1HD   ARG  51          HD2       ARG  51  -4.338  11.152   3.223
  267   2HD   ARG  51          HD1       ARG  51  -4.274  10.399   1.630
  268    HE   ARG  51           HE       ARG  51  -5.105   8.394   3.265
  269   1HH1  ARG  51          HH11      ARG  51  -6.230  11.637   2.642
  270   2HH1  ARG  51          HH12      ARG  51  -7.886  11.263   2.981
  271   1HH2  ARG  51          HH21      ARG  51  -7.284   7.899   3.712
  272   2HH2  ARG  51          HH22      ARG  51  -8.486   9.141   3.589
  273    H    ARG  52           HN       ARG  52  -2.806   5.850   3.531
  274    HA   ARG  52           HA       ARG  52  -2.584   6.380   6.300
  275   1HB   ARG  52          HB2       ARG  52  -3.674   4.072   4.715
  276   2HB   ARG  52          HB1       ARG  52  -3.614   4.022   6.470
  277   1HG   ARG  52          HG2       ARG  52  -4.948   6.128   6.501
  278   2HG   ARG  52          HG1       ARG  52  -5.121   5.978   4.751
  279   1HD   ARG  52          HD2       ARG  52  -6.219   3.821   5.034
  280   2HD   ARG  52          HD1       ARG  52  -6.008   3.930   6.781
  281    HE   ARG  52           HE       ARG  52  -7.451   6.142   5.648
  282   1HH1  ARG  52          HH11      ARG  52  -7.715   2.907   6.929
  283   2HH1  ARG  52          HH12      ARG  52  -9.382   3.080   7.363
  284   1HH2  ARG  52          HH21      ARG  52  -9.643   6.373   6.220
  285   2HH2  ARG  52          HH22      ARG  52 -10.477   5.048   6.961
  286    H    LEU  53           HN       LEU  53  -0.746   4.416   4.039
  287    HA   LEU  53           HA       LEU  53   0.518   2.673   5.800
  288   1HB   LEU  53          HB2       LEU  53   1.127   3.786   3.176
  289   2HB   LEU  53          HB1       LEU  53   2.564   3.410   4.100
  290    HG   LEU  53           HG       LEU  53   1.832   1.571   2.603
  291   1HD1  LEU  53          HD11      LEU  53   2.069  -0.205   4.245
  292   2HD1  LEU  53          HD12      LEU  53   1.693   0.927   5.545
  293   3HD1  LEU  53          HD13      LEU  53   3.171   1.123   4.603
  294   1HD2  LEU  53          HD21      LEU  53  -0.186   0.285   3.832
  295   2HD2  LEU  53          HD22      LEU  53  -0.412   1.382   2.472
  296   3HD2  LEU  53          HD23      LEU  53  -0.668   1.956   4.119
  297    H    HIS  54           HN       HIS  54   1.443   5.993   4.931
  298    HA   HIS  54           HA       HIS  54   3.630   6.167   6.704
  299   1HB   HIS  54          HB2       HIS  54   3.373   7.786   4.907
  300   2HB   HIS  54          HB1       HIS  54   1.831   8.321   5.560
  301    HD1  HIS  54           HD1      HIS  54   1.907  10.254   7.127
  302    HD2  HIS  54           HD2      HIS  54   5.629   8.468   6.663
  303    HE1  HIS  54           HE1      HIS  54   3.520  11.734   8.362
  304    HE2  HIS  54           HE2      HIS  54   5.759  10.605   8.114
  305    H    ALA  55           HN       ALA  55   0.191   6.846   6.992
  306    HA   ALA  55           HA       ALA  55   0.161   8.068   9.492
  307   1HB   ALA  55          HB1       ALA  55  -1.935   6.234   8.343
  308   2HB   ALA  55          HB2       ALA  55  -1.770   7.953   7.986
  309   3HB   ALA  55          HB3       ALA  55  -2.172   7.426   9.621
  310    H    ALA  56           HN       ALA  56  -0.233   4.567   8.780
  311    HA   ALA  56           HA       ALA  56  -0.102   3.978  11.623
  312   1HB   ALA  56          HB1       ALA  56  -0.639   1.701  10.993
  313   2HB   ALA  56          HB2       ALA  56  -0.437   2.106   9.288
  314   3HB   ALA  56          HB3       ALA  56  -1.747   2.835  10.217
  315    H    GLU  57           HN       GLU  57   1.872   3.439   8.726
  316    HA   GLU  57           HA       GLU  57   3.842   1.957  10.278
  317   1HB   GLU  57          HB2       GLU  57   4.073   2.792   7.391
  318   2HB   GLU  57          HB1       GLU  57   4.940   1.503   8.213
  319   1HG   GLU  57          HG2       GLU  57   2.020   1.566   7.512
  320   2HG   GLU  57          HG1       GLU  57   3.268   0.543   6.805
  321    H    GLY  58           HN       GLY  58   3.995   4.760   8.080
  322   1HA   GLY  58          HA2       GLY  58   4.966   6.818   9.195
  323   2HA   GLY  58          HA1       GLY  58   6.277   5.744   9.676
  324    H    VAL  59           HN       VAL  59   5.185   4.833   6.650
  325    HA   VAL  59           HA       VAL  59   7.500   6.029   5.378
  326    HB   VAL  59           HB       VAL  59   5.475   4.018   4.375
  327   1HG1  VAL  59          HG11      VAL  59   6.893   3.671   2.471
  328   2HG1  VAL  59          HG12      VAL  59   8.070   4.830   3.082
  329   3HG1  VAL  59          HG13      VAL  59   6.481   5.383   2.557
  330   1HG2  VAL  59          HG21      VAL  59   7.291   2.408   4.634
  331   2HG2  VAL  59          HG22      VAL  59   6.908   3.186   6.170
  332   3HG2  VAL  59          HG23      VAL  59   8.336   3.683   5.262
  333    H    GLU  60           HN       GLU  60   7.073   8.141   4.976
  334    HA   GLU  60           HA       GLU  60   4.593   9.136   4.006
  335   1HB   GLU  60          HB2       GLU  60   5.807  11.253   3.735
  336   2HB   GLU  60          HB1       GLU  60   6.141  10.524   5.296
  337   1HG   GLU  60          HG2       GLU  60   8.273   9.687   4.452
  338   2HG   GLU  60          HG1       GLU  60   7.937  10.418   2.882
  339    HA   PRO  61           HA       PRO  61   4.488   8.965  -0.400
  340   1HB   PRO  61          HB2       PRO  61   5.403  11.821  -0.433
  341   2HB   PRO  61          HB1       PRO  61   4.130  11.041  -1.382
  342   1HG   PRO  61          HG2       PRO  61   3.506  12.501   0.748
  343   2HG   PRO  61          HG1       PRO  61   2.645  10.988   0.404
  344   1HD   PRO  61          HD2       PRO  61   4.655  11.585   2.499
  345   2HD   PRO  61          HD1       PRO  61   3.337  10.399   2.508
  346    H    GLY  62           HN       GLY  62   7.256  10.995   0.621
  347   1HA   GLY  62          HA2       GLY  62   8.921  10.432  -1.544
  348   2HA   GLY  62          HA1       GLY  62   9.484  10.884   0.059
  349    H    SER  63           HN       SER  63   8.304   8.596   1.372
  350    HA   SER  63           HA       SER  63  10.290   6.587   0.587
  351   1HB   SER  63          HB2       SER  63   8.696   6.873   3.146
  352   2HB   SER  63          HB1       SER  63   9.926   5.653   2.836
  353    HG   SER  63           HG       SER  63  10.211   8.268   3.555
  354    H    GLN  64           HN       GLN  64   7.067   7.199   0.088
  355    HA   GLN  64           HA       GLN  64   6.062   4.525   0.439
  356   1HB   GLN  64          HB2       GLN  64   4.907   7.046  -0.734
  357   2HB   GLN  64          HB1       GLN  64   4.049   5.513  -0.796
  358   1HG   GLN  64          HG2       GLN  64   3.711   5.453   1.487
  359   2HG   GLN  64          HG1       GLN  64   5.067   6.530   1.810
  360   1HE2  GLN  64          HE21      GLN  64   2.707   7.231  -0.663
  361   2HE2  GLN  64          HE22      GLN  64   1.959   8.555   0.154
  362    H    ARG  65           HN       ARG  65   7.904   3.668  -0.971
  363    HA   ARG  65           HA       ARG  65   7.419   3.980  -3.827
  364   1HB   ARG  65          HB2       ARG  65   9.444   2.316  -2.331
  365   2HB   ARG  65          HB1       ARG  65   9.389   2.511  -4.076
  366   1HG   ARG  65          HG2       ARG  65   9.818   4.898  -3.832
  367   2HG   ARG  65          HG1       ARG  65   9.853   4.716  -2.078
  368   1HD   ARG  65          HD2       ARG  65  12.110   4.786  -3.037
  369   2HD   ARG  65          HD1       ARG  65  11.778   3.250  -2.243
  370    HE   ARG  65           HE       ARG  65  11.842   2.186  -4.297
  371   1HH1  ARG  65          HH11      ARG  65  12.015   5.648  -4.734
  372   2HH1  ARG  65          HH12      ARG  65  12.512   5.537  -6.389
  373   1HH2  ARG  65          HH21      ARG  65  12.490   2.044  -6.472
  374   2HH2  ARG  65          HH22      ARG  65  12.779   3.494  -7.376
  375    H    TRP  66           HN       TRP  66   5.413   3.012  -4.113
  376    HA   TRP  66           HA       TRP  66   4.754   0.428  -3.114
  377   1HB   TRP  66          HB2       TRP  66   3.142   0.901  -5.370
  378   2HB   TRP  66          HB1       TRP  66   2.711   1.139  -3.686
  379    HD1  TRP  66           HD1      TRP  66   2.154   3.554  -2.984
  380    HE1  TRP  66           HE1      TRP  66   2.325   5.867  -4.102
  381    HE3  TRP  66           HE3      TRP  66   4.764   2.237  -7.176
  382    HZ2  TRP  66           HZ2      TRP  66   3.421   6.983  -6.451
  383    HZ3  TRP  66           HZ3      TRP  66   5.334   3.985  -8.809
  384    HH2  TRP  66           HH2      TRP  66   4.675   6.309  -8.453
  385    H    PHE  67           HN       PHE  67   5.186  -1.533  -3.892
  386    HA   PHE  67           HA       PHE  67   5.812  -1.907  -6.710
  387   1HB   PHE  67          HB2       PHE  67   7.794  -2.314  -4.499
  388   2HB   PHE  67          HB1       PHE  67   7.871  -3.303  -5.952
  389    HD1  PHE  67           HD1      PHE  67   8.795  -0.213  -4.457
  390    HD2  PHE  67           HD2      PHE  67   8.010  -2.088  -8.196
  391    HE1  PHE  67           HE1      PHE  67  10.063   1.555  -5.609
  392    HE2  PHE  67           HE2      PHE  67   9.277  -0.324  -9.351
  393    HZ   PHE  67           HZ       PHE  67  10.304   1.501  -8.058
  394    H    PHE  68           HN       PHE  68   4.660  -3.593  -7.345
  395    HA   PHE  68           HA       PHE  68   4.255  -5.827  -5.467
  396   1HB   PHE  68          HB2       PHE  68   2.156  -4.686  -5.928
  397   2HB   PHE  68          HB1       PHE  68   2.437  -4.812  -7.661
  398    HD1  PHE  68           HD1      PHE  68   2.269  -6.985  -8.787
  399    HD2  PHE  68           HD2      PHE  68   1.301  -6.518  -4.671
  400    HE1  PHE  68           HE1      PHE  68   1.078  -9.138  -8.828
  401    HE2  PHE  68           HE2      PHE  68   0.109  -8.671  -4.702
  402    HZ   PHE  68           HZ       PHE  68  -0.003  -9.984  -6.782
  403    H    SER  69           HN       SER  69   5.477  -7.501  -6.021
  404    HA   SER  69           HA       SER  69   6.463  -9.150  -7.232
  405   1HB   SER  69          HB2       SER  69   4.230  -9.519  -8.174
  406   2HB   SER  69          HB1       SER  69   4.530  -8.284  -9.397
  407    HG   SER  69           HG       SER  69   4.907 -10.602  -9.959
  408    H    GLY  70           HN       GLY  70   7.099  -6.077  -7.617
  409   1HA   GLY  70          HA2       GLY  70   9.296  -5.452  -8.408
  410   2HA   GLY  70          HA1       GLY  70   9.087  -6.593  -9.734
  411    H    ARG  71           HN       ARG  71   6.254  -4.843  -9.157
  412    HA   ARG  71           HA       ARG  71   6.969  -2.895 -11.248
  413   1HB   ARG  71          HB2       ARG  71   4.355  -4.365 -10.878
  414   2HB   ARG  71          HB1       ARG  71   4.601  -3.048 -12.017
  415   1HG   ARG  71          HG2       ARG  71   4.842  -4.908 -13.351
  416   2HG   ARG  71          HG1       ARG  71   6.514  -4.529 -12.938
  417   1HD   ARG  71          HD2       ARG  71   6.089  -6.920 -12.736
  418   2HD   ARG  71          HD1       ARG  71   6.462  -6.213 -11.168
  419    HE   ARG  71           HE       ARG  71   4.268  -6.582 -10.490
  420   1HH1  ARG  71          HH11      ARG  71   4.685  -7.463 -13.847
  421   2HH1  ARG  71          HH12      ARG  71   3.202  -8.353 -13.923
  422   1HH2  ARG  71          HH21      ARG  71   2.320  -7.751 -10.598
  423   2HH2  ARG  71          HH22      ARG  71   1.861  -8.515 -12.083
  424    HA   PRO  72           HA       PRO  72   5.690   0.105  -8.231
  425   1HB   PRO  72          HB2       PRO  72   5.276   1.994 -10.428
  426   2HB   PRO  72          HB1       PRO  72   6.473   2.036  -9.132
  427   1HG   PRO  72          HG2       PRO  72   7.132   1.535 -11.705
  428   2HG   PRO  72          HG1       PRO  72   8.014   0.832 -10.337
  429   1HD   PRO  72          HD2       PRO  72   5.948  -0.416 -12.108
  430   2HD   PRO  72          HD1       PRO  72   7.443  -1.114 -11.450
  431    H    LEU  73           HN       LEU  73   3.716   0.176  -7.306
  432    HA   LEU  73           HA       LEU  73   1.355  -0.264  -8.888
  433   1HB   LEU  73          HB2       LEU  73   1.659   0.477  -5.985
  434   2HB   LEU  73          HB1       LEU  73   0.130   0.121  -6.754
  435   1HD1  LEU  73          HD21      LEU  73   0.826  -3.479  -7.282
  436   2HD1  LEU  73          HD22      LEU  73   1.072  -2.212  -8.485
  437   3HD1  LEU  73          HD23      LEU  73  -0.388  -2.217  -7.495
  438   1HD2  LEU  73          HD11      LEU  73   2.955  -2.925  -5.977
  439   2HD2  LEU  73          HD12      LEU  73   3.355  -1.225  -5.748
  440   3HD2  LEU  73          HD13      LEU  73   3.280  -1.903  -7.374
  441    H    THR  74           HN       THR  74  -0.593   1.156  -8.649
  442    HA   THR  74           HA       THR  74   0.144   4.001  -8.764
  443    HB   THR  74           HB       THR  74  -0.174   3.320 -11.034
  444    HG1  THR  74           HG1      THR  74  -1.126   5.286 -10.734
  445   1HG2  THR  74          HG21      THR  74  -2.296   2.287 -11.796
  446   2HG2  THR  74          HG22      THR  74  -2.783   2.116 -10.111
  447   3HG2  THR  74          HG23      THR  74  -1.372   1.248 -10.712
  448    H    ASP  75           HN       ASP  75  -2.024   5.325  -8.867
  449    HA   ASP  75           HA       ASP  75  -3.383   4.835  -6.382
  450   1HB   ASP  75          HB2       ASP  75  -2.688   7.095  -6.940
  451   2HB   ASP  75          HB1       ASP  75  -3.624   7.053  -8.428
  452    H    LYS  76           HN       LYS  76  -3.901   3.168  -8.929
  453    HA   LYS  76           HA       LYS  76  -6.819   3.258  -8.684
  454   1HB   LYS  76          HB2       LYS  76  -5.252   3.108 -11.263
  455   2HB   LYS  76          HB1       LYS  76  -6.974   2.776 -11.141
  456   1HG   LYS  76          HG2       LYS  76  -7.357   5.061 -10.355
  457   2HG   LYS  76          HG1       LYS  76  -5.628   5.390 -10.489
  458   1HD   LYS  76          HD2       LYS  76  -5.726   4.959 -12.890
  459   2HD   LYS  76          HD1       LYS  76  -7.449   4.596 -12.763
  460   1HE   LYS  76          HE2       LYS  76  -7.069   6.872 -13.580
  461   2HE   LYS  76          HE1       LYS  76  -7.888   6.872 -12.018
  462   1HZ   LYS  76          HZ1       LYS  76  -6.142   8.531 -12.089
  463   2HZ   LYS  76          HZ2       LYS  76  -4.989   7.350 -12.456
  464   3HZ   LYS  76          HZ3       LYS  76  -5.764   7.335 -10.953
  465    H    MET  77           HN       MET  77  -4.750   1.574  -7.510
  466    HA   MET  77           HA       MET  77  -5.009  -0.969  -8.890
  467   1HB   MET  77          HB2       MET  77  -3.545  -0.236  -6.355
  468   2HB   MET  77          HB1       MET  77  -3.500  -1.817  -7.125
  469   1HG   MET  77          HG2       MET  77  -2.469   0.774  -8.244
  470   2HG   MET  77          HG1       MET  77  -1.520  -0.602  -7.687
  471   1HE   MET  77          HE1       MET  77  -2.500  -3.326 -10.365
  472   2HE   MET  77          HE2       MET  77  -3.303  -3.012  -8.827
  473   3HE   MET  77          HE3       MET  77  -1.543  -2.997  -8.922
  474    H    LYS  78           HN       LYS  78  -6.016   0.447  -5.763
  475    HA   LYS  78           HA       LYS  78  -6.984  -1.911  -4.669
  476   1HB   LYS  78          HB2       LYS  78  -7.714   0.937  -4.163
  477   2HB   LYS  78          HB1       LYS  78  -8.544  -0.373  -3.338
  478   1HG   LYS  78          HG2       LYS  78  -5.608   0.279  -3.210
  479   2HG   LYS  78          HG1       LYS  78  -6.796   0.408  -1.914
  480   1HD   LYS  78          HD2       LYS  78  -6.213  -1.655  -1.301
  481   2HD   LYS  78          HD1       LYS  78  -6.959  -2.237  -2.787
  482   1HE   LYS  78          HE2       LYS  78  -4.191  -1.180  -2.957
  483   2HE   LYS  78          HE1       LYS  78  -4.417  -2.739  -2.169
  484   1HZ   LYS  78          HZ1       LYS  78  -4.036  -3.228  -4.402
  485   2HZ   LYS  78          HZ2       LYS  78  -5.039  -1.988  -4.957
  486   3HZ   LYS  78          HZ3       LYS  78  -5.715  -3.362  -4.241
  487    H    PHE  79           HN       PHE  79  -9.038   0.654  -6.043
  488    HA   PHE  79           HA       PHE  79 -11.326  -0.910  -6.192
  489   1HB   PHE  79          HB2       PHE  79 -11.329   1.548  -6.420
  490   2HB   PHE  79          HB1       PHE  79 -10.555   1.398  -7.990
  491    HD1  PHE  79           HD1      PHE  79 -11.987   1.886  -9.702
  492    HD2  PHE  79           HD2      PHE  79 -13.466  -0.261  -6.338
  493    HE1  PHE  79           HE1      PHE  79 -14.193   1.723 -10.780
  494    HE2  PHE  79           HE2      PHE  79 -15.675  -0.428  -7.409
  495    HZ   PHE  79           HZ       PHE  79 -16.040   0.565  -9.633
  496    H    GLU  80           HN       GLU  80  -8.496  -1.120  -8.109
  497    HA   GLU  80           HA       GLU  80  -9.903  -2.237 -10.403
  498   1HB   GLU  80          HB2       GLU  80  -8.011  -0.739 -10.804
  499   2HB   GLU  80          HB1       GLU  80  -6.951  -1.823  -9.916
  500   1HG   GLU  80          HG2       GLU  80  -7.337  -3.567 -11.584
  501   2HG   GLU  80          HG1       GLU  80  -8.391  -2.472 -12.479
  502    H    GLU  81           HN       GLU  81  -8.207  -3.325  -7.586
  503    HA   GLU  81           HA       GLU  81  -7.817  -5.995  -8.700
  504   1HB   GLU  81          HB2       GLU  81  -6.064  -4.796  -7.280
  505   2HB   GLU  81          HB1       GLU  81  -7.126  -5.089  -5.909
  506   1HG   GLU  81          HG2       GLU  81  -5.391  -6.769  -6.027
  507   2HG   GLU  81          HG1       GLU  81  -6.974  -7.493  -6.302
  508    H    LEU  82           HN       LEU  82  -9.125  -4.652  -5.705
  509    HA   LEU  82           HA       LEU  82 -10.746  -5.296  -4.293
  510   1HB   LEU  82          HB2       LEU  82 -11.989  -6.418  -6.788
  511   2HB   LEU  82          HB1       LEU  82 -12.808  -5.852  -5.341
  512    HG   LEU  82           HG       LEU  82 -11.089  -4.070  -7.024
  513   1HD1  LEU  82          HD11      LEU  82 -12.679  -4.495  -8.532
  514   2HD1  LEU  82          HD12      LEU  82 -13.437  -3.158  -7.665
  515   3HD1  LEU  82          HD13      LEU  82 -13.934  -4.823  -7.341
  516   1HD2  LEU  82          HD21      LEU  82 -11.368  -3.410  -4.747
  517   2HD2  LEU  82          HD22      LEU  82 -13.128  -3.548  -4.882
  518   3HD2  LEU  82          HD23      LEU  82 -12.267  -2.316  -5.805
  519    H    LYS  83           HN       LYS  83  -8.677  -7.357  -5.452
  520    HA   LYS  83           HA       LYS  83  -9.946  -9.723  -4.281
  521   1HB   LYS  83          HB2       LYS  83  -7.655  -9.714  -6.235
  522   2HB   LYS  83          HB1       LYS  83  -8.556 -11.112  -5.680
  523   1HG   LYS  83          HG2       LYS  83  -9.865  -8.891  -7.201
  524   2HG   LYS  83          HG1       LYS  83  -9.039 -10.219  -8.018
  525   1HD   LYS  83          HD2       LYS  83 -11.157 -11.074  -7.940
  526   2HD   LYS  83          HD1       LYS  83 -10.546 -11.665  -6.392
  527   1HE   LYS  83          HE2       LYS  83 -11.442  -9.415  -5.482
  528   2HE   LYS  83          HE1       LYS  83 -12.411  -9.400  -6.951
  529   1HZ   LYS  83          HZ1       LYS  83 -13.624 -10.399  -5.125
  530   2HZ   LYS  83          HZ2       LYS  83 -12.407 -11.551  -4.903
  531   3HZ   LYS  83          HZ3       LYS  83 -13.323 -11.553  -6.325
  532    H    ILE  84           HN       ILE  84  -7.835  -7.350  -3.610
  533    HA   ILE  84           HA       ILE  84  -5.477  -8.472  -2.744
  534    HB   ILE  84           HB       ILE  84  -5.248  -6.562  -1.243
  535   1HG1  ILE  84          HG12      ILE  84  -8.139  -6.044  -1.969
  536   2HG1  ILE  84          HG11      ILE  84  -7.520  -6.460  -0.375
  537   1HG2  ILE  84          HG21      ILE  84  -6.459  -5.872  -3.918
  538   2HG2  ILE  84          HG22      ILE  84  -4.774  -6.297  -3.617
  539   3HG2  ILE  84          HG23      ILE  84  -5.443  -4.812  -2.941
  540   1HD1  ILE  84          HD11      ILE  84  -6.928  -3.942  -1.900
  541   2HD1  ILE  84          HD12      ILE  84  -6.283  -4.361  -0.316
  542   3HD1  ILE  84          HD13      ILE  84  -8.010  -4.107  -0.521
  543    HA   PRO  85           HA       PRO  85  -7.890  -8.970   1.658
  544   1HB   PRO  85          HB2       PRO  85  -9.875 -10.867   0.851
  545   2HB   PRO  85          HB1       PRO  85 -10.118  -9.290   1.602
  546   1HG   PRO  85          HG2       PRO  85 -10.239 -10.060  -1.254
  547   2HG   PRO  85          HG1       PRO  85 -11.071  -8.746  -0.403
  548   1HD   PRO  85          HD2       PRO  85  -9.054  -8.242  -2.065
  549   2HD   PRO  85          HD1       PRO  85  -9.246  -7.319  -0.566
  550    H    LYS  86           HN       LYS  86  -5.920 -10.018   1.920
  551    HA   LYS  86           HA       LYS  86  -4.593 -11.773   2.451
  552   1HB   LYS  86          HB2       LYS  86  -7.147 -13.336   2.087
  553   2HB   LYS  86          HB1       LYS  86  -5.658 -14.011   2.733
  554   1HG   LYS  86          HG2       LYS  86  -7.230 -11.743   3.940
  555   2HG   LYS  86          HG1       LYS  86  -7.223 -13.415   4.504
  556   1HD   LYS  86          HD2       LYS  86  -4.805 -13.238   4.938
  557   2HD   LYS  86          HD1       LYS  86  -4.851 -11.551   4.421
  558   1HE   LYS  86          HE2       LYS  86  -4.909 -11.713   6.850
  559   2HE   LYS  86          HE1       LYS  86  -6.417 -11.040   6.230
  560   1HZ   LYS  86          HZ1       LYS  86  -5.999 -13.863   7.057
  561   2HZ   LYS  86          HZ2       LYS  86  -7.447 -13.210   6.476
  562   3HZ   LYS  86          HZ3       LYS  86  -6.817 -12.685   7.955
  563    H    ASP  87           HN       ASP  87  -5.402 -11.105  -0.529
  564    HA   ASP  87           HA       ASP  87  -4.194 -13.549  -1.649
  565   1HB   ASP  87          HB2       ASP  87  -5.889 -11.543  -3.129
  566   2HB   ASP  87          HB1       ASP  87  -5.296 -13.080  -3.741
  567    H    TYR  88           HN       TYR  88  -4.195 -10.000  -1.865
  568    HA   TYR  88           HA       TYR  88  -1.635 -10.192  -3.310
  569   1HB   TYR  88          HB2       TYR  88  -3.686  -7.978  -3.323
  570   2HB   TYR  88          HB1       TYR  88  -2.117  -7.884  -4.115
  571    HD1  TYR  88           HD1      TYR  88  -5.220  -9.949  -4.037
  572    HD2  TYR  88           HD2      TYR  88  -1.897  -8.590  -6.319
  573    HE1  TYR  88           HE1      TYR  88  -6.175 -11.002  -6.042
  574    HE2  TYR  88           HE2      TYR  88  -2.844  -9.638  -8.332
  575    HH   TYR  88           HH       TYR  88  -4.408 -11.434  -8.912
  576    H    VAL  89           HN       VAL  89   0.099  -8.978  -2.726
  577    HA   VAL  89           HA       VAL  89  -0.084  -7.326  -0.322
  578    HB   VAL  89           HB       VAL  89   0.616  -9.521   0.487
  579   1HG1  VAL  89          HG11      VAL  89   2.544 -10.664  -0.277
  580   2HG1  VAL  89          HG12      VAL  89   3.039  -9.305  -1.284
  581   3HG1  VAL  89          HG13      VAL  89   1.607 -10.242  -1.711
  582   1HG2  VAL  89          HG21      VAL  89   2.580  -7.268   0.513
  583   2HG2  VAL  89          HG22      VAL  89   2.997  -8.798   1.286
  584   3HG2  VAL  89          HG23      VAL  89   1.577  -7.902   1.816
  585    H    VAL  90           HN       VAL  90   0.555  -5.391  -1.081
  586    HA   VAL  90           HA       VAL  90   2.460  -5.155  -3.221
  587    HB   VAL  90           HB       VAL  90   1.280  -2.975  -1.487
  588   1HG1  VAL  90          HG11      VAL  90   2.823  -2.878  -4.075
  589   2HG1  VAL  90          HG12      VAL  90   3.290  -2.191  -2.519
  590   3HG1  VAL  90          HG13      VAL  90   1.925  -1.514  -3.408
  591   1HG2  VAL  90          HG21      VAL  90   0.010  -4.597  -3.373
  592   2HG2  VAL  90          HG22      VAL  90   0.324  -3.078  -4.209
  593   3HG2  VAL  90          HG23      VAL  90  -0.587  -3.081  -2.699
  594    H    GLN  91           HN       GLN  91   4.567  -4.870  -3.095
  595    HA   GLN  91           HA       GLN  91   5.768  -4.697  -0.450
  596   1HB   GLN  91          HB2       GLN  91   6.500  -6.447  -2.106
  597   2HB   GLN  91          HB1       GLN  91   7.151  -5.148  -3.097
  598   1HG   GLN  91          HG2       GLN  91   8.084  -4.927  -0.389
  599   2HG   GLN  91          HG1       GLN  91   8.433  -6.528  -1.045
  600   1HE2  GLN  91          HE21      GLN  91   9.007  -3.112  -1.360
  601   2HE2  GLN  91          HE22      GLN  91  10.361  -3.235  -2.426
  602    H    VAL  92           HN       VAL  92   6.543  -2.849   0.311
  603    HA   VAL  92           HA       VAL  92   6.762  -0.584  -1.540
  604    HB   VAL  92           HB       VAL  92   6.588   0.858   0.388
  605   1HG1  VAL  92          HG11      VAL  92   4.522  -1.216   0.972
  606   2HG1  VAL  92          HG12      VAL  92   4.533  -0.421  -0.605
  607   3HG1  VAL  92          HG13      VAL  92   4.358   0.536   0.867
  608   1HG2  VAL  92          HG21      VAL  92   6.509  -1.634   2.052
  609   2HG2  VAL  92          HG22      VAL  92   6.411   0.028   2.637
  610   3HG2  VAL  92          HG23      VAL  92   7.904  -0.567   1.916
  611    H    ILE  93           HN       ILE  93   8.439   1.073  -0.923
  612    HA   ILE  93           HA       ILE  93  10.868  -0.062   0.215
  613    HB   ILE  93           HB       ILE  93  10.982   1.444  -2.385
  614   1HG1  ILE  93          HG12      ILE  93  11.118  -1.545  -1.956
  615   2HG1  ILE  93          HG11      ILE  93   9.797  -0.687  -2.745
  616   1HG2  ILE  93          HG21      ILE  93  12.981   1.546  -1.018
  617   2HG2  ILE  93          HG22      ILE  93  13.266   0.568  -2.457
  618   3HG2  ILE  93          HG23      ILE  93  13.005  -0.214  -0.899
  619   1HD1  ILE  93          HD11      ILE  93  11.407   0.073  -4.469
  620   2HD1  ILE  93          HD12      ILE  93  11.186  -1.676  -4.416
  621   3HD1  ILE  93          HD13      ILE  93  12.631  -0.947  -3.715
  622    H    VAL  94           HN       VAL  94  11.853   1.305   1.477
  623    HA   VAL  94           HA       VAL  94  11.331   4.188   1.254
  624    HB   VAL  94           HB       VAL  94   9.933   3.690   3.064
  625   1HG1  VAL  94          HG11      VAL  94  12.045   1.785   4.082
  626   2HG1  VAL  94          HG12      VAL  94  10.528   1.340   3.299
  627   3HG1  VAL  94          HG13      VAL  94  10.508   2.134   4.874
  628   1HG2  VAL  94          HG21      VAL  94  12.552   4.172   4.481
  629   2HG2  VAL  94          HG22      VAL  94  10.937   4.663   4.992
  630   3HG2  VAL  94          HG23      VAL  94  11.689   5.422   3.588
  631    H    SER  95           HN       SER  95  13.310   4.761   0.484
  632    HA   SER  95           HA       SER  95  15.686   3.858   1.955
  633   1HB   SER  95          HB2       SER  95  15.459   5.207  -0.748
  634   2HB   SER  95          HB1       SER  95  16.966   4.687   0.007
  635    HG   SER  95           HG       SER  95  15.807   3.228  -1.575
  636    H    GLN  96           HN       GLN  96  13.883   5.847   3.027
  637    HA   GLN  96           HA       GLN  96  15.695   8.172   3.066
  638   1HB   GLN  96          HB2       GLN  96  12.702   8.218   3.489
  639   2HB   GLN  96          HB1       GLN  96  13.776   9.609   3.456
  640   1HG   GLN  96          HG2       GLN  96  14.276   9.176   1.109
  641   2HG   GLN  96          HG1       GLN  96  13.211   7.773   1.139
  642   1HE2  GLN  96          HE21      GLN  96  13.088  10.204  -0.483
  643   2HE2  GLN  96          HE22      GLN  96  11.536  10.898  -0.178
  644    HA   PRO  97           HA       PRO  97  15.288   6.324   7.346
  645   1HB   PRO  97          HB2       PRO  97  17.930   6.023   7.827
  646   2HB   PRO  97          HB1       PRO  97  16.973   4.797   6.987
  647   1HG   PRO  97          HG2       PRO  97  18.791   6.887   5.852
  648   2HG   PRO  97          HG1       PRO  97  18.630   5.180   5.401
  649   1HD   PRO  97          HD2       PRO  97  17.475   7.196   3.992
  650   2HD   PRO  97          HD1       PRO  97  16.775   5.568   4.099
  651    H    VAL  98           HN       VAL  98  16.859   9.009   5.883
  652    HA   VAL  98           HA       VAL  98  17.457  10.241   8.470
  653    HB   VAL  98           HB       VAL  98  19.205  10.360   6.753
  654   1HG1  VAL  98          HG11      VAL  98  17.810  10.365   4.765
  655   2HG1  VAL  98          HG12      VAL  98  18.893  11.756   4.761
  656   3HG1  VAL  98          HG13      VAL  98  17.193  11.963   5.181
  657   1HG2  VAL  98          HG21      VAL  98  19.082  12.125   8.420
  658   2HG2  VAL  98          HG22      VAL  98  17.966  13.033   7.400
  659   3HG2  VAL  98          HG23      VAL  98  19.630  12.775   6.875
  660    H    GLN  99           HN       GLN  99  15.353  10.566   5.680
  661    HA   GLN  99           HA       GLN  99  14.337  13.133   6.273
  662   1HB   GLN  99          HB2       GLN  99  13.038  10.852   4.772
  663   2HB   GLN  99          HB1       GLN  99  12.473  12.516   4.770
  664   1HG   GLN  99          HG2       GLN  99  15.283  12.038   3.974
  665   2HG   GLN  99          HG1       GLN  99  14.024  11.514   2.860
  666   1HE2  GLN  99          HE21      GLN  99  13.635  14.275   4.972
  667   2HE2  GLN  99          HE22      GLN  99  13.685  15.472   3.730
  668    H    ASN 100           HN       ASN 100  13.970  13.093   8.542
  669    HA   ASN 100           HA       ASN 100  11.294  12.258   9.223
  670   1HB   ASN 100          HB2       ASN 100  13.669  11.124  10.717
  671   2HB   ASN 100          HB1       ASN 100  11.990  10.979  11.229
  672   1HD2  ASN 100          HD21      ASN 100  10.604   9.622  10.104
  673   2HD2  ASN 100          HD22      ASN 100  11.182   8.416   9.012
  Start of MODEL   10
    1    H    GLY  21           H        GLY  21 -14.256  -1.755  -2.857
    2   1HA   GLY  21          HA1       GLY  21 -16.362  -0.990  -3.786
    3   2HA   GLY  21          HA2       GLY  21 -17.084  -2.526  -3.330
    4    H    TYR  22           HN       TYR  22 -17.218  -3.044  -1.051
    5    HA   TYR  22           HA       TYR  22 -17.664  -0.631   0.539
    6   1HB   TYR  22          HB2       TYR  22 -19.525  -2.214   0.371
    7   2HB   TYR  22          HB1       TYR  22 -18.512  -3.494   1.026
    8    HD1  TYR  22           HD1      TYR  22 -20.423  -0.474   1.806
    9    HD2  TYR  22           HD2      TYR  22 -17.947  -3.547   3.394
   10    HE1  TYR  22           HE1      TYR  22 -21.125   0.144   4.080
   11    HE2  TYR  22           HE2      TYR  22 -18.642  -2.939   5.673
   12    HH   TYR  22           HH       TYR  22 -19.546  -0.984   6.862
   13    H    GLU  23           HN       GLU  23 -16.570  -3.921   1.371
   14    HA   GLU  23           HA       GLU  23 -14.606  -2.701   3.190
   15   1HB   GLU  23          HB2       GLU  23 -14.633  -4.849   4.394
   16   2HB   GLU  23          HB1       GLU  23 -16.230  -4.119   4.319
   17   1HG   GLU  23          HG2       GLU  23 -16.830  -5.623   2.488
   18   2HG   GLU  23          HG1       GLU  23 -15.230  -6.359   2.575
   19    H    CYS  24           HN       CYS  24 -12.525  -2.851   2.692
   20    HA   CYS  24           HA       CYS  24 -11.557  -5.146   1.164
   21   1HB   CYS  24          HB2       CYS  24 -10.800  -2.332   0.369
   22   2HB   CYS  24          HB1       CYS  24 -10.444  -3.828  -0.484
   23    HG   CYS  24           HG       CYS  24 -13.373  -2.113  -0.353
   24    H    GLN  25           HN       GLN  25  -9.166  -5.315   1.213
   25    HA   GLN  25           HA       GLN  25  -7.676  -3.702   3.025
   26   1HB   GLN  25          HB2       GLN  25  -7.222  -5.382   4.727
   27   2HB   GLN  25          HB1       GLN  25  -8.942  -5.031   4.659
   28   1HG   GLN  25          HG2       GLN  25  -7.865  -7.342   3.118
   29   2HG   GLN  25          HG1       GLN  25  -8.076  -7.484   4.860
   30   1HE2  GLN  25          HE21      GLN  25  -9.682  -9.017   4.688
   31   2HE2  GLN  25          HE22      GLN  25 -11.271  -8.645   4.123
   32    H    LEU  26           HN       LEU  26  -5.621  -3.753   2.462
   33    HA   LEU  26           HA       LEU  26  -4.623  -6.044   0.887
   34   1HB   LEU  26          HB2       LEU  26  -4.983  -4.120  -0.548
   35   2HB   LEU  26          HB1       LEU  26  -4.060  -3.101   0.537
   36    HG   LEU  26           HG       LEU  26  -2.022  -4.369  -0.010
   37   1HD1  LEU  26          HD11      LEU  26  -3.464  -5.697  -2.257
   38   2HD1  LEU  26          HD12      LEU  26  -3.474  -6.440  -0.659
   39   3HD1  LEU  26          HD13      LEU  26  -1.944  -6.136  -1.479
   40   1HD2  LEU  26          HD21      LEU  26  -2.064  -2.521  -1.330
   41   2HD2  LEU  26          HD22      LEU  26  -3.632  -2.919  -2.029
   42   3HD2  LEU  26          HD23      LEU  26  -2.181  -3.747  -2.593
   43    H    ARG  27           HN       ARG  27  -2.244  -6.405   1.011
   44    HA   ARG  27           HA       ARG  27  -1.265  -5.467   3.620
   45   1HB   ARG  27          HB2       ARG  27   0.234  -7.599   3.377
   46   2HB   ARG  27          HB1       ARG  27  -1.412  -7.719   3.974
   47   1HG   ARG  27          HG2       ARG  27  -2.196  -8.490   1.858
   48   2HG   ARG  27          HG1       ARG  27  -0.631  -8.170   1.109
   49   1HD   ARG  27          HD2       ARG  27   0.378  -9.837   2.656
   50   2HD   ARG  27          HD1       ARG  27  -1.243 -10.217   3.234
   51    HE   ARG  27           HE       ARG  27  -1.155 -10.473   0.432
   52   1HH1  ARG  27          HH11      ARG  27  -0.013 -12.043   3.330
   53   2HH1  ARG  27          HH12      ARG  27   0.051 -13.615   2.605
   54   1HH2  ARG  27          HH21      ARG  27  -1.066 -12.540  -0.528
   55   2HH2  ARG  27          HH22      ARG  27  -0.546 -13.896   0.416
   56    H    LEU  28           HN       LEU  28   0.853  -4.861   3.900
   57    HA   LEU  28           HA       LEU  28   2.338  -4.252   1.419
   58   1HB   LEU  28          HB2       LEU  28   2.249  -2.850   4.087
   59   2HB   LEU  28          HB1       LEU  28   3.494  -2.534   2.904
   60    HG   LEU  28           HG       LEU  28   1.099  -1.189   3.156
   61   1HD1  LEU  28          HD11      LEU  28   1.784  -0.091   1.060
   62   2HD1  LEU  28          HD12      LEU  28   3.016  -1.339   0.857
   63   3HD1  LEU  28          HD13      LEU  28   3.083  -0.248   2.246
   64   1HD2  LEU  28          HD21      LEU  28  -0.166  -2.973   2.122
   65   2HD2  LEU  28          HD22      LEU  28   0.949  -3.004   0.755
   66   3HD2  LEU  28          HD23      LEU  28  -0.075  -1.594   1.028
   67    H    ARG  29           HN       ARG  29   4.630  -4.386   1.505
   68    HA   ARG  29           HA       ARG  29   5.779  -5.912   3.751
   69   1HB   ARG  29          HB2       ARG  29   5.247  -7.390   1.755
   70   2HB   ARG  29          HB1       ARG  29   6.437  -6.464   0.850
   71   1HG   ARG  29          HG2       ARG  29   7.046  -7.972   3.382
   72   2HG   ARG  29          HG1       ARG  29   7.270  -8.626   1.759
   73   1HD   ARG  29          HD2       ARG  29   8.745  -6.621   1.300
   74   2HD   ARG  29          HD1       ARG  29   8.678  -6.290   3.031
   75    HE   ARG  29           HE       ARG  29   9.454  -8.937   2.739
   76   1HH1  ARG  29          HH11      ARG  29  10.686  -5.774   1.931
   77   2HH1  ARG  29          HH12      ARG  29  12.346  -6.257   2.035
   78   1HH2  ARG  29          HH21      ARG  29  11.636  -9.573   2.876
   79   2HH2  ARG  29          HH22      ARG  29  12.885  -8.413   2.571
   80    H    LEU  30           HN       LEU  30   6.967  -4.241   4.607
   81    HA   LEU  30           HA       LEU  30   8.293  -2.386   2.853
   82   1HB   LEU  30          HB2       LEU  30   8.107  -2.549   5.826
   83   2HB   LEU  30          HB1       LEU  30   9.090  -1.357   5.012
   84    HG   LEU  30           HG       LEU  30   6.920  -0.430   5.679
   85   1HD1  LEU  30          HD11      LEU  30   6.206   0.063   3.147
   86   2HD1  LEU  30          HD12      LEU  30   7.854  -0.523   2.916
   87   3HD1  LEU  30          HD13      LEU  30   7.547   0.850   3.976
   88   1HD2  LEU  30          HD21      LEU  30   5.785  -2.557   3.889
   89   2HD2  LEU  30          HD22      LEU  30   4.882  -1.164   4.473
   90   3HD2  LEU  30          HD23      LEU  30   5.511  -2.349   5.617
   91    H    SER  31           HN       SER  31  10.446  -1.877   2.771
   92    HA   SER  31           HA       SER  31  12.200  -3.932   2.329
   93   1HB   SER  31          HB2       SER  31  13.990  -2.235   2.389
   94   2HB   SER  31          HB1       SER  31  12.573  -1.658   1.512
   95    HG   SER  31           HG       SER  31  13.440  -0.116   3.010
   96    H    THR  32           HN       THR  32  11.285  -2.596   5.379
   97    HA   THR  32           HA       THR  32  13.608  -3.773   6.711
   98    HB   THR  32           HB       THR  32  12.703  -2.777   8.770
   99    HG1  THR  32           HG1      THR  32  10.823  -1.460   8.606
  100   1HG2  THR  32          HG21      THR  32  12.959  -0.413   8.154
  101   2HG2  THR  32          HG22      THR  32  12.785  -0.841   6.452
  102   3HG2  THR  32          HG23      THR  32  14.176  -1.420   7.370
  103    H    GLY  33           HN       GLY  33  11.382  -5.289   5.344
  104   1HA   GLY  33          HA2       GLY  33  10.279  -7.269   5.683
  105   2HA   GLY  33          HA1       GLY  33  11.165  -7.406   7.206
  106    H    LYS  34           HN       LYS  34   8.912  -4.903   6.084
  107    HA   LYS  34           HA       LYS  34   7.354  -5.422   8.513
  108   1HB   LYS  34          HB2       LYS  34   8.533  -3.098   7.646
  109   2HB   LYS  34          HB1       LYS  34   6.861  -2.886   7.163
  110   1HG   LYS  34          HG2       LYS  34   7.987  -3.287   9.906
  111   2HG   LYS  34          HG1       LYS  34   7.025  -1.939   9.304
  112   1HD   LYS  34          HD2       LYS  34   6.088  -4.759   9.813
  113   2HD   LYS  34          HD1       LYS  34   5.682  -3.324  10.755
  114   1HE   LYS  34          HE2       LYS  34   5.080  -2.966   7.950
  115   2HE   LYS  34          HE1       LYS  34   4.272  -4.380   8.617
  116   1HZ   LYS  34          HZ1       LYS  34   4.160  -1.656   9.787
  117   2HZ   LYS  34          HZ2       LYS  34   3.324  -3.018  10.342
  118   3HZ   LYS  34          HZ3       LYS  34   2.948  -2.353   8.835
  119    H    ASP  35           HN       ASP  35   5.892  -6.883   7.856
  120    HA   ASP  35           HA       ASP  35   4.213  -6.217   5.563
  121   1HB   ASP  35          HB2       ASP  35   5.317  -8.413   5.425
  122   2HB   ASP  35          HB1       ASP  35   4.590  -8.877   6.966
  123    H    LEU  36           HN       LEU  36   2.362  -5.383   6.003
  124    HA   LEU  36           HA       LEU  36   0.690  -6.334   8.146
  125   1HB   LEU  36          HB2       LEU  36   2.230  -4.621   9.199
  126   2HB   LEU  36          HB1       LEU  36   1.497  -3.429   8.145
  127    HG   LEU  36           HG       LEU  36   0.602  -3.448  10.478
  128   1HD1  LEU  36          HD11      LEU  36  -1.542  -4.166   8.507
  129   2HD1  LEU  36          HD12      LEU  36  -0.650  -2.650   8.413
  130   3HD1  LEU  36          HD13      LEU  36  -1.613  -3.020   9.844
  131   1HD2  LEU  36          HD21      LEU  36  -0.919  -5.219  11.139
  132   2HD2  LEU  36          HD22      LEU  36   0.686  -5.877  10.822
  133   3HD2  LEU  36          HD23      LEU  36  -0.602  -6.080   9.634
  134    H    LYS  37           HN       LYS  37  -1.361  -6.260   7.465
  135    HA   LYS  37           HA       LYS  37  -1.858  -4.864   4.973
  136   1HB   LYS  37          HB2       LYS  37  -3.500  -6.380   4.544
  137   2HB   LYS  37          HB1       LYS  37  -2.458  -7.338   5.574
  138   1HG   LYS  37          HG2       LYS  37  -4.918  -5.883   6.523
  139   2HG   LYS  37          HG1       LYS  37  -4.849  -7.595   6.105
  140   1HD   LYS  37          HD2       LYS  37  -3.203  -7.976   7.857
  141   2HD   LYS  37          HD1       LYS  37  -3.205  -6.256   8.254
  142   1HE   LYS  37          HE2       LYS  37  -4.580  -7.520   9.824
  143   2HE   LYS  37          HE1       LYS  37  -5.562  -6.400   8.881
  144   1HZ   LYS  37          HZ1       LYS  37  -5.282  -9.311   8.363
  145   2HZ   LYS  37          HZ2       LYS  37  -6.225  -8.238   7.457
  146   3HZ   LYS  37          HZ3       LYS  37  -6.623  -8.559   9.070
  147    H    LEU  38           HN       LEU  38  -2.782  -3.002   4.846
  148    HA   LEU  38           HA       LEU  38  -4.221  -1.913   7.144
  149   1HB   LEU  38          HB2       LEU  38  -2.756  -0.269   6.506
  150   2HB   LEU  38          HB1       LEU  38  -2.749  -0.786   4.829
  151    HG   LEU  38           HG       LEU  38  -4.991   0.277   4.537
  152   1HD1  LEU  38          HD11      LEU  38  -4.614   1.844   7.018
  153   2HD1  LEU  38          HD12      LEU  38  -5.210   0.198   7.209
  154   3HD1  LEU  38          HD13      LEU  38  -6.096   1.345   6.203
  155   1HD2  LEU  38          HD21      LEU  38  -4.150   2.522   4.411
  156   2HD2  LEU  38          HD22      LEU  38  -2.847   1.414   3.979
  157   3HD2  LEU  38          HD23      LEU  38  -2.875   2.162   5.574
  158    H    VAL  39           HN       VAL  39  -6.342  -1.269   7.061
  159    HA   VAL  39           HA       VAL  39  -8.035  -2.573   5.194
  160    HB   VAL  39           HB       VAL  39  -8.768  -0.365   7.123
  161   1HG1  VAL  39          HG11      VAL  39 -10.446  -2.498   5.804
  162   2HG1  VAL  39          HG12      VAL  39 -10.469  -0.774   5.433
  163   3HG1  VAL  39          HG13      VAL  39 -11.014  -1.344   7.011
  164   1HG2  VAL  39          HG21      VAL  39  -7.662  -2.188   8.296
  165   2HG2  VAL  39          HG22      VAL  39  -8.747  -3.354   7.536
  166   3HG2  VAL  39          HG23      VAL  39  -9.384  -2.164   8.672
  167    H    VAL  40           HN       VAL  40  -9.275  -1.743   3.543
  168    HA   VAL  40           HA       VAL  40  -9.060   1.061   2.828
  169    HB   VAL  40           HB       VAL  40  -8.420   0.466   0.462
  170   1HG1  VAL  40          HG11      VAL  40  -6.848   1.484   2.023
  171   2HG1  VAL  40          HG12      VAL  40  -6.034   0.357   0.940
  172   3HG1  VAL  40          HG13      VAL  40  -6.383  -0.112   2.604
  173   1HG2  VAL  40          HG21      VAL  40  -7.453  -2.109   1.683
  174   2HG2  VAL  40          HG22      VAL  40  -7.376  -1.620  -0.012
  175   3HG2  VAL  40          HG23      VAL  40  -8.934  -1.975   0.732
  176    H    ARG  41           HN       ARG  41 -10.408   1.470   0.795
  177    HA   ARG  41           HA       ARG  41 -12.408  -0.444   0.160
  178   1HB   ARG  41          HB2       ARG  41 -14.307   0.580   1.151
  179   2HB   ARG  41          HB1       ARG  41 -13.106   0.378   2.411
  180   1HG   ARG  41          HG2       ARG  41 -13.678   2.958   0.973
  181   2HG   ARG  41          HG1       ARG  41 -14.278   2.516   2.568
  182   1HD   ARG  41          HD2       ARG  41 -11.922   2.281   3.323
  183   2HD   ARG  41          HD1       ARG  41 -11.403   2.899   1.756
  184    HE   ARG  41           HE       ARG  41 -13.018   4.849   2.543
  185   1HH1  ARG  41          HH11      ARG  41 -10.548   3.140   4.327
  186   2HH1  ARG  41          HH12      ARG  41 -10.189   4.486   5.355
  187   1HH2  ARG  41          HH21      ARG  41 -12.542   6.615   3.895
  188   2HH2  ARG  41          HH22      ARG  41 -11.318   6.455   5.111
  189    H    SER  42           HN       SER  42 -12.163  -0.141  -1.924
  190    HA   SER  42           HA       SER  42 -11.965   0.831  -3.968
  191   1HB   SER  42          HB2       SER  42 -14.067   1.967  -4.626
  192   2HB   SER  42          HB1       SER  42 -14.333   0.467  -3.739
  193    HG   SER  42           HG       SER  42 -14.690   1.735  -1.866
  194    H    THR  43           HN       THR  43 -12.841   3.471  -1.698
  195    HA   THR  43           HA       THR  43 -11.628   5.414  -3.462
  196    HB   THR  43           HB       THR  43 -12.302   7.073  -1.768
  197    HG1  THR  43           HG1      THR  43 -13.474   4.894  -0.361
  198   1HG2  THR  43          HG21      THR  43 -14.726   6.787  -1.992
  199   2HG2  THR  43          HG22      THR  43 -14.485   5.109  -2.479
  200   3HG2  THR  43          HG23      THR  43 -13.897   6.418  -3.504
  201    H    ASP  44           HN       ASP  44 -10.487   3.337  -1.075
  202    HA   ASP  44           HA       ASP  44  -8.543   5.139   0.041
  203   1HB   ASP  44          HB2       ASP  44  -9.661   2.797   0.919
  204   2HB   ASP  44          HB1       ASP  44  -8.059   2.270   0.401
  205    H    THR  45           HN       THR  45  -7.968   1.985  -1.530
  206    HA   THR  45           HA       THR  45  -6.306   1.253  -2.912
  207    HB   THR  45           HB       THR  45  -5.656   2.684  -4.781
  208    HG1  THR  45           HG1      THR  45  -5.543   4.715  -3.907
  209   1HG2  THR  45          HG21      THR  45  -8.428   2.165  -4.017
  210   2HG2  THR  45          HG22      THR  45  -7.578   1.789  -5.514
  211   3HG2  THR  45          HG23      THR  45  -8.242   3.403  -5.257
  212    H    VAL  46           HN       VAL  46  -4.064   1.426  -3.509
  213    HA   VAL  46           HA       VAL  46  -2.256   1.680  -1.616
  214    HB   VAL  46           HB       VAL  46  -1.972   2.228  -4.537
  215   1HG1  VAL  46          HG11      VAL  46   0.271   2.356  -2.525
  216   2HG1  VAL  46          HG12      VAL  46  -0.310   3.684  -3.530
  217   3HG1  VAL  46          HG13      VAL  46   0.470   2.290  -4.276
  218   1HG2  VAL  46          HG21      VAL  46  -0.651   0.109  -2.850
  219   2HG2  VAL  46          HG22      VAL  46  -0.935   0.119  -4.592
  220   3HG2  VAL  46          HG23      VAL  46  -2.291  -0.071  -3.483
  221    H    PHE  47           HN       PHE  47  -3.657   4.465  -3.248
  222    HA   PHE  47           HA       PHE  47  -1.815   6.420  -2.321
  223   1HB   PHE  47          HB2       PHE  47  -3.389   6.909  -4.138
  224   2HB   PHE  47          HB1       PHE  47  -4.746   6.680  -3.056
  225    HD1  PHE  47           HD1      PHE  47  -2.258   8.964  -4.282
  226    HD2  PHE  47           HD2      PHE  47  -5.097   8.308  -1.181
  227    HE1  PHE  47           HE1      PHE  47  -2.183  11.357  -3.711
  228    HE2  PHE  47           HE2      PHE  47  -5.028  10.698  -0.605
  229    HZ   PHE  47           HZ       PHE  47  -3.570  12.227  -1.872
  230    H    HIS  48           HN       HIS  48  -5.178   6.002  -1.179
  231    HA   HIS  48           HA       HIS  48  -4.714   7.248   1.292
  232   1HB   HIS  48          HB2       HIS  48  -6.730   5.143   0.520
  233   2HB   HIS  48          HB1       HIS  48  -6.751   6.014   2.052
  234    HD1  HIS  48           HD1      HIS  48  -8.134   8.066   2.083
  235    HD2  HIS  48           HD2      HIS  48  -6.978   7.042  -1.775
  236    HE1  HIS  48           HE1      HIS  48  -9.294   9.709   0.574
  237    HE2  HIS  48           HE2      HIS  48  -8.516   9.120  -1.748
  238    H    MET  49           HN       MET  49  -4.608   3.890   0.247
  239    HA   MET  49           HA       MET  49  -3.973   2.499   2.468
  240   1HB   MET  49          HB2       MET  49  -3.988   1.669   0.048
  241   2HB   MET  49          HB1       MET  49  -2.344   2.280  -0.050
  242   1HG   MET  49          HG2       MET  49  -2.282  -0.074   0.357
  243   2HG   MET  49          HG1       MET  49  -1.684   0.782   1.777
  244   1HE   MET  49          HE1       MET  49  -3.518  -2.443   3.160
  245   2HE   MET  49          HE2       MET  49  -1.988  -1.569   3.126
  246   3HE   MET  49          HE3       MET  49  -2.621  -2.297   1.649
  247    H    LYS  50           HN       LYS  50  -1.843   4.416   0.451
  248    HA   LYS  50           HA       LYS  50   0.485   4.228   2.047
  249   1HB   LYS  50          HB2       LYS  50   1.160   4.950   0.005
  250   2HB   LYS  50          HB1       LYS  50  -0.394   5.680  -0.353
  251   1HG   LYS  50          HG2       LYS  50   1.347   7.076   1.598
  252   2HG   LYS  50          HG1       LYS  50   1.822   7.106  -0.097
  253   1HD   LYS  50          HD2       LYS  50  -0.388   7.987  -0.693
  254   2HD   LYS  50          HD1       LYS  50  -0.843   7.982   1.011
  255   1HE   LYS  50          HE2       LYS  50   0.972   9.555   1.494
  256   2HE   LYS  50          HE1       LYS  50   1.408   9.569  -0.215
  257   1HZ   LYS  50          HZ1       LYS  50   0.052  11.479   0.368
  258   2HZ   LYS  50          HZ2       LYS  50  -1.190  10.467   0.912
  259   3HZ   LYS  50          HZ3       LYS  50  -0.770  10.483  -0.726
  260    H    ARG  51           HN       ARG  51  -2.232   6.444   1.866
  261    HA   ARG  51           HA       ARG  51  -1.348   8.493   3.454
  262   1HB   ARG  51          HB2       ARG  51  -3.526   8.477   2.272
  263   2HB   ARG  51          HB1       ARG  51  -4.139   7.343   3.467
  264   1HG   ARG  51          HG2       ARG  51  -4.890   9.593   3.948
  265   2HG   ARG  51          HG1       ARG  51  -3.820   9.004   5.223
  266   1HD   ARG  51          HD2       ARG  51  -1.959  10.247   4.225
  267   2HD   ARG  51          HD1       ARG  51  -3.036  10.840   2.961
  268    HE   ARG  51           HE       ARG  51  -4.089  11.489   5.494
  269   1HH1  ARG  51          HH11      ARG  51  -1.501  12.378   3.330
  270   2HH1  ARG  51          HH12      ARG  51  -1.397  14.002   3.920
  271   1HH2  ARG  51          HH21      ARG  51  -3.954  13.625   6.272
  272   2HH2  ARG  51          HH22      ARG  51  -2.789  14.710   5.592
  273    H    ARG  52           HN       ARG  52  -3.297   5.731   4.515
  274    HA   ARG  52           HA       ARG  52  -2.679   6.143   7.277
  275   1HB   ARG  52          HB2       ARG  52  -4.060   3.850   5.877
  276   2HB   ARG  52          HB1       ARG  52  -3.945   4.033   7.621
  277   1HG   ARG  52          HG2       ARG  52  -5.162   6.188   7.416
  278   2HG   ARG  52          HG1       ARG  52  -5.378   5.851   5.698
  279   1HD   ARG  52          HD2       ARG  52  -7.363   5.201   6.910
  280   2HD   ARG  52          HD1       ARG  52  -6.553   3.764   6.285
  281    HE   ARG  52           HE       ARG  52  -5.560   3.987   8.788
  282   1HH1  ARG  52          HH11      ARG  52  -8.807   3.948   7.509
  283   2HH1  ARG  52          HH12      ARG  52  -9.492   3.234   8.929
  284   1HH2  ARG  52          HH21      ARG  52  -6.460   3.048  10.658
  285   2HH2  ARG  52          HH22      ARG  52  -8.161   2.723  10.718
  286    H    LEU  53           HN       LEU  53  -1.056   4.662   4.698
  287    HA   LEU  53           HA       LEU  53   0.210   2.510   6.009
  288   1HB   LEU  53          HB2       LEU  53   0.218   2.911   3.544
  289   2HB   LEU  53          HB1       LEU  53   1.323   4.237   3.801
  290    HG   LEU  53           HG       LEU  53   3.028   2.690   4.609
  291   1HD1  LEU  53          HD11      LEU  53   0.970   0.555   4.090
  292   2HD1  LEU  53          HD12      LEU  53   1.583   1.050   5.667
  293   3HD1  LEU  53          HD13      LEU  53   2.660   0.273   4.507
  294   1HD2  LEU  53          HD21      LEU  53   3.549   1.636   2.539
  295   2HD2  LEU  53          HD22      LEU  53   2.750   3.165   2.170
  296   3HD2  LEU  53          HD23      LEU  53   1.857   1.650   2.041
  297    H    HIS  54           HN       HIS  54   1.351   5.847   5.400
  298    HA   HIS  54           HA       HIS  54   3.573   5.646   7.133
  299   1HB   HIS  54          HB2       HIS  54   3.592   7.369   5.463
  300   2HB   HIS  54          HB1       HIS  54   2.063   8.026   6.038
  301    HD1  HIS  54           HD1      HIS  54   5.713   7.836   6.951
  302    HD2  HIS  54           HD2      HIS  54   2.264   9.827   8.133
  303    HE1  HIS  54           HE1      HIS  54   6.477   9.590   8.584
  304    HE2  HIS  54           HE2      HIS  54   4.382  10.837   9.220
  305    H    ALA  55           HN       ALA  55   0.280   6.925   7.516
  306    HA   ALA  55           HA       ALA  55   0.537   7.931  10.108
  307   1HB   ALA  55          HB1       ALA  55  -1.837   7.935  10.217
  308   2HB   ALA  55          HB2       ALA  55  -1.956   6.670   8.996
  309   3HB   ALA  55          HB3       ALA  55  -1.391   8.278   8.546
  310    H    ALA  56           HN       ALA  56  -0.214   4.640   9.022
  311    HA   ALA  56           HA       ALA  56  -0.504   3.736  11.770
  312   1HB   ALA  56          HB1       ALA  56  -0.676   2.176   9.196
  313   2HB   ALA  56          HB2       ALA  56  -2.038   2.889  10.060
  314   3HB   ALA  56          HB3       ALA  56  -1.107   1.588  10.802
  315    H    GLU  57           HN       GLU  57   1.659   3.175   9.004
  316    HA   GLU  57           HA       GLU  57   3.416   1.558  10.666
  317   1HB   GLU  57          HB2       GLU  57   3.975   2.356   7.824
  318   2HB   GLU  57          HB1       GLU  57   4.520   0.928   8.692
  319   1HG   GLU  57          HG2       GLU  57   1.767   1.499   7.633
  320   2HG   GLU  57          HG1       GLU  57   2.881   0.232   7.131
  321    H    GLY  58           HN       GLY  58   3.956   4.318   8.455
  322   1HA   GLY  58          HA2       GLY  58   4.934   6.296   9.806
  323   2HA   GLY  58          HA1       GLY  58   6.194   5.126  10.187
  324    H    VAL  59           HN       VAL  59   5.432   4.250   7.179
  325    HA   VAL  59           HA       VAL  59   7.616   5.784   6.039
  326    HB   VAL  59           HB       VAL  59   6.009   3.515   4.855
  327   1HG1  VAL  59          HG11      VAL  59   7.536   3.414   3.110
  328   2HG1  VAL  59          HG12      VAL  59   8.747   4.343   3.990
  329   3HG1  VAL  59          HG13      VAL  59   7.329   5.152   3.332
  330   1HG2  VAL  59          HG21      VAL  59   7.213   2.866   6.889
  331   2HG2  VAL  59          HG22      VAL  59   8.711   3.485   6.192
  332   3HG2  VAL  59          HG23      VAL  59   7.899   2.105   5.454
  333    H    GLU  60           HN       GLU  60   7.144   7.698   5.171
  334    HA   GLU  60           HA       GLU  60   4.570   8.368   4.096
  335   1HB   GLU  60          HB2       GLU  60   7.054   9.760   4.762
  336   2HB   GLU  60          HB1       GLU  60   6.311  10.366   3.290
  337   1HG   GLU  60          HG2       GLU  60   4.189  10.655   4.563
  338   2HG   GLU  60          HG1       GLU  60   5.070  10.217   6.021
  339    HA   PRO  61           HA       PRO  61   4.742   7.782  -0.283
  340   1HB   PRO  61          HB2       PRO  61   5.358  10.415  -1.188
  341   2HB   PRO  61          HB1       PRO  61   3.778   9.634  -1.133
  342   1HG   PRO  61          HG2       PRO  61   5.013  11.532   0.771
  343   2HG   PRO  61          HG1       PRO  61   3.301  11.247   0.413
  344   1HD   PRO  61          HD2       PRO  61   4.412  10.413   2.701
  345   2HD   PRO  61          HD1       PRO  61   3.168   9.453   1.878
  346    H    GLY  62           HN       GLY  62   7.237  10.182   0.626
  347   1HA   GLY  62          HA2       GLY  62   9.071   9.611  -1.377
  348   2HA   GLY  62          HA1       GLY  62   9.499  10.216   0.216
  349    H    SER  63           HN       SER  63   8.489   7.927   1.648
  350    HA   SER  63           HA       SER  63  10.673   6.062   1.064
  351   1HB   SER  63          HB2       SER  63   8.985   6.334   3.562
  352   2HB   SER  63          HB1       SER  63  10.383   5.283   3.360
  353    HG   SER  63           HG       SER  63  10.290   7.924   3.956
  354    H    GLN  64           HN       GLN  64   7.478   6.333   0.344
  355    HA   GLN  64           HA       GLN  64   6.856   3.501   0.722
  356   1HB   GLN  64          HB2       GLN  64   5.185   5.872  -0.094
  357   2HB   GLN  64          HB1       GLN  64   4.589   4.222  -0.173
  358   1HG   GLN  64          HG2       GLN  64   4.575   3.980   2.133
  359   2HG   GLN  64          HG1       GLN  64   5.697   5.320   2.375
  360   1HE2  GLN  64          HE21      GLN  64   3.050   4.798   3.521
  361   2HE2  GLN  64          HE22      GLN  64   2.094   6.189   3.152
  362    H    ARG  65           HN       ARG  65   8.630   3.109  -0.963
  363    HA   ARG  65           HA       ARG  65   7.890   3.693  -3.692
  364   1HB   ARG  65          HB2       ARG  65  10.078   1.983  -2.508
  365   2HB   ARG  65          HB1       ARG  65   9.856   2.219  -4.236
  366   1HG   ARG  65          HG2       ARG  65  10.135   4.666  -3.868
  367   2HG   ARG  65          HG1       ARG  65  10.531   4.316  -2.185
  368   1HD   ARG  65          HD2       ARG  65  12.444   3.008  -2.867
  369   2HD   ARG  65          HD1       ARG  65  12.014   3.205  -4.565
  370    HE   ARG  65           HE       ARG  65  12.378   5.715  -3.271
  371   1HH1  ARG  65          HH11      ARG  65  14.106   3.030  -4.680
  372   2HH1  ARG  65          HH12      ARG  65  15.503   3.973  -5.074
  373   1HH2  ARG  65          HH21      ARG  65  14.215   6.958  -3.790
  374   2HH2  ARG  65          HH22      ARG  65  15.566   6.203  -4.568
  375    H    TRP  66           HN       TRP  66   5.933   2.730  -4.080
  376    HA   TRP  66           HA       TRP  66   5.293   0.065  -3.336
  377   1HB   TRP  66          HB2       TRP  66   3.976   1.667  -5.530
  378   2HB   TRP  66          HB1       TRP  66   3.271   0.372  -4.567
  379    HD1  TRP  66           HD1      TRP  66   2.481   0.980  -2.078
  380    HE1  TRP  66           HE1      TRP  66   1.941   3.233  -0.957
  381    HE3  TRP  66           HE3      TRP  66   4.659   4.122  -5.473
  382    HZ2  TRP  66           HZ2      TRP  66   2.379   5.975  -1.449
  383    HZ3  TRP  66           HZ3      TRP  66   4.553   6.547  -5.073
  384    HH2  TRP  66           HH2      TRP  66   3.436   7.454  -3.101
  385    H    PHE  67           HN       PHE  67   5.626  -1.808  -4.346
  386    HA   PHE  67           HA       PHE  67   6.353  -1.836  -7.162
  387   1HB   PHE  67          HB2       PHE  67   8.118  -2.718  -4.916
  388   2HB   PHE  67          HB1       PHE  67   8.190  -3.570  -6.454
  389    HD1  PHE  67           HD1      PHE  67   9.294  -0.741  -4.602
  390    HD2  PHE  67           HD2      PHE  67   8.634  -2.182  -8.551
  391    HE1  PHE  67           HE1      PHE  67  10.809   0.989  -5.482
  392    HE2  PHE  67           HE2      PHE  67  10.146  -0.456  -9.438
  393    HZ   PHE  67           HZ       PHE  67  11.236   1.131  -7.903
  394    H    PHE  68           HN       PHE  68   4.653  -2.992  -7.844
  395    HA   PHE  68           HA       PHE  68   4.050  -5.538  -6.506
  396   1HB   PHE  68          HB2       PHE  68   2.195  -3.868  -6.756
  397   2HB   PHE  68          HB1       PHE  68   2.358  -4.029  -8.502
  398    HD1  PHE  68           HD1      PHE  68   1.765  -6.141  -9.612
  399    HD2  PHE  68           HD2      PHE  68   1.095  -5.527  -5.455
  400    HE1  PHE  68           HE1      PHE  68   0.219  -8.054  -9.583
  401    HE2  PHE  68           HE2      PHE  68  -0.452  -7.440  -5.418
  402    HZ   PHE  68           HZ       PHE  68  -0.891  -8.707  -7.485
  403    H    SER  69           HN       SER  69   4.501  -7.398  -7.519
  404    HA   SER  69           HA       SER  69   5.189  -8.880  -9.102
  405   1HB   SER  69          HB2       SER  69   3.105  -8.277 -10.235
  406   2HB   SER  69          HB1       SER  69   3.903  -6.903 -11.000
  407    HG   SER  69           HG       SER  69   5.266  -8.389 -12.072
  408    H    GLY  70           HN       GLY  70   6.688  -6.167  -8.507
  409   1HA   GLY  70          HA2       GLY  70   8.969  -5.785  -8.892
  410   2HA   GLY  70          HA1       GLY  70   8.871  -6.771 -10.351
  411    H    ARG  71           HN       ARG  71   6.556  -4.256  -9.695
  412    HA   ARG  71           HA       ARG  71   7.938  -2.392 -11.474
  413   1HB   ARG  71          HB2       ARG  71   5.104  -3.361 -11.901
  414   2HB   ARG  71          HB1       ARG  71   5.855  -2.033 -12.774
  415   1HG   ARG  71          HG2       ARG  71   7.479  -3.543 -13.744
  416   2HG   ARG  71          HG1       ARG  71   6.814  -4.886 -12.811
  417   1HD   ARG  71          HD2       ARG  71   4.695  -4.676 -13.975
  418   2HD   ARG  71          HD1       ARG  71   5.300  -3.280 -14.866
  419    HE   ARG  71           HE       ARG  71   6.909  -5.627 -15.215
  420   1HH1  ARG  71          HH11      ARG  71   4.067  -3.936 -16.331
  421   2HH1  ARG  71          HH12      ARG  71   4.085  -4.679 -17.895
  422   1HH2  ARG  71          HH21      ARG  71   6.935  -6.606 -17.271
  423   2HH2  ARG  71          HH22      ARG  71   5.714  -6.196 -18.429
  424    HA   PRO  72           HA       PRO  72   6.384   0.662  -8.706
  425   1HB   PRO  72          HB2       PRO  72   5.683   2.464 -10.916
  426   2HB   PRO  72          HB1       PRO  72   6.934   2.642  -9.685
  427   1HG   PRO  72          HG2       PRO  72   7.526   2.140 -12.266
  428   2HG   PRO  72          HG1       PRO  72   8.509   1.512 -10.930
  429   1HD   PRO  72          HD2       PRO  72   6.444   0.110 -12.589
  430   2HD   PRO  72          HD1       PRO  72   8.018  -0.481 -12.011
  431    H    LEU  73           HN       LEU  73   4.506   0.005  -7.786
  432    HA   LEU  73           HA       LEU  73   2.078  -0.314  -9.243
  433   1HB   LEU  73          HB2       LEU  73   2.746  -1.506  -7.117
  434   2HB   LEU  73          HB1       LEU  73   2.353  -0.027  -6.260
  435   1HD1  LEU  73          HD21      LEU  73   0.925  -2.752  -8.319
  436   2HD1  LEU  73          HD22      LEU  73   0.370  -1.299  -9.147
  437   3HD1  LEU  73          HD23      LEU  73  -0.748  -2.226  -8.146
  438   1HD2  LEU  73          HD11      LEU  73   1.091  -2.643  -5.673
  439   2HD2  LEU  73          HD12      LEU  73  -0.612  -2.197  -5.761
  440   3HD2  LEU  73          HD13      LEU  73   0.528  -1.155  -4.912
  441    H    THR  74           HN       THR  74   0.120   0.849  -9.004
  442    HA   THR  74           HA       THR  74   0.520   3.721  -8.838
  443    HB   THR  74           HB       THR  74  -2.081   2.323  -9.446
  444    HG1  THR  74           HG1      THR  74   0.094   2.894 -11.197
  445   1HG2  THR  74          HG21      THR  74  -0.932   5.036 -10.062
  446   2HG2  THR  74          HG22      THR  74  -2.399   4.650  -9.161
  447   3HG2  THR  74          HG23      THR  74  -2.339   4.388 -10.902
  448    H    ASP  75           HN       ASP  75  -1.197   5.042  -7.717
  449    HA   ASP  75           HA       ASP  75  -1.520   4.035  -5.021
  450   1HB   ASP  75          HB2       ASP  75  -2.272   6.798  -5.921
  451   2HB   ASP  75          HB1       ASP  75  -1.713   6.258  -4.343
  452    H    LYS  76           HN       LYS  76  -3.316   3.719  -7.683
  453    HA   LYS  76           HA       LYS  76  -5.857   3.877  -6.204
  454   1HB   LYS  76          HB2       LYS  76  -5.409   4.482  -9.131
  455   2HB   LYS  76          HB1       LYS  76  -6.981   4.400  -8.348
  456   1HG   LYS  76          HG2       LYS  76  -6.359   6.277  -6.907
  457   2HG   LYS  76          HG1       LYS  76  -4.789   6.364  -7.710
  458   1HD   LYS  76          HD2       LYS  76  -5.899   6.839  -9.836
  459   2HD   LYS  76          HD1       LYS  76  -7.472   6.730  -9.043
  460   1HE   LYS  76          HE2       LYS  76  -5.304   8.733  -8.416
  461   2HE   LYS  76          HE1       LYS  76  -6.775   9.055  -9.333
  462   1HZ   LYS  76          HZ1       LYS  76  -6.666   8.208  -6.489
  463   2HZ   LYS  76          HZ2       LYS  76  -8.075   8.522  -7.368
  464   3HZ   LYS  76          HZ3       LYS  76  -6.987   9.775  -7.039
  465    H    MET  77           HN       MET  77  -4.292   1.643  -6.156
  466    HA   MET  77           HA       MET  77  -5.144  -0.185  -8.243
  467   1HB   MET  77          HB2       MET  77  -3.436  -0.732  -5.835
  468   2HB   MET  77          HB1       MET  77  -3.587  -1.733  -7.275
  469   1HG   MET  77          HG2       MET  77  -2.576   1.084  -7.410
  470   2HG   MET  77          HG1       MET  77  -1.518  -0.268  -7.037
  471   1HE   MET  77          HE1       MET  77  -3.919   1.366  -9.359
  472   2HE   MET  77          HE2       MET  77  -4.502  -0.154 -10.041
  473   3HE   MET  77          HE3       MET  77  -3.428   0.881 -10.980
  474    H    LYS  78           HN       LYS  78  -6.080   0.443  -4.909
  475    HA   LYS  78           HA       LYS  78  -6.971  -2.118  -4.242
  476   1HB   LYS  78          HB2       LYS  78  -6.856  -0.462  -2.528
  477   2HB   LYS  78          HB1       LYS  78  -8.003   0.567  -3.365
  478   1HG   LYS  78          HG2       LYS  78  -9.031  -0.519  -1.461
  479   2HG   LYS  78          HG1       LYS  78  -9.771  -1.059  -2.969
  480   1HD   LYS  78          HD2       LYS  78  -7.508  -2.630  -1.839
  481   2HD   LYS  78          HD1       LYS  78  -9.095  -2.770  -1.086
  482   1HE   LYS  78          HE2       LYS  78  -9.887  -3.093  -3.571
  483   2HE   LYS  78          HE1       LYS  78  -8.208  -3.568  -3.818
  484   1HZ   LYS  78          HZ1       LYS  78  -9.297  -5.543  -3.328
  485   2HZ   LYS  78          HZ2       LYS  78 -10.251  -4.849  -2.118
  486   3HZ   LYS  78          HZ3       LYS  78  -8.604  -5.115  -1.844
  487    H    PHE  79           HN       PHE  79  -9.109   0.560  -5.224
  488    HA   PHE  79           HA       PHE  79 -11.287  -1.088  -5.790
  489   1HB   PHE  79          HB2       PHE  79 -11.410   1.374  -5.431
  490   2HB   PHE  79          HB1       PHE  79 -10.686   1.613  -7.010
  491    HD1  PHE  79           HD1      PHE  79 -12.080   2.019  -8.779
  492    HD2  PHE  79           HD2      PHE  79 -13.554  -0.201  -5.461
  493    HE1  PHE  79           HE1      PHE  79 -14.307   1.945  -9.823
  494    HE2  PHE  79           HE2      PHE  79 -15.783  -0.278  -6.497
  495    HZ   PHE  79           HZ       PHE  79 -16.163   0.796  -8.682
  496    H    GLU  80           HN       GLU  80  -8.394  -0.810  -7.529
  497    HA   GLU  80           HA       GLU  80  -9.618  -1.247 -10.131
  498   1HB   GLU  80          HB2       GLU  80  -7.677   0.230  -9.981
  499   2HB   GLU  80          HB1       GLU  80  -6.713  -1.083  -9.319
  500   1HG   GLU  80          HG2       GLU  80  -6.221  -0.736 -11.667
  501   2HG   GLU  80          HG1       GLU  80  -6.950  -2.320 -11.404
  502    H    GLU  81           HN       GLU  81  -7.973  -3.075  -7.644
  503    HA   GLU  81           HA       GLU  81  -7.750  -5.403  -9.391
  504   1HB   GLU  81          HB2       GLU  81  -5.860  -4.701  -7.847
  505   2HB   GLU  81          HB1       GLU  81  -6.889  -5.183  -6.506
  506   1HG   GLU  81          HG2       GLU  81  -5.289  -6.923  -7.089
  507   2HG   GLU  81          HG1       GLU  81  -6.948  -7.461  -7.338
  508    H    LEU  82           HN       LEU  82  -8.874  -4.672  -6.124
  509    HA   LEU  82           HA       LEU  82 -10.722  -5.256  -4.967
  510   1HB   LEU  82          HB2       LEU  82 -11.721  -6.445  -7.551
  511   2HB   LEU  82          HB1       LEU  82 -12.651  -6.159  -6.110
  512    HG   LEU  82           HG       LEU  82 -13.257  -4.436  -7.568
  513   1HD1  LEU  82          HD11      LEU  82 -11.147  -3.256  -5.773
  514   2HD1  LEU  82          HD12      LEU  82 -12.769  -3.719  -5.259
  515   3HD1  LEU  82          HD13      LEU  82 -12.554  -2.432  -6.445
  516   1HD2  LEU  82          HD21      LEU  82 -11.116  -4.847  -8.977
  517   2HD2  LEU  82          HD22      LEU  82 -10.443  -3.546  -7.995
  518   3HD2  LEU  82          HD23      LEU  82 -11.876  -3.258  -8.981
  519    H    LYS  83           HN       LYS  83  -8.706  -7.460  -6.535
  520    HA   LYS  83           HA       LYS  83  -9.833  -9.727  -5.062
  521   1HB   LYS  83          HB2       LYS  83  -7.688  -9.966  -7.136
  522   2HB   LYS  83          HB1       LYS  83  -8.846 -11.175  -6.617
  523   1HG   LYS  83          HG2       LYS  83  -9.703  -8.696  -8.067
  524   2HG   LYS  83          HG1       LYS  83  -9.141 -10.131  -8.929
  525   1HD   LYS  83          HD2       LYS  83 -11.429 -10.470  -8.863
  526   2HD   LYS  83          HD1       LYS  83 -10.879 -11.373  -7.449
  527   1HE   LYS  83          HE2       LYS  83 -11.373  -9.393  -6.060
  528   2HE   LYS  83          HE1       LYS  83 -12.047  -8.599  -7.478
  529   1HZ   LYS  83          HZ1       LYS  83 -13.775  -9.609  -6.130
  530   2HZ   LYS  83          HZ2       LYS  83 -13.041 -11.126  -6.274
  531   3HZ   LYS  83          HZ3       LYS  83 -13.687 -10.368  -7.640
  532    H    ILE  84           HN       ILE  84  -8.261  -7.640  -3.816
  533    HA   ILE  84           HA       ILE  84  -5.882  -9.184  -3.053
  534    HB   ILE  84           HB       ILE  84  -4.796  -7.086  -2.466
  535   1HG1  ILE  84          HG12      ILE  84  -7.358  -5.809  -3.447
  536   2HG1  ILE  84          HG11      ILE  84  -6.732  -5.771  -1.801
  537   1HG2  ILE  84          HG21      ILE  84  -5.929  -6.731  -5.222
  538   2HG2  ILE  84          HG22      ILE  84  -4.818  -8.043  -4.836
  539   3HG2  ILE  84          HG23      ILE  84  -4.304  -6.367  -4.643
  540   1HD1  ILE  84          HD11      ILE  84  -5.359  -4.543  -4.179
  541   2HD1  ILE  84          HD12      ILE  84  -4.883  -4.402  -2.486
  542   3HD1  ILE  84          HD13      ILE  84  -6.386  -3.670  -3.043
  543    HA   PRO  85           HA       PRO  85  -8.576  -8.225   0.768
  544   1HB   PRO  85          HB2       PRO  85 -10.156 -10.367   1.017
  545   2HB   PRO  85          HB1       PRO  85 -10.608  -9.015  -0.032
  546   1HG   PRO  85          HG2       PRO  85  -9.374 -11.648  -0.762
  547   2HG   PRO  85          HG1       PRO  85 -10.711 -10.786  -1.546
  548   1HD   PRO  85          HD2       PRO  85  -8.132 -10.716  -2.454
  549   2HD   PRO  85          HD1       PRO  85  -9.302  -9.405  -2.709
  550    H    LYS  86           HN       LYS  86  -6.374  -8.605   1.564
  551    HA   LYS  86           HA       LYS  86  -4.908  -9.631   2.970
  552   1HB   LYS  86          HB2       LYS  86  -7.118 -11.644   3.412
  553   2HB   LYS  86          HB1       LYS  86  -5.717 -11.391   4.441
  554   1HG   LYS  86          HG2       LYS  86  -6.504  -9.163   5.001
  555   2HG   LYS  86          HG1       LYS  86  -7.887  -9.372   3.927
  556   1HD   LYS  86          HD2       LYS  86  -8.530  -9.760   6.243
  557   2HD   LYS  86          HD1       LYS  86  -8.665 -11.246   5.301
  558   1HE   LYS  86          HE2       LYS  86  -6.510 -11.997   6.174
  559   2HE   LYS  86          HE1       LYS  86  -6.362 -10.507   7.104
  560   1HZ   LYS  86          HZ1       LYS  86  -8.492 -12.549   7.447
  561   2HZ   LYS  86          HZ2       LYS  86  -8.334 -11.128   8.349
  562   3HZ   LYS  86          HZ3       LYS  86  -7.159 -12.339   8.466
  563    H    ASP  87           HN       ASP  87  -5.563 -10.650   0.071
  564    HA   ASP  87           HA       ASP  87  -4.025 -13.151   0.283
  565   1HB   ASP  87          HB2       ASP  87  -5.954 -12.273  -1.875
  566   2HB   ASP  87          HB1       ASP  87  -5.010 -13.760  -1.908
  567    H    TYR  88           HN       TYR  88  -4.187  -9.983  -1.122
  568    HA   TYR  88           HA       TYR  88  -1.741 -10.545  -2.656
  569   1HB   TYR  88          HB2       TYR  88  -4.054  -8.745  -3.135
  570   2HB   TYR  88          HB1       TYR  88  -2.474  -8.217  -3.706
  571    HD1  TYR  88           HD1      TYR  88  -1.523  -9.136  -5.661
  572    HD2  TYR  88           HD2      TYR  88  -4.977 -10.942  -3.956
  573    HE1  TYR  88           HE1      TYR  88  -1.769 -10.541  -7.664
  574    HE2  TYR  88           HE2      TYR  88  -5.233 -12.351  -5.954
  575    HH   TYR  88           HH       TYR  88  -2.807 -12.703  -8.281
  576    H    VAL  89           HN       VAL  89  -0.012  -9.128  -2.566
  577    HA   VAL  89           HA       VAL  89  -0.077  -7.093  -0.465
  578    HB   VAL  89           HB       VAL  89   0.797  -9.188   0.504
  579   1HG1  VAL  89          HG11      VAL  89   2.991 -10.030  -0.208
  580   2HG1  VAL  89          HG12      VAL  89   2.985  -8.883  -1.547
  581   3HG1  VAL  89          HG13      VAL  89   1.780 -10.168  -1.482
  582   1HG2  VAL  89          HG21      VAL  89   2.526  -6.762   0.254
  583   2HG2  VAL  89          HG22      VAL  89   3.099  -8.156   1.169
  584   3HG2  VAL  89          HG23      VAL  89   1.607  -7.348   1.641
  585    H    VAL  90           HN       VAL  90   1.084  -5.310  -0.877
  586    HA   VAL  90           HA       VAL  90   2.499  -5.203  -3.434
  587    HB   VAL  90           HB       VAL  90   1.749  -2.865  -1.666
  588   1HG1  VAL  90          HG11      VAL  90   2.619  -3.082  -4.555
  589   2HG1  VAL  90          HG12      VAL  90   3.499  -2.333  -3.221
  590   3HG1  VAL  90          HG13      VAL  90   2.002  -1.610  -3.800
  591   1HG2  VAL  90          HG21      VAL  90   0.194  -4.309  -3.780
  592   2HG2  VAL  90          HG22      VAL  90  -0.071  -2.592  -3.469
  593   3HG2  VAL  90          HG23      VAL  90  -0.321  -3.770  -2.184
  594    H    GLN  91           HN       GLN  91   4.581  -4.353  -3.585
  595    HA   GLN  91           HA       GLN  91   6.155  -4.798  -1.187
  596   1HB   GLN  91          HB2       GLN  91   6.647  -5.678  -3.642
  597   2HB   GLN  91          HB1       GLN  91   7.421  -4.107  -3.797
  598   1HG   GLN  91          HG2       GLN  91   8.192  -5.359  -1.335
  599   2HG   GLN  91          HG1       GLN  91   8.484  -6.444  -2.694
  600   1HE2  GLN  91          HE21      GLN  91   8.602  -2.936  -2.881
  601   2HE2  GLN  91          HE22      GLN  91  10.297  -2.827  -3.183
  602    H    VAL  92           HN       VAL  92   7.609  -3.268  -0.397
  603    HA   VAL  92           HA       VAL  92   7.265  -0.529  -1.379
  604    HB   VAL  92           HB       VAL  92   7.207  -0.009   1.233
  605   1HG1  VAL  92          HG11      VAL  92   4.621  -0.313   1.022
  606   2HG1  VAL  92          HG12      VAL  92   5.013  -0.558  -0.688
  607   3HG1  VAL  92          HG13      VAL  92   5.465   0.951   0.117
  608   1HG2  VAL  92          HG21      VAL  92   5.911  -2.706   0.962
  609   2HG2  VAL  92          HG22      VAL  92   5.683  -1.622   2.328
  610   3HG2  VAL  92          HG23      VAL  92   7.276  -2.270   1.976
  611    H    ILE  93           HN       ILE  93   9.052   0.756  -1.141
  612    HA   ILE  93           HA       ILE  93  11.331  -0.398   0.311
  613    HB   ILE  93           HB       ILE  93  11.745   1.386  -2.046
  614   1HG1  ILE  93          HG12      ILE  93  11.447  -1.624  -2.136
  615   2HG1  ILE  93          HG11      ILE  93  10.341  -0.461  -2.862
  616   1HG2  ILE  93          HG21      ILE  93  13.408  -0.759  -0.747
  617   2HG2  ILE  93          HG22      ILE  93  13.619   0.983  -0.565
  618   3HG2  ILE  93          HG23      ILE  93  13.898   0.219  -2.131
  619   1HD1  ILE  93          HD11      ILE  93  12.251   0.325  -4.270
  620   2HD1  ILE  93          HD12      ILE  93  11.704  -1.319  -4.591
  621   3HD1  ILE  93          HD13      ILE  93  13.175  -1.045  -3.658
  622    H    VAL  94           HN       VAL  94  11.995   0.782   1.877
  623    HA   VAL  94           HA       VAL  94  11.634   3.702   1.822
  624    HB   VAL  94           HB       VAL  94  10.072   3.107   3.445
  625   1HG1  VAL  94          HG11      VAL  94  10.555   0.720   3.494
  626   2HG1  VAL  94          HG12      VAL  94  10.411   1.357   5.133
  627   3HG1  VAL  94          HG13      VAL  94  12.004   1.017   4.456
  628   1HG2  VAL  94          HG21      VAL  94  12.494   3.279   5.216
  629   2HG2  VAL  94          HG22      VAL  94  10.876   3.924   5.491
  630   3HG2  VAL  94          HG23      VAL  94  11.927   4.661   4.283
  631    H    SER  95           HN       SER  95  13.696   4.213   1.224
  632    HA   SER  95           HA       SER  95  15.842   3.374   3.062
  633   1HB   SER  95          HB2       SER  95  16.011   4.038   0.114
  634   2HB   SER  95          HB1       SER  95  17.406   3.734   1.151
  635    HG   SER  95           HG       SER  95  16.883   1.647   1.275
  636    H    GLN  96           HN       GLN  96  14.032   5.652   3.328
  637    HA   GLN  96           HA       GLN  96  15.961   7.865   3.056
  638   1HB   GLN  96          HB2       GLN  96  12.947   8.037   3.250
  639   2HB   GLN  96          HB1       GLN  96  14.052   9.384   3.018
  640   1HG   GLN  96          HG2       GLN  96  13.744   7.108   1.076
  641   2HG   GLN  96          HG1       GLN  96  12.870   8.634   0.962
  642   1HE2  GLN  96          HE21      GLN  96  15.947   7.058   0.651
  643   2HE2  GLN  96          HE22      GLN  96  16.761   8.354  -0.150
  644    HA   PRO  97           HA       PRO  97  15.806   6.860   7.596
  645   1HB   PRO  97          HB2       PRO  97  18.208   8.608   7.310
  646   2HB   PRO  97          HB1       PRO  97  18.000   7.125   8.249
  647   1HG   PRO  97          HG2       PRO  97  19.345   7.095   5.955
  648   2HG   PRO  97          HG1       PRO  97  18.267   5.757   6.395
  649   1HD   PRO  97          HD2       PRO  97  17.856   7.955   4.422
  650   2HD   PRO  97          HD1       PRO  97  17.315   6.266   4.362
  651    H    VAL  98           HN       VAL  98  16.893  10.008   6.296
  652    HA   VAL  98           HA       VAL  98  14.766  11.333   7.794
  653    HB   VAL  98           HB       VAL  98  16.308  13.022   8.709
  654   1HG1  VAL  98          HG11      VAL  98  17.266  11.636  10.490
  655   2HG1  VAL  98          HG12      VAL  98  16.960  10.192   9.525
  656   3HG1  VAL  98          HG13      VAL  98  15.610  11.162  10.113
  657   1HG2  VAL  98          HG21      VAL  98  18.477  11.181   7.700
  658   2HG2  VAL  98          HG22      VAL  98  18.723  12.584   8.740
  659   3HG2  VAL  98          HG23      VAL  98  18.120  12.799   7.096
  660    H    GLN  99           HN       GLN  99  14.968  10.913   5.040
  661    HA   GLN  99           HA       GLN  99  15.151  13.685   4.118
  662   1HB   GLN  99          HB2       GLN  99  16.238  12.909   2.007
  663   2HB   GLN  99          HB1       GLN  99  17.258  12.762   3.431
  664   1HG   GLN  99          HG2       GLN  99  16.797  10.387   3.552
  665   2HG   GLN  99          HG1       GLN  99  15.700  10.513   2.178
  666   1HE2  GLN  99          HE21      GLN  99  19.012  10.534   3.219
  667   2HE2  GLN  99          HE22      GLN  99  19.720  10.359   1.652
  668    H    ASN 100           HN       ASN 100  14.216  13.833   1.808
  669    HA   ASN 100           HA       ASN 100  11.696  12.341   1.818
  670   1HB   ASN 100          HB2       ASN 100  11.585  14.814   1.783
  671   2HB   ASN 100          HB1       ASN 100  12.462  14.817   0.256
  672   1HD2  ASN 100          HD21      ASN 100   9.801  15.822   0.895
  673   2HD2  ASN 100          HD22      ASN 100   8.714  15.009  -0.174
  Start of MODEL   11
    1    H    GLY  21           H        GLY  21 -20.611  -4.664   5.171
    2   1HA   GLY  21          HA1       GLY  21 -21.746  -4.039   2.500
    3   2HA   GLY  21          HA2       GLY  21 -20.730  -2.966   3.450
    4    H    TYR  22           HN       TYR  22 -19.622  -3.187   1.217
    5    HA   TYR  22           HA       TYR  22 -17.846  -5.527   1.186
    6   1HB   TYR  22          HB2       TYR  22 -19.068  -5.102  -0.895
    7   2HB   TYR  22          HB1       TYR  22 -18.402  -3.474  -0.967
    8    HD1  TYR  22           HD1      TYR  22 -16.230  -3.075  -1.847
    9    HD2  TYR  22           HD2      TYR  22 -17.555  -7.065  -1.197
   10    HE1  TYR  22           HE1      TYR  22 -14.302  -3.917  -3.119
   11    HE2  TYR  22           HE2      TYR  22 -15.629  -7.918  -2.467
   12    HH   TYR  22           HH       TYR  22 -14.062  -7.129  -4.185
   13    H    GLU  23           HN       GLU  23 -15.857  -5.310   1.939
   14    HA   GLU  23           HA       GLU  23 -14.580  -2.657   1.831
   15   1HB   GLU  23          HB2       GLU  23 -14.398  -4.680   4.071
   16   2HB   GLU  23          HB1       GLU  23 -13.475  -3.186   3.980
   17   1HG   GLU  23          HG2       GLU  23 -16.474  -3.387   4.149
   18   2HG   GLU  23          HG1       GLU  23 -15.389  -2.994   5.481
   19    H    CYS  24           HN       CYS  24 -12.330  -2.626   1.514
   20    HA   CYS  24           HA       CYS  24 -11.228  -5.158   0.487
   21   1HB   CYS  24          HB2       CYS  24 -10.423  -2.361  -0.336
   22   2HB   CYS  24          HB1       CYS  24  -9.903  -3.871  -1.070
   23    HG   CYS  24           HG       CYS  24 -12.489  -2.014  -1.816
   24    H    GLN  25           HN       GLN  25  -8.772  -5.218   0.568
   25    HA   GLN  25           HA       GLN  25  -7.398  -3.682   2.516
   26   1HB   GLN  25          HB2       GLN  25  -7.031  -5.488   4.162
   27   2HB   GLN  25          HB1       GLN  25  -8.717  -4.995   4.079
   28   1HG   GLN  25          HG2       GLN  25  -9.044  -6.955   2.491
   29   2HG   GLN  25          HG1       GLN  25  -7.450  -7.495   3.014
   30   1HE2  GLN  25          HE21      GLN  25  -7.867  -6.458   5.742
   31   2HE2  GLN  25          HE22      GLN  25  -8.935  -7.578   6.505
   32    H    LEU  26           HN       LEU  26  -5.281  -3.783   2.094
   33    HA   LEU  26           HA       LEU  26  -4.271  -6.094   0.560
   34   1HB   LEU  26          HB2       LEU  26  -4.701  -3.721  -0.597
   35   2HB   LEU  26          HB1       LEU  26  -3.100  -3.417   0.044
   36    HG   LEU  26           HG       LEU  26  -3.755  -5.752  -1.748
   37   1HD1  LEU  26          HD11      LEU  26  -2.799  -4.501  -3.566
   38   2HD1  LEU  26          HD12      LEU  26  -2.489  -3.130  -2.504
   39   3HD1  LEU  26          HD13      LEU  26  -4.146  -3.594  -2.881
   40   1HD2  LEU  26          HD21      LEU  26  -1.805  -6.301  -0.650
   41   2HD2  LEU  26          HD22      LEU  26  -1.257  -4.630  -0.560
   42   3HD2  LEU  26          HD23      LEU  26  -1.203  -5.496  -2.095
   43    H    ARG  27           HN       ARG  27  -2.212  -6.807   1.019
   44    HA   ARG  27           HA       ARG  27  -1.135  -5.920   3.555
   45   1HB   ARG  27          HB2       ARG  27  -0.293  -8.150   1.698
   46   2HB   ARG  27          HB1       ARG  27   0.415  -7.843   3.275
   47   1HG   ARG  27          HG2       ARG  27  -1.645  -8.368   4.371
   48   2HG   ARG  27          HG1       ARG  27  -2.490  -8.486   2.827
   49   1HD   ARG  27          HD2       ARG  27  -1.982 -10.698   3.677
   50   2HD   ARG  27          HD1       ARG  27  -1.051 -10.383   2.213
   51    HE   ARG  27           HE       ARG  27   0.652  -9.657   4.177
   52   1HH1  ARG  27          HH11      ARG  27  -1.231 -12.543   3.623
   53   2HH1  ARG  27          HH12      ARG  27  -0.096 -13.585   4.415
   54   1HH2  ARG  27          HH21      ARG  27   2.144 -11.026   5.218
   55   2HH2  ARG  27          HH22      ARG  27   1.820 -12.724   5.321
   56    H    LEU  28           HN       LEU  28   0.963  -5.136   3.885
   57    HA   LEU  28           HA       LEU  28   2.354  -4.170   1.464
   58   1HB   LEU  28          HB2       LEU  28   1.931  -2.871   4.134
   59   2HB   LEU  28          HB1       LEU  28   3.318  -2.452   3.166
   60    HG   LEU  28           HG       LEU  28   0.988  -1.121   3.072
   61   1HD1  LEU  28          HD11      LEU  28   3.065  -1.572   0.962
   62   2HD1  LEU  28          HD12      LEU  28   2.922  -0.233   2.104
   63   3HD1  LEU  28          HD13      LEU  28   1.775  -0.387   0.769
   64   1HD2  LEU  28          HD21      LEU  28  -0.253  -3.041   2.172
   65   2HD2  LEU  28          HD22      LEU  28   0.836  -3.083   0.785
   66   3HD2  LEU  28          HD23      LEU  28  -0.215  -1.690   1.039
   67    H    ARG  29           HN       ARG  29   4.621  -4.181   1.494
   68    HA   ARG  29           HA       ARG  29   5.879  -5.670   3.714
   69   1HB   ARG  29          HB2       ARG  29   5.553  -7.228   1.860
   70   2HB   ARG  29          HB1       ARG  29   6.355  -6.116   0.759
   71   1HG   ARG  29          HG2       ARG  29   8.442  -6.385   1.980
   72   2HG   ARG  29          HG1       ARG  29   7.644  -7.468   3.122
   73   1HD   ARG  29          HD2       ARG  29   7.160  -9.029   1.302
   74   2HD   ARG  29          HD1       ARG  29   7.953  -7.946   0.159
   75    HE   ARG  29           HE       ARG  29   9.836  -8.453   2.084
   76   1HH1  ARG  29          HH11      ARG  29   7.924 -10.392  -0.099
   77   2HH1  ARG  29          HH12      ARG  29   9.116 -11.640  -0.234
   78   1HH2  ARG  29          HH21      ARG  29  11.407 -10.093   1.907
   79   2HH2  ARG  29          HH22      ARG  29  11.094 -11.472   0.904
   80    H    LEU  30           HN       LEU  30   7.012  -4.016   4.652
   81    HA   LEU  30           HA       LEU  30   8.343  -2.086   2.957
   82   1HB   LEU  30          HB2       LEU  30   8.049  -2.265   5.914
   83   2HB   LEU  30          HB1       LEU  30   9.002  -1.041   5.136
   84    HG   LEU  30           HG       LEU  30   6.666  -0.387   5.885
   85   1HD1  LEU  30          HD11      LEU  30   7.908   0.152   3.263
   86   2HD1  LEU  30          HD12      LEU  30   7.633   1.221   4.634
   87   3HD1  LEU  30          HD13      LEU  30   6.293   0.783   3.575
   88   1HD2  LEU  30          HD21      LEU  30   5.974  -2.237   3.653
   89   2HD2  LEU  30          HD22      LEU  30   4.968  -0.840   4.006
   90   3HD2  LEU  30          HD23      LEU  30   5.233  -2.066   5.241
   91    H    SER  31           HN       SER  31  10.478  -1.664   2.838
   92    HA   SER  31           HA       SER  31  12.238  -3.797   2.769
   93   1HB   SER  31          HB2       SER  31  14.019  -2.102   2.530
   94   2HB   SER  31          HB1       SER  31  12.619  -1.728   1.525
   95    HG   SER  31           HG       SER  31  11.991  -0.187   3.028
   96    H    THR  32           HN       THR  32  11.197  -1.981   5.502
   97    HA   THR  32           HA       THR  32  13.541  -2.729   7.076
   98    HB   THR  32           HB       THR  32  12.453  -1.506   8.918
   99    HG1  THR  32           HG1      THR  32  10.371  -1.192   8.807
  100   1HG2  THR  32          HG21      THR  32  12.551   0.740   7.936
  101   2HG2  THR  32          HG22      THR  32  12.494   0.035   6.320
  102   3HG2  THR  32          HG23      THR  32  13.881  -0.268   7.366
  103    H    GLY  33           HN       GLY  33  11.170  -4.458   5.938
  104   1HA   GLY  33          HA2       GLY  33  10.418  -6.550   6.578
  105   2HA   GLY  33          HA1       GLY  33  11.145  -6.289   8.167
  106    H    LYS  34           HN       LYS  34   8.890  -4.165   6.470
  107    HA   LYS  34           HA       LYS  34   7.070  -4.506   8.745
  108   1HB   LYS  34          HB2       LYS  34   8.190  -2.219   7.795
  109   2HB   LYS  34          HB1       LYS  34   6.639  -2.206   6.974
  110   1HG   LYS  34          HG2       LYS  34   7.139  -2.314   9.923
  111   2HG   LYS  34          HG1       LYS  34   6.448  -0.975   9.016
  112   1HD   LYS  34          HD2       LYS  34   5.237  -3.702   9.423
  113   2HD   LYS  34          HD1       LYS  34   4.730  -2.205  10.209
  114   1HE   LYS  34          HE2       LYS  34   4.723  -2.625   7.234
  115   2HE   LYS  34          HE1       LYS  34   3.344  -2.916   8.276
  116   1HZ   LYS  34          HZ1       LYS  34   3.081  -0.761   7.405
  117   2HZ   LYS  34          HZ2       LYS  34   4.685  -0.342   7.733
  118   3HZ   LYS  34          HZ3       LYS  34   3.589  -0.543   9.005
  119    H    ASP  35           HN       ASP  35   5.871  -6.218   8.086
  120    HA   ASP  35           HA       ASP  35   4.387  -5.916   5.580
  121   1HB   ASP  35          HB2       ASP  35   3.935  -8.342   5.758
  122   2HB   ASP  35          HB1       ASP  35   5.665  -7.991   5.706
  123    H    LEU  36           HN       LEU  36   2.556  -4.907   5.945
  124    HA   LEU  36           HA       LEU  36   0.725  -5.995   7.933
  125   1HB   LEU  36          HB2       LEU  36   1.894  -4.157   9.078
  126   2HB   LEU  36          HB1       LEU  36   1.417  -3.060   7.797
  127    HG   LEU  36           HG       LEU  36  -0.952  -3.402   8.402
  128   1HD1  LEU  36          HD11      LEU  36   0.176  -5.016  10.684
  129   2HD1  LEU  36          HD12      LEU  36  -0.768  -5.645   9.334
  130   3HD1  LEU  36          HD13      LEU  36  -1.510  -4.539  10.489
  131   1HD2  LEU  36          HD21      LEU  36   0.820  -2.542  10.686
  132   2HD2  LEU  36          HD22      LEU  36  -0.890  -2.148  10.503
  133   3HD2  LEU  36          HD23      LEU  36   0.287  -1.528   9.345
  134    H    LYS  37           HN       LYS  37  -1.439  -5.659   7.464
  135    HA   LYS  37           HA       LYS  37  -1.940  -4.707   4.735
  136   1HB   LYS  37          HB2       LYS  37  -2.615  -6.911   4.761
  137   2HB   LYS  37          HB1       LYS  37  -3.147  -6.843   6.429
  138   1HG   LYS  37          HG2       LYS  37  -5.056  -5.387   5.614
  139   2HG   LYS  37          HG1       LYS  37  -4.563  -5.832   3.979
  140   1HD   LYS  37          HD2       LYS  37  -6.363  -7.272   4.785
  141   2HD   LYS  37          HD1       LYS  37  -4.881  -8.193   4.527
  142   1HE   LYS  37          HE2       LYS  37  -6.159  -8.694   6.656
  143   2HE   LYS  37          HE1       LYS  37  -4.443  -8.332   6.840
  144   1HZ   LYS  37          HZ1       LYS  37  -5.796  -7.191   8.495
  145   2HZ   LYS  37          HZ2       LYS  37  -6.663  -6.404   7.275
  146   3HZ   LYS  37          HZ3       LYS  37  -5.016  -6.082   7.483
  147    H    LEU  38           HN       LEU  38  -3.016  -2.908   4.455
  148    HA   LEU  38           HA       LEU  38  -4.452  -1.729   6.714
  149   1HB   LEU  38          HB2       LEU  38  -2.985  -0.129   5.866
  150   2HB   LEU  38          HB1       LEU  38  -3.221  -0.658   4.208
  151    HG   LEU  38           HG       LEU  38  -5.616   0.291   4.456
  152   1HD1  LEU  38          HD11      LEU  38  -5.469   0.576   6.915
  153   2HD1  LEU  38          HD12      LEU  38  -5.881   2.063   6.062
  154   3HD1  LEU  38          HD13      LEU  38  -4.243   1.818   6.666
  155   1HD2  LEU  38          HD21      LEU  38  -4.058   1.280   2.982
  156   2HD2  LEU  38          HD22      LEU  38  -3.137   1.984   4.310
  157   3HD2  LEU  38          HD23      LEU  38  -4.756   2.582   3.942
  158    H    VAL  39           HN       VAL  39  -6.573  -0.956   6.500
  159    HA   VAL  39           HA       VAL  39  -8.221  -2.506   4.706
  160    HB   VAL  39           HB       VAL  39 -10.125  -1.507   5.886
  161   1HG1  VAL  39          HG11      VAL  39  -9.084  -3.493   6.819
  162   2HG1  VAL  39          HG12      VAL  39  -9.676  -2.444   8.107
  163   3HG1  VAL  39          HG13      VAL  39  -7.954  -2.493   7.731
  164   1HG2  VAL  39          HG21      VAL  39  -9.399   0.708   6.335
  165   2HG2  VAL  39          HG22      VAL  39  -8.003   0.139   7.247
  166   3HG2  VAL  39          HG23      VAL  39  -9.627  -0.071   7.900
  167    H    VAL  40           HN       VAL  40  -8.667  -1.855   2.730
  168    HA   VAL  40           HA       VAL  40  -8.910   1.031   2.194
  169    HB   VAL  40           HB       VAL  40  -8.174   0.477  -0.158
  170   1HG1  VAL  40          HG11      VAL  40  -5.826   0.543   0.368
  171   2HG1  VAL  40          HG12      VAL  40  -6.134  -0.075   1.992
  172   3HG1  VAL  40          HG13      VAL  40  -6.706   1.529   1.536
  173   1HG2  VAL  40          HG21      VAL  40  -8.480  -1.851  -0.314
  174   2HG2  VAL  40          HG22      VAL  40  -7.574  -2.146   1.175
  175   3HG2  VAL  40          HG23      VAL  40  -6.730  -1.617  -0.277
  176    H    ARG  41           HN       ARG  41 -10.192   1.390   0.086
  177    HA   ARG  41           HA       ARG  41 -12.200  -0.574  -0.478
  178   1HB   ARG  41          HB2       ARG  41 -13.116   0.362   1.557
  179   2HB   ARG  41          HB1       ARG  41 -12.930   1.991   0.927
  180   1HG   ARG  41          HG2       ARG  41 -14.565   1.447  -0.848
  181   2HG   ARG  41          HG1       ARG  41 -14.800  -0.134  -0.098
  182   1HD   ARG  41          HD2       ARG  41 -15.441   1.049   2.006
  183   2HD   ARG  41          HD1       ARG  41 -15.377   2.566   1.110
  184    HE   ARG  41           HE       ARG  41 -17.058   0.938  -0.329
  185   1HH1  ARG  41          HH11      ARG  41 -16.969   2.203   2.923
  186   2HH1  ARG  41          HH12      ARG  41 -18.692   2.227   3.095
  187   1HH2  ARG  41          HH21      ARG  41 -19.324   0.970  -0.105
  188   2HH2  ARG  41          HH22      ARG  41 -20.030   1.526   1.376
  189    H    SER  42           HN       SER  42 -11.568  -0.419  -2.588
  190    HA   SER  42           HA       SER  42 -11.304   0.380  -4.696
  191   1HB   SER  42          HB2       SER  42 -13.648   0.016  -4.732
  192   2HB   SER  42          HB1       SER  42 -13.965   1.517  -3.862
  193    HG   SER  42           HG       SER  42 -14.355   1.967  -5.971
  194    H    THR  43           HN       THR  43 -12.372   3.152  -2.697
  195    HA   THR  43           HA       THR  43 -10.923   4.959  -4.442
  196    HB   THR  43           HB       THR  43 -12.488   5.581  -1.926
  197    HG1  THR  43           HG1      THR  43 -14.061   5.012  -3.276
  198   1HG2  THR  43          HG21      THR  43 -12.550   7.876  -2.895
  199   2HG2  THR  43          HG22      THR  43 -11.413   7.341  -4.132
  200   3HG2  THR  43          HG23      THR  43 -10.931   7.348  -2.436
  201    H    ASP  44           HN       ASP  44 -10.280   3.070  -1.734
  202    HA   ASP  44           HA       ASP  44  -8.262   4.908  -0.684
  203   1HB   ASP  44          HB2       ASP  44  -9.955   3.042   0.531
  204   2HB   ASP  44          HB1       ASP  44  -8.351   2.317   0.617
  205    H    THR  45           HN       THR  45  -7.893   3.759  -3.294
  206    HA   THR  45           HA       THR  45  -6.255   1.521  -3.462
  207    HB   THR  45           HB       THR  45  -5.401   2.454  -5.545
  208    HG1  THR  45           HG1      THR  45  -6.631   4.865  -4.644
  209   1HG2  THR  45          HG21      THR  45  -8.259   2.503  -4.848
  210   2HG2  THR  45          HG22      THR  45  -7.425   1.646  -6.145
  211   3HG2  THR  45          HG23      THR  45  -7.834   3.352  -6.336
  212    H    VAL  46           HN       VAL  46  -3.875   1.670  -4.152
  213    HA   VAL  46           HA       VAL  46  -2.149   1.953  -2.206
  214    HB   VAL  46           HB       VAL  46  -1.817   2.354  -5.111
  215   1HG1  VAL  46          HG11      VAL  46   0.620   2.765  -4.844
  216   2HG1  VAL  46          HG12      VAL  46   0.328   3.117  -3.139
  217   3HG1  VAL  46          HG13      VAL  46  -0.392   4.134  -4.389
  218   1HG2  VAL  46          HG21      VAL  46  -1.787   0.132  -4.140
  219   2HG2  VAL  46          HG22      VAL  46  -0.486   0.591  -3.040
  220   3HG2  VAL  46          HG23      VAL  46  -0.192   0.520  -4.777
  221    H    PHE  47           HN       PHE  47  -3.468   4.780  -3.839
  222    HA   PHE  47           HA       PHE  47  -1.610   6.664  -2.790
  223   1HB   PHE  47          HB2       PHE  47  -3.087   7.197  -4.679
  224   2HB   PHE  47          HB1       PHE  47  -4.493   7.066  -3.632
  225    HD1  PHE  47           HD1      PHE  47  -1.625   9.112  -4.581
  226    HD2  PHE  47           HD2      PHE  47  -4.987   8.785  -1.993
  227    HE1  PHE  47           HE1      PHE  47  -1.414  11.496  -4.013
  228    HE2  PHE  47           HE2      PHE  47  -4.784  11.169  -1.421
  229    HZ   PHE  47           HZ       PHE  47  -2.995  12.528  -2.432
  230    H    HIS  48           HN       HIS  48  -4.996   6.061  -1.815
  231    HA   HIS  48           HA       HIS  48  -4.654   7.330   0.692
  232   1HB   HIS  48          HB2       HIS  48  -6.654   5.217  -0.112
  233   2HB   HIS  48          HB1       HIS  48  -6.742   6.226   1.331
  234    HD1  HIS  48           HD1      HIS  48  -6.792   6.606  -2.448
  235    HD2  HIS  48           HD2      HIS  48  -8.069   8.577   0.981
  236    HE1  HIS  48           HE1      HIS  48  -8.164   8.549  -3.262
  237    HE2  HIS  48           HE2      HIS  48  -9.003   9.672  -1.168
  238    H    MET  49           HN       MET  49  -4.466   4.006  -0.459
  239    HA   MET  49           HA       MET  49  -3.990   2.644   1.842
  240   1HB   MET  49          HB2       MET  49  -3.903   1.900  -0.714
  241   2HB   MET  49          HB1       MET  49  -2.175   2.068  -0.437
  242   1HG   MET  49          HG2       MET  49  -4.048   0.296   1.110
  243   2HG   MET  49          HG1       MET  49  -2.872  -0.221  -0.093
  244   1HE   MET  49          HE1       MET  49   0.498   0.769   1.710
  245   2HE   MET  49          HE2       MET  49  -0.463   1.836   0.685
  246   3HE   MET  49          HE3       MET  49  -0.222   0.150   0.223
  247    H    LYS  50           HN       LYS  50  -1.875   4.613  -0.082
  248    HA   LYS  50           HA       LYS  50   0.488   4.293   1.478
  249   1HB   LYS  50          HB2       LYS  50   0.663   4.936  -0.845
  250   2HB   LYS  50          HB1       LYS  50  -0.362   6.333  -0.591
  251   1HG   LYS  50          HG2       LYS  50   2.198   6.093   0.893
  252   2HG   LYS  50          HG1       LYS  50   2.211   6.604  -0.786
  253   1HD   LYS  50          HD2       LYS  50   0.704   7.943   1.461
  254   2HD   LYS  50          HD1       LYS  50   2.180   8.532   0.705
  255   1HE   LYS  50          HE2       LYS  50   0.954   8.625  -1.462
  256   2HE   LYS  50          HE1       LYS  50  -0.520   8.210  -0.591
  257   1HZ   LYS  50          HZ1       LYS  50   1.151  10.612  -0.093
  258   2HZ   LYS  50          HZ2       LYS  50  -0.277  10.216   0.722
  259   3HZ   LYS  50          HZ3       LYS  50  -0.322  10.593  -0.926
  260    H    ARG  51           HN       ARG  51  -2.223   6.534   1.386
  261    HA   ARG  51           HA       ARG  51  -1.290   8.527   3.032
  262   1HB   ARG  51          HB2       ARG  51  -4.054   7.410   2.680
  263   2HB   ARG  51          HB1       ARG  51  -3.739   8.747   3.770
  264   1HG   ARG  51          HG2       ARG  51  -3.023   8.773   0.850
  265   2HG   ARG  51          HG1       ARG  51  -4.538   9.402   1.502
  266   1HD   ARG  51          HD2       ARG  51  -1.779  10.337   2.283
  267   2HD   ARG  51          HD1       ARG  51  -2.854  11.166   1.158
  268    HE   ARG  51           HE       ARG  51  -4.063  10.706   3.712
  269   1HH1  ARG  51          HH11      ARG  51  -1.950  12.832   1.924
  270   2HH1  ARG  51          HH12      ARG  51  -2.271  14.204   2.932
  271   1HH2  ARG  51          HH21      ARG  51  -4.485  12.508   5.039
  272   2HH2  ARG  51          HH22      ARG  51  -3.709  14.018   4.702
  273    H    ARG  52           HN       ARG  52  -3.219   5.725   3.987
  274    HA   ARG  52           HA       ARG  52  -2.729   6.051   6.773
  275   1HB   ARG  52          HB2       ARG  52  -3.716   3.597   5.314
  276   2HB   ARG  52          HB1       ARG  52  -3.869   3.918   7.033
  277   1HG   ARG  52          HG2       ARG  52  -5.150   5.554   4.855
  278   2HG   ARG  52          HG1       ARG  52  -5.958   4.292   5.788
  279   1HD   ARG  52          HD2       ARG  52  -4.704   6.777   6.949
  280   2HD   ARG  52          HD1       ARG  52  -6.426   6.564   6.635
  281    HE   ARG  52           HE       ARG  52  -5.283   4.532   8.322
  282   1HH1  ARG  52          HH11      ARG  52  -6.754   7.697   8.235
  283   2HH1  ARG  52          HH12      ARG  52  -7.301   7.625   9.877
  284   1HH2  ARG  52          HH21      ARG  52  -6.005   4.436  10.482
  285   2HH2  ARG  52          HH22      ARG  52  -6.876   5.775  11.152
  286    H    LEU  53           HN       LEU  53  -1.075   4.522   4.146
  287    HA   LEU  53           HA       LEU  53   0.417   2.569   5.439
  288   1HB   LEU  53          HB2       LEU  53   0.385   3.059   2.972
  289   2HB   LEU  53          HB1       LEU  53   1.451   4.409   3.288
  290    HG   LEU  53           HG       LEU  53   3.199   2.930   4.022
  291   1HD1  LEU  53          HD11      LEU  53   1.198   0.718   3.625
  292   2HD1  LEU  53          HD12      LEU  53   1.872   1.261   5.161
  293   3HD1  LEU  53          HD13      LEU  53   2.913   0.489   3.966
  294   1HD2  LEU  53          HD21      LEU  53   3.108   3.311   1.655
  295   2HD2  LEU  53          HD22      LEU  53   1.921   2.025   1.454
  296   3HD2  LEU  53          HD23      LEU  53   3.568   1.634   1.946
  297    H    HIS  54           HN       HIS  54   1.233   5.991   4.921
  298    HA   HIS  54           HA       HIS  54   3.537   5.986   6.521
  299   1HB   HIS  54          HB2       HIS  54   3.645   8.211   6.026
  300   2HB   HIS  54          HB1       HIS  54   2.441   7.762   4.823
  301    HD1  HIS  54           HD1      HIS  54   2.424   9.000   8.434
  302    HD2  HIS  54           HD2      HIS  54   0.295   9.390   4.887
  303    HE1  HIS  54           HE1      HIS  54   0.621  10.684   8.915
  304    HE2  HIS  54           HE2      HIS  54  -0.598  10.971   6.729
  305    H    ALA  55           HN       ALA  55   0.145   6.754   7.180
  306    HA   ALA  55           HA       ALA  55   0.370   7.623   9.808
  307   1HB   ALA  55          HB1       ALA  55  -1.878   6.006   8.618
  308   2HB   ALA  55          HB2       ALA  55  -1.688   7.754   8.489
  309   3HB   ALA  55          HB3       ALA  55  -1.968   7.011  10.064
  310    H    ALA  56           HN       ALA  56   0.200   4.291   8.583
  311    HA   ALA  56           HA       ALA  56   0.037   3.123  11.187
  312   1HB   ALA  56          HB1       ALA  56   0.765   1.840   8.560
  313   2HB   ALA  56          HB2       ALA  56  -0.868   2.015   9.202
  314   3HB   ALA  56          HB3       ALA  56   0.306   1.001  10.042
  315    H    GLU  57           HN       GLU  57   2.665   3.187   8.757
  316    HA   GLU  57           HA       GLU  57   4.522   2.228  10.782
  317   1HB   GLU  57          HB2       GLU  57   6.132   2.496   8.684
  318   2HB   GLU  57          HB1       GLU  57   5.088   1.102   8.898
  319   1HG   GLU  57          HG2       GLU  57   3.466   2.027   7.375
  320   2HG   GLU  57          HG1       GLU  57   4.401   3.512   7.232
  321    H    GLY  58           HN       GLY  58   4.426   5.001   8.516
  322   1HA   GLY  58          HA2       GLY  58   4.880   7.153   9.854
  323   2HA   GLY  58          HA1       GLY  58   6.389   6.337  10.258
  324    H    VAL  59           HN       VAL  59   5.827   5.301   7.237
  325    HA   VAL  59           HA       VAL  59   7.619   7.253   6.058
  326    HB   VAL  59           HB       VAL  59   6.406   4.721   4.930
  327   1HG1  VAL  59          HG11      VAL  59   7.323   5.195   2.971
  328   2HG1  VAL  59          HG12      VAL  59   8.878   5.535   3.724
  329   3HG1  VAL  59          HG13      VAL  59   7.671   6.812   3.582
  330   1HG2  VAL  59          HG21      VAL  59   9.119   5.228   6.140
  331   2HG2  VAL  59          HG22      VAL  59   8.624   3.737   5.339
  332   3HG2  VAL  59          HG23      VAL  59   7.829   4.243   6.829
  333    H    GLU  60           HN       GLU  60   6.391   9.102   5.698
  334    HA   GLU  60           HA       GLU  60   4.001   8.831   4.035
  335   1HB   GLU  60          HB2       GLU  60   3.339  11.015   4.745
  336   2HB   GLU  60          HB1       GLU  60   3.805  10.094   6.164
  337   1HG   GLU  60          HG2       GLU  60   5.840  11.274   6.378
  338   2HG   GLU  60          HG1       GLU  60   5.652  12.018   4.790
  339    HA   PRO  61           HA       PRO  61   6.798  12.077   1.675
  340   1HB   PRO  61          HB2       PRO  61   9.453  10.852   2.060
  341   2HB   PRO  61          HB1       PRO  61   8.979  12.551   2.136
  342   1HG   PRO  61          HG2       PRO  61   9.630  11.178   4.343
  343   2HG   PRO  61          HG1       PRO  61   8.362  12.418   4.355
  344   1HD   PRO  61          HD2       PRO  61   8.095   9.435   4.266
  345   2HD   PRO  61          HD1       PRO  61   7.162  10.625   5.192
  346    H    GLY  62           HN       GLY  62   8.978  11.244   0.030
  347   1HA   GLY  62          HA2       GLY  62   7.602   9.507  -1.762
  348   2HA   GLY  62          HA1       GLY  62   9.247  10.097  -1.950
  349    H    SER  63           HN       SER  63   9.193   8.752   1.031
  350    HA   SER  63           HA       SER  63  10.734   6.514   0.292
  351   1HB   SER  63          HB2       SER  63   9.452   7.307   2.907
  352   2HB   SER  63          HB1       SER  63  10.518   5.914   2.728
  353    HG   SER  63           HG       SER  63  11.226   8.572   2.038
  354    H    GLN  64           HN       GLN  64   7.437   6.876   0.012
  355    HA   GLN  64           HA       GLN  64   6.875   4.070   0.626
  356   1HB   GLN  64          HB2       GLN  64   4.968   6.262  -0.218
  357   2HB   GLN  64          HB1       GLN  64   4.523   4.653   0.333
  358   1HG   GLN  64          HG2       GLN  64   5.108   5.101   2.533
  359   2HG   GLN  64          HG1       GLN  64   6.113   6.484   2.082
  360   1HE2  GLN  64          HE21      GLN  64   3.055   5.424   3.066
  361   2HE2  GLN  64          HE22      GLN  64   2.225   6.935   2.960
  362    H    ARG  65           HN       ARG  65   8.368   3.592  -1.274
  363    HA   ARG  65           HA       ARG  65   7.280   4.081  -3.904
  364   1HB   ARG  65          HB2       ARG  65   9.598   2.409  -2.937
  365   2HB   ARG  65          HB1       ARG  65   9.159   2.568  -4.631
  366   1HG   ARG  65          HG2       ARG  65   9.960   4.833  -2.815
  367   2HG   ARG  65          HG1       ARG  65  10.999   4.053  -4.010
  368   1HD   ARG  65          HD2       ARG  65   9.430   4.733  -5.782
  369   2HD   ARG  65          HD1       ARG  65   8.447   5.559  -4.573
  370    HE   ARG  65           HE       ARG  65  11.014   6.577  -4.348
  371   1HH1  ARG  65          HH11      ARG  65   8.499   6.452  -6.766
  372   2HH1  ARG  65          HH12      ARG  65   8.969   7.942  -7.511
  373   1HH2  ARG  65          HH21      ARG  65  11.633   8.538  -5.329
  374   2HH2  ARG  65          HH22      ARG  65  10.749   9.126  -6.696
  375    H    TRP  66           HN       TRP  66   5.342   3.090  -4.168
  376    HA   TRP  66           HA       TRP  66   4.787   0.440  -3.227
  377   1HB   TRP  66          HB2       TRP  66   3.116   1.697  -5.360
  378   2HB   TRP  66          HB1       TRP  66   2.621   0.795  -3.932
  379    HD1  TRP  66           HD1      TRP  66   3.086   2.246  -1.516
  380    HE1  TRP  66           HE1      TRP  66   2.567   4.724  -1.086
  381    HE3  TRP  66           HE3      TRP  66   2.854   3.876  -6.353
  382    HZ2  TRP  66           HZ2      TRP  66   2.108   7.073  -2.603
  383    HZ3  TRP  66           HZ3      TRP  66   2.369   6.250  -6.778
  384    HH2  TRP  66           HH2      TRP  66   2.004   7.814  -4.940
  385    H    PHE  67           HN       PHE  67   4.974  -1.451  -4.254
  386    HA   PHE  67           HA       PHE  67   5.189  -1.642  -7.115
  387   1HB   PHE  67          HB2       PHE  67   7.553  -2.088  -5.323
  388   2HB   PHE  67          HB1       PHE  67   7.400  -2.975  -6.836
  389    HD1  PHE  67           HD1      PHE  67   7.913   0.322  -5.320
  390    HD2  PHE  67           HD2      PHE  67   7.650  -1.876  -8.955
  391    HE1  PHE  67           HE1      PHE  67   8.884   2.226  -6.540
  392    HE2  PHE  67           HE2      PHE  67   8.620   0.023 -10.179
  393    HZ   PHE  67           HZ       PHE  67   9.239   2.078  -8.971
  394    H    PHE  68           HN       PHE  68   4.079  -3.395  -7.677
  395    HA   PHE  68           HA       PHE  68   3.893  -5.624  -5.764
  396   1HB   PHE  68          HB2       PHE  68   1.744  -4.537  -6.318
  397   2HB   PHE  68          HB1       PHE  68   2.016  -4.898  -8.020
  398    HD1  PHE  68           HD1      PHE  68   0.661  -6.069  -4.949
  399    HD2  PHE  68           HD2      PHE  68   2.245  -7.352  -8.684
  400    HE1  PHE  68           HE1      PHE  68  -0.439  -8.250  -4.662
  401    HE2  PHE  68           HE2      PHE  68   1.148  -9.535  -8.405
  402    HZ   PHE  68           HZ       PHE  68  -0.198  -9.987  -6.391
  403    H    SER  69           HN       SER  69   5.167  -7.276  -6.264
  404    HA   SER  69           HA       SER  69   6.235  -8.910  -7.429
  405   1HB   SER  69          HB2       SER  69   4.249  -8.211  -9.604
  406   2HB   SER  69          HB1       SER  69   5.264  -9.652  -9.571
  407    HG   SER  69           HG       SER  69   4.208 -10.194  -7.574
  408    H    GLY  70           HN       GLY  70   6.739  -5.840  -7.890
  409   1HA   GLY  70          HA2       GLY  70   8.892  -5.139  -8.719
  410   2HA   GLY  70          HA1       GLY  70   8.716  -6.305 -10.028
  411    H    ARG  71           HN       ARG  71   5.821  -4.676  -9.440
  412    HA   ARG  71           HA       ARG  71   6.401  -2.776 -11.617
  413   1HB   ARG  71          HB2       ARG  71   3.775  -4.124 -10.956
  414   2HB   ARG  71          HB1       ARG  71   4.028  -2.961 -12.249
  415   1HG   ARG  71          HG2       ARG  71   5.550  -4.499 -13.359
  416   2HG   ARG  71          HG1       ARG  71   5.348  -5.661 -12.046
  417   1HD   ARG  71          HD2       ARG  71   2.963  -5.826 -12.560
  418   2HD   ARG  71          HD1       ARG  71   3.161  -4.660 -13.867
  419    HE   ARG  71           HE       ARG  71   4.926  -6.821 -14.252
  420   1HH1  ARG  71          HH11      ARG  71   1.526  -6.048 -14.403
  421   2HH1  ARG  71          HH12      ARG  71   1.178  -7.250 -15.600
  422   1HH2  ARG  71          HH21      ARG  71   4.471  -8.402 -15.827
  423   2HH2  ARG  71          HH22      ARG  71   2.849  -8.588 -16.407
  424    HA   PRO  72           HA       PRO  72   5.448   0.318  -8.562
  425   1HB   PRO  72          HB2       PRO  72   5.181   2.451 -10.223
  426   2HB   PRO  72          HB1       PRO  72   6.750   1.763  -9.790
  427   1HG   PRO  72          HG2       PRO  72   5.112   1.339 -12.260
  428   2HG   PRO  72          HG1       PRO  72   6.859   1.603 -12.108
  429   1HD   PRO  72          HD2       PRO  72   5.789  -0.854 -12.475
  430   2HD   PRO  72          HD1       PRO  72   7.267  -0.592 -11.527
  431    H    LEU  73           HN       LEU  73   3.518   0.370  -7.592
  432    HA   LEU  73           HA       LEU  73   1.084   0.177  -9.113
  433   1HB   LEU  73          HB2       LEU  73   1.792   0.236  -6.228
  434   2HB   LEU  73          HB1       LEU  73   0.148   0.647  -6.677
  435   1HD1  LEU  73          HD21      LEU  73   2.264  -2.626  -6.351
  436   2HD1  LEU  73          HD22      LEU  73   2.699  -1.605  -7.719
  437   3HD1  LEU  73          HD23      LEU  73   1.689  -3.027  -7.968
  438   1HD2  LEU  73          HD11      LEU  73   0.410  -1.381  -4.940
  439   2HD2  LEU  73          HD12      LEU  73  -0.011  -2.903  -5.724
  440   3HD2  LEU  73          HD13      LEU  73  -1.087  -1.512  -5.859
  441    H    THR  74           HN       THR  74  -0.763   1.628  -8.749
  442    HA   THR  74           HA       THR  74   0.073   4.440  -8.517
  443    HB   THR  74           HB       THR  74  -0.346   3.889 -10.864
  444    HG1  THR  74           HG1      THR  74  -1.568   5.665 -11.214
  445   1HG2  THR  74          HG21      THR  74  -2.569   3.241 -11.631
  446   2HG2  THR  74          HG22      THR  74  -3.142   3.188  -9.964
  447   3HG2  THR  74          HG23      THR  74  -1.924   2.037 -10.514
  448    H    ASP  75           HN       ASP  75  -2.275   5.701  -8.634
  449    HA   ASP  75           HA       ASP  75  -3.508   5.030  -6.104
  450   1HB   ASP  75          HB2       ASP  75  -4.551   7.232  -6.267
  451   2HB   ASP  75          HB1       ASP  75  -2.823   7.353  -6.579
  452    H    LYS  76           HN       LYS  76  -4.078   3.253  -8.256
  453    HA   LYS  76           HA       LYS  76  -6.964   3.347  -8.178
  454   1HB   LYS  76          HB2       LYS  76  -5.428   3.441 -10.778
  455   2HB   LYS  76          HB1       LYS  76  -7.127   3.002 -10.667
  456   1HG   LYS  76          HG2       LYS  76  -5.975   5.643  -9.786
  457   2HG   LYS  76          HG1       LYS  76  -6.754   5.348 -11.340
  458   1HD   LYS  76          HD2       LYS  76  -8.228   4.642  -8.850
  459   2HD   LYS  76          HD1       LYS  76  -8.097   6.342  -9.300
  460   1HE   LYS  76          HE2       LYS  76 -10.151   5.315 -10.166
  461   2HE   LYS  76          HE1       LYS  76  -9.094   5.876 -11.461
  462   1HZ   LYS  76          HZ1       LYS  76 -10.111   3.628 -11.786
  463   2HZ   LYS  76          HZ2       LYS  76  -9.139   3.065 -10.522
  464   3HZ   LYS  76          HZ3       LYS  76  -8.426   3.677 -11.928
  465    H    MET  77           HN       MET  77  -4.697   1.703  -7.228
  466    HA   MET  77           HA       MET  77  -4.855  -0.741  -8.739
  467   1HB   MET  77          HB2       MET  77  -3.539  -0.178  -6.086
  468   2HB   MET  77          HB1       MET  77  -3.341  -1.646  -7.032
  469   1HG   MET  77          HG2       MET  77  -2.473   1.130  -7.793
  470   2HG   MET  77          HG1       MET  77  -1.444  -0.228  -7.352
  471   1HE   MET  77          HE1       MET  77  -2.933  -2.627  -8.849
  472   2HE   MET  77          HE2       MET  77  -1.181  -2.430  -8.845
  473   3HE   MET  77          HE3       MET  77  -2.037  -2.676 -10.367
  474    H    LYS  78           HN       LYS  78  -6.064   0.379  -5.579
  475    HA   LYS  78           HA       LYS  78  -6.906  -2.083  -4.637
  476   1HB   LYS  78          HB2       LYS  78  -7.689   0.700  -4.040
  477   2HB   LYS  78          HB1       LYS  78  -8.722  -0.588  -3.448
  478   1HG   LYS  78          HG2       LYS  78  -6.866   0.248  -1.902
  479   2HG   LYS  78          HG1       LYS  78  -7.063  -1.493  -2.103
  480   1HD   LYS  78          HD2       LYS  78  -5.246  -1.491  -3.764
  481   2HD   LYS  78          HD1       LYS  78  -5.029   0.238  -3.510
  482   1HE   LYS  78          HE2       LYS  78  -4.587  -0.261  -1.101
  483   2HE   LYS  78          HE1       LYS  78  -4.604  -1.974  -1.516
  484   1HZ   LYS  78          HZ1       LYS  78  -2.676   0.098  -2.360
  485   2HZ   LYS  78          HZ2       LYS  78  -2.831  -1.351  -3.212
  486   3HZ   LYS  78          HZ3       LYS  78  -2.368  -1.375  -1.586
  487    H    PHE  79           HN       PHE  79  -8.943   0.375  -6.200
  488    HA   PHE  79           HA       PHE  79 -11.191  -1.301  -6.363
  489   1HB   PHE  79          HB2       PHE  79 -11.385   1.132  -6.453
  490   2HB   PHE  79          HB1       PHE  79 -10.503   1.167  -7.972
  491    HD1  PHE  79           HD1      PHE  79 -11.851   1.693  -9.739
  492    HD2  PHE  79           HD2      PHE  79 -13.388  -0.811  -6.661
  493    HE1  PHE  79           HE1      PHE  79 -13.965   1.475 -10.978
  494    HE2  PHE  79           HE2      PHE  79 -15.506  -1.035  -7.894
  495    HZ   PHE  79           HZ       PHE  79 -15.797   0.109 -10.056
  496    H    GLU  80           HN       GLU  80  -8.337  -1.198  -8.342
  497    HA   GLU  80           HA       GLU  80  -9.778  -2.360 -10.605
  498   1HB   GLU  80          HB2       GLU  80  -7.798  -2.101 -11.906
  499   2HB   GLU  80          HB1       GLU  80  -8.049  -0.611 -11.011
  500   1HG   GLU  80          HG2       GLU  80  -5.770  -0.993 -10.857
  501   2HG   GLU  80          HG1       GLU  80  -6.406  -1.561  -9.319
  502    H    GLU  81           HN       GLU  81  -8.079  -3.394  -7.877
  503    HA   GLU  81           HA       GLU  81  -7.296  -5.931  -9.080
  504   1HB   GLU  81          HB2       GLU  81  -5.979  -4.443  -7.290
  505   2HB   GLU  81          HB1       GLU  81  -6.957  -5.385  -6.176
  506   1HG   GLU  81          HG2       GLU  81  -5.061  -6.480  -8.241
  507   2HG   GLU  81          HG1       GLU  81  -4.779  -6.401  -6.503
  508    H    LEU  82           HN       LEU  82  -8.862  -4.926  -6.079
  509    HA   LEU  82           HA       LEU  82 -10.753  -5.559  -5.027
  510   1HB   LEU  82          HB2       LEU  82 -11.394  -7.115  -7.529
  511   2HB   LEU  82          HB1       LEU  82 -12.483  -6.761  -6.218
  512    HG   LEU  82           HG       LEU  82 -13.119  -5.243  -7.839
  513   1HD1  LEU  82          HD11      LEU  82 -11.110  -3.775  -6.139
  514   2HD1  LEU  82          HD12      LEU  82 -12.784  -4.125  -5.709
  515   3HD1  LEU  82          HD13      LEU  82 -12.428  -3.036  -7.050
  516   1HD2  LEU  82          HD21      LEU  82 -10.320  -4.347  -8.358
  517   2HD2  LEU  82          HD22      LEU  82 -11.750  -4.176  -9.375
  518   3HD2  LEU  82          HD23      LEU  82 -10.985  -5.753  -9.183
  519    H    LYS  83           HN       LYS  83  -8.497  -7.795  -6.271
  520    HA   LYS  83           HA       LYS  83  -9.526  -9.929  -4.558
  521   1HB   LYS  83          HB2       LYS  83  -7.224 -10.305  -6.420
  522   2HB   LYS  83          HB1       LYS  83  -8.414 -11.475  -5.889
  523   1HG   LYS  83          HG2       LYS  83  -9.153  -9.187  -7.676
  524   2HG   LYS  83          HG1       LYS  83  -8.488 -10.692  -8.318
  525   1HD   LYS  83          HD2       LYS  83 -10.773 -11.063  -8.441
  526   2HD   LYS  83          HD1       LYS  83 -10.344 -11.819  -6.904
  527   1HE   LYS  83          HE2       LYS  83 -11.000  -9.739  -5.753
  528   2HE   LYS  83          HE1       LYS  83 -11.536  -9.082  -7.296
  529   1HZ   LYS  83          HZ1       LYS  83 -12.622 -11.514  -5.979
  530   2HZ   LYS  83          HZ2       LYS  83 -13.136 -10.889  -7.465
  531   3HZ   LYS  83          HZ3       LYS  83 -13.382 -10.003  -6.045
  532    H    ILE  84           HN       ILE  84  -8.186  -7.591  -3.517
  533    HA   ILE  84           HA       ILE  84  -5.546  -8.482  -2.761
  534    HB   ILE  84           HB       ILE  84  -5.419  -6.359  -1.495
  535   1HG1  ILE  84          HG12      ILE  84  -8.148  -5.847  -2.697
  536   2HG1  ILE  84          HG11      ILE  84  -7.819  -6.117  -0.988
  537   1HG2  ILE  84          HG21      ILE  84  -4.570  -6.374  -3.715
  538   2HG2  ILE  84          HG22      ILE  84  -5.498  -4.886  -3.525
  539   3HG2  ILE  84          HG23      ILE  84  -6.190  -6.251  -4.401
  540   1HD1  ILE  84          HD11      ILE  84  -8.130  -3.728  -1.674
  541   2HD1  ILE  84          HD12      ILE  84  -6.610  -3.860  -2.557
  542   3HD1  ILE  84          HD13      ILE  84  -6.636  -4.077  -0.807
  543    HA   PRO  85           HA       PRO  85  -8.365  -8.533   1.423
  544   1HB   PRO  85          HB2       PRO  85  -9.919 -10.735   0.117
  545   2HB   PRO  85          HB1       PRO  85 -10.414  -9.617   1.395
  546   1HG   PRO  85          HG2       PRO  85 -11.210  -9.210  -1.099
  547   2HG   PRO  85          HG1       PRO  85 -10.699  -7.845  -0.088
  548   1HD   PRO  85          HD2       PRO  85  -9.272  -9.182  -2.331
  549   2HD   PRO  85          HD1       PRO  85  -9.244  -7.479  -1.831
  550    H    LYS  86           HN       LYS  86  -6.257  -9.275   1.979
  551    HA   LYS  86           HA       LYS  86  -4.741 -10.772   2.764
  552   1HB   LYS  86          HB2       LYS  86  -7.242 -12.447   2.879
  553   2HB   LYS  86          HB1       LYS  86  -5.694 -13.017   3.482
  554   1HG   LYS  86          HG2       LYS  86  -7.017 -10.489   4.432
  555   2HG   LYS  86          HG1       LYS  86  -7.229 -12.059   5.208
  556   1HD   LYS  86          HD2       LYS  86  -4.460 -11.083   4.711
  557   2HD   LYS  86          HD1       LYS  86  -5.385 -10.354   6.025
  558   1HE   LYS  86          HE2       LYS  86  -4.014 -12.234   6.801
  559   2HE   LYS  86          HE1       LYS  86  -5.736 -12.534   7.026
  560   1HZ   LYS  86          HZ1       LYS  86  -5.764 -13.986   5.174
  561   2HZ   LYS  86          HZ2       LYS  86  -4.435 -14.440   6.116
  562   3HZ   LYS  86          HZ3       LYS  86  -4.201 -13.546   4.700
  563    H    ASP  87           HN       ASP  87  -5.518 -10.736  -0.224
  564    HA   ASP  87           HA       ASP  87  -4.324 -13.341  -0.899
  565   1HB   ASP  87          HB2       ASP  87  -6.260 -11.616  -2.425
  566   2HB   ASP  87          HB1       ASP  87  -5.358 -12.918  -3.192
  567    H    TYR  88           HN       TYR  88  -4.279  -9.876  -1.613
  568    HA   TYR  88           HA       TYR  88  -1.758 -10.286  -3.078
  569   1HB   TYR  88          HB2       TYR  88  -3.886  -8.176  -3.310
  570   2HB   TYR  88          HB1       TYR  88  -2.257  -7.894  -3.915
  571    HD1  TYR  88           HD1      TYR  88  -4.523 -10.868  -4.024
  572    HD2  TYR  88           HD2      TYR  88  -2.255  -8.016  -6.218
  573    HE1  TYR  88           HE1      TYR  88  -5.103 -12.024  -6.114
  574    HE2  TYR  88           HE2      TYR  88  -2.829  -9.164  -8.315
  575    HH   TYR  88           HH       TYR  88  -3.539 -11.396  -9.059
  576    H    VAL  89           HN       VAL  89  -0.061  -8.757  -2.803
  577    HA   VAL  89           HA       VAL  89  -0.130  -7.093  -0.405
  578    HB   VAL  89           HB       VAL  89   0.723  -9.237   0.396
  579   1HG1  VAL  89          HG11      VAL  89   1.592 -10.007  -1.807
  580   2HG1  VAL  89          HG12      VAL  89   2.712 -10.254  -0.467
  581   3HG1  VAL  89          HG13      VAL  89   2.965  -8.922  -1.593
  582   1HG2  VAL  89          HG21      VAL  89   2.578  -6.896   0.238
  583   2HG2  VAL  89          HG22      VAL  89   3.102  -8.380   1.034
  584   3HG2  VAL  89          HG23      VAL  89   1.677  -7.524   1.617
  585    H    VAL  90           HN       VAL  90   0.669  -5.151  -0.938
  586    HA   VAL  90           HA       VAL  90   2.261  -4.868  -3.344
  587    HB   VAL  90           HB       VAL  90   1.469  -2.637  -1.472
  588   1HG1  VAL  90          HG11      VAL  90   2.176  -2.703  -4.408
  589   2HG1  VAL  90          HG12      VAL  90   3.186  -2.095  -3.095
  590   3HG1  VAL  90          HG13      VAL  90   1.681  -1.272  -3.501
  591   1HG2  VAL  90          HG21      VAL  90  -0.172  -4.144  -3.434
  592   2HG2  VAL  90          HG22      VAL  90  -0.348  -2.390  -3.401
  593   3HG2  VAL  90          HG23      VAL  90  -0.642  -3.333  -1.941
  594    H    GLN  91           HN       GLN  91   4.355  -4.312  -3.438
  595    HA   GLN  91           HA       GLN  91   5.847  -4.487  -0.958
  596   1HB   GLN  91          HB2       GLN  91   6.363  -5.488  -3.451
  597   2HB   GLN  91          HB1       GLN  91   7.351  -4.032  -3.445
  598   1HG   GLN  91          HG2       GLN  91   8.125  -4.916  -1.119
  599   2HG   GLN  91          HG1       GLN  91   7.545  -6.461  -1.736
  600   1HE2  GLN  91          HE21      GLN  91   8.585  -7.420  -3.480
  601   2HE2  GLN  91          HE22      GLN  91  10.160  -6.932  -3.995
  602    H    VAL  92           HN       VAL  92   7.409  -2.884  -0.376
  603    HA   VAL  92           HA       VAL  92   6.973  -0.256  -1.614
  604    HB   VAL  92           HB       VAL  92   7.001   0.700   0.738
  605   1HG1  VAL  92          HG11      VAL  92   4.572  -0.373   1.155
  606   2HG1  VAL  92          HG12      VAL  92   4.787  -0.755  -0.561
  607   3HG1  VAL  92          HG13      VAL  92   4.875   0.921  -0.012
  608   1HG2  VAL  92          HG21      VAL  92   6.497  -2.183   1.361
  609   2HG2  VAL  92          HG22      VAL  92   6.227  -0.849   2.469
  610   3HG2  VAL  92          HG23      VAL  92   7.853  -1.192   1.893
  611    H    ILE  93           HN       ILE  93   8.676   1.241  -1.339
  612    HA   ILE  93           HA       ILE  93  11.147   0.121  -0.198
  613    HB   ILE  93           HB       ILE  93  11.398   2.009  -2.461
  614   1HG1  ILE  93          HG12      ILE  93  10.777  -0.934  -2.814
  615   2HG1  ILE  93          HG11      ILE  93   9.748   0.405  -3.317
  616   1HG2  ILE  93          HG21      ILE  93  12.955  -0.407  -1.567
  617   2HG2  ILE  93          HG22      ILE  93  13.357   1.278  -1.237
  618   3HG2  ILE  93          HG23      ILE  93  13.405   0.668  -2.890
  619   1HD1  ILE  93          HD11      ILE  93  11.655   1.135  -4.794
  620   2HD1  ILE  93          HD12      ILE  93  10.832  -0.355  -5.254
  621   3HD1  ILE  93          HD13      ILE  93  12.399  -0.424  -4.446
  622    H    VAL  94           HN       VAL  94  11.742   1.255   1.443
  623    HA   VAL  94           HA       VAL  94  11.597   4.190   1.382
  624    HB   VAL  94           HB       VAL  94   9.854   3.815   2.899
  625   1HG1  VAL  94          HG11      VAL  94  10.031   1.385   2.964
  626   2HG1  VAL  94          HG12      VAL  94   9.841   2.041   4.590
  627   3HG1  VAL  94          HG13      VAL  94  11.425   1.501   4.038
  628   1HG2  VAL  94          HG21      VAL  94  12.133   3.678   4.850
  629   2HG2  VAL  94          HG22      VAL  94  10.601   4.539   4.993
  630   3HG2  VAL  94          HG23      VAL  94  11.837   5.117   3.876
  631    H    SER  95           HN       SER  95  13.755   4.443   0.945
  632    HA   SER  95           HA       SER  95  15.683   3.147   2.737
  633   1HB   SER  95          HB2       SER  95  16.005   2.908   0.282
  634   2HB   SER  95          HB1       SER  95  16.202   4.656   0.167
  635    HG   SER  95           HG       SER  95  17.826   2.916   1.716
  636    H    GLN  96           HN       GLN  96  14.091   5.350   3.683
  637    HA   GLN  96           HA       GLN  96  16.256   7.280   4.193
  638   1HB   GLN  96          HB2       GLN  96  13.354   8.073   4.046
  639   2HB   GLN  96          HB1       GLN  96  14.762   9.121   4.089
  640   1HG   GLN  96          HG2       GLN  96  14.068   7.276   1.815
  641   2HG   GLN  96          HG1       GLN  96  13.693   8.998   1.871
  642   1HE2  GLN  96          HE21      GLN  96  14.928   9.430   0.051
  643   2HE2  GLN  96          HE22      GLN  96  16.655   9.414   0.083
  644    HA   PRO  97           HA       PRO  97  14.688   5.218   8.131
  645   1HB   PRO  97          HB2       PRO  97  17.520   5.934   8.739
  646   2HB   PRO  97          HB1       PRO  97  16.615   4.476   9.158
  647   1HG   PRO  97          HG2       PRO  97  18.401   4.441   7.185
  648   2HG   PRO  97          HG1       PRO  97  16.874   3.549   7.047
  649   1HD   PRO  97          HD2       PRO  97  17.699   6.108   5.760
  650   2HD   PRO  97          HD1       PRO  97  16.664   4.809   5.133
  651    H    VAL  98           HN       VAL  98  16.327   8.190   7.317
  652    HA   VAL  98           HA       VAL  98  14.821   9.584   9.385
  653    HB   VAL  98           HB       VAL  98  17.811   9.937   9.133
  654   1HG1  VAL  98          HG11      VAL  98  17.566  11.356  11.118
  655   2HG1  VAL  98          HG12      VAL  98  15.818  11.137  11.052
  656   3HG1  VAL  98          HG13      VAL  98  16.650  11.983   9.747
  657   1HG2  VAL  98          HG21      VAL  98  17.937   8.933  11.369
  658   2HG2  VAL  98          HG22      VAL  98  17.291   7.802  10.179
  659   3HG2  VAL  98          HG23      VAL  98  16.205   8.605  11.312
  660    H    GLN  99           HN       GLN  99  17.046   9.789   6.639
  661    HA   GLN  99           HA       GLN  99  15.503  11.564   5.159
  662   1HB   GLN  99          HB2       GLN  99  16.813  13.652   5.370
  663   2HB   GLN  99          HB1       GLN  99  15.969  13.235   6.854
  664   1HG   GLN  99          HG2       GLN  99  18.087  12.262   7.714
  665   2HG   GLN  99          HG1       GLN  99  18.896  12.861   6.269
  666   1HE2  GLN  99          HE21      GLN  99  17.340  15.318   6.163
  667   2HE2  GLN  99          HE22      GLN  99  17.931  16.321   7.437
  668    H    ASN 100           HN       ASN 100  18.886  10.878   6.005
  669    HA   ASN 100           HA       ASN 100  20.702  10.346   4.743
  670   1HB   ASN 100          HB2       ASN 100  18.597   9.357   2.807
  671   2HB   ASN 100          HB1       ASN 100  20.309   8.950   2.751
  672   1HD2  ASN 100          HD21      ASN 100  19.910   6.763   2.985
  673   2HD2  ASN 100          HD22      ASN 100  19.400   6.070   4.483
  Start of MODEL   12
    1    H    GLY  21           H        GLY  21 -19.732  -6.680  -0.924
    2   1HA   GLY  21          HA1       GLY  21 -17.080  -6.639  -2.254
    3   2HA   GLY  21          HA2       GLY  21 -18.607  -6.407  -3.090
    4    H    TYR  22           HN       TYR  22 -17.936  -5.186   0.134
    5    HA   TYR  22           HA       TYR  22 -17.742  -2.465  -0.965
    6   1HB   TYR  22          HB2       TYR  22 -19.430  -3.325   1.394
    7   2HB   TYR  22          HB1       TYR  22 -19.166  -1.659   0.894
    8    HD1  TYR  22           HD1      TYR  22 -20.184  -0.804  -1.168
    9    HD2  TYR  22           HD2      TYR  22 -20.934  -4.767   0.186
   10    HE1  TYR  22           HE1      TYR  22 -22.112  -0.952  -2.687
   11    HE2  TYR  22           HE2      TYR  22 -22.864  -4.926  -1.331
   12    HH   TYR  22           HH       TYR  22 -23.443  -2.683  -3.811
   13    H    GLU  23           HN       GLU  23 -15.655  -4.237  -0.051
   14    HA   GLU  23           HA       GLU  23 -14.353  -2.442   1.770
   15   1HB   GLU  23          HB2       GLU  23 -13.909  -4.104   3.527
   16   2HB   GLU  23          HB1       GLU  23 -15.626  -3.753   3.382
   17   1HG   GLU  23          HG2       GLU  23 -15.942  -5.812   2.110
   18   2HG   GLU  23          HG1       GLU  23 -14.221  -6.163   2.252
   19    H    CYS  24           HN       CYS  24 -12.120  -2.736   1.852
   20    HA   CYS  24           HA       CYS  24 -10.996  -4.939   0.279
   21   1HB   CYS  24          HB2       CYS  24 -10.284  -2.025  -0.122
   22   2HB   CYS  24          HB1       CYS  24  -9.509  -3.388  -0.921
   23    HG   CYS  24           HG       CYS  24 -12.599  -2.083  -1.468
   24    H    GLN  25           HN       GLN  25  -8.793  -5.411   0.755
   25    HA   GLN  25           HA       GLN  25  -7.399  -3.972   2.812
   26   1HB   GLN  25          HB2       GLN  25  -8.292  -6.799   3.414
   27   2HB   GLN  25          HB1       GLN  25  -7.316  -5.764   4.444
   28   1HG   GLN  25          HG2       GLN  25  -9.225  -4.228   4.670
   29   2HG   GLN  25          HG1       GLN  25 -10.197  -5.327   3.692
   30   1HE2  GLN  25          HE21      GLN  25 -10.579  -4.435   6.441
   31   2HE2  GLN  25          HE22      GLN  25 -10.627  -5.866   7.407
   32    H    LEU  26           HN       LEU  26  -5.302  -4.108   2.332
   33    HA   LEU  26           HA       LEU  26  -4.347  -6.516   0.925
   34   1HB   LEU  26          HB2       LEU  26  -2.940  -5.169  -0.496
   35   2HB   LEU  26          HB1       LEU  26  -4.610  -4.669  -0.663
   36    HG   LEU  26           HG       LEU  26  -2.655  -3.212   1.105
   37   1HD1  LEU  26          HD11      LEU  26  -3.121  -1.664  -1.156
   38   2HD1  LEU  26          HD12      LEU  26  -2.792  -3.278  -1.779
   39   3HD1  LEU  26          HD13      LEU  26  -1.624  -2.486  -0.722
   40   1HD2  LEU  26          HD21      LEU  26  -5.462  -2.835   0.253
   41   2HD2  LEU  26          HD22      LEU  26  -4.452  -1.392   0.328
   42   3HD2  LEU  26          HD23      LEU  26  -4.662  -2.394   1.762
   43    H    ARG  27           HN       ARG  27  -2.157  -7.074   1.189
   44    HA   ARG  27           HA       ARG  27  -1.111  -6.302   3.790
   45   1HB   ARG  27          HB2       ARG  27  -0.236  -8.406   1.808
   46   2HB   ARG  27          HB1       ARG  27   0.531  -8.138   3.366
   47   1HG   ARG  27          HG2       ARG  27  -1.543  -8.714   4.498
   48   2HG   ARG  27          HG1       ARG  27  -2.339  -8.949   2.941
   49   1HD   ARG  27          HD2       ARG  27  -1.688 -11.089   3.843
   50   2HD   ARG  27          HD1       ARG  27  -0.710 -10.730   2.420
   51    HE   ARG  27           HE       ARG  27   0.584  -9.891   4.808
   52   1HH1  ARG  27          HH11      ARG  27  -0.128 -12.712   2.880
   53   2HH1  ARG  27          HH12      ARG  27   1.248 -13.598   3.445
   54   1HH2  ARG  27          HH21      ARG  27   2.394 -11.055   5.552
   55   2HH2  ARG  27          HH22      ARG  27   2.680 -12.658   4.962
   56    H    LEU  28           HN       LEU  28   0.721  -5.130   4.121
   57    HA   LEU  28           HA       LEU  28   2.156  -4.155   1.724
   58   1HB   LEU  28          HB2       LEU  28   1.452  -2.855   4.321
   59   2HB   LEU  28          HB1       LEU  28   2.825  -2.289   3.402
   60    HG   LEU  28           HG       LEU  28   0.504  -1.135   3.108
   61   1HD1  LEU  28          HD11      LEU  28   2.362  -0.387   1.896
   62   2HD1  LEU  28          HD12      LEU  28   1.128  -0.741   0.682
   63   3HD1  LEU  28          HD13      LEU  28   2.450  -1.876   0.953
   64   1HD2  LEU  28          HD21      LEU  28   0.272  -3.472   1.215
   65   2HD2  LEU  28          HD22      LEU  28  -0.773  -2.054   1.224
   66   3HD2  LEU  28          HD23      LEU  28  -0.767  -3.152   2.603
   67    H    ARG  29           HN       ARG  29   4.184  -4.930   1.570
   68    HA   ARG  29           HA       ARG  29   5.538  -5.655   4.081
   69   1HB   ARG  29          HB2       ARG  29   6.935  -7.114   2.747
   70   2HB   ARG  29          HB1       ARG  29   5.247  -7.499   2.497
   71   1HG   ARG  29          HG2       ARG  29   5.318  -6.190   0.390
   72   2HG   ARG  29          HG1       ARG  29   7.055  -5.988   0.624
   73   1HD   ARG  29          HD2       ARG  29   5.611  -8.621   0.367
   74   2HD   ARG  29          HD1       ARG  29   6.547  -7.835  -0.903
   75    HE   ARG  29           HE       ARG  29   8.071  -8.250   1.479
   76   1HH1  ARG  29          HH11      ARG  29   6.907  -9.797  -1.425
   77   2HH1  ARG  29          HH12      ARG  29   8.182 -10.968  -1.460
   78   1HH2  ARG  29          HH21      ARG  29   9.747  -9.790   1.433
   79   2HH2  ARG  29          HH22      ARG  29   9.795 -10.965   0.162
   80    H    LEU  30           HN       LEU  30   6.670  -3.920   4.758
   81    HA   LEU  30           HA       LEU  30   7.905  -2.171   2.829
   82   1HB   LEU  30          HB2       LEU  30   7.903  -1.954   5.806
   83   2HB   LEU  30          HB1       LEU  30   8.504  -0.751   4.717
   84    HG   LEU  30           HG       LEU  30   6.113  -0.607   5.887
   85   1HD1  LEU  30          HD11      LEU  30   5.500   0.767   3.710
   86   2HD1  LEU  30          HD12      LEU  30   7.223   0.522   3.419
   87   3HD1  LEU  30          HD13      LEU  30   6.683   1.307   4.900
   88   1HD2  LEU  30          HD21      LEU  30   4.470  -1.025   3.912
   89   2HD2  LEU  30          HD22      LEU  30   4.853  -2.304   5.055
   90   3HD2  LEU  30          HD23      LEU  30   5.631  -2.272   3.480
   91    H    SER  31           HN       SER  31  10.056  -1.604   2.736
   92    HA   SER  31           HA       SER  31  11.869  -3.683   2.694
   93   1HB   SER  31          HB2       SER  31  12.166  -1.559   1.475
   94   2HB   SER  31          HB1       SER  31  12.499  -0.741   3.001
   95    HG   SER  31           HG       SER  31  14.289  -1.728   1.534
   96    H    THR  32           HN       THR  32  10.820  -1.843   5.417
   97    HA   THR  32           HA       THR  32  13.173  -2.532   6.992
   98    HB   THR  32           HB       THR  32  12.158  -0.341   7.378
   99    HG1  THR  32           HG1      THR  32  11.623  -1.982   9.638
  100   1HG2  THR  32          HG21      THR  32   9.848  -0.838   6.821
  101   2HG2  THR  32          HG22      THR  32   9.939  -0.177   8.453
  102   3HG2  THR  32          HG23      THR  32   9.718  -1.911   8.216
  103    H    GLY  33           HN       GLY  33  10.803  -4.326   5.883
  104   1HA   GLY  33          HA2       GLY  33  10.146  -6.454   6.529
  105   2HA   GLY  33          HA1       GLY  33  10.896  -6.172   8.105
  106    H    LYS  34           HN       LYS  34   8.528  -4.166   6.415
  107    HA   LYS  34           HA       LYS  34   6.769  -4.496   8.751
  108   1HB   LYS  34          HB2       LYS  34   7.811  -2.215   7.746
  109   2HB   LYS  34          HB1       LYS  34   6.298  -2.276   6.864
  110   1HG   LYS  34          HG2       LYS  34   6.728  -2.153   9.816
  111   2HG   LYS  34          HG1       LYS  34   5.896  -0.986   8.796
  112   1HD   LYS  34          HD2       LYS  34   4.986  -3.773   9.499
  113   2HD   LYS  34          HD1       LYS  34   4.296  -2.260  10.085
  114   1HE   LYS  34          HE2       LYS  34   4.438  -2.637   7.156
  115   2HE   LYS  34          HE1       LYS  34   3.291  -3.623   8.042
  116   1HZ   LYS  34          HZ1       LYS  34   3.415  -0.675   7.896
  117   2HZ   LYS  34          HZ2       LYS  34   2.479  -1.485   9.048
  118   3HZ   LYS  34          HZ3       LYS  34   2.153  -1.685   7.400
  119    H    ASP  35           HN       ASP  35   5.665  -6.335   8.044
  120    HA   ASP  35           HA       ASP  35   4.074  -5.995   5.588
  121   1HB   ASP  35          HB2       ASP  35   3.736  -8.444   5.687
  122   2HB   ASP  35          HB1       ASP  35   5.446  -8.013   5.593
  123    H    LEU  36           HN       LEU  36   2.421  -4.757   6.399
  124    HA   LEU  36           HA       LEU  36   0.643  -6.111   8.302
  125   1HB   LEU  36          HB2       LEU  36   1.877  -4.192   9.350
  126   2HB   LEU  36          HB1       LEU  36   1.104  -3.131   8.191
  127    HG   LEU  36           HG       LEU  36   0.067  -3.158  10.475
  128   1HD1  LEU  36          HD11      LEU  36  -2.120  -2.925   9.676
  129   2HD1  LEU  36          HD12      LEU  36  -1.877  -4.114   8.399
  130   3HD1  LEU  36          HD13      LEU  36  -1.098  -2.535   8.292
  131   1HD2  LEU  36          HD21      LEU  36  -1.364  -5.040  11.065
  132   2HD2  LEU  36          HD22      LEU  36   0.320  -5.544  10.929
  133   3HD2  LEU  36          HD23      LEU  36  -0.819  -5.915   9.635
  134    H    LYS  37           HN       LYS  37  -1.340  -6.375   7.555
  135    HA   LYS  37           HA       LYS  37  -2.009  -5.323   4.969
  136   1HB   LYS  37          HB2       LYS  37  -2.835  -7.404   4.986
  137   2HB   LYS  37          HB1       LYS  37  -2.933  -7.458   6.732
  138   1HG   LYS  37          HG2       LYS  37  -5.053  -6.171   6.599
  139   2HG   LYS  37          HG1       LYS  37  -4.959  -6.283   4.840
  140   1HD   LYS  37          HD2       LYS  37  -5.111  -8.669   4.916
  141   2HD   LYS  37          HD1       LYS  37  -4.943  -8.677   6.672
  142   1HE   LYS  37          HE2       LYS  37  -7.262  -7.618   5.068
  143   2HE   LYS  37          HE1       LYS  37  -7.248  -9.041   6.105
  144   1HZ   LYS  37          HZ1       LYS  37  -8.284  -7.250   7.267
  145   2HZ   LYS  37          HZ2       LYS  37  -6.981  -6.214   6.967
  146   3HZ   LYS  37          HZ3       LYS  37  -6.785  -7.542   7.996
  147    H    LEU  38           HN       LEU  38  -2.631  -3.314   4.815
  148    HA   LEU  38           HA       LEU  38  -4.141  -2.017   6.924
  149   1HB   LEU  38          HB2       LEU  38  -2.562  -0.543   6.110
  150   2HB   LEU  38          HB1       LEU  38  -2.693  -1.149   4.468
  151    HG   LEU  38           HG       LEU  38  -4.951   0.012   4.349
  152   1HD1  LEU  38          HD11      LEU  38  -5.500   1.670   5.934
  153   2HD1  LEU  38          HD12      LEU  38  -3.932   1.539   6.731
  154   3HD1  LEU  38          HD13      LEU  38  -5.103   0.229   6.869
  155   1HD2  LEU  38          HD21      LEU  38  -2.887   0.866   3.309
  156   2HD2  LEU  38          HD22      LEU  38  -2.528   1.750   4.793
  157   3HD2  LEU  38          HD23      LEU  38  -3.962   2.154   3.849
  158    H    VAL  39           HN       VAL  39  -6.225  -1.307   6.781
  159    HA   VAL  39           HA       VAL  39  -7.925  -2.654   4.892
  160    HB   VAL  39           HB       VAL  39  -9.783  -1.606   6.109
  161   1HG1  VAL  39          HG11      VAL  39  -9.423  -2.690   8.259
  162   2HG1  VAL  39          HG12      VAL  39  -7.689  -2.759   7.948
  163   3HG1  VAL  39          HG13      VAL  39  -8.802  -3.689   6.946
  164   1HG2  VAL  39          HG21      VAL  39  -8.758   0.549   6.595
  165   2HG2  VAL  39          HG22      VAL  39  -7.619  -0.226   7.696
  166   3HG2  VAL  39          HG23      VAL  39  -9.341  -0.209   8.077
  167    H    VAL  40           HN       VAL  40  -9.344  -1.670   3.421
  168    HA   VAL  40           HA       VAL  40  -9.220   1.147   2.877
  169    HB   VAL  40           HB       VAL  40  -8.404   0.909   0.554
  170   1HG1  VAL  40          HG11      VAL  40  -6.054   0.770   1.070
  171   2HG1  VAL  40          HG12      VAL  40  -6.398  -0.085   2.572
  172   3HG1  VAL  40          HG13      VAL  40  -6.889   1.598   2.384
  173   1HG2  VAL  40          HG21      VAL  40  -8.408  -1.916   1.301
  174   2HG2  VAL  40          HG22      VAL  40  -6.932  -1.391   0.497
  175   3HG2  VAL  40          HG23      VAL  40  -8.496  -1.163  -0.294
  176    H    ARG  41           HN       ARG  41 -10.543   1.639   0.856
  177    HA   ARG  41           HA       ARG  41 -12.421  -0.425   0.119
  178   1HB   ARG  41          HB2       ARG  41 -14.360   0.618   0.948
  179   2HB   ARG  41          HB1       ARG  41 -13.207   0.660   2.268
  180   1HG   ARG  41          HG2       ARG  41 -12.669   3.019   1.591
  181   2HG   ARG  41          HG1       ARG  41 -14.055   2.934   0.501
  182   1HD   ARG  41          HD2       ARG  41 -14.128   2.521   3.487
  183   2HD   ARG  41          HD1       ARG  41 -14.656   3.970   2.631
  184    HE   ARG  41           HE       ARG  41 -16.063   1.837   1.553
  185   1HH1  ARG  41          HH11      ARG  41 -15.762   3.429   4.645
  186   2HH1  ARG  41          HH12      ARG  41 -17.379   3.050   5.137
  187   1HH2  ARG  41          HH21      ARG  41 -18.189   1.340   2.198
  188   2HH2  ARG  41          HH22      ARG  41 -18.757   1.865   3.748
  189    H    SER  42           HN       SER  42 -11.929  -0.266  -1.970
  190    HA   SER  42           HA       SER  42 -11.600   0.550  -4.062
  191   1HB   SER  42          HB2       SER  42 -13.623   1.657  -4.961
  192   2HB   SER  42          HB1       SER  42 -13.993   0.238  -3.983
  193    HG   SER  42           HG       SER  42 -14.622   2.874  -3.565
  194    H    THR  43           HN       THR  43 -12.602   3.342  -2.051
  195    HA   THR  43           HA       THR  43 -11.211   5.155  -3.811
  196    HB   THR  43           HB       THR  43 -12.521   5.716  -1.142
  197    HG1  THR  43           HG1      THR  43 -13.910   4.904  -2.899
  198   1HG2  THR  43          HG21      THR  43 -11.633   7.552  -3.371
  199   2HG2  THR  43          HG22      THR  43 -10.942   7.453  -1.753
  200   3HG2  THR  43          HG23      THR  43 -12.587   8.049  -1.974
  201    H    ASP  44           HN       ASP  44 -10.405   3.215  -1.143
  202    HA   ASP  44           HA       ASP  44  -8.219   4.970  -0.329
  203   1HB   ASP  44          HB2       ASP  44  -9.460   2.519   0.880
  204   2HB   ASP  44          HB1       ASP  44  -7.867   3.064   1.398
  205    H    THR  45           HN       THR  45  -7.963   3.988  -2.891
  206    HA   THR  45           HA       THR  45  -6.518   1.614  -3.225
  207    HB   THR  45           HB       THR  45  -5.710   2.579  -5.320
  208    HG1  THR  45           HG1      THR  45  -6.856   4.999  -4.331
  209   1HG2  THR  45          HG21      THR  45  -8.516   2.643  -4.472
  210   2HG2  THR  45          HG22      THR  45  -7.775   1.871  -5.874
  211   3HG2  THR  45          HG23      THR  45  -8.174   3.588  -5.921
  212    H    VAL  46           HN       VAL  46  -4.183   1.595  -3.976
  213    HA   VAL  46           HA       VAL  46  -2.361   1.725  -2.124
  214    HB   VAL  46           HB       VAL  46  -2.116   2.200  -5.034
  215   1HG1  VAL  46          HG11      VAL  46   0.096   2.780  -3.083
  216   2HG1  VAL  46          HG12      VAL  46  -0.514   3.804  -4.385
  217   3HG1  VAL  46          HG13      VAL  46   0.389   2.338  -4.766
  218   1HG2  VAL  46          HG21      VAL  46  -0.815   0.188  -4.933
  219   2HG2  VAL  46          HG22      VAL  46  -2.238  -0.051  -3.925
  220   3HG2  VAL  46          HG23      VAL  46  -0.673   0.280  -3.174
  221    H    PHE  47           HN       PHE  47  -3.520   4.674  -3.683
  222    HA   PHE  47           HA       PHE  47  -1.547   6.416  -2.613
  223   1HB   PHE  47          HB2       PHE  47  -3.000   7.087  -4.463
  224   2HB   PHE  47          HB1       PHE  47  -4.408   6.997  -3.415
  225    HD1  PHE  47           HD1      PHE  47  -1.467   8.929  -4.349
  226    HD2  PHE  47           HD2      PHE  47  -4.788   8.684  -1.699
  227    HE1  PHE  47           HE1      PHE  47  -1.133  11.284  -3.718
  228    HE2  PHE  47           HE2      PHE  47  -4.459  11.038  -1.064
  229    HZ   PHE  47           HZ       PHE  47  -2.630  12.341  -2.075
  230    H    HIS  48           HN       HIS  48  -4.976   6.261  -1.609
  231    HA   HIS  48           HA       HIS  48  -4.531   7.379   0.914
  232   1HB   HIS  48          HB2       HIS  48  -6.610   5.328   0.145
  233   2HB   HIS  48          HB1       HIS  48  -6.649   6.352   1.580
  234    HD1  HIS  48           HD1      HIS  48  -7.901   8.482   1.342
  235    HD2  HIS  48           HD2      HIS  48  -6.737   6.945  -2.338
  236    HE1  HIS  48           HE1      HIS  48  -8.939   9.995  -0.377
  237    HE2  HIS  48           HE2      HIS  48  -8.149   9.096  -2.594
  238    H    MET  49           HN       MET  49  -4.489   4.075  -0.255
  239    HA   MET  49           HA       MET  49  -4.041   2.602   1.988
  240   1HB   MET  49          HB2       MET  49  -4.090   1.823  -0.458
  241   2HB   MET  49          HB1       MET  49  -2.395   2.273  -0.506
  242   1HG   MET  49          HG2       MET  49  -3.470   0.332   1.504
  243   2HG   MET  49          HG1       MET  49  -2.904  -0.158  -0.090
  244   1HE   MET  49          HE1       MET  49   0.839   1.066   0.037
  245   2HE   MET  49          HE2       MET  49  -0.484   2.172  -0.317
  246   3HE   MET  49          HE3       MET  49  -0.491   0.545  -0.996
  247    H    LYS  50           HN       LYS  50  -1.741   4.401   0.039
  248    HA   LYS  50           HA       LYS  50   0.523   3.994   1.698
  249   1HB   LYS  50          HB2       LYS  50  -0.157   5.888  -0.521
  250   2HB   LYS  50          HB1       LYS  50   1.291   6.157   0.433
  251   1HG   LYS  50          HG2       LYS  50   2.175   4.019  -0.205
  252   2HG   LYS  50          HG1       LYS  50   0.679   3.603  -1.038
  253   1HD   LYS  50          HD2       LYS  50   2.642   5.768  -1.779
  254   2HD   LYS  50          HD1       LYS  50   2.302   4.284  -2.670
  255   1HE   LYS  50          HE2       LYS  50  -0.025   5.078  -3.002
  256   2HE   LYS  50          HE1       LYS  50   0.416   6.594  -2.220
  257   1HZ   LYS  50          HZ1       LYS  50   2.048   6.970  -3.965
  258   2HZ   LYS  50          HZ2       LYS  50   0.499   6.793  -4.617
  259   3HZ   LYS  50          HZ3       LYS  50   1.609   5.521  -4.719
  260    H    ARG  51           HN       ARG  51  -2.060   6.352   1.543
  261    HA   ARG  51           HA       ARG  51  -1.073   8.323   3.195
  262   1HB   ARG  51          HB2       ARG  51  -3.223   8.434   1.930
  263   2HB   ARG  51          HB1       ARG  51  -3.936   7.378   3.139
  264   1HG   ARG  51          HG2       ARG  51  -3.480   9.059   4.865
  265   2HG   ARG  51          HG1       ARG  51  -2.813  10.125   3.627
  266   1HD   ARG  51          HD2       ARG  51  -4.965  10.171   2.487
  267   2HD   ARG  51          HD1       ARG  51  -5.635   9.063   3.684
  268    HE   ARG  51           HE       ARG  51  -4.579  11.385   4.926
  269   1HH1  ARG  51          HH11      ARG  51  -7.313  10.241   3.082
  270   2HH1  ARG  51          HH12      ARG  51  -8.403  11.418   3.735
  271   1HH2  ARG  51          HH21      ARG  51  -6.012  12.932   5.785
  272   2HH2  ARG  51          HH22      ARG  51  -7.666  12.946   5.268
  273    H    ARG  52           HN       ARG  52  -2.851   5.396   3.983
  274    HA   ARG  52           HA       ARG  52  -2.540   5.778   6.830
  275   1HB   ARG  52          HB2       ARG  52  -3.736   3.521   5.215
  276   2HB   ARG  52          HB1       ARG  52  -3.698   3.560   6.973
  277   1HG   ARG  52          HG2       ARG  52  -5.047   5.601   6.952
  278   2HG   ARG  52          HG1       ARG  52  -5.092   5.547   5.189
  279   1HD   ARG  52          HD2       ARG  52  -6.239   3.396   5.277
  280   2HD   ARG  52          HD1       ARG  52  -6.174   3.424   7.038
  281    HE   ARG  52           HE       ARG  52  -7.462   5.738   5.981
  282   1HH1  ARG  52          HH11      ARG  52  -7.948   2.367   6.743
  283   2HH1  ARG  52          HH12      ARG  52  -9.657   2.534   6.962
  284   1HH2  ARG  52          HH21      ARG  52  -9.710   5.960   6.270
  285   2HH2  ARG  52          HH22      ARG  52 -10.658   4.574   6.694
  286    H    LEU  53           HN       LEU  53  -0.879   4.288   4.230
  287    HA   LEU  53           HA       LEU  53   0.515   2.244   5.538
  288   1HB   LEU  53          HB2       LEU  53   0.456   2.707   3.067
  289   2HB   LEU  53          HB1       LEU  53   1.576   4.026   3.349
  290    HG   LEU  53           HG       LEU  53   3.283   2.483   4.076
  291   1HD1  LEU  53          HD11      LEU  53   1.097   0.451   3.852
  292   2HD1  LEU  53          HD12      LEU  53   2.128   0.809   5.237
  293   3HD1  LEU  53          HD13      LEU  53   2.801   0.001   3.821
  294   1HD2  LEU  53          HD21      LEU  53   3.654   1.271   1.999
  295   2HD2  LEU  53          HD22      LEU  53   3.077   2.907   1.684
  296   3HD2  LEU  53          HD23      LEU  53   1.974   1.539   1.537
  297    H    HIS  54           HN       HIS  54   1.030   5.701   5.306
  298    HA   HIS  54           HA       HIS  54   3.469   5.616   6.832
  299   1HB   HIS  54          HB2       HIS  54   3.636   7.913   6.435
  300   2HB   HIS  54          HB1       HIS  54   2.833   7.313   4.989
  301    HD1  HIS  54           HD1      HIS  54   1.678   8.725   8.347
  302    HD2  HIS  54           HD2      HIS  54   0.817   8.933   4.288
  303    HE1  HIS  54           HE1      HIS  54  -0.198  10.387   8.143
  304    HE2  HIS  54           HE2      HIS  54  -0.648  10.555   5.670
  305    H    ALA  55           HN       ALA  55   0.086   6.554   7.298
  306    HA   ALA  55           HA       ALA  55   0.323   7.478   9.938
  307   1HB   ALA  55          HB1       ALA  55  -1.659   7.813   8.492
  308   2HB   ALA  55          HB2       ALA  55  -2.066   7.201  10.095
  309   3HB   ALA  55          HB3       ALA  55  -2.067   6.111   8.709
  310    H    ALA  56           HN       ALA  56   0.221   4.248   8.622
  311    HA   ALA  56           HA       ALA  56  -0.330   2.990  11.156
  312   1HB   ALA  56          HB1       ALA  56   0.561   1.767   8.549
  313   2HB   ALA  56          HB2       ALA  56  -1.112   2.002   9.057
  314   3HB   ALA  56          HB3       ALA  56  -0.065   0.899   9.950
  315    H    GLU  57           HN       GLU  57   2.463   2.709   8.917
  316    HA   GLU  57           HA       GLU  57   4.094   1.844  11.163
  317   1HB   GLU  57          HB2       GLU  57   5.703   1.114   9.589
  318   2HB   GLU  57          HB1       GLU  57   4.132   0.669   8.946
  319   1HG   GLU  57          HG2       GLU  57   4.972   1.524   7.052
  320   2HG   GLU  57          HG1       GLU  57   4.454   3.053   7.755
  321    H    GLY  58           HN       GLY  58   3.947   4.579   8.893
  322   1HA   GLY  58          HA2       GLY  58   4.618   6.723   9.971
  323   2HA   GLY  58          HA1       GLY  58   6.046   5.861  10.537
  324    H    VAL  59           HN       VAL  59   5.193   4.897   7.410
  325    HA   VAL  59           HA       VAL  59   7.436   6.371   6.310
  326    HB   VAL  59           HB       VAL  59   7.233   3.977   5.815
  327   1HG1  VAL  59          HG11      VAL  59   4.652   4.118   5.773
  328   2HG1  VAL  59          HG12      VAL  59   5.465   2.987   4.695
  329   3HG1  VAL  59          HG13      VAL  59   4.864   4.520   4.069
  330   1HG2  VAL  59          HG21      VAL  59   8.468   4.850   4.137
  331   2HG2  VAL  59          HG22      VAL  59   7.236   6.026   3.686
  332   3HG2  VAL  59          HG23      VAL  59   7.080   4.345   3.175
  333    H    GLU  60           HN       GLU  60   6.307   8.438   6.510
  334    HA   GLU  60           HA       GLU  60   4.148   8.881   4.625
  335   1HB   GLU  60          HB2       GLU  60   3.984  11.117   5.636
  336   2HB   GLU  60          HB1       GLU  60   3.870   9.830   6.826
  337   1HG   GLU  60          HG2       GLU  60   6.205  10.198   7.446
  338   2HG   GLU  60          HG1       GLU  60   6.313  11.493   6.254
  339    HA   PRO  61           HA       PRO  61   7.576  11.789   2.878
  340   1HB   PRO  61          HB2       PRO  61  10.138  11.008   3.157
  341   2HB   PRO  61          HB1       PRO  61   9.314  11.976   4.382
  342   1HG   PRO  61          HG2       PRO  61   9.858   9.038   4.336
  343   2HG   PRO  61          HG1       PRO  61   9.986  10.181   5.685
  344   1HD   PRO  61          HD2       PRO  61   7.860   8.502   5.292
  345   2HD   PRO  61          HD1       PRO  61   7.756  10.040   6.168
  346    H    GLY  62           HN       GLY  62   9.826  11.052   1.376
  347   1HA   GLY  62          HA2       GLY  62   8.660   9.679  -0.777
  348   2HA   GLY  62          HA1       GLY  62  10.370  10.034  -0.604
  349    H    SER  63           HN       SER  63   9.569   8.316   2.087
  350    HA   SER  63           HA       SER  63  10.889   5.966   1.188
  351   1HB   SER  63          HB2       SER  63   9.471   6.652   3.761
  352   2HB   SER  63          HB1       SER  63  10.317   5.131   3.491
  353    HG   SER  63           HG       SER  63  11.503   7.696   3.245
  354    H    GLN  64           HN       GLN  64   7.868   6.879   0.425
  355    HA   GLN  64           HA       GLN  64   6.645   4.260   0.848
  356   1HB   GLN  64          HB2       GLN  64   5.533   6.906  -0.076
  357   2HB   GLN  64          HB1       GLN  64   4.606   5.414  -0.148
  358   1HG   GLN  64          HG2       GLN  64   4.632   5.179   2.212
  359   2HG   GLN  64          HG1       GLN  64   5.821   6.475   2.383
  360   1HE2  GLN  64          HE21      GLN  64   5.163   8.623   2.057
  361   2HE2  GLN  64          HE22      GLN  64   3.501   9.082   2.167
  362    H    ARG  65           HN       ARG  65   8.192   3.295  -0.716
  363    HA   ARG  65           HA       ARG  65   7.650   3.943  -3.510
  364   1HB   ARG  65          HB2       ARG  65   9.581   2.008  -2.233
  365   2HB   ARG  65          HB1       ARG  65   9.413   2.220  -3.968
  366   1HG   ARG  65          HG2       ARG  65   9.935   4.679  -3.549
  367   2HG   ARG  65          HG1       ARG  65  10.449   4.171  -1.939
  368   1HD   ARG  65          HD2       ARG  65  12.084   2.660  -2.919
  369   2HD   ARG  65          HD1       ARG  65  11.540   3.096  -4.538
  370    HE   ARG  65           HE       ARG  65  12.297   5.437  -3.223
  371   1HH1  ARG  65          HH11      ARG  65  13.761   2.503  -4.414
  372   2HH1  ARG  65          HH12      ARG  65  15.299   3.242  -4.708
  373   1HH2  ARG  65          HH21      ARG  65  14.318   6.411  -3.609
  374   2HH2  ARG  65          HH22      ARG  65  15.616   5.461  -4.250
  375    H    TRP  66           HN       TRP  66   5.596   3.250  -3.834
  376    HA   TRP  66           HA       TRP  66   4.609   0.692  -3.010
  377   1HB   TRP  66          HB2       TRP  66   2.622   1.365  -4.379
  378   2HB   TRP  66          HB1       TRP  66   3.095   2.554  -3.166
  379    HD1  TRP  66           HD1      TRP  66   2.976   2.011  -6.933
  380    HE1  TRP  66           HE1      TRP  66   3.353   4.261  -8.121
  381    HE3  TRP  66           HE3      TRP  66   4.213   4.865  -2.886
  382    HZ2  TRP  66           HZ2      TRP  66   4.082   6.898  -7.434
  383    HZ3  TRP  66           HZ3      TRP  66   4.742   7.242  -3.234
  384    HH2  TRP  66           HH2      TRP  66   4.678   8.238  -5.462
  385    H    PHE  67           HN       PHE  67   4.756  -1.203  -4.039
  386    HA   PHE  67           HA       PHE  67   4.904  -1.337  -6.922
  387   1HB   PHE  67          HB2       PHE  67   7.187  -2.203  -5.157
  388   2HB   PHE  67          HB1       PHE  67   6.956  -2.850  -6.778
  389    HD1  PHE  67           HD1      PHE  67   7.601   0.246  -4.867
  390    HD2  PHE  67           HD2      PHE  67   7.596  -1.634  -8.684
  391    HE1  PHE  67           HE1      PHE  67   8.807   2.172  -5.814
  392    HE2  PHE  67           HE2      PHE  67   8.803   0.286  -9.636
  393    HZ   PHE  67           HZ       PHE  67   9.410   2.192  -8.201
  394    H    PHE  68           HN       PHE  68   3.880  -3.084  -7.657
  395    HA   PHE  68           HA       PHE  68   3.197  -5.211  -5.745
  396   1HB   PHE  68          HB2       PHE  68   1.244  -4.035  -6.592
  397   2HB   PHE  68          HB1       PHE  68   1.770  -4.296  -8.249
  398    HD1  PHE  68           HD1      PHE  68   0.458  -5.946  -5.228
  399    HD2  PHE  68           HD2      PHE  68   1.339  -6.334  -9.373
  400    HE1  PHE  68           HE1      PHE  68  -0.817  -8.050  -5.298
  401    HE2  PHE  68           HE2      PHE  68   0.066  -8.438  -9.451
  402    HZ   PHE  68           HZ       PHE  68  -1.013  -9.299  -7.412
  403    H    SER  69           HN       SER  69   4.374  -6.988  -6.004
  404    HA   SER  69           HA       SER  69   5.469  -8.738  -6.956
  405   1HB   SER  69          HB2       SER  69   3.979  -7.914  -9.462
  406   2HB   SER  69          HB1       SER  69   4.820  -9.447  -9.222
  407    HG   SER  69           HG       SER  69   3.354  -9.956  -7.597
  408    H    GLY  70           HN       GLY  70   6.283  -5.717  -7.353
  409   1HA   GLY  70          HA2       GLY  70   8.640  -5.278  -7.770
  410   2HA   GLY  70          HA1       GLY  70   8.527  -6.353  -9.163
  411    H    ARG  71           HN       ARG  71   5.796  -5.039  -9.691
  412    HA   ARG  71           HA       ARG  71   6.879  -2.909 -11.348
  413   1HB   ARG  71          HB2       ARG  71   4.058  -3.989 -11.190
  414   2HB   ARG  71          HB1       ARG  71   4.687  -2.903 -12.421
  415   1HG   ARG  71          HG2       ARG  71   5.591  -5.736 -11.943
  416   2HG   ARG  71          HG1       ARG  71   4.528  -5.189 -13.241
  417   1HD   ARG  71          HD2       ARG  71   7.385  -4.321 -12.810
  418   2HD   ARG  71          HD1       ARG  71   6.831  -5.481 -14.018
  419    HE   ARG  71           HE       ARG  71   5.495  -2.971 -14.252
  420   1HH1  ARG  71          HH11      ARG  71   8.456  -4.651 -15.023
  421   2HH1  ARG  71          HH12      ARG  71   8.819  -3.645 -16.384
  422   1HH2  ARG  71          HH21      ARG  71   5.972  -1.646 -16.042
  423   2HH2  ARG  71          HH22      ARG  71   7.410  -1.938 -16.962
  424    HA   PRO  72           HA       PRO  72   5.598   0.342  -8.642
  425   1HB   PRO  72          HB2       PRO  72   5.221   2.354 -10.431
  426   2HB   PRO  72          HB1       PRO  72   6.823   1.779  -9.957
  427   1HG   PRO  72          HG2       PRO  72   5.221   1.124 -12.399
  428   2HG   PRO  72          HG1       PRO  72   6.952   1.482 -12.259
  429   1HD   PRO  72          HD2       PRO  72   5.999  -1.043 -12.481
  430   2HD   PRO  72          HD1       PRO  72   7.464  -0.654 -11.556
  431    H    LEU  73           HN       LEU  73   3.652   0.210  -7.689
  432    HA   LEU  73           HA       LEU  73   1.235  -0.201  -9.157
  433   1HB   LEU  73          HB2       LEU  73   1.909   0.319  -6.291
  434   2HB   LEU  73          HB1       LEU  73   0.239   0.431  -6.814
  435   1HD1  LEU  73          HD21      LEU  73  -0.790  -1.731  -5.776
  436   2HD1  LEU  73          HD22      LEU  73   0.579  -1.188  -4.810
  437   3HD1  LEU  73          HD23      LEU  73   0.460  -2.879  -5.295
  438   1HD2  LEU  73          HD11      LEU  73   1.019  -2.202  -8.900
  439   2HD2  LEU  73          HD12      LEU  73  -0.506  -1.523  -8.339
  440   3HD2  LEU  73          HD13      LEU  73  -0.022  -3.136  -7.825
  441    H    THR  74           HN       THR  74  -0.721   1.226  -8.733
  442    HA   THR  74           HA       THR  74   0.036   4.043  -9.136
  443    HB   THR  74           HB       THR  74  -1.844   4.357 -10.547
  444    HG1  THR  74           HG1      THR  74  -3.572   3.235 -10.091
  445   1HG2  THR  74          HG21      THR  74  -0.613   1.679 -11.214
  446   2HG2  THR  74          HG22      THR  74   0.047   3.259 -11.640
  447   3HG2  THR  74          HG23      THR  74  -1.481   2.722 -12.340
  448    H    ASP  75           HN       ASP  75  -2.016   5.462  -8.716
  449    HA   ASP  75           HA       ASP  75  -2.719   5.089  -5.931
  450   1HB   ASP  75          HB2       ASP  75  -3.608   7.445  -6.182
  451   2HB   ASP  75          HB1       ASP  75  -1.878   7.261  -6.459
  452    H    LYS  76           HN       LYS  76  -3.994   3.472  -8.047
  453    HA   LYS  76           HA       LYS  76  -6.722   3.848  -7.204
  454   1HB   LYS  76          HB2       LYS  76  -5.917   4.153 -10.098
  455   2HB   LYS  76          HB1       LYS  76  -7.572   3.859  -9.575
  456   1HG   LYS  76          HG2       LYS  76  -7.520   5.953  -8.292
  457   2HG   LYS  76          HG1       LYS  76  -5.880   6.250  -8.873
  458   1HD   LYS  76          HD2       LYS  76  -6.709   6.275 -11.180
  459   2HD   LYS  76          HD1       LYS  76  -8.348   5.990 -10.592
  460   1HE   LYS  76          HE2       LYS  76  -6.626   8.390  -9.975
  461   2HE   LYS  76          HE1       LYS  76  -7.993   8.351 -11.089
  462   1HZ   LYS  76          HZ1       LYS  76  -9.443   7.819  -9.229
  463   2HZ   LYS  76          HZ2       LYS  76  -8.625   9.273  -8.953
  464   3HZ   LYS  76          HZ3       LYS  76  -8.131   7.862  -8.162
  465    H    MET  77           HN       MET  77  -4.707   1.859  -6.866
  466    HA   MET  77           HA       MET  77  -5.337  -0.322  -8.634
  467   1HB   MET  77          HB2       MET  77  -3.694  -0.318  -6.108
  468   2HB   MET  77          HB1       MET  77  -3.761  -1.613  -7.294
  469   1HG   MET  77          HG2       MET  77  -2.802   1.168  -7.920
  470   2HG   MET  77          HG1       MET  77  -1.746  -0.143  -7.407
  471   1HE   MET  77          HE1       MET  77  -3.749   0.634 -11.348
  472   2HE   MET  77          HE2       MET  77  -4.363   1.045  -9.746
  473   3HE   MET  77          HE3       MET  77  -4.762  -0.512 -10.470
  474    H    LYS  78           HN       LYS  78  -6.336   0.611  -5.361
  475    HA   LYS  78           HA       LYS  78  -7.197  -1.899  -4.539
  476   1HB   LYS  78          HB2       LYS  78  -8.022   0.847  -3.763
  477   2HB   LYS  78          HB1       LYS  78  -8.976  -0.516  -3.209
  478   1HG   LYS  78          HG2       LYS  78  -6.081   0.048  -2.634
  479   2HG   LYS  78          HG1       LYS  78  -7.422  -0.043  -1.492
  480   1HD   LYS  78          HD2       LYS  78  -6.661  -2.139  -1.153
  481   2HD   LYS  78          HD1       LYS  78  -7.545  -2.499  -2.635
  482   1HE   LYS  78          HE2       LYS  78  -5.429  -1.972  -3.890
  483   2HE   LYS  78          HE1       LYS  78  -4.610  -1.913  -2.332
  484   1HZ   LYS  78          HZ1       LYS  78  -5.775  -4.248  -2.099
  485   2HZ   LYS  78          HZ2       LYS  78  -4.269  -4.074  -2.847
  486   3HZ   LYS  78          HZ3       LYS  78  -5.668  -4.208  -3.787
  487    H    PHE  79           HN       PHE  79  -9.408   0.664  -5.639
  488    HA   PHE  79           HA       PHE  79 -11.506  -1.133  -6.127
  489   1HB   PHE  79          HB2       PHE  79 -11.845   1.290  -5.775
  490   2HB   PHE  79          HB1       PHE  79 -11.078   1.615  -7.321
  491    HD1  PHE  79           HD1      PHE  79 -13.894  -0.358  -5.878
  492    HD2  PHE  79           HD2      PHE  79 -12.408   1.887  -9.175
  493    HE1  PHE  79           HE1      PHE  79 -16.074  -0.566  -6.997
  494    HE2  PHE  79           HE2      PHE  79 -14.586   1.683 -10.300
  495    HZ   PHE  79           HZ       PHE  79 -16.423   0.455  -9.210
  496    H    GLU  80           HN       GLU  80  -8.656  -0.636  -7.922
  497    HA   GLU  80           HA       GLU  80  -9.920  -1.241 -10.483
  498   1HB   GLU  80          HB2       GLU  80  -8.178   0.467 -10.451
  499   2HB   GLU  80          HB1       GLU  80  -7.026  -0.699  -9.813
  500   1HG   GLU  80          HG2       GLU  80  -7.193  -2.005 -11.856
  501   2HG   GLU  80          HG1       GLU  80  -8.388  -0.877 -12.493
  502    H    GLU  81           HN       GLU  81  -8.123  -2.829  -7.980
  503    HA   GLU  81           HA       GLU  81  -7.514  -5.107  -9.699
  504   1HB   GLU  81          HB2       GLU  81  -5.830  -4.141  -8.045
  505   2HB   GLU  81          HB1       GLU  81  -6.843  -4.809  -6.773
  506   1HG   GLU  81          HG2       GLU  81  -5.013  -6.301  -7.245
  507   2HG   GLU  81          HG1       GLU  81  -6.536  -7.049  -7.722
  508    H    LEU  82           HN       LEU  82  -8.891  -4.568  -6.478
  509    HA   LEU  82           HA       LEU  82 -10.600  -5.542  -5.363
  510   1HB   LEU  82          HB2       LEU  82 -11.489  -6.579  -8.052
  511   2HB   LEU  82          HB1       LEU  82 -12.446  -6.446  -6.604
  512    HG   LEU  82           HG       LEU  82 -13.162  -4.686  -7.960
  513   1HD1  LEU  82          HD11      LEU  82 -12.528  -2.681  -6.748
  514   2HD1  LEU  82          HD12      LEU  82 -11.142  -3.521  -6.055
  515   3HD1  LEU  82          HD13      LEU  82 -12.779  -4.029  -5.640
  516   1HD2  LEU  82          HD21      LEU  82 -10.428  -3.573  -8.329
  517   2HD2  LEU  82          HD22      LEU  82 -11.869  -3.377  -9.326
  518   3HD2  LEU  82          HD23      LEU  82 -10.972  -4.893  -9.360
  519    H    LYS  83           HN       LYS  83  -8.115  -7.119  -6.611
  520    HA   LYS  83           HA       LYS  83  -9.090  -9.809  -5.986
  521   1HB   LYS  83          HB2       LYS  83  -6.515  -9.025  -7.340
  522   2HB   LYS  83          HB1       LYS  83  -7.147 -10.651  -7.172
  523   1HG   LYS  83          HG2       LYS  83  -8.548  -8.483  -8.707
  524   2HG   LYS  83          HG1       LYS  83  -7.395  -9.601  -9.435
  525   1HD   LYS  83          HD2       LYS  83  -9.341 -10.719  -9.862
  526   2HD   LYS  83          HD1       LYS  83  -8.954 -11.396  -8.278
  527   1HE   LYS  83          HE2       LYS  83 -10.356  -9.505  -7.321
  528   2HE   LYS  83          HE1       LYS  83 -10.936  -9.247  -8.963
  529   1HZ   LYS  83          HZ1       LYS  83 -12.430 -10.677  -7.719
  530   2HZ   LYS  83          HZ2       LYS  83 -11.179 -11.776  -7.421
  531   3HZ   LYS  83          HZ3       LYS  83 -11.731 -11.531  -9.001
  532    H    ILE  84           HN       ILE  84  -7.565  -7.297  -4.498
  533    HA   ILE  84           HA       ILE  84  -5.807  -9.006  -2.896
  534    HB   ILE  84           HB       ILE  84  -5.938  -5.995  -2.947
  535   1HG1  ILE  84          HG12      ILE  84  -4.128  -7.881  -4.464
  536   2HG1  ILE  84          HG11      ILE  84  -5.302  -6.770  -5.150
  537   1HG2  ILE  84          HG21      ILE  84  -3.595  -6.281  -1.998
  538   2HG2  ILE  84          HG22      ILE  84  -4.045  -7.959  -1.698
  539   3HG2  ILE  84          HG23      ILE  84  -4.948  -6.655  -0.932
  540   1HD1  ILE  84          HD11      ILE  84  -2.886  -6.076  -5.275
  541   2HD1  ILE  84          HD12      ILE  84  -2.956  -5.839  -3.528
  542   3HD1  ILE  84          HD13      ILE  84  -4.000  -4.895  -4.591
  543    HA   PRO  85           HA       PRO  85  -9.440  -8.100  -0.100
  544   1HB   PRO  85          HB2       PRO  85  -9.980 -10.627   0.636
  545   2HB   PRO  85          HB1       PRO  85 -10.602  -9.949  -0.874
  546   1HG   PRO  85          HG2       PRO  85  -8.221 -11.717  -0.436
  547   2HG   PRO  85          HG1       PRO  85  -9.485 -11.835  -1.675
  548   1HD   PRO  85          HD2       PRO  85  -7.053 -10.726  -2.159
  549   2HD   PRO  85          HD1       PRO  85  -8.535 -10.202  -2.981
  550    H    LYS  86           HN       LYS  86  -6.578 -10.090   0.174
  551    HA   LYS  86           HA       LYS  86  -5.630  -8.971   2.514
  552   1HB   LYS  86          HB2       LYS  86  -6.042 -10.825   4.146
  553   2HB   LYS  86          HB1       LYS  86  -7.476  -9.901   3.726
  554   1HG   LYS  86          HG2       LYS  86  -8.334 -11.994   3.588
  555   2HG   LYS  86          HG1       LYS  86  -7.750 -11.824   1.932
  556   1HD   LYS  86          HD2       LYS  86  -5.673 -12.983   2.567
  557   2HD   LYS  86          HD1       LYS  86  -6.297 -13.180   4.204
  558   1HE   LYS  86          HE2       LYS  86  -8.161 -14.500   3.337
  559   2HE   LYS  86          HE1       LYS  86  -7.550 -14.293   1.696
  560   1HZ   LYS  86          HZ1       LYS  86  -6.125 -15.675   3.905
  561   2HZ   LYS  86          HZ2       LYS  86  -5.550 -15.488   2.326
  562   3HZ   LYS  86          HZ3       LYS  86  -6.920 -16.435   2.620
  563    H    ASP  87           HN       ASP  87  -5.826 -11.751   0.417
  564    HA   ASP  87           HA       ASP  87  -3.430 -13.012   1.264
  565   1HB   ASP  87          HB2       ASP  87  -5.181 -14.198   0.004
  566   2HB   ASP  87          HB1       ASP  87  -4.856 -13.185  -1.400
  567    H    TYR  88           HN       TYR  88  -4.121 -11.064  -1.656
  568    HA   TYR  88           HA       TYR  88  -1.498 -10.936  -2.574
  569   1HB   TYR  88          HB2       TYR  88  -3.889  -9.161  -2.996
  570   2HB   TYR  88          HB1       TYR  88  -2.328  -8.771  -3.714
  571    HD1  TYR  88           HD1      TYR  88  -5.042 -11.278  -3.627
  572    HD2  TYR  88           HD2      TYR  88  -1.528  -9.946  -5.622
  573    HE1  TYR  88           HE1      TYR  88  -5.533 -12.799  -5.494
  574    HE2  TYR  88           HE2      TYR  88  -2.011 -11.461  -7.497
  575    HH   TYR  88           HH       TYR  88  -3.274 -13.536  -7.910
  576    H    VAL  89           HN       VAL  89   0.049  -9.255  -2.528
  577    HA   VAL  89           HA       VAL  89  -0.158  -7.350  -0.310
  578    HB   VAL  89           HB       VAL  89   0.925  -9.328   0.626
  579   1HG1  VAL  89          HG11      VAL  89   1.797 -10.295  -1.420
  580   2HG1  VAL  89          HG12      VAL  89   3.085 -10.108  -0.229
  581   3HG1  VAL  89          HG13      VAL  89   2.954  -8.973  -1.573
  582   1HG2  VAL  89          HG21      VAL  89   2.563  -6.853   0.238
  583   2HG2  VAL  89          HG22      VAL  89   3.236  -8.228   1.114
  584   3HG2  VAL  89          HG23      VAL  89   1.762  -7.458   1.690
  585    H    VAL  90           HN       VAL  90   0.762  -5.421  -0.715
  586    HA   VAL  90           HA       VAL  90   2.158  -5.088  -3.260
  587    HB   VAL  90           HB       VAL  90   1.251  -2.913  -1.353
  588   1HG1  VAL  90          HG11      VAL  90   2.112  -2.812  -4.248
  589   2HG1  VAL  90          HG12      VAL  90   3.057  -2.264  -2.861
  590   3HG1  VAL  90          HG13      VAL  90   1.552  -1.448  -3.275
  591   1HG2  VAL  90          HG21      VAL  90  -0.165  -4.411  -3.497
  592   2HG2  VAL  90          HG22      VAL  90  -0.463  -2.678  -3.360
  593   3HG2  VAL  90          HG23      VAL  90  -0.780  -3.739  -1.989
  594    H    GLN  91           HN       GLN  91   4.270  -4.872  -3.385
  595    HA   GLN  91           HA       GLN  91   5.798  -4.853  -0.935
  596   1HB   GLN  91          HB2       GLN  91   6.376  -6.413  -2.775
  597   2HB   GLN  91          HB1       GLN  91   6.782  -5.028  -3.785
  598   1HG   GLN  91          HG2       GLN  91   8.117  -4.961  -1.212
  599   2HG   GLN  91          HG1       GLN  91   8.501  -6.413  -2.140
  600   1HE2  GLN  91          HE21      GLN  91   8.699  -2.944  -2.028
  601   2HE2  GLN  91          HE22      GLN  91   9.852  -2.765  -3.300
  602    H    VAL  92           HN       VAL  92   6.405  -3.071  -0.036
  603    HA   VAL  92           HA       VAL  92   6.701  -0.649  -1.661
  604    HB   VAL  92           HB       VAL  92   6.390   0.598   0.404
  605   1HG1  VAL  92          HG11      VAL  92   4.140  -0.819   1.119
  606   2HG1  VAL  92          HG12      VAL  92   4.406  -1.310  -0.564
  607   3HG1  VAL  92          HG13      VAL  92   4.225   0.400  -0.164
  608   1HG2  VAL  92          HG21      VAL  92   6.431  -2.102   1.658
  609   2HG2  VAL  92          HG22      VAL  92   5.775  -0.673   2.445
  610   3HG2  VAL  92          HG23      VAL  92   7.474  -0.715   1.983
  611    H    ILE  93           HN       ILE  93   8.401   0.910  -0.792
  612    HA   ILE  93           HA       ILE  93  10.675  -0.482   0.427
  613    HB   ILE  93           HB       ILE  93  11.207   1.423  -1.807
  614   1HG1  ILE  93          HG12      ILE  93  10.787  -1.556  -2.110
  615   2HG1  ILE  93          HG11      ILE  93   9.719  -0.308  -2.746
  616   1HG2  ILE  93          HG21      ILE  93  12.743  -0.883  -0.636
  617   2HG2  ILE  93          HG22      ILE  93  13.036   0.831  -0.336
  618   3HG2  ILE  93          HG23      ILE  93  13.300   0.159  -1.945
  619   1HD1  ILE  93          HD11      ILE  93  12.585  -0.741  -3.553
  620   2HD1  ILE  93          HD12      ILE  93  11.492   0.477  -4.210
  621   3HD1  ILE  93          HD13      ILE  93  11.165  -1.236  -4.472
  622    H    VAL  94           HN       VAL  94  11.404   0.575   2.065
  623    HA   VAL  94           HA       VAL  94  11.357   3.505   2.140
  624    HB   VAL  94           HB       VAL  94   9.502   3.222   3.496
  625   1HG1  VAL  94          HG11      VAL  94  10.737   0.691   4.588
  626   2HG1  VAL  94          HG12      VAL  94   9.437   0.791   3.400
  627   3HG1  VAL  94          HG13      VAL  94   9.168   1.350   5.050
  628   1HG2  VAL  94          HG21      VAL  94  11.576   2.738   5.619
  629   2HG2  VAL  94          HG22      VAL  94  10.107   3.710   5.712
  630   3HG2  VAL  94          HG23      VAL  94  11.475   4.266   4.747
  631    H    SER  95           HN       SER  95  13.520   3.781   1.987
  632    HA   SER  95           HA       SER  95  15.131   2.763   4.212
  633   1HB   SER  95          HB2       SER  95  15.900   2.604   1.291
  634   2HB   SER  95          HB1       SER  95  17.008   2.302   2.630
  635    HG   SER  95           HG       SER  95  16.186   0.344   1.978
  636    H    GLN  96           HN       GLN  96  14.286   5.178   4.493
  637    HA   GLN  96           HA       GLN  96  16.034   7.105   3.205
  638   1HB   GLN  96          HB2       GLN  96  14.745   8.783   4.487
  639   2HB   GLN  96          HB1       GLN  96  13.722   7.744   3.508
  640   1HG   GLN  96          HG2       GLN  96  13.205   6.411   5.519
  641   2HG   GLN  96          HG1       GLN  96  14.164   7.536   6.478
  642   1HE2  GLN  96          HE21      GLN  96  11.331   6.865   6.654
  643   2HE2  GLN  96          HE22      GLN  96  10.475   8.355   6.468
  644    HA   PRO  97           HA       PRO  97  18.863   6.549   6.691
  645   1HB   PRO  97          HB2       PRO  97  20.983   7.765   5.560
  646   2HB   PRO  97          HB1       PRO  97  20.493   6.128   5.108
  647   1HG   PRO  97          HG2       PRO  97  19.955   8.720   3.708
  648   2HG   PRO  97          HG1       PRO  97  20.451   7.160   3.022
  649   1HD   PRO  97          HD2       PRO  97  17.874   8.048   3.006
  650   2HD   PRO  97          HD1       PRO  97  18.311   6.329   3.049
  651    H    VAL  98           HN       VAL  98  18.095   9.506   4.966
  652    HA   VAL  98           HA       VAL  98  17.880  10.990   7.396
  653    HB   VAL  98           HB       VAL  98  20.338  11.048   7.063
  654   1HG1  VAL  98          HG11      VAL  98  20.401  10.932   4.635
  655   2HG1  VAL  98          HG12      VAL  98  21.275  12.350   5.213
  656   3HG1  VAL  98          HG13      VAL  98  19.662  12.529   4.525
  657   1HG2  VAL  98          HG21      VAL  98  18.968  12.925   8.104
  658   2HG2  VAL  98          HG22      VAL  98  19.205  13.791   6.585
  659   3HG2  VAL  98          HG23      VAL  98  20.596  13.328   7.563
  660    H    GLN  99           HN       GLN  99  16.174  10.336   5.226
  661    HA   GLN  99           HA       GLN  99  14.565  11.294   3.936
  662   1HB   GLN  99          HB2       GLN  99  15.577  13.883   5.127
  663   2HB   GLN  99          HB1       GLN  99  14.067  13.681   4.251
  664   1HG   GLN  99          HG2       GLN  99  13.262  12.160   5.978
  665   2HG   GLN  99          HG1       GLN  99  14.779  12.351   6.856
  666   1HE2  GLN  99          HE21      GLN  99  12.046  12.954   7.681
  667   2HE2  GLN  99          HE22      GLN  99  12.033  14.628   8.108
  668    H    ASN 100           HN       ASN 100  15.150  10.924   1.879
  669    HA   ASN 100           HA       ASN 100  17.367  12.201   0.618
  670   1HB   ASN 100          HB2       ASN 100  15.162  10.390  -0.303
  671   2HB   ASN 100          HB1       ASN 100  16.170  11.207  -1.492
  672   1HD2  ASN 100          HD21      ASN 100  17.315  10.116   1.644
  673   2HD2  ASN 100          HD22      ASN 100  18.352   8.878   1.038
  Start of MODEL   13
    1    H    GLY  21           H        GLY  21 -18.286  -5.534   5.837
    2   1HA   GLY  21          HA1       GLY  21 -20.567  -5.060   5.231
    3   2HA   GLY  21          HA2       GLY  21 -20.418  -3.472   5.968
    4    H    TYR  22           HN       TYR  22 -19.041  -5.532   3.430
    5    HA   TYR  22           HA       TYR  22 -18.200  -5.055   1.373
    6   1HB   TYR  22          HB2       TYR  22 -20.440  -4.003   1.104
    7   2HB   TYR  22          HB1       TYR  22 -19.758  -2.476   1.653
    8    HD1  TYR  22           HD1      TYR  22 -18.445  -1.110   0.188
    9    HD2  TYR  22           HD2      TYR  22 -19.759  -4.957  -1.073
   10    HE1  TYR  22           HE1      TYR  22 -17.799  -0.568  -2.122
   11    HE2  TYR  22           HE2      TYR  22 -19.115  -4.425  -3.386
   12    HH   TYR  22           HH       TYR  22 -17.198  -1.736  -4.188
   13    H    GLU  23           HN       GLU  23 -16.179  -4.863   2.751
   14    HA   GLU  23           HA       GLU  23 -14.997  -2.197   2.339
   15   1HB   GLU  23          HB2       GLU  23 -14.515  -4.072   4.662
   16   2HB   GLU  23          HB1       GLU  23 -13.623  -2.586   4.368
   17   1HG   GLU  23          HG2       GLU  23 -16.578  -2.782   4.907
   18   2HG   GLU  23          HG1       GLU  23 -15.345  -2.296   6.069
   19    H    CYS  24           HN       CYS  24 -12.532  -2.330   2.402
   20    HA   CYS  24           HA       CYS  24 -11.586  -4.810   1.135
   21   1HB   CYS  24          HB2       CYS  24 -10.675  -2.084   0.217
   22   2HB   CYS  24          HB1       CYS  24 -10.468  -3.631  -0.595
   23    HG   CYS  24           HG       CYS  24 -13.388  -1.877  -0.284
   24    H    GLN  25           HN       GLN  25  -9.300  -5.204   1.369
   25    HA   GLN  25           HA       GLN  25  -7.633  -3.533   2.938
   26   1HB   GLN  25          HB2       GLN  25  -7.449  -4.973   4.919
   27   2HB   GLN  25          HB1       GLN  25  -9.073  -4.323   4.750
   28   1HG   GLN  25          HG2       GLN  25  -9.830  -6.443   3.810
   29   2HG   GLN  25          HG1       GLN  25  -8.200  -7.095   3.969
   30   1HE2  GLN  25          HE21      GLN  25 -10.713  -8.000   5.154
   31   2HE2  GLN  25          HE22      GLN  25 -10.462  -7.999   6.863
   32    H    LEU  26           HN       LEU  26  -5.566  -4.062   2.585
   33    HA   LEU  26           HA       LEU  26  -4.943  -6.773   1.634
   34   1HB   LEU  26          HB2       LEU  26  -3.735  -6.029  -0.242
   35   2HB   LEU  26          HB1       LEU  26  -5.267  -5.180  -0.287
   36    HG   LEU  26           HG       LEU  26  -2.647  -4.015   0.654
   37   1HD1  LEU  26          HD11      LEU  26  -4.191  -3.226  -1.792
   38   2HD1  LEU  26          HD12      LEU  26  -2.980  -4.506  -1.833
   39   3HD1  LEU  26          HD13      LEU  26  -2.515  -2.871  -1.374
   40   1HD2  LEU  26          HD21      LEU  26  -4.257  -2.858   1.856
   41   2HD2  LEU  26          HD22      LEU  26  -5.445  -2.958   0.559
   42   3HD2  LEU  26          HD23      LEU  26  -4.067  -1.870   0.409
   43    H    ARG  27           HN       ARG  27  -2.510  -7.115   1.475
   44    HA   ARG  27           HA       ARG  27  -1.357  -6.067   3.948
   45   1HB   ARG  27          HB2       ARG  27  -0.581  -8.402   2.202
   46   2HB   ARG  27          HB1       ARG  27   0.315  -7.907   3.631
   47   1HG   ARG  27          HG2       ARG  27  -1.650  -8.333   5.014
   48   2HG   ARG  27          HG1       ARG  27  -2.553  -8.824   3.581
   49   1HD   ARG  27          HD2       ARG  27  -0.961 -10.644   3.206
   50   2HD   ARG  27          HD1       ARG  27  -0.059 -10.151   4.639
   51    HE   ARG  27           HE       ARG  27  -2.807 -10.692   5.211
   52   1HH1  ARG  27          HH11      ARG  27   0.314 -12.177   4.721
   53   2HH1  ARG  27          HH12      ARG  27  -0.068 -13.582   5.657
   54   1HH2  ARG  27          HH21      ARG  27  -3.310 -12.538   6.446
   55   2HH2  ARG  27          HH22      ARG  27  -2.125 -13.788   6.637
   56    H    LEU  28           HN       LEU  28   0.879  -5.425   4.028
   57    HA   LEU  28           HA       LEU  28   1.956  -4.439   1.459
   58   1HB   LEU  28          HB2       LEU  28   1.907  -3.024   4.124
   59   2HB   LEU  28          HB1       LEU  28   2.884  -2.510   2.768
   60    HG   LEU  28           HG       LEU  28   0.841  -1.175   2.988
   61   1HD1  LEU  28          HD11      LEU  28   1.830  -1.372   0.814
   62   2HD1  LEU  28          HD12      LEU  28   0.074  -1.413   0.649
   63   3HD1  LEU  28          HD13      LEU  28   1.007  -2.906   0.535
   64   1HD2  LEU  28          HD21      LEU  28  -0.882  -3.363   2.012
   65   2HD2  LEU  28          HD22      LEU  28  -1.258  -2.008   3.076
   66   3HD2  LEU  28          HD23      LEU  28  -0.427  -3.426   3.713
   67    H    ARG  29           HN       ARG  29   4.284  -4.106   1.495
   68    HA   ARG  29           HA       ARG  29   5.718  -5.567   3.601
   69   1HB   ARG  29          HB2       ARG  29   5.412  -7.027   1.595
   70   2HB   ARG  29          HB1       ARG  29   6.293  -5.841   0.642
   71   1HG   ARG  29          HG2       ARG  29   7.871  -7.478   1.161
   72   2HG   ARG  29          HG1       ARG  29   8.199  -6.170   2.299
   73   1HD   ARG  29          HD2       ARG  29   8.266  -8.297   3.452
   74   2HD   ARG  29          HD1       ARG  29   6.882  -7.357   4.007
   75    HE   ARG  29           HE       ARG  29   5.902  -8.923   1.991
   76   1HH1  ARG  29          HH11      ARG  29   7.555  -9.515   5.006
   77   2HH1  ARG  29          HH12      ARG  29   6.812 -11.059   5.253
   78   1HH2  ARG  29          HH21      ARG  29   4.917 -10.946   2.319
   79   2HH2  ARG  29          HH22      ARG  29   5.313 -11.873   3.727
   80    H    LEU  30           HN       LEU  30   6.546  -3.738   4.523
   81    HA   LEU  30           HA       LEU  30   7.919  -1.826   2.793
   82   1HB   LEU  30          HB2       LEU  30   7.827  -1.117   5.577
   83   2HB   LEU  30          HB1       LEU  30   7.288  -0.201   4.184
   84    HG   LEU  30           HG       LEU  30   5.591  -2.400   5.342
   85   1HD1  LEU  30          HD11      LEU  30   6.158  -0.868   7.160
   86   2HD1  LEU  30          HD12      LEU  30   4.458  -0.761   6.705
   87   3HD1  LEU  30          HD13      LEU  30   5.589   0.485   6.182
   88   1HD2  LEU  30          HD21      LEU  30   4.915   0.089   3.793
   89   2HD2  LEU  30          HD22      LEU  30   3.772  -1.124   4.361
   90   3HD2  LEU  30          HD23      LEU  30   4.969  -1.549   3.141
   91    H    SER  31           HN       SER  31   9.839  -0.715   3.848
   92    HA   SER  31           HA       SER  31  12.054  -0.880   4.338
   93   1HB   SER  31          HB2       SER  31  12.590  -1.823   6.517
   94   2HB   SER  31          HB1       SER  31  11.078  -0.921   6.611
   95    HG   SER  31           HG       SER  31  11.391  -3.735   6.439
   96    H    THR  32           HN       THR  32  10.482  -3.385   3.054
   97    HA   THR  32           HA       THR  32  11.304  -5.012   1.642
   98    HB   THR  32           HB       THR  32  13.561  -5.754   1.578
   99    HG1  THR  32           HG1      THR  32  14.002  -5.976   3.779
  100   1HG2  THR  32          HG21      THR  32  13.257  -3.568   0.585
  101   2HG2  THR  32          HG22      THR  32  14.841  -3.654   1.353
  102   3HG2  THR  32          HG23      THR  32  13.526  -2.788   2.142
  103    H    GLY  33           HN       GLY  33  10.226  -5.020   4.509
  104   1HA   GLY  33          HA2       GLY  33   9.753  -7.770   4.710
  105   2HA   GLY  33          HA1       GLY  33  11.123  -7.403   5.760
  106    H    LYS  34           HN       LYS  34   8.531  -5.167   5.080
  107    HA   LYS  34           HA       LYS  34   7.683  -5.381   7.890
  108   1HB   LYS  34          HB2       LYS  34   8.756  -3.228   6.606
  109   2HB   LYS  34          HB1       LYS  34   7.051  -2.927   6.392
  110   1HG   LYS  34          HG2       LYS  34   8.647  -3.091   8.889
  111   2HG   LYS  34          HG1       LYS  34   7.597  -1.791   8.343
  112   1HD   LYS  34          HD2       LYS  34   6.742  -4.509   9.334
  113   2HD   LYS  34          HD1       LYS  34   6.579  -2.979  10.196
  114   1HE   LYS  34          HE2       LYS  34   5.402  -2.988   7.517
  115   2HE   LYS  34          HE1       LYS  34   4.669  -4.123   8.640
  116   1HZ   LYS  34          HZ1       LYS  34   3.567  -1.984   8.726
  117   2HZ   LYS  34          HZ2       LYS  34   5.025  -1.215   9.104
  118   3HZ   LYS  34          HZ3       LYS  34   4.335  -2.301  10.201
  119    H    ASP  35           HN       ASP  35   6.128  -6.988   7.380
  120    HA   ASP  35           HA       ASP  35   4.087  -6.354   5.447
  121   1HB   ASP  35          HB2       ASP  35   4.976  -8.616   5.439
  122   2HB   ASP  35          HB1       ASP  35   4.522  -8.827   7.134
  123    H    LEU  36           HN       LEU  36   2.418  -5.337   5.931
  124    HA   LEU  36           HA       LEU  36   0.883  -5.825   8.318
  125   1HB   LEU  36          HB2       LEU  36   2.546  -4.063   8.994
  126   2HB   LEU  36          HB1       LEU  36   1.860  -3.020   7.762
  127    HG   LEU  36           HG       LEU  36  -0.292  -3.028   8.915
  128   1HD1  LEU  36          HD11      LEU  36  -0.236  -5.250   9.869
  129   2HD1  LEU  36          HD12      LEU  36  -0.493  -4.055  11.141
  130   3HD1  LEU  36          HD13      LEU  36   1.097  -4.788  10.928
  131   1HD2  LEU  36          HD21      LEU  36   0.442  -1.881  11.023
  132   2HD2  LEU  36          HD22      LEU  36   1.174  -1.269   9.541
  133   3HD2  LEU  36          HD23      LEU  36   2.097  -2.328  10.607
  134    H    LYS  37           HN       LYS  37  -1.236  -5.649   7.825
  135    HA   LYS  37           HA       LYS  37  -1.835  -4.720   5.130
  136   1HB   LYS  37          HB2       LYS  37  -3.580  -6.188   5.089
  137   2HB   LYS  37          HB1       LYS  37  -2.491  -7.016   6.178
  138   1HG   LYS  37          HG2       LYS  37  -4.806  -5.302   7.058
  139   2HG   LYS  37          HG1       LYS  37  -4.833  -7.062   6.936
  140   1HD   LYS  37          HD2       LYS  37  -3.013  -7.196   8.576
  141   2HD   LYS  37          HD1       LYS  37  -3.008  -5.437   8.708
  142   1HE   LYS  37          HE2       LYS  37  -5.314  -7.259   9.388
  143   2HE   LYS  37          HE1       LYS  37  -4.246  -6.468  10.547
  144   1HZ   LYS  37          HZ1       LYS  37  -5.022  -4.323   9.737
  145   2HZ   LYS  37          HZ2       LYS  37  -6.317  -5.258  10.296
  146   3HZ   LYS  37          HZ3       LYS  37  -6.053  -5.089   8.634
  147    H    LEU  38           HN       LEU  38  -2.974  -3.003   4.651
  148    HA   LEU  38           HA       LEU  38  -4.167  -1.452   6.845
  149   1HB   LEU  38          HB2       LEU  38  -2.567  -0.074   5.856
  150   2HB   LEU  38          HB1       LEU  38  -2.880  -0.701   4.247
  151    HG   LEU  38           HG       LEU  38  -5.109   0.511   4.331
  152   1HD1  LEU  38          HD11      LEU  38  -3.838   2.036   6.592
  153   2HD1  LEU  38          HD12      LEU  38  -5.026   0.760   6.848
  154   3HD1  LEU  38          HD13      LEU  38  -5.468   2.205   5.939
  155   1HD2  LEU  38          HD21      LEU  38  -3.156   1.322   3.079
  156   2HD2  LEU  38          HD22      LEU  38  -2.611   2.193   4.513
  157   3HD2  LEU  38          HD23      LEU  38  -4.127   2.641   3.730
  158    H    VAL  39           HN       VAL  39  -6.246  -0.622   6.635
  159    HA   VAL  39           HA       VAL  39  -7.993  -2.140   4.900
  160    HB   VAL  39           HB       VAL  39  -8.621  -1.755   7.251
  161   1HG1  VAL  39          HG11      VAL  39  -9.391   0.462   7.967
  162   2HG1  VAL  39          HG12      VAL  39  -8.852   1.138   6.431
  163   3HG1  VAL  39          HG13      VAL  39  -7.676   0.464   7.558
  164   1HG2  VAL  39          HG21      VAL  39 -10.359  -2.197   5.606
  165   2HG2  VAL  39          HG22      VAL  39 -10.483  -0.474   5.253
  166   3HG2  VAL  39          HG23      VAL  39 -10.944  -1.082   6.842
  167    H    VAL  40           HN       VAL  40  -8.941  -1.445   3.099
  168    HA   VAL  40           HA       VAL  40  -8.951   1.425   2.479
  169    HB   VAL  40           HB       VAL  40  -8.335   0.834   0.101
  170   1HG1  VAL  40          HG11      VAL  40  -6.272   0.298   2.233
  171   2HG1  VAL  40          HG12      VAL  40  -6.744   1.882   1.618
  172   3HG1  VAL  40          HG13      VAL  40  -5.933   0.729   0.558
  173   1HG2  VAL  40          HG21      VAL  40  -8.786  -1.538   0.144
  174   2HG2  VAL  40          HG22      VAL  40  -7.575  -1.778   1.406
  175   3HG2  VAL  40          HG23      VAL  40  -7.078  -1.277  -0.210
  176    H    ARG  41           HN       ARG  41 -10.377   1.844   0.493
  177    HA   ARG  41           HA       ARG  41 -12.393  -0.119  -0.050
  178   1HB   ARG  41          HB2       ARG  41 -13.184   0.786   2.084
  179   2HB   ARG  41          HB1       ARG  41 -13.120   2.414   1.427
  180   1HG   ARG  41          HG2       ARG  41 -14.790   0.386   0.036
  181   2HG   ARG  41          HG1       ARG  41 -15.372   1.073   1.554
  182   1HD   ARG  41          HD2       ARG  41 -14.620   2.579  -0.947
  183   2HD   ARG  41          HD1       ARG  41 -16.235   2.355  -0.297
  184    HE   ARG  41           HE       ARG  41 -14.705   3.584   1.674
  185   1HH1  ARG  41          HH11      ARG  41 -15.919   4.297  -1.518
  186   2HH1  ARG  41          HH12      ARG  41 -16.003   6.005  -1.241
  187   1HH2  ARG  41          HH21      ARG  41 -14.814   5.830   2.041
  188   2HH2  ARG  41          HH22      ARG  41 -15.375   6.875   0.780
  189    H    SER  42           HN       SER  42 -12.095   0.058  -2.177
  190    HA   SER  42           HA       SER  42 -11.943   0.877  -4.271
  191   1HB   SER  42          HB2       SER  42 -13.969   2.027  -5.006
  192   2HB   SER  42          HB1       SER  42 -14.352   0.714  -3.892
  193    HG   SER  42           HG       SER  42 -14.415   3.495  -3.456
  194    H    THR  43           HN       THR  43 -12.567   3.688  -2.157
  195    HA   THR  43           HA       THR  43 -11.147   5.383  -4.038
  196    HB   THR  43           HB       THR  43 -13.182   6.286  -3.040
  197    HG1  THR  43           HG1      THR  43 -10.859   7.588  -2.019
  198   1HG2  THR  43          HG21      THR  43 -11.732   5.986  -0.407
  199   2HG2  THR  43          HG22      THR  43 -13.162   5.090  -0.917
  200   3HG2  THR  43          HG23      THR  43 -13.263   6.828  -0.637
  201    H    ASP  44           HN       ASP  44 -10.390   3.434  -1.395
  202    HA   ASP  44           HA       ASP  44  -8.169   5.150  -0.564
  203   1HB   ASP  44          HB2       ASP  44  -9.016   2.522   0.652
  204   2HB   ASP  44          HB1       ASP  44  -7.890   3.690   1.332
  205    H    THR  45           HN       THR  45  -7.976   4.069  -3.139
  206    HA   THR  45           HA       THR  45  -6.526   1.690  -3.397
  207    HB   THR  45           HB       THR  45  -5.638   2.701  -5.506
  208    HG1  THR  45           HG1      THR  45  -7.224   4.944  -4.744
  209   1HG2  THR  45          HG21      THR  45  -8.451   2.378  -4.759
  210   2HG2  THR  45          HG22      THR  45  -7.561   1.706  -6.124
  211   3HG2  THR  45          HG23      THR  45  -8.197   3.349  -6.208
  212    H    VAL  46           HN       VAL  46  -4.196   1.618  -4.147
  213    HA   VAL  46           HA       VAL  46  -2.350   1.843  -2.312
  214    HB   VAL  46           HB       VAL  46  -2.092   2.264  -5.247
  215   1HG1  VAL  46          HG11      VAL  46  -0.379   3.739  -4.446
  216   2HG1  VAL  46          HG12      VAL  46   0.386   2.249  -4.998
  217   3HG1  VAL  46          HG13      VAL  46   0.168   2.543  -3.271
  218   1HG2  VAL  46          HG21      VAL  46  -2.424   0.032  -4.093
  219   2HG2  VAL  46          HG22      VAL  46  -0.790   0.219  -3.443
  220   3HG2  VAL  46          HG23      VAL  46  -1.050   0.147  -5.190
  221    H    PHE  47           HN       PHE  47  -3.532   4.679  -4.016
  222    HA   PHE  47           HA       PHE  47  -1.542   6.492  -3.118
  223   1HB   PHE  47          HB2       PHE  47  -2.937   7.098  -4.977
  224   2HB   PHE  47          HB1       PHE  47  -4.397   6.913  -4.023
  225    HD1  PHE  47           HD1      PHE  47  -5.033   8.602  -2.391
  226    HD2  PHE  47           HD2      PHE  47  -1.559   9.058  -4.806
  227    HE1  PHE  47           HE1      PHE  47  -4.945  10.990  -1.806
  228    HE2  PHE  47           HE2      PHE  47  -1.463  11.446  -4.224
  229    HZ   PHE  47           HZ       PHE  47  -3.157  12.414  -2.722
  230    H    HIS  48           HN       HIS  48  -4.933   6.187  -2.004
  231    HA   HIS  48           HA       HIS  48  -4.411   7.550   0.417
  232   1HB   HIS  48          HB2       HIS  48  -6.569   5.525  -0.184
  233   2HB   HIS  48          HB1       HIS  48  -6.535   6.618   1.201
  234    HD1  HIS  48           HD1      HIS  48  -6.738   6.771  -2.587
  235    HD2  HIS  48           HD2      HIS  48  -7.710   9.036   0.759
  236    HE1  HIS  48           HE1      HIS  48  -8.013   8.752  -3.465
  237    HE2  HIS  48           HE2      HIS  48  -8.667  10.063  -1.415
  238    H    MET  49           HN       MET  49  -4.484   4.165  -0.542
  239    HA   MET  49           HA       MET  49  -3.988   2.834   1.772
  240   1HB   MET  49          HB2       MET  49  -4.074   1.936  -0.651
  241   2HB   MET  49          HB1       MET  49  -2.359   2.310  -0.694
  242   1HG   MET  49          HG2       MET  49  -2.191   0.863   1.415
  243   2HG   MET  49          HG1       MET  49  -3.784   0.263   0.948
  244   1HE   MET  49          HE1       MET  49  -3.620   0.385  -2.209
  245   2HE   MET  49          HE2       MET  49  -4.271  -1.011  -1.354
  246   3HE   MET  49          HE3       MET  49  -3.049  -1.236  -2.606
  247    H    LYS  50           HN       LYS  50  -1.800   4.595  -0.289
  248    HA   LYS  50           HA       LYS  50   0.551   4.231   1.259
  249   1HB   LYS  50          HB2       LYS  50   0.755   4.726  -1.094
  250   2HB   LYS  50          HB1       LYS  50  -0.182   6.198  -0.916
  251   1HG   LYS  50          HG2       LYS  50   1.597   7.180   0.430
  252   2HG   LYS  50          HG1       LYS  50   2.534   5.695   0.267
  253   1HD   LYS  50          HD2       LYS  50   3.458   6.969  -1.406
  254   2HD   LYS  50          HD1       LYS  50   2.190   6.127  -2.296
  255   1HE   LYS  50          HE2       LYS  50   1.877   8.870  -1.089
  256   2HE   LYS  50          HE1       LYS  50   2.330   8.575  -2.766
  257   1HZ   LYS  50          HZ1       LYS  50  -0.237   8.021  -1.425
  258   2HZ   LYS  50          HZ2       LYS  50   0.195   7.196  -2.836
  259   3HZ   LYS  50          HZ3       LYS  50   0.052   8.880  -2.854
  260    H    ARG  51           HN       ARG  51  -1.994   6.648   1.022
  261    HA   ARG  51           HA       ARG  51  -0.918   8.644   2.592
  262   1HB   ARG  51          HB2       ARG  51  -3.755   7.759   2.180
  263   2HB   ARG  51          HB1       ARG  51  -3.368   9.093   3.251
  264   1HG   ARG  51          HG2       ARG  51  -2.598   8.972   0.345
  265   2HG   ARG  51          HG1       ARG  51  -4.025   9.799   0.975
  266   1HD   ARG  51          HD2       ARG  51  -2.514  11.158   2.418
  267   2HD   ARG  51          HD1       ARG  51  -1.140  10.413   1.600
  268    HE   ARG  51           HE       ARG  51  -2.576  11.416  -0.448
  269   1HH1  ARG  51          HH11      ARG  51  -1.431  12.812   2.540
  270   2HH1  ARG  51          HH12      ARG  51  -1.279  14.406   1.883
  271   1HH2  ARG  51          HH21      ARG  51  -2.377  13.518  -1.312
  272   2HH2  ARG  51          HH22      ARG  51  -1.816  14.808  -0.302
  273    H    ARG  52           HN       ARG  52  -3.232   6.180   3.653
  274    HA   ARG  52           HA       ARG  52  -2.839   6.547   6.399
  275   1HB   ARG  52          HB2       ARG  52  -3.844   4.135   4.882
  276   2HB   ARG  52          HB1       ARG  52  -3.940   4.320   6.627
  277   1HG   ARG  52          HG2       ARG  52  -5.324   6.339   6.298
  278   2HG   ARG  52          HG1       ARG  52  -5.292   6.041   4.560
  279   1HD   ARG  52          HD2       ARG  52  -6.373   3.882   4.899
  280   2HD   ARG  52          HD1       ARG  52  -6.376   4.147   6.642
  281    HE   ARG  52           HE       ARG  52  -7.708   6.219   5.166
  282   1HH1  ARG  52          HH11      ARG  52  -8.076   3.075   6.636
  283   2HH1  ARG  52          HH12      ARG  52  -9.788   3.234   6.843
  284   1HH2  ARG  52          HH21      ARG  52  -9.959   6.430   5.438
  285   2HH2  ARG  52          HH22      ARG  52 -10.858   5.139   6.163
  286    H    LEU  53           HN       LEU  53  -0.971   4.867   4.002
  287    HA   LEU  53           HA       LEU  53   0.331   2.978   5.598
  288   1HB   LEU  53          HB2       LEU  53   0.679   4.096   3.003
  289   2HB   LEU  53          HB1       LEU  53   2.237   4.080   3.801
  290    HG   LEU  53           HG       LEU  53   1.868   2.048   2.470
  291   1HD1  LEU  53          HD11      LEU  53   3.226   2.037   4.578
  292   2HD1  LEU  53          HD12      LEU  53   2.569   0.470   4.105
  293   3HD1  LEU  53          HD13      LEU  53   1.809   1.389   5.405
  294   1HD2  LEU  53          HD21      LEU  53   0.166   0.429   3.697
  295   2HD2  LEU  53          HD22      LEU  53  -0.344   1.515   2.407
  296   3HD2  LEU  53          HD23      LEU  53  -0.615   1.958   4.092
  297    H    HIS  54           HN       HIS  54   1.442   6.275   4.775
  298    HA   HIS  54           HA       HIS  54   3.562   6.365   6.587
  299   1HB   HIS  54          HB2       HIS  54   3.401   8.045   4.886
  300   2HB   HIS  54          HB1       HIS  54   1.811   8.548   5.441
  301    HD1  HIS  54           HD1      HIS  54   1.712  10.307   7.249
  302    HD2  HIS  54           HD2      HIS  54   5.562   8.904   6.572
  303    HE1  HIS  54           HE1      HIS  54   3.224  11.841   8.546
  304    HE2  HIS  54           HE2      HIS  54   5.540  10.911   8.203
  305    H    ALA  55           HN       ALA  55   0.131   7.044   6.946
  306    HA   ALA  55           HA       ALA  55   0.222   8.174   9.525
  307   1HB   ALA  55          HB1       ALA  55  -2.021   6.622   8.243
  308   2HB   ALA  55          HB2       ALA  55  -1.716   8.347   8.042
  309   3HB   ALA  55          HB3       ALA  55  -2.162   7.708   9.625
  310    H    ALA  56           HN       ALA  56  -0.064   4.790   8.473
  311    HA   ALA  56           HA       ALA  56  -0.294   3.889  11.228
  312   1HB   ALA  56          HB1       ALA  56  -0.215   2.288   8.677
  313   2HB   ALA  56          HB2       ALA  56  -1.674   2.844   9.498
  314   3HB   ALA  56          HB3       ALA  56  -0.611   1.676  10.283
  315    H    GLU  57           HN       GLU  57   2.003   3.609   8.532
  316    HA   GLU  57           HA       GLU  57   3.885   2.171  10.219
  317   1HB   GLU  57          HB2       GLU  57   4.457   3.110   7.427
  318   2HB   GLU  57          HB1       GLU  57   5.100   1.709   8.273
  319   1HG   GLU  57          HG2       GLU  57   2.305   2.047   7.213
  320   2HG   GLU  57          HG1       GLU  57   3.563   0.997   6.568
  321    H    GLY  58           HN       GLY  58   4.185   5.009   8.070
  322   1HA   GLY  58          HA2       GLY  58   4.888   7.078   9.430
  323   2HA   GLY  58          HA1       GLY  58   6.234   6.050   9.914
  324    H    VAL  59           HN       VAL  59   5.811   5.003   6.926
  325    HA   VAL  59           HA       VAL  59   7.843   6.764   5.855
  326    HB   VAL  59           HB       VAL  59   6.623   4.246   4.712
  327   1HG1  VAL  59          HG11      VAL  59   9.258   5.400   3.903
  328   2HG1  VAL  59          HG12      VAL  59   7.771   5.995   3.171
  329   3HG1  VAL  59          HG13      VAL  59   8.205   4.293   3.022
  330   1HG2  VAL  59          HG21      VAL  59   7.831   3.908   6.836
  331   2HG2  VAL  59          HG22      VAL  59   9.260   4.648   6.115
  332   3HG2  VAL  59          HG23      VAL  59   8.632   3.132   5.470
  333    H    GLU  60           HN       GLU  60   7.023   8.618   5.085
  334    HA   GLU  60           HA       GLU  60   4.517   8.900   3.797
  335   1HB   GLU  60          HB2       GLU  60   5.332  11.164   3.215
  336   2HB   GLU  60          HB1       GLU  60   5.561  10.784   4.915
  337   1HG   GLU  60          HG2       GLU  60   7.911  10.298   4.498
  338   2HG   GLU  60          HG1       GLU  60   7.684  10.652   2.787
  339    HA   PRO  61           HA       PRO  61   4.802   7.958  -0.492
  340   1HB   PRO  61          HB2       PRO  61   5.079  10.720  -1.361
  341   2HB   PRO  61          HB1       PRO  61   3.728   9.615  -1.589
  342   1HG   PRO  61          HG2       PRO  61   4.087  11.705   0.417
  343   2HG   PRO  61          HG1       PRO  61   2.614  10.837  -0.042
  344   1HD   PRO  61          HD2       PRO  61   3.842  10.492   2.352
  345   2HD   PRO  61          HD1       PRO  61   2.941   9.195   1.539
  346    H    GLY  62           HN       GLY  62   6.871  10.797   0.184
  347   1HA   GLY  62          HA2       GLY  62   8.794  10.295  -1.763
  348   2HA   GLY  62          HA1       GLY  62   9.078  11.200  -0.287
  349    H    SER  63           HN       SER  63   8.344   8.740   1.316
  350    HA   SER  63           HA       SER  63  10.991   7.484   1.127
  351   1HB   SER  63          HB2       SER  63   9.026   7.455   3.431
  352   2HB   SER  63          HB1       SER  63  10.671   6.826   3.450
  353    HG   SER  63           HG       SER  63   9.925   9.238   4.070
  354    H    GLN  64           HN       GLN  64   7.571   6.890   1.057
  355    HA   GLN  64           HA       GLN  64   8.034   4.016   0.882
  356   1HB   GLN  64          HB2       GLN  64   6.012   3.739   1.812
  357   2HB   GLN  64          HB1       GLN  64   6.200   5.401   2.297
  358   1HG   GLN  64          HG2       GLN  64   4.057   5.332   1.469
  359   2HG   GLN  64          HG1       GLN  64   4.983   5.973   0.114
  360   1HE2  GLN  64          HE21      GLN  64   3.218   3.267   1.369
  361   2HE2  GLN  64          HE22      GLN  64   3.082   2.397  -0.117
  362    H    ARG  65           HN       ARG  65   8.346   3.190  -1.044
  363    HA   ARG  65           HA       ARG  65   6.964   4.398  -3.347
  364   1HB   ARG  65          HB2       ARG  65   9.510   2.791  -3.164
  365   2HB   ARG  65          HB1       ARG  65   8.706   3.128  -4.691
  366   1HG   ARG  65          HG2       ARG  65   8.988   5.507  -4.353
  367   2HG   ARG  65          HG1       ARG  65   9.709   5.218  -2.769
  368   1HD   ARG  65          HD2       ARG  65  10.853   4.111  -5.323
  369   2HD   ARG  65          HD1       ARG  65  11.321   5.677  -4.662
  370    HE   ARG  65           HE       ARG  65  11.675   3.935  -2.594
  371   1HH1  ARG  65          HH11      ARG  65  12.839   4.106  -5.878
  372   2HH1  ARG  65          HH12      ARG  65  14.341   3.322  -5.520
  373   1HH2  ARG  65          HH21      ARG  65  13.650   2.905  -2.119
  374   2HH2  ARG  65          HH22      ARG  65  14.802   2.640  -3.385
  375    H    TRP  66           HN       TRP  66   5.380   3.313  -4.252
  376    HA   TRP  66           HA       TRP  66   4.492   0.805  -3.262
  377   1HB   TRP  66          HB2       TRP  66   2.853   1.030  -5.248
  378   2HB   TRP  66          HB1       TRP  66   2.780   2.228  -3.961
  379    HD1  TRP  66           HD1      TRP  66   4.570   1.926  -7.414
  380    HE1  TRP  66           HE1      TRP  66   4.501   4.236  -8.535
  381    HE3  TRP  66           HE3      TRP  66   2.220   4.556  -3.712
  382    HZ2  TRP  66           HZ2      TRP  66   3.577   6.831  -7.935
  383    HZ3  TRP  66           HZ3      TRP  66   1.781   6.951  -4.068
  384    HH2  TRP  66           HH2      TRP  66   2.447   8.063  -6.136
  385    H    PHE  67           HN       PHE  67   5.016  -1.196  -3.857
  386    HA   PHE  67           HA       PHE  67   5.775  -1.726  -6.618
  387   1HB   PHE  67          HB2       PHE  67   7.578  -2.262  -4.271
  388   2HB   PHE  67          HB1       PHE  67   7.741  -3.121  -5.798
  389    HD1  PHE  67           HD1      PHE  67   8.599  -0.189  -3.973
  390    HD2  PHE  67           HD2      PHE  67   8.083  -1.729  -7.906
  391    HE1  PHE  67           HE1      PHE  67   9.972   1.644  -4.871
  392    HE2  PHE  67           HE2      PHE  67   9.456   0.102  -8.809
  393    HZ   PHE  67           HZ       PHE  67  10.403   1.793  -7.289
  394    H    PHE  68           HN       PHE  68   4.397  -3.256  -7.198
  395    HA   PHE  68           HA       PHE  68   3.757  -5.406  -5.301
  396   1HB   PHE  68          HB2       PHE  68   1.833  -4.120  -6.150
  397   2HB   PHE  68          HB1       PHE  68   2.285  -4.539  -7.798
  398    HD1  PHE  68           HD1      PHE  68   2.067  -6.860  -8.588
  399    HD2  PHE  68           HD2      PHE  68   0.682  -5.656  -4.749
  400    HE1  PHE  68           HE1      PHE  68   0.707  -8.905  -8.442
  401    HE2  PHE  68           HE2      PHE  68  -0.680  -7.700  -4.595
  402    HZ   PHE  68           HZ       PHE  68  -0.668  -9.328  -6.443
  403    H    SER  69           HN       SER  69   4.923  -7.185  -5.600
  404    HA   SER  69           HA       SER  69   5.963  -8.949  -6.581
  405   1HB   SER  69          HB2       SER  69   3.834  -9.284  -7.740
  406   2HB   SER  69          HB1       SER  69   4.323  -8.146  -8.996
  407    HG   SER  69           HG       SER  69   5.484 -10.661  -8.391
  408    H    GLY  70           HN       GLY  70   6.827  -5.964  -7.055
  409   1HA   GLY  70          HA2       GLY  70   9.100  -5.462  -7.646
  410   2HA   GLY  70          HA1       GLY  70   9.009  -6.707  -8.888
  411    H    ARG  71           HN       ARG  71   6.237  -4.736  -8.718
  412    HA   ARG  71           HA       ARG  71   7.252  -3.019 -10.888
  413   1HB   ARG  71          HB2       ARG  71   4.503  -4.271 -10.717
  414   2HB   ARG  71          HB1       ARG  71   5.067  -3.196 -11.988
  415   1HG   ARG  71          HG2       ARG  71   6.705  -4.841 -12.690
  416   2HG   ARG  71          HG1       ARG  71   6.216  -5.912 -11.373
  417   1HD   ARG  71          HD2       ARG  71   3.960  -6.038 -12.332
  418   2HD   ARG  71          HD1       ARG  71   4.469  -4.990 -13.653
  419    HE   ARG  71           HE       ARG  71   5.726  -6.746 -14.548
  420   1HH1  ARG  71          HH11      ARG  71   4.168  -7.698 -11.566
  421   2HH1  ARG  71          HH12      ARG  71   4.372  -9.391 -11.860
  422   1HH2  ARG  71          HH21      ARG  71   5.991  -8.973 -14.926
  423   2HH2  ARG  71          HH22      ARG  71   5.406 -10.114 -13.762
  424    HA   PRO  72           HA       PRO  72   5.717   0.333  -8.449
  425   1HB   PRO  72          HB2       PRO  72   5.178   2.169 -10.380
  426   2HB   PRO  72          HB1       PRO  72   6.822   1.758  -9.876
  427   1HG   PRO  72          HG2       PRO  72   5.270   0.797 -12.250
  428   2HG   PRO  72          HG1       PRO  72   6.969   1.298 -12.151
  429   1HD   PRO  72          HD2       PRO  72   6.221  -1.303 -12.176
  430   2HD   PRO  72          HD1       PRO  72   7.649  -0.731 -11.288
  431    H    LEU  73           HN       LEU  73   3.787   0.147  -7.467
  432    HA   LEU  73           HA       LEU  73   1.410  -0.467  -8.981
  433   1HB   LEU  73          HB2       LEU  73   2.185  -1.026  -6.455
  434   2HB   LEU  73          HB1       LEU  73   1.138   0.348  -6.157
  435   1HD1  LEU  73          HD21      LEU  73   0.139  -1.918  -8.980
  436   2HD1  LEU  73          HD22      LEU  73  -0.479  -3.169  -7.902
  437   3HD1  LEU  73          HD23      LEU  73   1.253  -2.847  -7.976
  438   1HD2  LEU  73          HD11      LEU  73   0.054  -1.363  -4.774
  439   2HD2  LEU  73          HD12      LEU  73   0.573  -2.893  -5.475
  440   3HD2  LEU  73          HD13      LEU  73  -1.124  -2.427  -5.535
  441    H    THR  74           HN       THR  74  -0.272   0.809  -9.507
  442    HA   THR  74           HA       THR  74   0.148   3.611  -9.724
  443    HB   THR  74           HB       THR  74  -2.543   2.332 -10.076
  444    HG1  THR  74           HG1      THR  74  -1.756   1.799 -12.243
  445   1HG2  THR  74          HG21      THR  74  -2.454   3.891 -12.109
  446   2HG2  THR  74          HG22      THR  74  -1.045   4.615 -11.333
  447   3HG2  THR  74          HG23      THR  74  -2.610   4.635 -10.520
  448    H    ASP  75           HN       ASP  75  -1.534   5.205  -9.065
  449    HA   ASP  75           HA       ASP  75  -1.958   5.090  -6.224
  450   1HB   ASP  75          HB2       ASP  75  -2.839   7.437  -6.610
  451   2HB   ASP  75          HB1       ASP  75  -1.164   7.170  -7.084
  452    H    LYS  76           HN       LYS  76  -3.644   3.784  -8.645
  453    HA   LYS  76           HA       LYS  76  -6.182   3.982  -7.205
  454   1HB   LYS  76          HB2       LYS  76  -5.813   4.420 -10.173
  455   2HB   LYS  76          HB1       LYS  76  -7.374   4.140  -9.412
  456   1HG   LYS  76          HG2       LYS  76  -7.112   6.175  -8.099
  457   2HG   LYS  76          HG1       LYS  76  -5.527   6.448  -8.826
  458   1HD   LYS  76          HD2       LYS  76  -6.580   6.613 -11.036
  459   2HD   LYS  76          HD1       LYS  76  -8.162   6.357 -10.297
  460   1HE   LYS  76          HE2       LYS  76  -7.882   8.402  -8.987
  461   2HE   LYS  76          HE1       LYS  76  -6.295   8.654  -9.712
  462   1HZ   LYS  76          HZ1       LYS  76  -7.360   8.844 -11.877
  463   2HZ   LYS  76          HZ2       LYS  76  -7.975   9.995 -10.801
  464   3HZ   LYS  76          HZ3       LYS  76  -8.882   8.616 -11.172
  465    H    MET  77           HN       MET  77  -4.421   1.948  -6.976
  466    HA   MET  77           HA       MET  77  -5.067  -0.133  -8.887
  467   1HB   MET  77          HB2       MET  77  -3.217  -0.068  -6.518
  468   2HB   MET  77          HB1       MET  77  -3.422  -1.462  -7.573
  469   1HG   MET  77          HG2       MET  77  -2.417   1.254  -8.387
  470   2HG   MET  77          HG1       MET  77  -1.449  -0.199  -8.180
  471   1HE   MET  77          HE1       MET  77  -3.416  -2.418  -9.411
  472   2HE   MET  77          HE2       MET  77  -1.679  -2.364  -9.713
  473   3HE   MET  77          HE3       MET  77  -2.806  -2.489 -11.064
  474    H    LYS  78           HN       LYS  78  -5.999   0.676  -5.569
  475    HA   LYS  78           HA       LYS  78  -6.646  -1.891  -4.718
  476   1HB   LYS  78          HB2       LYS  78  -6.639  -0.050  -3.169
  477   2HB   LYS  78          HB1       LYS  78  -8.028   0.671  -3.976
  478   1HG   LYS  78          HG2       LYS  78  -8.272  -2.093  -2.910
  479   2HG   LYS  78          HG1       LYS  78  -8.280  -0.743  -1.779
  480   1HD   LYS  78          HD2       LYS  78 -10.422  -0.418  -2.223
  481   2HD   LYS  78          HD1       LYS  78 -10.004  -0.032  -3.890
  482   1HE   LYS  78          HE2       LYS  78 -10.088  -2.481  -4.392
  483   2HE   LYS  78          HE1       LYS  78 -10.688  -2.742  -2.758
  484   1HZ   LYS  78          HZ1       LYS  78 -12.631  -1.476  -3.245
  485   2HZ   LYS  78          HZ2       LYS  78 -12.447  -2.616  -4.479
  486   3HZ   LYS  78          HZ3       LYS  78 -12.028  -1.000  -4.750
  487    H    PHE  79           HN       PHE  79  -9.137   0.471  -5.681
  488    HA   PHE  79           HA       PHE  79 -11.049  -1.502  -6.231
  489   1HB   PHE  79          HB2       PHE  79 -11.562   0.893  -5.783
  490   2HB   PHE  79          HB1       PHE  79 -10.930   1.298  -7.369
  491    HD1  PHE  79           HD1      PHE  79 -13.687  -0.250  -5.537
  492    HD2  PHE  79           HD2      PHE  79 -12.155   0.764  -9.374
  493    HE1  PHE  79           HE1      PHE  79 -15.902  -0.659  -6.525
  494    HE2  PHE  79           HE2      PHE  79 -14.367   0.358 -10.371
  495    HZ   PHE  79           HZ       PHE  79 -16.245  -0.355  -8.945
  496    H    GLU  80           HN       GLU  80  -8.279  -0.732  -8.027
  497    HA   GLU  80           HA       GLU  80  -9.520  -1.251 -10.615
  498   1HB   GLU  80          HB2       GLU  80  -7.853   0.524 -10.471
  499   2HB   GLU  80          HB1       GLU  80  -6.654  -0.628  -9.899
  500   1HG   GLU  80          HG2       GLU  80  -6.320  -0.125 -12.242
  501   2HG   GLU  80          HG1       GLU  80  -6.770  -1.815 -12.025
  502    H    GLU  81           HN       GLU  81  -7.416  -2.848  -8.302
  503    HA   GLU  81           HA       GLU  81  -6.941  -5.048 -10.161
  504   1HB   GLU  81          HB2       GLU  81  -5.062  -4.100  -8.765
  505   2HB   GLU  81          HB1       GLU  81  -5.889  -4.723  -7.344
  506   1HG   GLU  81          HG2       GLU  81  -5.703  -6.993  -8.236
  507   2HG   GLU  81          HG1       GLU  81  -4.861  -6.362  -9.650
  508    H    LEU  82           HN       LEU  82  -8.056  -4.468  -6.872
  509    HA   LEU  82           HA       LEU  82  -9.726  -5.360  -5.644
  510   1HB   LEU  82          HB2       LEU  82 -10.453  -6.859  -8.156
  511   2HB   LEU  82          HB1       LEU  82 -11.399  -6.785  -6.699
  512    HG   LEU  82           HG       LEU  82 -12.414  -5.291  -8.210
  513   1HD1  LEU  82          HD11      LEU  82 -10.714  -3.708  -6.290
  514   2HD1  LEU  82          HD12      LEU  82 -12.272  -4.452  -5.935
  515   3HD1  LEU  82          HD13      LEU  82 -12.172  -3.126  -7.094
  516   1HD2  LEU  82          HD21      LEU  82  -9.804  -3.855  -8.572
  517   2HD2  LEU  82          HD22      LEU  82 -11.300  -3.655  -9.486
  518   3HD2  LEU  82          HD23      LEU  82 -10.349  -5.129  -9.660
  519    H    LYS  83           HN       LYS  83  -7.291  -7.148  -7.130
  520    HA   LYS  83           HA       LYS  83  -7.829  -9.525  -5.519
  521   1HB   LYS  83          HB2       LYS  83  -5.542  -9.257  -7.435
  522   2HB   LYS  83          HB1       LYS  83  -6.372 -10.713  -6.920
  523   1HG   LYS  83          HG2       LYS  83  -7.700  -8.619  -8.612
  524   2HG   LYS  83          HG1       LYS  83  -6.750  -9.934  -9.304
  525   1HD   LYS  83          HD2       LYS  83  -8.900 -10.790  -9.363
  526   2HD   LYS  83          HD1       LYS  83  -8.272 -11.457  -7.854
  527   1HE   LYS  83          HE2       LYS  83  -9.320  -9.547  -6.658
  528   2HE   LYS  83          HE1       LYS  83 -10.059  -9.054  -8.178
  529   1HZ   LYS  83          HZ1       LYS  83 -11.588 -10.356  -6.848
  530   2HZ   LYS  83          HZ2       LYS  83 -10.499 -11.648  -6.802
  531   3HZ   LYS  83          HZ3       LYS  83 -11.199 -11.186  -8.271
  532    H    ILE  84           HN       ILE  84  -7.236  -7.408  -4.006
  533    HA   ILE  84           HA       ILE  84  -4.391  -7.596  -3.368
  534    HB   ILE  84           HB       ILE  84  -4.622  -5.535  -2.126
  535   1HG1  ILE  84          HG12      ILE  84  -7.510  -5.517  -3.023
  536   2HG1  ILE  84          HG11      ILE  84  -6.976  -5.873  -1.384
  537   1HG2  ILE  84          HG21      ILE  84  -4.102  -5.397  -4.486
  538   2HG2  ILE  84          HG22      ILE  84  -5.105  -4.029  -4.003
  539   3HG2  ILE  84          HG23      ILE  84  -5.820  -5.379  -4.884
  540   1HD1  ILE  84          HD11      ILE  84  -6.041  -3.625  -1.209
  541   2HD1  ILE  84          HD12      ILE  84  -7.765  -3.590  -1.580
  542   3HD1  ILE  84          HD13      ILE  84  -6.582  -3.276  -2.850
  543    HA   PRO  85           HA       PRO  85  -6.793  -8.469   0.805
  544   1HB   PRO  85          HB2       PRO  85  -8.894 -10.265  -0.216
  545   2HB   PRO  85          HB1       PRO  85  -9.008  -8.973   0.981
  546   1HG   PRO  85          HG2       PRO  85 -10.064  -8.726  -1.474
  547   2HG   PRO  85          HG1       PRO  85  -9.360  -7.347  -0.610
  548   1HD   PRO  85          HD2       PRO  85  -8.201  -8.991  -2.825
  549   2HD   PRO  85          HD1       PRO  85  -8.113  -7.242  -2.546
  550    H    LYS  86           HN       LYS  86  -7.697 -11.022   1.463
  551    HA   LYS  86           HA       LYS  86  -6.893 -13.089   1.912
  552   1HB   LYS  86          HB2       LYS  86  -6.300 -12.945  -1.043
  553   2HB   LYS  86          HB1       LYS  86  -6.123 -14.412  -0.089
  554   1HG   LYS  86          HG2       LYS  86  -8.510 -14.310   0.481
  555   2HG   LYS  86          HG1       LYS  86  -8.672 -12.872  -0.529
  556   1HD   LYS  86          HD2       LYS  86  -8.011 -14.142  -2.489
  557   2HD   LYS  86          HD1       LYS  86  -7.744 -15.576  -1.496
  558   1HE   LYS  86          HE2       LYS  86  -9.885 -15.699  -2.654
  559   2HE   LYS  86          HE1       LYS  86 -10.114 -15.614  -0.908
  560   1HZ   LYS  86          HZ1       LYS  86 -10.600 -13.255  -1.127
  561   2HZ   LYS  86          HZ2       LYS  86 -11.660 -14.174  -2.071
  562   3HZ   LYS  86          HZ3       LYS  86 -10.382 -13.341  -2.802
  563    H    ASP  87           HN       ASP  87  -4.405 -13.194  -0.469
  564    HA   ASP  87           HA       ASP  87  -2.422 -12.745   1.657
  565   1HB   ASP  87          HB2       ASP  87  -2.275 -14.615  -0.710
  566   2HB   ASP  87          HB1       ASP  87  -0.981 -14.355   0.455
  567    H    TYR  88           HN       TYR  88  -3.549 -11.351  -1.178
  568    HA   TYR  88           HA       TYR  88  -1.105 -10.720  -2.457
  569   1HB   TYR  88          HB2       TYR  88  -3.748  -9.264  -2.520
  570   2HB   TYR  88          HB1       TYR  88  -2.403  -8.960  -3.613
  571    HD1  TYR  88           HD1      TYR  88  -5.262 -11.034  -2.907
  572    HD2  TYR  88           HD2      TYR  88  -1.664 -10.800  -5.166
  573    HE1  TYR  88           HE1      TYR  88  -6.093 -12.801  -4.401
  574    HE2  TYR  88           HE2      TYR  88  -2.485 -12.566  -6.667
  575    HH   TYR  88           HH       TYR  88  -4.104 -14.423  -6.614
  576    H    VAL  89           HN       VAL  89   0.352  -9.146  -2.162
  577    HA   VAL  89           HA       VAL  89  -0.182  -7.074  -0.165
  578    HB   VAL  89           HB       VAL  89   0.924  -8.848   1.064
  579   1HG1  VAL  89          HG11      VAL  89   3.079  -8.669  -1.034
  580   2HG1  VAL  89          HG12      VAL  89   1.960 -10.011  -0.792
  581   3HG1  VAL  89          HG13      VAL  89   3.165  -9.633   0.440
  582   1HG2  VAL  89          HG21      VAL  89   2.156  -6.242   0.660
  583   2HG2  VAL  89          HG22      VAL  89   3.304  -7.454   1.221
  584   3HG2  VAL  89          HG23      VAL  89   1.846  -7.129   2.152
  585    H    VAL  90           HN       VAL  90   0.661  -5.135  -0.617
  586    HA   VAL  90           HA       VAL  90   2.246  -4.863  -3.056
  587    HB   VAL  90           HB       VAL  90   1.102  -2.627  -1.369
  588   1HG1  VAL  90          HG11      VAL  90   2.031  -2.721  -4.238
  589   2HG1  VAL  90          HG12      VAL  90   2.890  -1.980  -2.888
  590   3HG1  VAL  90          HG13      VAL  90   1.345  -1.318  -3.416
  591   1HG2  VAL  90          HG21      VAL  90  -0.149  -4.290  -3.514
  592   2HG2  VAL  90          HG22      VAL  90  -0.641  -2.613  -3.274
  593   3HG2  VAL  90          HG23      VAL  90  -0.818  -3.780  -1.965
  594    H    GLN  91           HN       GLN  91   4.379  -4.874  -2.857
  595    HA   GLN  91           HA       GLN  91   5.567  -4.381  -0.286
  596   1HB   GLN  91          HB2       GLN  91   6.372  -6.222  -1.709
  597   2HB   GLN  91          HB1       GLN  91   6.879  -5.052  -2.921
  598   1HG   GLN  91          HG2       GLN  91   7.922  -4.659  -0.196
  599   2HG   GLN  91          HG1       GLN  91   8.519  -6.068  -1.073
  600   1HE2  GLN  91          HE21      GLN  91  10.590  -5.239  -1.235
  601   2HE2  GLN  91          HE22      GLN  91  10.986  -3.925  -2.284
  602    H    VAL  92           HN       VAL  92   6.353  -2.530   0.397
  603    HA   VAL  92           HA       VAL  92   6.797  -0.405  -1.578
  604    HB   VAL  92           HB       VAL  92   6.433   1.195   0.159
  605   1HG1  VAL  92          HG11      VAL  92   4.310  -0.812   0.802
  606   2HG1  VAL  92          HG12      VAL  92   4.453  -0.181  -0.842
  607   3HG1  VAL  92          HG13      VAL  92   4.167   0.922   0.504
  608   1HG2  VAL  92          HG21      VAL  92   6.315  -1.119   2.060
  609   2HG2  VAL  92          HG22      VAL  92   6.005   0.566   2.475
  610   3HG2  VAL  92          HG23      VAL  92   7.612   0.067   1.954
  611    H    ILE  93           HN       ILE  93   8.615   1.130  -1.027
  612    HA   ILE  93           HA       ILE  93  10.732  -0.130   0.533
  613    HB   ILE  93           HB       ILE  93  12.416   0.235  -1.197
  614   1HG1  ILE  93          HG12      ILE  93  10.085   0.827  -3.033
  615   2HG1  ILE  93          HG11      ILE  93  11.215   2.033  -2.424
  616   1HG2  ILE  93          HG21      ILE  93  10.113  -1.496  -2.084
  617   2HG2  ILE  93          HG22      ILE  93  11.392  -1.956  -0.960
  618   3HG2  ILE  93          HG23      ILE  93  11.778  -1.629  -2.650
  619   1HD1  ILE  93          HD11      ILE  93  13.045   0.702  -3.506
  620   2HD1  ILE  93          HD12      ILE  93  11.911   1.484  -4.609
  621   3HD1  ILE  93          HD13      ILE  93  11.781  -0.246  -4.291
  622    H    VAL  94           HN       VAL  94  11.739   1.219   1.768
  623    HA   VAL  94           HA       VAL  94  11.831   4.079   1.089
  624    HB   VAL  94           HB       VAL  94  10.238   4.073   2.831
  625   1HG1  VAL  94          HG11      VAL  94  10.505   2.779   4.914
  626   2HG1  VAL  94          HG12      VAL  94  11.982   2.067   4.264
  627   3HG1  VAL  94          HG13      VAL  94  10.432   1.744   3.487
  628   1HG2  VAL  94          HG21      VAL  94  12.834   4.410   4.325
  629   2HG2  VAL  94          HG22      VAL  94  11.287   5.192   4.653
  630   3HG2  VAL  94          HG23      VAL  94  12.192   5.604   3.197
  631    H    SER  95           HN       SER  95  13.918   4.168   0.423
  632    HA   SER  95           HA       SER  95  15.985   3.174   2.263
  633   1HB   SER  95          HB2       SER  95  16.187   3.878  -0.676
  634   2HB   SER  95          HB1       SER  95  17.517   3.293   0.324
  635    HG   SER  95           HG       SER  95  15.109   1.844   0.018
  636    H    GLN  96           HN       GLN  96  14.629   5.549   2.869
  637    HA   GLN  96           HA       GLN  96  16.681   7.597   2.340
  638   1HB   GLN  96          HB2       GLN  96  13.752   7.955   2.988
  639   2HB   GLN  96          HB1       GLN  96  14.907   9.266   2.788
  640   1HG   GLN  96          HG2       GLN  96  14.079   7.288   0.676
  641   2HG   GLN  96          HG1       GLN  96  13.565   8.970   0.792
  642   1HE2  GLN  96          HE21      GLN  96  15.022  10.608   0.292
  643   2HE2  GLN  96          HE22      GLN  96  16.475  10.305  -0.592
  644    HA   PRO  97           HA       PRO  97  17.221   6.445   6.794
  645   1HB   PRO  97          HB2       PRO  97  19.714   7.954   6.174
  646   2HB   PRO  97          HB1       PRO  97  19.506   6.432   7.048
  647   1HG   PRO  97          HG2       PRO  97  20.448   6.455   4.555
  648   2HG   PRO  97          HG1       PRO  97  19.338   5.184   5.102
  649   1HD   PRO  97          HD2       PRO  97  18.804   7.551   3.365
  650   2HD   PRO  97          HD1       PRO  97  18.120   5.915   3.287
  651    H    VAL  98           HN       VAL  98  17.461   9.457   5.031
  652    HA   VAL  98           HA       VAL  98  17.389  11.055   7.454
  653    HB   VAL  98           HB       VAL  98  18.744  11.818   5.545
  654   1HG1  VAL  98          HG11      VAL  98  17.710  12.652   3.523
  655   2HG1  VAL  98          HG12      VAL  98  16.112  12.223   4.130
  656   3HG1  VAL  98          HG13      VAL  98  17.282  10.957   3.756
  657   1HG2  VAL  98          HG21      VAL  98  16.425  13.629   6.212
  658   2HG2  VAL  98          HG22      VAL  98  17.964  14.144   5.523
  659   3HG2  VAL  98          HG23      VAL  98  17.912  13.452   7.144
  660    H    GLN  99           HN       GLN  99  15.197   9.859   5.032
  661    HA   GLN  99           HA       GLN  99  13.063  11.631   5.971
  662   1HB   GLN  99          HB2       GLN  99  12.977   9.585   3.749
  663   2HB   GLN  99          HB1       GLN  99  11.768  10.813   4.091
  664   1HG   GLN  99          HG2       GLN  99  14.600  11.377   3.246
  665   2HG   GLN  99          HG1       GLN  99  13.208  11.357   2.168
  666   1HE2  GLN  99          HE21      GLN  99  13.473  13.504   1.594
  667   2HE2  GLN  99          HE22      GLN  99  13.111  14.804   2.672
  668    H    ASN 100           HN       ASN 100  14.031   9.705   7.801
  669    HA   ASN 100           HA       ASN 100  13.278   8.160   9.290
  670   1HB   ASN 100          HB2       ASN 100  10.718   9.158   8.091
  671   2HB   ASN 100          HB1       ASN 100  10.683   7.799   9.207
  672   1HD2  ASN 100          HD21      ASN 100  12.977  10.444   9.429
  673   2HD2  ASN 100          HD22      ASN 100  12.344  11.114  10.887
  Start of MODEL   14
    1    H    GLY  21           H        GLY  21 -17.832  -1.234   7.689
    2   1HA   GLY  21          HA1       GLY  21 -16.110  -2.579   8.702
    3   2HA   GLY  21          HA2       GLY  21 -17.073  -3.516   7.570
    4    H    TYR  22           HN       TYR  22 -15.469  -5.035   7.190
    5    HA   TYR  22           HA       TYR  22 -12.942  -4.086   6.057
    6   1HB   TYR  22          HB2       TYR  22 -13.796  -6.873   6.872
    7   2HB   TYR  22          HB1       TYR  22 -12.193  -6.422   6.303
    8    HD1  TYR  22           HD1      TYR  22 -14.402  -6.605   9.137
    9    HD2  TYR  22           HD2      TYR  22 -10.812  -4.836   7.694
   10    HE1  TYR  22           HE1      TYR  22 -13.737  -6.085  11.447
   11    HE2  TYR  22           HE2      TYR  22 -10.135  -4.313  10.000
   12    HH   TYR  22           HH       TYR  22 -11.192  -3.975  12.196
   13    H    GLU  23           HN       GLU  23 -13.583  -3.447   4.002
   14    HA   GLU  23           HA       GLU  23 -14.912  -5.397   2.289
   15   1HB   GLU  23          HB2       GLU  23 -14.120  -2.523   1.793
   16   2HB   GLU  23          HB1       GLU  23 -14.964  -3.541   0.634
   17   1HG   GLU  23          HG2       GLU  23 -16.842  -3.751   2.169
   18   2HG   GLU  23          HG1       GLU  23 -15.994  -2.755   3.352
   19    H    CYS  24           HN       CYS  24 -12.260  -3.131   1.558
   20    HA   CYS  24           HA       CYS  24 -10.871  -5.361   0.227
   21   1HB   CYS  24          HB2       CYS  24 -10.534  -2.422  -0.382
   22   2HB   CYS  24          HB1       CYS  24  -9.953  -3.788  -1.329
   23    HG   CYS  24           HG       CYS  24 -12.596  -2.140  -1.882
   24    H    GLN  25           HN       GLN  25  -9.407  -6.097   1.662
   25    HA   GLN  25           HA       GLN  25  -7.737  -4.148   3.088
   26   1HB   GLN  25          HB2       GLN  25  -8.422  -7.021   3.725
   27   2HB   GLN  25          HB1       GLN  25  -7.160  -6.126   4.556
   28   1HG   GLN  25          HG2       GLN  25  -9.241  -6.181   5.825
   29   2HG   GLN  25          HG1       GLN  25  -8.771  -4.540   5.390
   30   1HE2  GLN  25          HE21      GLN  25 -10.049  -3.360   4.035
   31   2HE2  GLN  25          HE22      GLN  25 -11.617  -3.871   3.523
   32    H    LEU  26           HN       LEU  26  -6.032  -3.772   1.822
   33    HA   LEU  26           HA       LEU  26  -4.772  -5.979   0.378
   34   1HB   LEU  26          HB2       LEU  26  -5.293  -3.670  -0.627
   35   2HB   LEU  26          HB1       LEU  26  -3.909  -3.105   0.287
   36    HG   LEU  26           HG       LEU  26  -3.737  -5.365  -1.696
   37   1HD1  LEU  26          HD11      LEU  26  -4.476  -3.429  -2.914
   38   2HD1  LEU  26          HD12      LEU  26  -2.764  -3.697  -3.240
   39   3HD1  LEU  26          HD13      LEU  26  -3.261  -2.423  -2.128
   40   1HD2  LEU  26          HD21      LEU  26  -1.306  -4.212  -1.584
   41   2HD2  LEU  26          HD22      LEU  26  -1.799  -5.570  -0.576
   42   3HD2  LEU  26          HD23      LEU  26  -1.866  -3.928   0.063
   43    H    ARG  27           HN       ARG  27  -2.758  -6.760   0.762
   44    HA   ARG  27           HA       ARG  27  -1.614  -6.108   3.350
   45   1HB   ARG  27          HB2       ARG  27  -2.002  -8.466   2.553
   46   2HB   ARG  27          HB1       ARG  27  -0.712  -8.211   1.391
   47   1HG   ARG  27          HG2       ARG  27   0.288  -9.336   3.181
   48   2HG   ARG  27          HG1       ARG  27   0.765  -7.649   3.381
   49   1HD   ARG  27          HD2       ARG  27  -0.824  -7.314   5.109
   50   2HD   ARG  27          HD1       ARG  27  -1.609  -8.856   4.776
   51    HE   ARG  27           HE       ARG  27   1.086  -9.292   5.468
   52   1HH1  ARG  27          HH11      ARG  27  -1.953  -8.339   6.893
   53   2HH1  ARG  27          HH12      ARG  27  -1.551  -8.945   8.464
   54   1HH2  ARG  27          HH21      ARG  27   1.617 -10.092   7.533
   55   2HH2  ARG  27          HH22      ARG  27   0.477  -9.941   8.828
   56    H    LEU  28           HN       LEU  28   0.357  -5.163   3.688
   57    HA   LEU  28           HA       LEU  28   1.794  -4.225   1.284
   58   1HB   LEU  28          HB2       LEU  28   1.151  -2.963   3.884
   59   2HB   LEU  28          HB1       LEU  28   2.744  -2.631   3.241
   60    HG   LEU  28           HG       LEU  28   1.003  -0.936   2.654
   61   1HD1  LEU  28          HD11      LEU  28   2.345  -2.420   0.403
   62   2HD1  LEU  28          HD12      LEU  28   3.052  -1.139   1.388
   63   3HD1  LEU  28          HD13      LEU  28   1.705  -0.779   0.305
   64   1HD2  LEU  28          HD21      LEU  28  -0.769  -1.405   1.258
   65   2HD2  LEU  28          HD22      LEU  28  -0.717  -2.853   2.260
   66   3HD2  LEU  28          HD23      LEU  28  -0.030  -2.879   0.636
   67    H    ARG  29           HN       ARG  29   4.075  -4.194   1.324
   68    HA   ARG  29           HA       ARG  29   5.394  -5.658   3.497
   69   1HB   ARG  29          HB2       ARG  29   4.916  -7.333   1.773
   70   2HB   ARG  29          HB1       ARG  29   5.701  -6.330   0.564
   71   1HG   ARG  29          HG2       ARG  29   7.831  -6.580   1.717
   72   2HG   ARG  29          HG1       ARG  29   7.048  -7.564   2.955
   73   1HD   ARG  29          HD2       ARG  29   6.438  -9.214   1.247
   74   2HD   ARG  29          HD1       ARG  29   7.235  -8.231   0.019
   75    HE   ARG  29           HE       ARG  29   9.111  -8.743   2.001
   76   1HH1  ARG  29          HH11      ARG  29   7.234 -10.556  -0.317
   77   2HH1  ARG  29          HH12      ARG  29   8.414 -11.814  -0.475
   78   1HH2  ARG  29          HH21      ARG  29  10.662 -10.396   1.795
   79   2HH2  ARG  29          HH22      ARG  29  10.359 -11.724   0.724
   80    H    LEU  30           HN       LEU  30   6.473  -3.881   4.217
   81    HA   LEU  30           HA       LEU  30   7.822  -2.097   2.398
   82   1HB   LEU  30          HB2       LEU  30   7.014  -2.178   5.120
   83   2HB   LEU  30          HB1       LEU  30   8.599  -1.488   4.978
   84    HG   LEU  30           HG       LEU  30   7.265   0.360   4.971
   85   1HD1  LEU  30          HD11      LEU  30   8.407   0.884   3.090
   86   2HD1  LEU  30          HD12      LEU  30   6.758   0.960   2.480
   87   3HD1  LEU  30          HD13      LEU  30   7.749  -0.460   2.167
   88   1HD2  LEU  30          HD21      LEU  30   5.152  -0.561   5.201
   89   2HD2  LEU  30          HD22      LEU  30   5.223  -1.357   3.633
   90   3HD2  LEU  30          HD23      LEU  30   5.043   0.396   3.723
   91    H    SER  31           HN       SER  31   9.990  -1.629   2.380
   92    HA   SER  31           HA       SER  31  11.715  -3.829   2.249
   93   1HB   SER  31          HB2       SER  31  12.076  -1.786   0.944
   94   2HB   SER  31          HB1       SER  31  12.419  -0.891   2.423
   95    HG   SER  31           HG       SER  31  14.386  -1.465   1.748
   96    H    THR  32           HN       THR  32  10.805  -1.863   4.923
   97    HA   THR  32           HA       THR  32  13.161  -2.668   6.464
   98    HB   THR  32           HB       THR  32  12.164  -1.281   8.282
   99    HG1  THR  32           HG1      THR  32  10.211  -0.468   8.057
  100   1HG2  THR  32          HG21      THR  32  12.503   0.908   7.145
  101   2HG2  THR  32          HG22      THR  32  12.552   0.053   5.602
  102   3HG2  THR  32          HG23      THR  32  13.786  -0.259   6.822
  103    H    GLY  33           HN       GLY  33  10.893  -4.439   5.488
  104   1HA   GLY  33          HA2       GLY  33   9.939  -6.371   6.288
  105   2HA   GLY  33          HA1       GLY  33  10.703  -6.041   7.848
  106    H    LYS  34           HN       LYS  34   8.590  -3.878   6.032
  107    HA   LYS  34           HA       LYS  34   6.789  -3.934   8.344
  108   1HB   LYS  34          HB2       LYS  34   7.992  -1.799   7.019
  109   2HB   LYS  34          HB1       LYS  34   6.310  -1.742   6.530
  110   1HG   LYS  34          HG2       LYS  34   6.924  -2.093   9.407
  111   2HG   LYS  34          HG1       LYS  34   7.171  -0.504   8.682
  112   1HD   LYS  34          HD2       LYS  34   4.955  -0.577   9.599
  113   2HD   LYS  34          HD1       LYS  34   4.828  -0.591   7.840
  114   1HE   LYS  34          HE2       LYS  34   3.595  -2.433   7.980
  115   2HE   LYS  34          HE1       LYS  34   4.984  -3.277   8.656
  116   1HZ   LYS  34          HZ1       LYS  34   4.292  -2.519  10.866
  117   2HZ   LYS  34          HZ2       LYS  34   3.111  -3.478  10.126
  118   3HZ   LYS  34          HZ3       LYS  34   2.919  -1.799  10.189
  119    H    ASP  35           HN       ASP  35   5.686  -5.753   7.714
  120    HA   ASP  35           HA       ASP  35   4.062  -5.543   5.301
  121   1HB   ASP  35          HB2       ASP  35   5.368  -7.580   5.413
  122   2HB   ASP  35          HB1       ASP  35   4.771  -7.920   7.038
  123    H    LEU  36           HN       LEU  36   2.180  -4.673   5.646
  124    HA   LEU  36           HA       LEU  36   0.501  -5.625   7.821
  125   1HB   LEU  36          HB2       LEU  36   1.783  -3.642   8.677
  126   2HB   LEU  36          HB1       LEU  36   1.001  -2.673   7.445
  127    HG   LEU  36           HG       LEU  36  -0.551  -4.183   9.541
  128   1HD1  LEU  36          HD11      LEU  36   0.952  -2.631  10.666
  129   2HD1  LEU  36          HD12      LEU  36  -0.718  -2.072  10.761
  130   3HD1  LEU  36          HD13      LEU  36   0.399  -1.323   9.620
  131   1HD2  LEU  36          HD21      LEU  36  -1.990  -3.610   7.795
  132   2HD2  LEU  36          HD22      LEU  36  -1.192  -2.063   7.520
  133   3HD2  LEU  36          HD23      LEU  36  -2.190  -2.297   8.954
  134    H    LYS  37           HN       LYS  37  -1.482  -5.955   7.101
  135    HA   LYS  37           HA       LYS  37  -2.216  -5.003   4.477
  136   1HB   LYS  37          HB2       LYS  37  -2.777  -7.241   4.792
  137   2HB   LYS  37          HB1       LYS  37  -3.355  -6.967   6.422
  138   1HG   LYS  37          HG2       LYS  37  -5.329  -5.830   5.516
  139   2HG   LYS  37          HG1       LYS  37  -4.735  -6.129   3.880
  140   1HD   LYS  37          HD2       LYS  37  -6.383  -7.806   4.460
  141   2HD   LYS  37          HD1       LYS  37  -4.792  -8.557   4.339
  142   1HE   LYS  37          HE2       LYS  37  -4.565  -8.481   6.770
  143   2HE   LYS  37          HE1       LYS  37  -6.146  -7.712   6.898
  144   1HZ   LYS  37          HZ1       LYS  37  -5.645 -10.421   5.790
  145   2HZ   LYS  37          HZ2       LYS  37  -7.158  -9.686   5.968
  146   3HZ   LYS  37          HZ3       LYS  37  -6.251 -10.093   7.335
  147    H    LEU  38           HN       LEU  38  -2.837  -2.959   4.388
  148    HA   LEU  38           HA       LEU  38  -4.416  -1.772   6.512
  149   1HB   LEU  38          HB2       LEU  38  -2.805  -0.276   5.757
  150   2HB   LEU  38          HB1       LEU  38  -3.002  -0.760   4.080
  151    HG   LEU  38           HG       LEU  38  -5.277   0.396   4.164
  152   1HD1  LEU  38          HD11      LEU  38  -5.491   0.522   6.589
  153   2HD1  LEU  38          HD12      LEU  38  -5.524   2.131   5.872
  154   3HD1  LEU  38          HD13      LEU  38  -4.064   1.551   6.673
  155   1HD2  LEU  38          HD21      LEU  38  -2.873   2.159   4.586
  156   2HD2  LEU  38          HD22      LEU  38  -4.324   2.514   3.648
  157   3HD2  LEU  38          HD23      LEU  38  -3.199   1.276   3.094
  158    H    VAL  39           HN       VAL  39  -6.488  -1.027   6.335
  159    HA   VAL  39           HA       VAL  39  -8.219  -2.401   4.528
  160    HB   VAL  39           HB       VAL  39  -8.894  -1.895   6.839
  161   1HG1  VAL  39          HG11      VAL  39  -7.835   0.247   7.149
  162   2HG1  VAL  39          HG12      VAL  39  -9.568   0.412   7.428
  163   3HG1  VAL  39          HG13      VAL  39  -8.861   0.974   5.913
  164   1HG2  VAL  39          HG21      VAL  39 -10.740  -2.321   5.500
  165   2HG2  VAL  39          HG22      VAL  39 -10.535  -0.837   4.569
  166   3HG2  VAL  39          HG23      VAL  39 -11.138  -0.764   6.224
  167    H    VAL  40           HN       VAL  40  -9.388  -1.615   2.819
  168    HA   VAL  40           HA       VAL  40  -9.309   1.182   2.105
  169    HB   VAL  40           HB       VAL  40  -8.397   0.721  -0.189
  170   1HG1  VAL  40          HG11      VAL  40  -7.055   1.778   1.571
  171   2HG1  VAL  40          HG12      VAL  40  -6.071   0.793   0.490
  172   3HG1  VAL  40          HG13      VAL  40  -6.500   0.186   2.089
  173   1HG2  VAL  40          HG21      VAL  40  -7.482  -1.865   1.060
  174   2HG2  VAL  40          HG22      VAL  40  -7.052  -1.269  -0.544
  175   3HG2  VAL  40          HG23      VAL  40  -8.722  -1.711  -0.188
  176    H    ARG  41           HN       ARG  41 -10.554   1.569   0.046
  177    HA   ARG  41           HA       ARG  41 -12.335  -0.523  -0.795
  178   1HB   ARG  41          HB2       ARG  41 -13.449   0.259   1.236
  179   2HB   ARG  41          HB1       ARG  41 -13.403   1.912   0.641
  180   1HG   ARG  41          HG2       ARG  41 -14.738  -0.126  -1.050
  181   2HG   ARG  41          HG1       ARG  41 -15.555   0.391   0.426
  182   1HD   ARG  41          HD2       ARG  41 -14.579   2.206  -1.778
  183   2HD   ARG  41          HD1       ARG  41 -16.245   1.720  -1.512
  184    HE   ARG  41           HE       ARG  41 -15.084   2.958   0.787
  185   1HH1  ARG  41          HH11      ARG  41 -16.619   3.580  -2.284
  186   2HH1  ARG  41          HH12      ARG  41 -17.200   5.144  -1.819
  187   1HH2  ARG  41          HH21      ARG  41 -15.848   5.014   1.402
  188   2HH2  ARG  41          HH22      ARG  41 -16.762   5.959   0.274
  189    H    SER  42           HN       SER  42 -11.892  -0.292  -2.873
  190    HA   SER  42           HA       SER  42 -11.518   0.592  -4.922
  191   1HB   SER  42          HB2       SER  42 -13.528   1.712  -5.828
  192   2HB   SER  42          HB1       SER  42 -13.910   0.269  -4.891
  193    HG   SER  42           HG       SER  42 -14.817   2.718  -4.526
  194    H    THR  43           HN       THR  43 -12.554   3.327  -2.850
  195    HA   THR  43           HA       THR  43 -11.089   5.156  -4.551
  196    HB   THR  43           HB       THR  43 -11.931   6.917  -3.052
  197    HG1  THR  43           HG1      THR  43 -13.227   4.788  -1.665
  198   1HG2  THR  43          HG21      THR  43 -13.324   6.201  -4.926
  199   2HG2  THR  43          HG22      THR  43 -14.322   6.654  -3.544
  200   3HG2  THR  43          HG23      THR  43 -14.055   4.952  -3.919
  201    H    ASP  44           HN       ASP  44 -10.389   3.190  -1.903
  202    HA   ASP  44           HA       ASP  44  -8.344   5.015  -0.878
  203   1HB   ASP  44          HB2       ASP  44  -9.211   2.325   0.186
  204   2HB   ASP  44          HB1       ASP  44  -8.078   3.423   0.961
  205    H    THR  45           HN       THR  45  -7.852   4.078  -3.452
  206    HA   THR  45           HA       THR  45  -6.281   1.771  -3.662
  207    HB   THR  45           HB       THR  45  -5.273   2.835  -5.661
  208    HG1  THR  45           HG1      THR  45  -6.670   5.090  -4.648
  209   1HG2  THR  45          HG21      THR  45  -8.129   2.486  -5.149
  210   2HG2  THR  45          HG22      THR  45  -7.134   1.877  -6.471
  211   3HG2  THR  45          HG23      THR  45  -7.778   3.518  -6.535
  212    H    VAL  46           HN       VAL  46  -3.887   1.893  -4.271
  213    HA   VAL  46           HA       VAL  46  -2.218   2.086  -2.276
  214    HB   VAL  46           HB       VAL  46  -1.801   2.556  -5.160
  215   1HG1  VAL  46          HG11      VAL  46   0.328   3.254  -3.134
  216   2HG1  VAL  46          HG12      VAL  46  -0.401   4.341  -4.317
  217   3HG1  VAL  46          HG13      VAL  46   0.612   3.002  -4.858
  218   1HG2  VAL  46          HG21      VAL  46  -0.083   0.761  -4.713
  219   2HG2  VAL  46          HG22      VAL  46  -1.748   0.321  -4.350
  220   3HG2  VAL  46          HG23      VAL  46  -0.641   0.737  -3.044
  221    H    PHE  47           HN       PHE  47  -3.480   4.973  -3.830
  222    HA   PHE  47           HA       PHE  47  -1.683   6.831  -2.643
  223   1HB   PHE  47          HB2       PHE  47  -3.031   7.461  -4.552
  224   2HB   PHE  47          HB1       PHE  47  -4.515   7.176  -3.658
  225    HD1  PHE  47           HD1      PHE  47  -1.983   9.554  -4.510
  226    HD2  PHE  47           HD2      PHE  47  -4.998   8.640  -1.649
  227    HE1  PHE  47           HE1      PHE  47  -1.983  11.900  -3.766
  228    HE2  PHE  47           HE2      PHE  47  -5.005  10.983  -0.902
  229    HZ   PHE  47           HZ       PHE  47  -3.496  12.617  -1.961
  230    H    HIS  48           HN       HIS  48  -5.119   6.208  -1.811
  231    HA   HIS  48           HA       HIS  48  -4.870   7.394   0.742
  232   1HB   HIS  48          HB2       HIS  48  -6.796   5.260  -0.178
  233   2HB   HIS  48          HB1       HIS  48  -6.940   6.201   1.304
  234    HD1  HIS  48           HD1      HIS  48  -6.898   6.764  -2.453
  235    HD2  HIS  48           HD2      HIS  48  -8.344   8.514   1.028
  236    HE1  HIS  48           HE1      HIS  48  -8.305   8.706  -3.210
  237    HE2  HIS  48           HE2      HIS  48  -9.231   9.703  -1.090
  238    H    MET  49           HN       MET  49  -4.589   4.115  -0.494
  239    HA   MET  49           HA       MET  49  -4.065   2.678   1.762
  240   1HB   MET  49          HB2       MET  49  -3.958   2.055  -0.823
  241   2HB   MET  49          HB1       MET  49  -2.237   2.293  -0.553
  242   1HG   MET  49          HG2       MET  49  -2.484   0.672   1.392
  243   2HG   MET  49          HG1       MET  49  -4.053   0.268   0.696
  244   1HE   MET  49          HE1       MET  49  -0.215   0.212   0.332
  245   2HE   MET  49          HE2       MET  49  -0.605   1.160  -1.103
  246   3HE   MET  49          HE3       MET  49   0.044  -0.471  -1.274
  247    H    LYS  50           HN       LYS  50  -2.055   4.822  -0.085
  248    HA   LYS  50           HA       LYS  50   0.345   4.584   1.415
  249   1HB   LYS  50          HB2       LYS  50   0.466   5.394  -0.851
  250   2HB   LYS  50          HB1       LYS  50  -0.697   6.659  -0.525
  251   1HG   LYS  50          HG2       LYS  50   1.008   7.615   1.092
  252   2HG   LYS  50          HG1       LYS  50   2.155   6.496   0.358
  253   1HD   LYS  50          HD2       LYS  50   1.713   7.480  -1.837
  254   2HD   LYS  50          HD1       LYS  50   0.573   8.607  -1.099
  255   1HE   LYS  50          HE2       LYS  50   2.376   9.554   0.248
  256   2HE   LYS  50          HE1       LYS  50   3.517   8.414  -0.466
  257   1HZ   LYS  50          HZ1       LYS  50   3.093   9.415  -2.630
  258   2HZ   LYS  50          HZ2       LYS  50   3.660  10.569  -1.531
  259   3HZ   LYS  50          HZ3       LYS  50   2.016  10.518  -1.931
  260    H    ARG  51           HN       ARG  51  -2.462   6.694   1.443
  261    HA   ARG  51           HA       ARG  51  -1.616   8.623   3.210
  262   1HB   ARG  51          HB2       ARG  51  -4.348   7.485   2.707
  263   2HB   ARG  51          HB1       ARG  51  -4.083   8.805   3.834
  264   1HG   ARG  51          HG2       ARG  51  -3.261   8.891   0.943
  265   2HG   ARG  51          HG1       ARG  51  -4.805   9.494   1.548
  266   1HD   ARG  51          HD2       ARG  51  -2.085  10.439   2.447
  267   2HD   ARG  51          HD1       ARG  51  -3.127  11.279   1.300
  268    HE   ARG  51           HE       ARG  51  -4.404  10.757   3.815
  269   1HH1  ARG  51          HH11      ARG  51  -2.309  12.952   2.092
  270   2HH1  ARG  51          HH12      ARG  51  -2.690  14.306   3.102
  271   1HH2  ARG  51          HH21      ARG  51  -4.906  12.537   5.143
  272   2HH2  ARG  51          HH22      ARG  51  -4.164  14.070   4.834
  273    H    ARG  52           HN       ARG  52  -3.376   5.636   3.902
  274    HA   ARG  52           HA       ARG  52  -3.077   5.936   6.741
  275   1HB   ARG  52          HB2       ARG  52  -4.270   3.840   4.966
  276   2HB   ARG  52          HB1       ARG  52  -4.017   3.517   6.673
  277   1HG   ARG  52          HG2       ARG  52  -6.280   4.255   6.284
  278   2HG   ARG  52          HG1       ARG  52  -5.406   5.461   7.231
  279   1HD   ARG  52          HD2       ARG  52  -5.046   6.791   5.219
  280   2HD   ARG  52          HD1       ARG  52  -5.884   5.576   4.255
  281    HE   ARG  52           HE       ARG  52  -7.529   6.508   6.370
  282   1HH1  ARG  52          HH11      ARG  52  -6.291   7.410   3.235
  283   2HH1  ARG  52          HH12      ARG  52  -7.623   8.453   2.870
  284   1HH2  ARG  52          HH21      ARG  52  -9.283   7.881   5.892
  285   2HH2  ARG  52          HH22      ARG  52  -9.322   8.720   4.378
  286    H    LEU  53           HN       LEU  53  -1.267   4.432   4.180
  287    HA   LEU  53           HA       LEU  53   0.106   2.500   5.710
  288   1HB   LEU  53          HB2       LEU  53   0.330   3.630   3.075
  289   2HB   LEU  53          HB1       LEU  53   1.917   3.488   3.800
  290    HG   LEU  53           HG       LEU  53   1.228   1.517   2.426
  291   1HD1  LEU  53          HD11      LEU  53   2.201  -0.066   3.861
  292   2HD1  LEU  53          HD12      LEU  53   1.601   0.753   5.304
  293   3HD1  LEU  53          HD13      LEU  53   2.888   1.484   4.344
  294   1HD2  LEU  53          HD21      LEU  53  -1.032   1.186   2.766
  295   2HD2  LEU  53          HD22      LEU  53  -0.911   1.403   4.510
  296   3HD2  LEU  53          HD23      LEU  53  -0.320  -0.080   3.764
  297    H    HIS  54           HN       HIS  54   0.949   5.862   4.910
  298    HA   HIS  54           HA       HIS  54   3.266   5.945   6.502
  299   1HB   HIS  54          HB2       HIS  54   3.387   8.167   5.920
  300   2HB   HIS  54          HB1       HIS  54   2.297   7.594   4.663
  301    HD1  HIS  54           HD1      HIS  54   1.926   9.084   8.158
  302    HD2  HIS  54           HD2      HIS  54   0.150   9.195   4.403
  303    HE1  HIS  54           HE1      HIS  54   0.066  10.766   8.343
  304    HE2  HIS  54           HE2      HIS  54  -1.049  10.752   6.084
  305    H    ALA  55           HN       ALA  55  -0.116   6.811   7.103
  306    HA   ALA  55           HA       ALA  55   0.206   7.788   9.713
  307   1HB   ALA  55          HB1       ALA  55  -2.194   6.398   8.528
  308   2HB   ALA  55          HB2       ALA  55  -1.827   8.117   8.390
  309   3HB   ALA  55          HB3       ALA  55  -2.188   7.416   9.967
  310    H    ALA  56           HN       ALA  56  -0.146   4.495   8.489
  311    HA   ALA  56           HA       ALA  56  -0.569   3.296  11.034
  312   1HB   ALA  56          HB1       ALA  56  -0.206   1.185   9.885
  313   2HB   ALA  56          HB2       ALA  56   0.423   2.042   8.478
  314   3HB   ALA  56          HB3       ALA  56  -1.267   2.233   8.943
  315    H    GLU  57           HN       GLU  57   2.275   3.042   8.871
  316    HA   GLU  57           HA       GLU  57   3.896   2.285  11.163
  317   1HB   GLU  57          HB2       GLU  57   5.564   1.611   9.603
  318   2HB   GLU  57          HB1       GLU  57   4.015   1.057   8.983
  319   1HG   GLU  57          HG2       GLU  57   3.997   3.134   7.546
  320   2HG   GLU  57          HG1       GLU  57   5.680   3.357   8.024
  321    H    GLY  58           HN       GLY  58   4.009   4.792   8.603
  322   1HA   GLY  58          HA2       GLY  58   4.508   7.046   9.762
  323   2HA   GLY  58          HA1       GLY  58   5.988   6.225  10.251
  324    H    VAL  59           HN       VAL  59   5.304   5.025   7.264
  325    HA   VAL  59           HA       VAL  59   7.244   6.766   5.999
  326    HB   VAL  59           HB       VAL  59   5.856   4.278   4.973
  327   1HG1  VAL  59          HG11      VAL  59   8.437   5.015   3.836
  328   2HG1  VAL  59          HG12      VAL  59   7.148   6.164   3.480
  329   3HG1  VAL  59          HG13      VAL  59   6.965   4.465   3.041
  330   1HG2  VAL  59          HG21      VAL  59   7.900   3.105   5.512
  331   2HG2  VAL  59          HG22      VAL  59   7.262   3.887   6.959
  332   3HG2  VAL  59          HG23      VAL  59   8.631   4.597   6.102
  333    H    GLU  60           HN       GLU  60   6.323   8.652   5.365
  334    HA   GLU  60           HA       GLU  60   3.803   8.548   3.886
  335   1HB   GLU  60          HB2       GLU  60   3.987  10.011   5.930
  336   2HB   GLU  60          HB1       GLU  60   5.107  11.013   5.024
  337   1HG   GLU  60          HG2       GLU  60   2.298  10.423   4.135
  338   2HG   GLU  60          HG1       GLU  60   2.758  11.838   5.080
  339    HA   PRO  61           HA       PRO  61   6.552  11.535   1.124
  340   1HB   PRO  61          HB2       PRO  61   9.261  10.932   1.435
  341   2HB   PRO  61          HB1       PRO  61   8.446  12.375   2.043
  342   1HG   PRO  61          HG2       PRO  61   9.140   9.846   3.462
  343   2HG   PRO  61          HG1       PRO  61   9.173  11.516   4.058
  344   1HD   PRO  61          HD2       PRO  61   7.211   9.849   4.746
  345   2HD   PRO  61          HD1       PRO  61   6.879  11.561   4.424
  346    H    GLY  62           HN       GLY  62   8.685  10.747  -0.418
  347   1HA   GLY  62          HA2       GLY  62   7.621   8.725  -2.008
  348   2HA   GLY  62          HA1       GLY  62   9.285   9.278  -2.076
  349    H    SER  63           HN       SER  63   9.090   8.328   0.992
  350    HA   SER  63           HA       SER  63  10.630   6.046   0.730
  351   1HB   SER  63          HB2       SER  63   8.856   6.932   3.008
  352   2HB   SER  63          HB1       SER  63  10.038   5.633   3.116
  353    HG   SER  63           HG       SER  63  10.789   7.738   3.823
  354    H    GLN  64           HN       GLN  64   7.243   6.374   0.281
  355    HA   GLN  64           HA       GLN  64   6.758   3.533   0.727
  356   1HB   GLN  64          HB2       GLN  64   4.885   5.754  -0.106
  357   2HB   GLN  64          HB1       GLN  64   4.412   4.088   0.167
  358   1HG   GLN  64          HG2       GLN  64   4.938   4.249   2.496
  359   2HG   GLN  64          HG1       GLN  64   5.631   5.857   2.263
  360   1HE2  GLN  64          HE21      GLN  64   4.267   7.601   1.893
  361   2HE2  GLN  64          HE22      GLN  64   2.582   7.542   2.263
  362    H    ARG  65           HN       ARG  65   8.358   3.118  -1.136
  363    HA   ARG  65           HA       ARG  65   7.215   3.604  -3.767
  364   1HB   ARG  65          HB2       ARG  65   9.757   3.595  -3.077
  365   2HB   ARG  65          HB1       ARG  65   9.609   1.863  -3.343
  366   1HG   ARG  65          HG2       ARG  65   8.871   2.251  -5.622
  367   2HG   ARG  65          HG1       ARG  65   8.950   3.994  -5.364
  368   1HD   ARG  65          HD2       ARG  65  11.300   2.118  -5.140
  369   2HD   ARG  65          HD1       ARG  65  10.916   3.077  -6.569
  370    HE   ARG  65           HE       ARG  65  11.168   4.632  -4.164
  371   1HH1  ARG  65          HH11      ARG  65  12.888   3.210  -6.847
  372   2HH1  ARG  65          HH12      ARG  65  14.211   4.323  -6.751
  373   1HH2  ARG  65          HH21      ARG  65  12.907   6.098  -4.036
  374   2HH2  ARG  65          HH22      ARG  65  14.223   5.963  -5.156
  375    H    TRP  66           HN       TRP  66   5.394   2.424  -3.916
  376    HA   TRP  66           HA       TRP  66   5.089  -0.259  -3.008
  377   1HB   TRP  66          HB2       TRP  66   3.367   0.945  -5.147
  378   2HB   TRP  66          HB1       TRP  66   2.908  -0.107  -3.815
  379    HD1  TRP  66           HD1      TRP  66   2.932   3.450  -4.833
  380    HE1  TRP  66           HE1      TRP  66   2.284   4.959  -2.852
  381    HE3  TRP  66           HE3      TRP  66   3.278   0.026  -1.057
  382    HZ2  TRP  66           HZ2      TRP  66   1.980   4.719  -0.060
  383    HZ3  TRP  66           HZ3      TRP  66   2.798   0.760   1.243
  384    HH2  TRP  66           HH2      TRP  66   2.156   3.057   1.723
  385    H    PHE  67           HN       PHE  67   5.070  -2.168  -4.127
  386    HA   PHE  67           HA       PHE  67   5.592  -2.273  -6.970
  387   1HB   PHE  67          HB2       PHE  67   7.612  -3.283  -4.964
  388   2HB   PHE  67          HB1       PHE  67   7.595  -3.766  -6.653
  389    HD1  PHE  67           HD1      PHE  67   8.946  -1.532  -4.331
  390    HD2  PHE  67           HD2      PHE  67   7.615  -1.768  -8.365
  391    HE1  PHE  67           HE1      PHE  67  10.343   0.410  -4.900
  392    HE2  PHE  67           HE2      PHE  67   9.010   0.176  -8.942
  393    HZ   PHE  67           HZ       PHE  67  10.377   1.266  -7.210
  394    H    PHE  68           HN       PHE  68   4.366  -3.860  -7.741
  395    HA   PHE  68           HA       PHE  68   3.813  -6.185  -6.021
  396   1HB   PHE  68          HB2       PHE  68   1.813  -4.806  -6.385
  397   2HB   PHE  68          HB1       PHE  68   2.032  -4.940  -8.127
  398    HD1  PHE  68           HD1      PHE  68   1.651  -7.087  -9.261
  399    HD2  PHE  68           HD2      PHE  68   0.847  -6.572  -5.113
  400    HE1  PHE  68           HE1      PHE  68   0.286  -9.134  -9.274
  401    HE2  PHE  68           HE2      PHE  68  -0.519  -8.619  -5.120
  402    HZ   PHE  68           HZ       PHE  68  -0.800  -9.904  -7.202
  403    H    SER  69           HN       SER  69   5.002  -7.838  -6.721
  404    HA   SER  69           HA       SER  69   5.878  -9.444  -8.069
  405   1HB   SER  69          HB2       SER  69   3.809  -8.446 -10.040
  406   2HB   SER  69          HB1       SER  69   4.724  -9.944 -10.195
  407    HG   SER  69           HG       SER  69   3.312 -10.837  -8.940
  408    H    GLY  70           HN       GLY  70   6.616  -6.413  -8.317
  409   1HA   GLY  70          HA2       GLY  70   8.765  -5.823  -9.258
  410   2HA   GLY  70          HA1       GLY  70   8.380  -6.843 -10.642
  411    H    ARG  71           HN       ARG  71   5.697  -5.034  -9.685
  412    HA   ARG  71           HA       ARG  71   6.297  -2.986 -11.719
  413   1HB   ARG  71          HB2       ARG  71   3.611  -4.192 -11.033
  414   2HB   ARG  71          HB1       ARG  71   3.898  -2.946 -12.239
  415   1HG   ARG  71          HG2       ARG  71   5.099  -5.703 -12.349
  416   2HG   ARG  71          HG1       ARG  71   3.605  -5.235 -13.165
  417   1HD   ARG  71          HD2       ARG  71   6.308  -3.968 -13.600
  418   2HD   ARG  71          HD1       ARG  71   5.558  -5.160 -14.661
  419    HE   ARG  71           HE       ARG  71   3.926  -2.841 -14.215
  420   1HH1  ARG  71          HH11      ARG  71   6.502  -4.187 -16.145
  421   2HH1  ARG  71          HH12      ARG  71   6.212  -3.136 -17.491
  422   1HH2  ARG  71          HH21      ARG  71   3.542  -1.457 -15.983
  423   2HH2  ARG  71          HH22      ARG  71   4.532  -1.586 -17.398
  424    HA   PRO  72           HA       PRO  72   5.688  -0.151  -8.323
  425   1HB   PRO  72          HB2       PRO  72   5.381   1.966 -10.319
  426   2HB   PRO  72          HB1       PRO  72   6.663   1.734  -9.129
  427   1HG   PRO  72          HG2       PRO  72   7.055   1.395 -11.785
  428   2HG   PRO  72          HG1       PRO  72   7.944   0.478 -10.559
  429   1HD   PRO  72          HD2       PRO  72   5.619  -0.361 -12.243
  430   2HD   PRO  72          HD1       PRO  72   7.055  -1.287 -11.758
  431    H    LEU  73           HN       LEU  73   3.800   0.106  -7.252
  432    HA   LEU  73           HA       LEU  73   1.320   0.154  -8.739
  433   1HB   LEU  73          HB2       LEU  73   1.827   0.372  -5.780
  434   2HB   LEU  73          HB1       LEU  73   0.241   0.297  -6.506
  435   1HD1  LEU  73          HD21      LEU  73   0.726  -1.738  -8.595
  436   2HD1  LEU  73          HD22      LEU  73  -0.593  -1.950  -7.443
  437   3HD1  LEU  73          HD23      LEU  73   0.602  -3.228  -7.661
  438   1HD2  LEU  73          HD11      LEU  73   2.759  -3.090  -6.344
  439   2HD2  LEU  73          HD12      LEU  73   3.359  -1.477  -5.967
  440   3HD2  LEU  73          HD13      LEU  73   3.089  -1.949  -7.644
  441    H    THR  74           HN       THR  74  -0.025   1.807  -9.114
  442    HA   THR  74           HA       THR  74   0.969   4.490  -8.640
  443    HB   THR  74           HB       THR  74   0.185   3.879 -10.898
  444    HG1  THR  74           HG1      THR  74  -1.102   5.768 -11.156
  445   1HG2  THR  74          HG21      THR  74  -2.064   3.400 -11.400
  446   2HG2  THR  74          HG22      THR  74  -2.614   3.884  -9.798
  447   3HG2  THR  74          HG23      THR  74  -1.694   2.395 -10.000
  448    H    ASP  75           HN       ASP  75  -1.300   5.967  -8.601
  449    HA   ASP  75           HA       ASP  75  -2.234   5.580  -5.882
  450   1HB   ASP  75          HB2       ASP  75  -2.431   7.871  -7.839
  451   2HB   ASP  75          HB1       ASP  75  -3.198   7.897  -6.257
  452    H    LYS  76           HN       LYS  76  -3.227   3.844  -8.003
  453    HA   LYS  76           HA       LYS  76  -6.044   4.089  -7.502
  454   1HB   LYS  76          HB2       LYS  76  -4.890   4.565 -10.246
  455   2HB   LYS  76          HB1       LYS  76  -6.553   4.033 -10.013
  456   1HG   LYS  76          HG2       LYS  76  -5.324   6.601  -9.027
  457   2HG   LYS  76          HG1       LYS  76  -6.494   6.416 -10.334
  458   1HD   LYS  76          HD2       LYS  76  -8.134   5.544  -8.718
  459   2HD   LYS  76          HD1       LYS  76  -6.966   5.794  -7.418
  460   1HE   LYS  76          HE2       LYS  76  -8.562   7.628  -7.509
  461   2HE   LYS  76          HE1       LYS  76  -6.939   8.190  -7.904
  462   1HZ   LYS  76          HZ1       LYS  76  -7.510   8.146 -10.238
  463   2HZ   LYS  76          HZ2       LYS  76  -8.620   9.107  -9.396
  464   3HZ   LYS  76          HZ3       LYS  76  -9.054   7.548  -9.888
  465    H    MET  77           HN       MET  77  -3.935   2.187  -7.013
  466    HA   MET  77           HA       MET  77  -4.343   0.038  -8.898
  467   1HB   MET  77          HB2       MET  77  -2.663   0.305  -6.426
  468   2HB   MET  77          HB1       MET  77  -2.803  -1.211  -7.307
  469   1HG   MET  77          HG2       MET  77  -1.708   1.395  -8.322
  470   2HG   MET  77          HG1       MET  77  -0.818  -0.093  -8.013
  471   1HE   MET  77          HE1       MET  77  -0.502  -0.238 -11.846
  472   2HE   MET  77          HE2       MET  77   0.310  -0.288 -10.283
  473   3HE   MET  77          HE3       MET  77  -0.367   1.228 -10.877
  474    H    LYS  78           HN       LYS  78  -5.565   0.800  -5.662
  475    HA   LYS  78           HA       LYS  78  -6.259  -1.800  -4.936
  476   1HB   LYS  78          HB2       LYS  78  -6.375   0.053  -3.366
  477   2HB   LYS  78          HB1       LYS  78  -7.758   0.713  -4.235
  478   1HG   LYS  78          HG2       LYS  78  -7.856  -2.067  -3.160
  479   2HG   LYS  78          HG1       LYS  78  -8.091  -0.696  -2.080
  480   1HD   LYS  78          HD2       LYS  78 -10.205  -0.609  -2.705
  481   2HD   LYS  78          HD1       LYS  78  -9.688  -0.203  -4.339
  482   1HE   LYS  78          HE2       LYS  78  -9.505  -2.638  -4.816
  483   2HE   LYS  78          HE1       LYS  78 -10.160  -2.962  -3.216
  484   1HZ   LYS  78          HZ1       LYS  78 -11.582  -1.365  -5.270
  485   2HZ   LYS  78          HZ2       LYS  78 -12.208  -1.948  -3.815
  486   3HZ   LYS  78          HZ3       LYS  78 -11.814  -3.026  -5.055
  487    H    PHE  79           HN       PHE  79  -8.651   0.601  -6.031
  488    HA   PHE  79           HA       PHE  79 -10.563  -1.263  -6.775
  489   1HB   PHE  79          HB2       PHE  79 -11.027   1.142  -6.474
  490   2HB   PHE  79          HB1       PHE  79 -10.139   1.493  -7.947
  491    HD1  PHE  79           HD1      PHE  79 -13.083  -0.364  -6.657
  492    HD2  PHE  79           HD2      PHE  79 -11.214   1.482 -10.005
  493    HE1  PHE  79           HE1      PHE  79 -15.143  -0.664  -7.967
  494    HE2  PHE  79           HE2      PHE  79 -13.271   1.185 -11.321
  495    HZ   PHE  79           HZ       PHE  79 -15.239   0.111 -10.302
  496    H    GLU  80           HN       GLU  80  -7.584  -0.699  -8.312
  497    HA   GLU  80           HA       GLU  80  -8.577  -1.333 -10.976
  498   1HB   GLU  80          HB2       GLU  80  -6.823   0.357 -10.763
  499   2HB   GLU  80          HB1       GLU  80  -5.763  -0.821  -9.999
  500   1HG   GLU  80          HG2       GLU  80  -5.738  -2.140 -12.048
  501   2HG   GLU  80          HG1       GLU  80  -6.820  -0.978 -12.814
  502    H    GLU  81           HN       GLU  81  -7.180  -2.946  -8.268
  503    HA   GLU  81           HA       GLU  81  -6.367  -5.244  -9.872
  504   1HB   GLU  81          HB2       GLU  81  -4.928  -4.348  -7.979
  505   2HB   GLU  81          HB1       GLU  81  -6.168  -4.925  -6.875
  506   1HG   GLU  81          HG2       GLU  81  -4.354  -6.513  -7.023
  507   2HG   GLU  81          HG1       GLU  81  -5.834  -7.204  -7.688
  508    H    LEU  82           HN       LEU  82  -8.230  -4.600  -6.941
  509    HA   LEU  82           HA       LEU  82 -10.218  -5.354  -6.183
  510   1HB   LEU  82          HB2       LEU  82 -10.536  -6.622  -8.900
  511   2HB   LEU  82          HB1       LEU  82 -11.775  -6.434  -7.692
  512    HG   LEU  82           HG       LEU  82 -12.219  -4.756  -9.251
  513   1HD1  LEU  82          HD11      LEU  82 -10.619  -3.478  -7.039
  514   2HD1  LEU  82          HD12      LEU  82 -12.317  -3.946  -6.959
  515   3HD1  LEU  82          HD13      LEU  82 -11.807  -2.665  -8.058
  516   1HD2  LEU  82          HD21      LEU  82  -9.411  -3.736  -9.127
  517   2HD2  LEU  82          HD22      LEU  82 -10.656  -3.411 -10.333
  518   3HD2  LEU  82          HD23      LEU  82  -9.882  -4.994 -10.268
  519    H    LYS  83           HN       LYS  83  -7.675  -7.305  -7.098
  520    HA   LYS  83           HA       LYS  83  -8.907  -9.727  -6.014
  521   1HB   LYS  83          HB2       LYS  83  -6.188  -9.581  -7.275
  522   2HB   LYS  83          HB1       LYS  83  -7.220 -10.985  -7.083
  523   1HG   LYS  83          HG2       LYS  83  -7.969  -8.682  -8.853
  524   2HG   LYS  83          HG1       LYS  83  -6.964 -10.017  -9.418
  525   1HD   LYS  83          HD2       LYS  83  -9.068 -10.725 -10.040
  526   2HD   LYS  83          HD1       LYS  83  -8.891 -11.495  -8.461
  527   1HE   LYS  83          HE2       LYS  83 -10.051  -9.497  -7.484
  528   2HE   LYS  83          HE1       LYS  83 -10.409  -8.986  -9.129
  529   1HZ   LYS  83          HZ1       LYS  83 -12.253 -10.209  -8.157
  530   2HZ   LYS  83          HZ2       LYS  83 -11.260 -11.552  -7.898
  531   3HZ   LYS  83          HZ3       LYS  83 -11.609 -11.052  -9.475
  532    H    ILE  84           HN       ILE  84  -8.380  -7.720  -4.186
  533    HA   ILE  84           HA       ILE  84  -5.998  -8.727  -2.782
  534    HB   ILE  84           HB       ILE  84  -5.860  -6.559  -1.647
  535   1HG1  ILE  84          HG12      ILE  84  -7.971  -5.558  -3.557
  536   2HG1  ILE  84          HG11      ILE  84  -8.377  -6.123  -1.941
  537   1HG2  ILE  84          HG21      ILE  84  -4.578  -6.896  -3.679
  538   2HG2  ILE  84          HG22      ILE  84  -5.131  -5.225  -3.575
  539   3HG2  ILE  84          HG23      ILE  84  -5.946  -6.357  -4.655
  540   1HD1  ILE  84          HD11      ILE  84  -8.141  -3.677  -2.106
  541   2HD1  ILE  84          HD12      ILE  84  -6.443  -3.897  -2.531
  542   3HD1  ILE  84          HD13      ILE  84  -7.031  -4.408  -0.948
  543    HA   PRO  85           HA       PRO  85  -9.905  -9.341  -0.142
  544   1HB   PRO  85          HB2       PRO  85 -10.273 -12.000  -0.391
  545   2HB   PRO  85          HB1       PRO  85 -10.985 -10.848  -1.528
  546   1HG   PRO  85          HG2       PRO  85  -8.508 -12.507  -1.816
  547   2HG   PRO  85          HG1       PRO  85  -9.794 -12.205  -3.000
  548   1HD   PRO  85          HD2       PRO  85  -7.420 -10.875  -3.021
  549   2HD   PRO  85          HD1       PRO  85  -8.940 -10.156  -3.593
  550    H    LYS  86           HN       LYS  86  -7.556  -8.850   0.889
  551    HA   LYS  86           HA       LYS  86  -6.208  -9.249   2.674
  552   1HB   LYS  86          HB2       LYS  86  -7.952 -11.676   3.142
  553   2HB   LYS  86          HB1       LYS  86  -6.848 -10.951   4.301
  554   1HG   LYS  86          HG2       LYS  86  -8.191  -8.937   4.368
  555   2HG   LYS  86          HG1       LYS  86  -9.272  -9.593   3.137
  556   1HD   LYS  86          HD2       LYS  86  -8.800 -10.810   5.859
  557   2HD   LYS  86          HD1       LYS  86 -10.184  -9.805   5.423
  558   1HE   LYS  86          HE2       LYS  86  -9.446 -12.456   4.188
  559   2HE   LYS  86          HE1       LYS  86 -10.759 -12.171   5.328
  560   1HZ   LYS  86          HZ1       LYS  86 -11.789 -10.700   3.697
  561   2HZ   LYS  86          HZ2       LYS  86 -11.589 -12.260   3.076
  562   3HZ   LYS  86          HZ3       LYS  86 -10.543 -11.020   2.598
  563    H    ASP  87           HN       ASP  87  -5.970 -10.671  -0.059
  564    HA   ASP  87           HA       ASP  87  -4.035 -12.723   0.790
  565   1HB   ASP  87          HB2       ASP  87  -5.610 -12.512  -1.784
  566   2HB   ASP  87          HB1       ASP  87  -4.356 -13.710  -1.477
  567    H    TYR  88           HN       TYR  88  -4.554 -10.724  -2.130
  568    HA   TYR  88           HA       TYR  88  -1.926 -10.649  -2.962
  569   1HB   TYR  88          HB2       TYR  88  -4.255  -8.826  -3.391
  570   2HB   TYR  88          HB1       TYR  88  -2.666  -8.344  -3.975
  571    HD1  TYR  88           HD1      TYR  88  -2.890  -8.493  -6.302
  572    HD2  TYR  88           HD2      TYR  88  -4.132 -11.759  -3.875
  573    HE1  TYR  88           HE1      TYR  88  -3.206  -9.865  -8.319
  574    HE2  TYR  88           HE2      TYR  88  -4.451 -13.140  -5.885
  575    HH   TYR  88           HH       TYR  88  -3.272 -12.249  -8.934
  576    H    VAL  89           HN       VAL  89  -0.275  -9.112  -2.828
  577    HA   VAL  89           HA       VAL  89  -0.438  -7.169  -0.653
  578    HB   VAL  89           HB       VAL  89   0.460  -9.222   0.347
  579   1HG1  VAL  89          HG11      VAL  89   1.445 -10.221  -1.633
  580   2HG1  VAL  89          HG12      VAL  89   2.646 -10.083  -0.350
  581   3HG1  VAL  89          HG13      VAL  89   2.659  -8.944  -1.696
  582   1HG2  VAL  89          HG21      VAL  89   2.023  -6.724   0.144
  583   2HG2  VAL  89          HG22      VAL  89   2.857  -8.111   0.840
  584   3HG2  VAL  89          HG23      VAL  89   1.357  -7.534   1.559
  585    H    VAL  90           HN       VAL  90   0.644  -5.308  -1.062
  586    HA   VAL  90           HA       VAL  90   2.203  -5.192  -3.537
  587    HB   VAL  90           HB       VAL  90   1.116  -2.902  -1.858
  588   1HG1  VAL  90          HG11      VAL  90   2.741  -3.004  -4.383
  589   2HG1  VAL  90          HG12      VAL  90   3.007  -2.043  -2.926
  590   3HG1  VAL  90          HG13      VAL  90   1.686  -1.636  -4.022
  591   1HG2  VAL  90          HG21      VAL  90  -0.442  -4.476  -3.258
  592   2HG2  VAL  90          HG22      VAL  90   0.210  -3.572  -4.625
  593   3HG2  VAL  90          HG23      VAL  90  -0.642  -2.726  -3.335
  594    H    GLN  91           HN       GLN  91   4.290  -5.502  -3.340
  595    HA   GLN  91           HA       GLN  91   5.644  -5.178  -0.860
  596   1HB   GLN  91          HB2       GLN  91   6.233  -6.895  -2.589
  597   2HB   GLN  91          HB1       GLN  91   6.878  -5.594  -3.581
  598   1HG   GLN  91          HG2       GLN  91   7.881  -5.786  -0.809
  599   2HG   GLN  91          HG1       GLN  91   8.380  -7.051  -1.932
  600   1HE2  GLN  91          HE21      GLN  91  10.518  -6.379  -1.891
  601   2HE2  GLN  91          HE22      GLN  91  11.050  -4.936  -2.679
  602    H    VAL  92           HN       VAL  92   6.098  -3.264  -0.056
  603    HA   VAL  92           HA       VAL  92   6.864  -1.101  -1.886
  604    HB   VAL  92           HB       VAL  92   4.941  -0.542  -0.585
  605   1HG1  VAL  92          HG11      VAL  92   4.733  -1.836   1.198
  606   2HG1  VAL  92          HG12      VAL  92   5.338  -0.380   1.971
  607   3HG1  VAL  92          HG13      VAL  92   6.431  -1.716   1.629
  608   1HG2  VAL  92          HG21      VAL  92   7.336   0.826   0.574
  609   2HG2  VAL  92          HG22      VAL  92   5.687   1.441   0.621
  610   3HG2  VAL  92          HG23      VAL  92   6.523   1.270  -0.922
  611    H    ILE  93           HN       ILE  93   8.536   0.433  -1.051
  612    HA   ILE  93           HA       ILE  93  10.394  -0.760   0.843
  613    HB   ILE  93           HB       ILE  93  12.318  -0.418  -0.605
  614   1HG1  ILE  93          HG12      ILE  93  10.321   0.184  -2.794
  615   2HG1  ILE  93          HG11      ILE  93  11.313   1.398  -1.992
  616   1HG2  ILE  93          HG21      ILE  93  11.168  -2.599  -0.549
  617   2HG2  ILE  93          HG22      ILE  93  11.960  -2.291  -2.093
  618   3HG2  ILE  93          HG23      ILE  93  10.212  -2.108  -1.947
  619   1HD1  ILE  93          HD11      ILE  93  13.318   0.097  -2.767
  620   2HD1  ILE  93          HD12      ILE  93  12.376   0.889  -4.030
  621   3HD1  ILE  93          HD13      ILE  93  12.214  -0.847  -3.766
  622    H    VAL  94           HN       VAL  94  11.226   0.645   2.170
  623    HA   VAL  94           HA       VAL  94  11.135   3.516   1.520
  624    HB   VAL  94           HB       VAL  94   9.631   3.358   3.310
  625   1HG1  VAL  94          HG11      VAL  94  10.147   0.939   3.749
  626   2HG1  VAL  94          HG12      VAL  94   9.826   1.898   5.192
  627   3HG1  VAL  94          HG13      VAL  94  11.483   1.472   4.767
  628   1HG2  VAL  94          HG21      VAL  94  11.675   4.879   3.724
  629   2HG2  VAL  94          HG22      VAL  94  12.147   3.673   4.920
  630   3HG2  VAL  94          HG23      VAL  94  10.608   4.519   5.082
  631    H    SER  95           HN       SER  95  13.190   3.717   0.730
  632    HA   SER  95           HA       SER  95  15.427   2.772   2.347
  633   1HB   SER  95          HB2       SER  95  15.414   2.371  -0.108
  634   2HB   SER  95          HB1       SER  95  15.462   4.114  -0.365
  635    HG   SER  95           HG       SER  95  17.442   4.023   0.973
  636    H    GLN  96           HN       GLN  96  13.883   4.883   3.446
  637    HA   GLN  96           HA       GLN  96  15.936   6.976   3.539
  638   1HB   GLN  96          HB2       GLN  96  12.964   7.515   3.457
  639   2HB   GLN  96          HB1       GLN  96  14.238   8.720   3.580
  640   1HG   GLN  96          HG2       GLN  96  15.068   7.975   1.360
  641   2HG   GLN  96          HG1       GLN  96  13.661   6.921   1.242
  642   1HE2  GLN  96          HE21      GLN  96  11.621   7.828   0.971
  643   2HE2  GLN  96          HE22      GLN  96  11.404   9.463   0.458
  644    HA   PRO  97           HA       PRO  97  14.734   5.475   7.773
  645   1HB   PRO  97          HB2       PRO  97  17.265   5.203   8.698
  646   2HB   PRO  97          HB1       PRO  97  16.438   3.929   7.794
  647   1HG   PRO  97          HG2       PRO  97  18.439   5.940   6.835
  648   2HG   PRO  97          HG1       PRO  97  18.331   4.207   6.470
  649   1HD   PRO  97          HD2       PRO  97  17.444   6.121   4.766
  650   2HD   PRO  97          HD1       PRO  97  16.696   4.516   4.879
  651    H    VAL  98           HN       VAL  98  17.273   7.756   6.800
  652    HA   VAL  98           HA       VAL  98  16.235   9.677   8.738
  653    HB   VAL  98           HB       VAL  98  18.077   8.489   9.888
  654   1HG1  VAL  98          HG11      VAL  98  19.800   9.614   7.685
  655   2HG1  VAL  98          HG12      VAL  98  19.429   7.911   7.950
  656   3HG1  VAL  98          HG13      VAL  98  20.384   8.800   9.136
  657   1HG2  VAL  98          HG21      VAL  98  19.091  10.406  10.784
  658   2HG2  VAL  98          HG22      VAL  98  17.516  10.954  10.214
  659   3HG2  VAL  98          HG23      VAL  98  18.963  11.291   9.266
  660    H    GLN  99           HN       GLN  99  15.957   9.619   5.944
  661    HA   GLN  99           HA       GLN  99  17.864  11.576   4.915
  662   1HB   GLN  99          HB2       GLN  99  15.571  10.198   3.505
  663   2HB   GLN  99          HB1       GLN  99  16.813  11.184   2.746
  664   1HG   GLN  99          HG2       GLN  99  17.355   8.623   4.229
  665   2HG   GLN  99          HG1       GLN  99  17.138   8.739   2.483
  666   1HE2  GLN  99          HE21      GLN  99  19.205   7.986   2.068
  667   2HE2  GLN  99          HE22      GLN  99  20.614   8.946   2.345
  668    H    ASN 100           HN       ASN 100  17.274  13.428   6.052
  669    HA   ASN 100           HA       ASN 100  14.537  14.374   5.918
  670   1HB   ASN 100          HB2       ASN 100  15.452  16.326   7.211
  671   2HB   ASN 100          HB1       ASN 100  15.671  14.763   7.993
  672   1HD2  ASN 100          HD21      ASN 100  17.213  17.476   6.539
  673   2HD2  ASN 100          HD22      ASN 100  18.838  17.026   6.915
  Start of MODEL   15
    1    H    GLY  21           H        GLY  21 -15.921  -4.165  -4.829
    2   1HA   GLY  21          HA1       GLY  21 -14.470  -3.975  -2.916
    3   2HA   GLY  21          HA2       GLY  21 -14.693  -2.423  -3.709
    4    H    TYR  22           HN       TYR  22 -16.102  -4.413  -1.114
    5    HA   TYR  22           HA       TYR  22 -16.822  -1.950   0.308
    6   1HB   TYR  22          HB2       TYR  22 -18.588  -3.669  -0.049
    7   2HB   TYR  22          HB1       TYR  22 -17.640  -4.801   0.910
    8    HD1  TYR  22           HD1      TYR  22 -17.344  -4.420   3.337
    9    HD2  TYR  22           HD2      TYR  22 -19.887  -1.949   0.986
   10    HE1  TYR  22           HE1      TYR  22 -18.419  -3.587   5.386
   11    HE2  TYR  22           HE2      TYR  22 -20.968  -1.109   3.028
   12    HH   TYR  22           HH       TYR  22 -19.692  -1.617   6.128
   13    H    GLU  23           HN       GLU  23 -15.558  -5.181   1.153
   14    HA   GLU  23           HA       GLU  23 -13.934  -3.892   3.246
   15   1HB   GLU  23          HB2       GLU  23 -15.580  -5.498   4.104
   16   2HB   GLU  23          HB1       GLU  23 -14.910  -6.749   3.067
   17   1HG   GLU  23          HG2       GLU  23 -12.796  -6.630   4.271
   18   2HG   GLU  23          HG1       GLU  23 -13.451  -5.358   5.302
   19    H    CYS  24           HN       CYS  24 -12.054  -3.450   2.197
   20    HA   CYS  24           HA       CYS  24 -10.672  -5.717   0.917
   21   1HB   CYS  24          HB2       CYS  24 -10.264  -2.767   0.376
   22   2HB   CYS  24          HB1       CYS  24  -9.494  -4.099  -0.478
   23    HG   CYS  24           HG       CYS  24 -12.451  -2.690  -0.991
   24    H    GLN  25           HN       GLN  25  -8.730  -6.317   1.691
   25    HA   GLN  25           HA       GLN  25  -7.394  -4.581   3.653
   26   1HB   GLN  25          HB2       GLN  25  -8.617  -6.410   4.801
   27   2HB   GLN  25          HB1       GLN  25  -7.702  -7.584   3.865
   28   1HG   GLN  25          HG2       GLN  25  -5.632  -6.792   4.888
   29   2HG   GLN  25          HG1       GLN  25  -6.549  -5.613   5.825
   30   1HE2  GLN  25          HE21      GLN  25  -5.888  -6.471   7.782
   31   2HE2  GLN  25          HE22      GLN  25  -6.474  -7.983   8.378
   32    H    LEU  26           HN       LEU  26  -5.574  -3.976   2.704
   33    HA   LEU  26           HA       LEU  26  -4.132  -5.909   1.011
   34   1HB   LEU  26          HB2       LEU  26  -4.880  -3.782  -0.024
   35   2HB   LEU  26          HB1       LEU  26  -3.892  -2.910   1.126
   36    HG   LEU  26           HG       LEU  26  -2.949  -3.185  -1.209
   37   1HD1  LEU  26          HD11      LEU  26  -1.687  -2.635   0.932
   38   2HD1  LEU  26          HD12      LEU  26  -0.745  -3.248  -0.424
   39   3HD1  LEU  26          HD13      LEU  26  -1.162  -4.314   0.909
   40   1HD2  LEU  26          HD21      LEU  26  -2.579  -6.010  -0.226
   41   2HD2  LEU  26          HD22      LEU  26  -1.788  -5.323  -1.642
   42   3HD2  LEU  26          HD23      LEU  26  -3.542  -5.490  -1.607
   43    H    ARG  27           HN       ARG  27  -2.147  -6.618   1.527
   44    HA   ARG  27           HA       ARG  27  -1.001  -5.687   4.036
   45   1HB   ARG  27          HB2       ARG  27  -0.054  -7.926   2.243
   46   2HB   ARG  27          HB1       ARG  27   0.455  -7.622   3.897
   47   1HG   ARG  27          HG2       ARG  27  -1.912  -8.032   4.603
   48   2HG   ARG  27          HG1       ARG  27  -2.244  -8.547   2.950
   49   1HD   ARG  27          HD2       ARG  27  -1.787 -10.471   4.360
   50   2HD   ARG  27          HD1       ARG  27  -0.519 -10.276   3.152
   51    HE   ARG  27           HE       ARG  27   0.982  -9.716   4.831
   52   1HH1  ARG  27          HH11      ARG  27  -2.235 -10.085   6.145
   53   2HH1  ARG  27          HH12      ARG  27  -1.688 -10.161   7.785
   54   1HH2  ARG  27          HH21      ARG  27   1.696  -9.813   6.989
   55   2HH2  ARG  27          HH22      ARG  27   0.541 -10.005   8.265
   56    H    LEU  28           HN       LEU  28   0.736  -4.343   4.158
   57    HA   LEU  28           HA       LEU  28   2.041  -3.633   1.610
   58   1HB   LEU  28          HB2       LEU  28   1.965  -2.217   4.264
   59   2HB   LEU  28          HB1       LEU  28   2.845  -1.655   2.858
   60    HG   LEU  28           HG       LEU  28   0.760  -0.431   3.124
   61   1HD1  LEU  28          HD11      LEU  28  -0.135  -0.782   0.852
   62   2HD1  LEU  28          HD12      LEU  28   0.837  -2.248   0.726
   63   3HD1  LEU  28          HD13      LEU  28   1.625  -0.678   0.899
   64   1HD2  LEU  28          HD21      LEU  28  -1.389  -1.452   2.930
   65   2HD2  LEU  28          HD22      LEU  28  -0.507  -2.299   4.199
   66   3HD2  LEU  28          HD23      LEU  28  -0.673  -3.028   2.603
   67    H    ARG  29           HN       ARG  29   4.088  -4.237   1.241
   68    HA   ARG  29           HA       ARG  29   5.700  -5.199   3.505
   69   1HB   ARG  29          HB2       ARG  29   5.301  -6.770   1.611
   70   2HB   ARG  29          HB1       ARG  29   6.129  -5.646   0.542
   71   1HG   ARG  29          HG2       ARG  29   7.713  -7.286   1.080
   72   2HG   ARG  29          HG1       ARG  29   8.134  -5.888   2.072
   73   1HD   ARG  29          HD2       ARG  29   8.264  -7.921   3.388
   74   2HD   ARG  29          HD1       ARG  29   6.953  -6.898   3.973
   75    HE   ARG  29           HE       ARG  29   5.839  -8.654   2.144
   76   1HH1  ARG  29          HH11      ARG  29   7.488  -8.849   5.213
   77   2HH1  ARG  29          HH12      ARG  29   6.676 -10.300   5.698
   78   1HH2  ARG  29          HH21      ARG  29   4.773 -10.564   2.778
   79   2HH2  ARG  29          HH22      ARG  29   5.136 -11.274   4.316
   80    H    LEU  30           HN       LEU  30   6.552  -3.270   4.276
   81    HA   LEU  30           HA       LEU  30   7.949  -1.543   2.380
   82   1HB   LEU  30          HB2       LEU  30   8.041  -0.662   5.112
   83   2HB   LEU  30          HB1       LEU  30   7.451   0.187   3.703
   84    HG   LEU  30           HG       LEU  30   5.823  -1.797   5.279
   85   1HD1  LEU  30          HD11      LEU  30   4.739   0.033   6.326
   86   2HD1  LEU  30          HD12      LEU  30   5.606   1.197   5.327
   87   3HD1  LEU  30          HD13      LEU  30   6.472   0.264   6.546
   88   1HD2  LEU  30          HD21      LEU  30   5.146  -1.514   2.931
   89   2HD2  LEU  30          HD22      LEU  30   4.969   0.217   3.222
   90   3HD2  LEU  30          HD23      LEU  30   3.941  -0.928   4.075
   91    H    SER  31           HN       SER  31   9.949  -0.425   3.364
   92    HA   SER  31           HA       SER  31  12.181  -0.680   3.766
   93   1HB   SER  31          HB2       SER  31  11.081  -2.263   6.099
   94   2HB   SER  31          HB1       SER  31  12.723  -1.631   5.983
   95    HG   SER  31           HG       SER  31  10.375  -0.339   6.587
   96    H    THR  32           HN       THR  32  10.512  -3.090   2.532
   97    HA   THR  32           HA       THR  32  11.209  -4.871   1.258
   98    HB   THR  32           HB       THR  32  13.868  -4.881   2.686
   99    HG1  THR  32           HG1      THR  32  13.033  -3.329   0.447
  100   1HG2  THR  32          HG21      THR  32  13.473  -6.850   1.375
  101   2HG2  THR  32          HG22      THR  32  14.607  -5.832   0.489
  102   3HG2  THR  32          HG23      THR  32  12.911  -5.889   0.008
  103    H    GLY  33           HN       GLY  33  10.286  -4.673   4.199
  104   1HA   GLY  33          HA2       GLY  33   9.749  -7.391   4.601
  105   2HA   GLY  33          HA1       GLY  33  11.188  -6.999   5.543
  106    H    LYS  34           HN       LYS  34   8.578  -4.775   4.857
  107    HA   LYS  34           HA       LYS  34   7.881  -4.779   7.716
  108   1HB   LYS  34          HB2       LYS  34   9.034  -2.762   7.162
  109   2HB   LYS  34          HB1       LYS  34   8.087  -2.556   5.709
  110   1HG   LYS  34          HG2       LYS  34   7.521  -1.001   7.494
  111   2HG   LYS  34          HG1       LYS  34   6.157  -1.971   6.952
  112   1HD   LYS  34          HD2       LYS  34   7.652  -3.140   9.181
  113   2HD   LYS  34          HD1       LYS  34   6.857  -1.607   9.556
  114   1HE   LYS  34          HE2       LYS  34   4.817  -2.680   8.360
  115   2HE   LYS  34          HE1       LYS  34   5.655  -4.199   8.675
  116   1HZ   LYS  34          HZ1       LYS  34   4.869  -2.206  10.732
  117   2HZ   LYS  34          HZ2       LYS  34   5.683  -3.657  11.033
  118   3HZ   LYS  34          HZ3       LYS  34   4.098  -3.685  10.442
  119    H    ASP  35           HN       ASP  35   6.287  -6.400   7.212
  120    HA   ASP  35           HA       ASP  35   4.146  -5.698   5.405
  121   1HB   ASP  35          HB2       ASP  35   3.284  -7.945   5.895
  122   2HB   ASP  35          HB1       ASP  35   4.976  -7.999   5.395
  123    H    LEU  36           HN       LEU  36   2.686  -4.452   6.033
  124    HA   LEU  36           HA       LEU  36   1.223  -4.937   8.492
  125   1HB   LEU  36          HB2       LEU  36   2.951  -3.124   8.919
  126   2HB   LEU  36          HB1       LEU  36   2.109  -2.149   7.730
  127    HG   LEU  36           HG       LEU  36   0.175  -1.965   9.098
  128   1HD1  LEU  36          HD11      LEU  36  -0.006  -4.240   9.881
  129   2HD1  LEU  36          HD12      LEU  36  -0.024  -3.142  11.261
  130   3HD1  LEU  36          HD13      LEU  36   1.439  -4.048  10.874
  131   1HD2  LEU  36          HD21      LEU  36   1.070  -0.999  11.175
  132   2HD2  LEU  36          HD22      LEU  36   1.988  -0.493   9.758
  133   3HD2  LEU  36          HD23      LEU  36   2.635  -1.734  10.829
  134    H    LYS  37           HN       LYS  37  -0.703  -5.385   7.674
  135    HA   LYS  37           HA       LYS  37  -1.506  -4.231   5.160
  136   1HB   LYS  37          HB2       LYS  37  -3.162  -5.859   5.069
  137   2HB   LYS  37          HB1       LYS  37  -1.822  -6.654   5.866
  138   1HG   LYS  37          HG2       LYS  37  -4.082  -5.419   7.408
  139   2HG   LYS  37          HG1       LYS  37  -4.133  -7.076   6.811
  140   1HD   LYS  37          HD2       LYS  37  -3.206  -7.562   8.804
  141   2HD   LYS  37          HD1       LYS  37  -1.711  -7.054   8.019
  142   1HE   LYS  37          HE2       LYS  37  -1.985  -4.808   8.923
  143   2HE   LYS  37          HE1       LYS  37  -3.512  -5.279   9.664
  144   1HZ   LYS  37          HZ1       LYS  37  -2.304  -6.878  11.024
  145   2HZ   LYS  37          HZ2       LYS  37  -1.718  -5.311  11.269
  146   3HZ   LYS  37          HZ3       LYS  37  -0.841  -6.402  10.319
  147    H    LEU  38           HN       LEU  38  -2.925  -2.698   4.792
  148    HA   LEU  38           HA       LEU  38  -4.237  -1.441   7.098
  149   1HB   LEU  38          HB2       LEU  38  -2.923   0.187   5.996
  150   2HB   LEU  38          HB1       LEU  38  -3.367  -0.423   4.407
  151    HG   LEU  38           HG       LEU  38  -5.729   0.398   4.896
  152   1HD1  LEU  38          HD11      LEU  38  -4.273   1.879   7.082
  153   2HD1  LEU  38          HD12      LEU  38  -5.493   0.628   7.312
  154   3HD1  LEU  38          HD13      LEU  38  -5.936   2.163   6.567
  155   1HD2  LEU  38          HD21      LEU  38  -3.363   2.185   4.497
  156   2HD2  LEU  38          HD22      LEU  38  -5.003   2.830   4.503
  157   3HD2  LEU  38          HD23      LEU  38  -4.539   1.611   3.318
  158    H    VAL  39           HN       VAL  39  -6.430  -1.042   7.100
  159    HA   VAL  39           HA       VAL  39  -8.031  -2.708   5.368
  160    HB   VAL  39           HB       VAL  39  -9.944  -1.945   6.707
  161   1HG1  VAL  39          HG11      VAL  39  -7.559  -2.744   8.370
  162   2HG1  VAL  39          HG12      VAL  39  -8.645  -3.834   7.508
  163   3HG1  VAL  39          HG13      VAL  39  -9.246  -2.880   8.865
  164   1HG2  VAL  39          HG21      VAL  39  -9.417  -0.525   8.748
  165   2HG2  VAL  39          HG22      VAL  39  -9.466   0.310   7.197
  166   3HG2  VAL  39          HG23      VAL  39  -7.915  -0.093   7.932
  167    H    VAL  40           HN       VAL  40  -8.559  -2.016   3.403
  168    HA   VAL  40           HA       VAL  40  -9.140   0.845   3.032
  169    HB   VAL  40           HB       VAL  40  -8.319   0.613   0.715
  170   1HG1  VAL  40          HG11      VAL  40  -6.092   0.934   1.247
  171   2HG1  VAL  40          HG12      VAL  40  -6.108  -0.303   2.503
  172   3HG1  VAL  40          HG13      VAL  40  -6.891   1.252   2.785
  173   1HG2  VAL  40          HG21      VAL  40  -7.446  -2.123   1.621
  174   2HG2  VAL  40          HG22      VAL  40  -6.987  -1.354   0.103
  175   3HG2  VAL  40          HG23      VAL  40  -8.672  -1.763   0.404
  176    H    ARG  41           HN       ARG  41 -10.476   1.240   1.044
  177    HA   ARG  41           HA       ARG  41 -12.257  -0.909   0.286
  178   1HB   ARG  41          HB2       ARG  41 -13.278  -0.125   2.332
  179   2HB   ARG  41          HB1       ARG  41 -13.194   1.537   1.777
  180   1HG   ARG  41          HG2       ARG  41 -14.738  -0.478   0.205
  181   2HG   ARG  41          HG1       ARG  41 -15.436   0.225   1.663
  182   1HD   ARG  41          HD2       ARG  41 -14.816   2.491   0.614
  183   2HD   ARG  41          HD1       ARG  41 -14.637   1.585  -0.888
  184    HE   ARG  41           HE       ARG  41 -17.089   0.854   0.010
  185   1HH1  ARG  41          HH11      ARG  41 -15.563   3.931  -0.610
  186   2HH1  ARG  41          HH12      ARG  41 -17.046   4.723  -1.027
  187   1HH2  ARG  41          HH21      ARG  41 -19.039   1.893  -0.539
  188   2HH2  ARG  41          HH22      ARG  41 -19.019   3.566  -0.987
  189    H    SER  42           HN       SER  42 -11.851  -0.711  -1.807
  190    HA   SER  42           HA       SER  42 -11.410   0.235  -3.857
  191   1HB   SER  42          HB2       SER  42 -13.536   0.965  -4.866
  192   2HB   SER  42          HB1       SER  42 -13.722  -0.487  -3.883
  193    HG   SER  42           HG       SER  42 -15.315   0.709  -3.116
  194    H    THR  43           HN       THR  43 -12.990   2.795  -1.893
  195    HA   THR  43           HA       THR  43 -12.060   4.879  -3.591
  196    HB   THR  43           HB       THR  43 -12.785   6.405  -1.779
  197    HG1  THR  43           HG1      THR  43 -13.032   5.649   0.180
  198   1HG2  THR  43          HG21      THR  43 -14.412   5.625  -3.425
  199   2HG2  THR  43          HG22      THR  43 -15.168   5.815  -1.843
  200   3HG2  THR  43          HG23      THR  43 -14.751   4.206  -2.433
  201    H    ASP  44           HN       ASP  44 -10.535   2.998  -1.225
  202    HA   ASP  44           HA       ASP  44  -8.682   4.995  -0.318
  203   1HB   ASP  44          HB2       ASP  44  -9.163   2.109   0.175
  204   2HB   ASP  44          HB1       ASP  44  -7.534   2.713   0.478
  205    H    THR  45           HN       THR  45  -7.928   1.843  -1.792
  206    HA   THR  45           HA       THR  45  -6.347   1.198  -3.303
  207    HB   THR  45           HB       THR  45  -6.027   2.534  -5.284
  208    HG1  THR  45           HG1      THR  45  -5.819   4.594  -4.254
  209   1HG2  THR  45          HG21      THR  45  -8.707   2.171  -4.112
  210   2HG2  THR  45          HG22      THR  45  -8.042   1.562  -5.628
  211   3HG2  THR  45          HG23      THR  45  -8.620   3.226  -5.524
  212    H    VAL  46           HN       VAL  46  -4.169   1.449  -3.981
  213    HA   VAL  46           HA       VAL  46  -2.263   1.873  -2.257
  214    HB   VAL  46           HB       VAL  46  -2.277   2.311  -5.185
  215   1HG1  VAL  46          HG11      VAL  46   0.178   2.685  -5.155
  216   2HG1  VAL  46          HG12      VAL  46   0.065   2.977  -3.417
  217   3HG1  VAL  46          HG13      VAL  46  -0.762   4.049  -4.549
  218   1HG2  VAL  46          HG21      VAL  46  -2.192   0.065  -4.242
  219   2HG2  VAL  46          HG22      VAL  46  -0.732   0.480  -3.342
  220   3HG2  VAL  46          HG23      VAL  46  -0.701   0.437  -5.106
  221    H    PHE  47           HN       PHE  47  -3.890   4.588  -3.821
  222    HA   PHE  47           HA       PHE  47  -2.084   6.609  -2.962
  223   1HB   PHE  47          HB2       PHE  47  -3.708   7.039  -4.728
  224   2HB   PHE  47          HB1       PHE  47  -5.039   6.764  -3.613
  225    HD1  PHE  47           HD1      PHE  47  -2.180   9.005  -4.332
  226    HD2  PHE  47           HD2      PHE  47  -5.886   8.505  -2.303
  227    HE1  PHE  47           HE1      PHE  47  -2.188  11.400  -3.765
  228    HE2  PHE  47           HE2      PHE  47  -5.902  10.898  -1.732
  229    HZ   PHE  47           HZ       PHE  47  -4.050  12.349  -2.463
  230    H    HIS  48           HN       HIS  48  -5.401   6.077  -1.717
  231    HA   HIS  48           HA       HIS  48  -4.916   7.351   0.726
  232   1HB   HIS  48          HB2       HIS  48  -6.833   5.113   0.078
  233   2HB   HIS  48          HB1       HIS  48  -6.841   6.029   1.584
  234    HD1  HIS  48           HD1      HIS  48  -7.456   6.499  -2.116
  235    HD2  HIS  48           HD2      HIS  48  -8.164   8.434   1.493
  236    HE1  HIS  48           HE1      HIS  48  -8.976   8.424  -2.672
  237    HE2  HIS  48           HE2      HIS  48  -9.451   9.536  -0.461
  238    H    MET  49           HN       MET  49  -4.627   3.997  -0.301
  239    HA   MET  49           HA       MET  49  -3.814   2.692   1.931
  240   1HB   MET  49          HB2       MET  49  -3.884   1.805  -0.479
  241   2HB   MET  49          HB1       MET  49  -2.280   2.499  -0.650
  242   1HG   MET  49          HG2       MET  49  -1.998   0.202  -0.181
  243   2HG   MET  49          HG1       MET  49  -1.527   1.099   1.260
  244   1HE   MET  49          HE1       MET  49  -5.261  -1.517   0.748
  245   2HE   MET  49          HE2       MET  49  -3.973  -1.283  -0.432
  246   3HE   MET  49          HE3       MET  49  -5.134   0.008  -0.129
  247    H    LYS  50           HN       LYS  50  -1.893   4.662  -0.234
  248    HA   LYS  50           HA       LYS  50   0.522   4.621   1.210
  249   1HB   LYS  50          HB2       LYS  50   0.593   5.223  -1.104
  250   2HB   LYS  50          HB1       LYS  50  -0.587   6.500  -0.878
  251   1HG   LYS  50          HG2       LYS  50   1.216   7.521   0.698
  252   2HG   LYS  50          HG1       LYS  50   2.313   6.466  -0.196
  253   1HD   LYS  50          HD2       LYS  50   1.496   7.480  -2.304
  254   2HD   LYS  50          HD1       LYS  50   0.499   8.582  -1.354
  255   1HE   LYS  50          HE2       LYS  50   2.517   9.469  -0.282
  256   2HE   LYS  50          HE1       LYS  50   3.507   8.378  -1.250
  257   1HZ   LYS  50          HZ1       LYS  50   2.704   9.484  -3.246
  258   2HZ   LYS  50          HZ2       LYS  50   3.448  10.591  -2.205
  259   3HZ   LYS  50          HZ3       LYS  50   1.761  10.534  -2.312
  260    H    ARG  51           HN       ARG  51  -2.326   6.687   1.235
  261    HA   ARG  51           HA       ARG  51  -1.497   8.810   2.719
  262   1HB   ARG  51          HB2       ARG  51  -3.828   8.435   1.854
  263   2HB   ARG  51          HB1       ARG  51  -4.102   7.376   3.229
  264   1HG   ARG  51          HG2       ARG  51  -5.025   9.506   3.741
  265   2HG   ARG  51          HG1       ARG  51  -3.580   9.286   4.729
  266   1HD   ARG  51          HD2       ARG  51  -3.524  11.510   3.894
  267   2HD   ARG  51          HD1       ARG  51  -2.316  10.590   3.000
  268    HE   ARG  51           HE       ARG  51  -4.733  10.545   1.577
  269   1HH1  ARG  51          HH11      ARG  51  -2.196  12.765   2.477
  270   2HH1  ARG  51          HH12      ARG  51  -2.422  13.781   1.094
  271   1HH2  ARG  51          HH21      ARG  51  -5.033  11.882  -0.244
  272   2HH2  ARG  51          HH22      ARG  51  -4.032  13.280  -0.451
  273    H    ARG  52           HN       ARG  52  -2.184   5.549   3.708
  274    HA   ARG  52           HA       ARG  52  -1.685   6.097   6.506
  275   1HB   ARG  52          HB2       ARG  52  -2.282   3.523   5.051
  276   2HB   ARG  52          HB1       ARG  52  -2.104   3.667   6.794
  277   1HG   ARG  52          HG2       ARG  52  -4.204   5.010   5.105
  278   2HG   ARG  52          HG1       ARG  52  -4.444   3.633   6.177
  279   1HD   ARG  52          HD2       ARG  52  -3.766   5.025   8.088
  280   2HD   ARG  52          HD1       ARG  52  -3.584   6.402   7.002
  281    HE   ARG  52           HE       ARG  52  -6.175   5.371   6.721
  282   1HH1  ARG  52          HH11      ARG  52  -4.215   7.050   9.071
  283   2HH1  ARG  52          HH12      ARG  52  -5.565   7.832   9.823
  284   1HH2  ARG  52          HH21      ARG  52  -7.951   6.403   7.706
  285   2HH2  ARG  52          HH22      ARG  52  -7.686   7.465   9.048
  286    H    LEU  53           HN       LEU  53  -0.038   4.720   3.711
  287    HA   LEU  53           HA       LEU  53   2.051   3.392   4.932
  288   1HB   LEU  53          HB2       LEU  53   1.826   4.961   2.411
  289   2HB   LEU  53          HB1       LEU  53   3.433   4.531   2.960
  290    HG   LEU  53           HG       LEU  53   2.910   2.176   2.857
  291   1HD1  LEU  53          HD11      LEU  53   0.448   2.598   3.498
  292   2HD1  LEU  53          HD12      LEU  53   0.825   1.269   2.404
  293   3HD1  LEU  53          HD13      LEU  53   0.196   2.780   1.762
  294   1HD2  LEU  53          HD21      LEU  53   3.682   3.139   0.800
  295   2HD2  LEU  53          HD22      LEU  53   2.055   3.683   0.393
  296   3HD2  LEU  53          HD23      LEU  53   2.423   1.960   0.432
  297    H    HIS  54           HN       HIS  54   1.433   6.811   4.661
  298    HA   HIS  54           HA       HIS  54   3.931   7.495   5.963
  299   1HB   HIS  54          HB2       HIS  54   3.456   9.737   5.454
  300   2HB   HIS  54          HB1       HIS  54   2.849   8.848   4.067
  301    HD1  HIS  54           HD1      HIS  54   1.368  10.091   7.359
  302    HD2  HIS  54           HD2      HIS  54   0.443   9.785   3.320
  303    HE1  HIS  54           HE1      HIS  54  -0.900  11.141   7.109
  304    HE2  HIS  54           HE2      HIS  54  -1.379  11.062   4.639
  305    H    ALA  55           HN       ALA  55   0.457   7.425   6.610
  306    HA   ALA  55           HA       ALA  55   0.732   8.536   9.248
  307   1HB   ALA  55          HB1       ALA  55  -1.651   7.043   8.192
  308   2HB   ALA  55          HB2       ALA  55  -1.307   8.721   7.776
  309   3HB   ALA  55          HB3       ALA  55  -1.603   8.271   9.455
  310    H    ALA  56           HN       ALA  56  -0.405   5.294   8.191
  311    HA   ALA  56           HA       ALA  56  -0.223   4.181  10.782
  312   1HB   ALA  56          HB1       ALA  56  -0.303   2.764   8.125
  313   2HB   ALA  56          HB2       ALA  56  -1.707   3.307   9.044
  314   3HB   ALA  56          HB3       ALA  56  -0.654   2.054   9.701
  315    H    GLU  57           HN       GLU  57   1.962   3.967   7.966
  316    HA   GLU  57           HA       GLU  57   3.829   2.383   9.539
  317   1HB   GLU  57          HB2       GLU  57   4.392   3.372   6.766
  318   2HB   GLU  57          HB1       GLU  57   4.974   1.919   7.560
  319   1HG   GLU  57          HG2       GLU  57   2.168   2.418   6.598
  320   2HG   GLU  57          HG1       GLU  57   3.366   1.373   5.838
  321    H    GLY  58           HN       GLY  58   3.913   5.493   7.757
  322   1HA   GLY  58          HA2       GLY  58   4.889   7.351   9.139
  323   2HA   GLY  58          HA1       GLY  58   6.198   6.229   9.492
  324    H    VAL  59           HN       VAL  59   5.301   5.718   6.332
  325    HA   VAL  59           HA       VAL  59   7.604   7.202   5.370
  326    HB   VAL  59           HB       VAL  59   5.746   5.327   3.893
  327   1HG1  VAL  59          HG11      VAL  59   7.246   7.109   2.666
  328   2HG1  VAL  59          HG12      VAL  59   7.107   5.460   2.063
  329   3HG1  VAL  59          HG13      VAL  59   8.518   5.936   3.006
  330   1HG2  VAL  59          HG21      VAL  59   8.469   4.812   5.084
  331   2HG2  VAL  59          HG22      VAL  59   7.509   3.665   4.149
  332   3HG2  VAL  59          HG23      VAL  59   6.935   4.218   5.722
  333    H    GLU  60           HN       GLU  60   6.871   9.338   5.459
  334    HA   GLU  60           HA       GLU  60   4.555  10.030   3.831
  335   1HB   GLU  60          HB2       GLU  60   4.534  12.163   4.899
  336   2HB   GLU  60          HB1       GLU  60   4.740  10.940   6.141
  337   1HG   GLU  60          HG2       GLU  60   7.012  11.482   6.438
  338   2HG   GLU  60          HG1       GLU  60   7.047  12.460   4.971
  339    HA   PRO  61           HA       PRO  61   8.118  12.688   1.847
  340   1HB   PRO  61          HB2       PRO  61  10.457  10.934   2.090
  341   2HB   PRO  61          HB1       PRO  61  10.305  12.652   2.462
  342   1HG   PRO  61          HG2       PRO  61  10.590  10.794   4.388
  343   2HG   PRO  61          HG1       PRO  61   9.620  12.260   4.626
  344   1HD   PRO  61          HD2       PRO  61   8.717   9.473   3.990
  345   2HD   PRO  61          HD1       PRO  61   8.041  10.641   5.138
  346    H    GLY  62           HN       GLY  62  10.181  11.548   0.190
  347   1HA   GLY  62          HA2       GLY  62   8.517  10.318  -1.806
  348   2HA   GLY  62          HA1       GLY  62  10.228  10.688  -1.957
  349    H    SER  63           HN       SER  63   9.494   8.920   0.841
  350    HA   SER  63           HA       SER  63  10.817   6.571  -0.191
  351   1HB   SER  63          HB2       SER  63   9.818   7.377   2.538
  352   2HB   SER  63          HB1       SER  63  10.530   5.804   2.209
  353    HG   SER  63           HG       SER  63  12.393   6.996   1.412
  354    H    GLN  64           HN       GLN  64   7.898   7.422  -0.862
  355    HA   GLN  64           HA       GLN  64   6.589   4.928  -0.032
  356   1HB   GLN  64          HB2       GLN  64   5.281   7.393  -1.183
  357   2HB   GLN  64          HB1       GLN  64   4.487   6.023  -0.417
  358   1HG   GLN  64          HG2       GLN  64   5.338   6.620   1.718
  359   2HG   GLN  64          HG1       GLN  64   6.405   7.836   1.018
  360   1HE2  GLN  64          HE21      GLN  64   3.167   7.057   1.958
  361   2HE2  GLN  64          HE22      GLN  64   2.514   8.649   1.799
  362    H    ARG  65           HN       ARG  65   8.033   3.974  -1.807
  363    HA   ARG  65           HA       ARG  65   6.948   4.443  -4.486
  364   1HB   ARG  65          HB2       ARG  65   9.212   2.638  -3.626
  365   2HB   ARG  65          HB1       ARG  65   8.777   3.037  -5.279
  366   1HG   ARG  65          HG2       ARG  65   9.287   5.416  -4.781
  367   2HG   ARG  65          HG1       ARG  65   9.868   4.910  -3.193
  368   1HD   ARG  65          HD2       ARG  65  11.542   3.484  -4.259
  369   2HD   ARG  65          HD1       ARG  65  10.953   3.970  -5.847
  370    HE   ARG  65           HE       ARG  65  11.606   6.306  -4.548
  371   1HH1  ARG  65          HH11      ARG  65  13.281   3.392  -5.488
  372   2HH1  ARG  65          HH12      ARG  65  14.809   4.183  -5.680
  373   1HH2  ARG  65          HH21      ARG  65  13.615   7.349  -4.803
  374   2HH2  ARG  65          HH22      ARG  65  15.000   6.429  -5.291
  375    H    TRP  66           HN       TRP  66   5.023   3.457  -4.689
  376    HA   TRP  66           HA       TRP  66   4.366   0.967  -3.456
  377   1HB   TRP  66          HB2       TRP  66   2.781   1.900  -5.792
  378   2HB   TRP  66          HB1       TRP  66   2.237   1.308  -4.227
  379    HD1  TRP  66           HD1      TRP  66   2.478   3.157  -2.140
  380    HE1  TRP  66           HE1      TRP  66   2.118   5.702  -2.211
  381    HE3  TRP  66           HE3      TRP  66   2.931   3.903  -7.176
  382    HZ2  TRP  66           HZ2      TRP  66   2.031   7.759  -4.149
  383    HZ3  TRP  66           HZ3      TRP  66   2.694   6.187  -8.058
  384    HH2  TRP  66           HH2      TRP  66   2.253   8.074  -6.574
  385    H    PHE  67           HN       PHE  67   4.569  -1.059  -4.185
  386    HA   PHE  67           HA       PHE  67   4.913  -1.590  -7.019
  387   1HB   PHE  67          HB2       PHE  67   7.074  -1.979  -4.987
  388   2HB   PHE  67          HB1       PHE  67   6.948  -3.094  -6.341
  389    HD1  PHE  67           HD1      PHE  67   7.367   0.484  -5.475
  390    HD2  PHE  67           HD2      PHE  67   7.750  -2.526  -8.459
  391    HE1  PHE  67           HE1      PHE  67   8.600   2.061  -6.907
  392    HE2  PHE  67           HE2      PHE  67   8.984  -0.954  -9.893
  393    HZ   PHE  67           HZ       PHE  67   9.411   1.343  -9.117
  394    H    PHE  68           HN       PHE  68   3.904  -3.406  -7.575
  395    HA   PHE  68           HA       PHE  68   3.480  -5.479  -5.532
  396   1HB   PHE  68          HB2       PHE  68   1.403  -4.207  -5.814
  397   2HB   PHE  68          HB1       PHE  68   1.456  -4.498  -7.550
  398    HD1  PHE  68           HD1      PHE  68   0.390  -6.346  -8.450
  399    HD2  PHE  68           HD2      PHE  68   1.292  -6.281  -4.292
  400    HE1  PHE  68           HE1      PHE  68  -0.886  -8.428  -8.144
  401    HE2  PHE  68           HE2      PHE  68   0.018  -8.362  -3.978
  402    HZ   PHE  68           HZ       PHE  68  -1.073  -9.439  -5.906
  403    H    SER  69           HN       SER  69   4.226  -7.390  -6.148
  404    HA   SER  69           HA       SER  69   4.887  -9.155  -7.417
  405   1HB   SER  69          HB2       SER  69   3.257  -7.851  -9.610
  406   2HB   SER  69          HB1       SER  69   3.861  -9.507  -9.616
  407    HG   SER  69           HG       SER  69   1.588  -8.667  -8.643
  408    H    GLY  70           HN       GLY  70   6.002  -6.150  -7.760
  409   1HA   GLY  70          HA2       GLY  70   8.315  -5.882  -8.419
  410   2HA   GLY  70          HA1       GLY  70   8.015  -7.010  -9.738
  411    H    ARG  71           HN       ARG  71   5.439  -4.861  -9.374
  412    HA   ARG  71           HA       ARG  71   6.582  -3.014 -11.362
  413   1HB   ARG  71          HB2       ARG  71   3.802  -4.205 -11.381
  414   2HB   ARG  71          HB1       ARG  71   4.375  -2.961 -12.483
  415   1HG   ARG  71          HG2       ARG  71   5.428  -5.773 -12.265
  416   2HG   ARG  71          HG1       ARG  71   4.416  -5.125 -13.557
  417   1HD   ARG  71          HD2       ARG  71   7.213  -4.238 -12.858
  418   2HD   ARG  71          HD1       ARG  71   6.745  -5.211 -14.252
  419    HE   ARG  71           HE       ARG  71   5.258  -2.932 -14.475
  420   1HH1  ARG  71          HH11      ARG  71   8.666  -3.627 -14.201
  421   2HH1  ARG  71          HH12      ARG  71   9.151  -2.238 -15.115
  422   1HH2  ARG  71          HH21      ARG  71   5.893  -1.102 -15.674
  423   2HH2  ARG  71          HH22      ARG  71   7.576  -0.804 -15.950
  424    HA   PRO  72           HA       PRO  72   5.157   0.178  -8.672
  425   1HB   PRO  72          HB2       PRO  72   4.814   2.212 -10.439
  426   2HB   PRO  72          HB1       PRO  72   6.406   1.646  -9.922
  427   1HG   PRO  72          HG2       PRO  72   4.889   1.013 -12.424
  428   2HG   PRO  72          HG1       PRO  72   6.611   1.387 -12.224
  429   1HD   PRO  72          HD2       PRO  72   5.694  -1.145 -12.513
  430   2HD   PRO  72          HD1       PRO  72   7.125  -0.754 -11.538
  431    H    LEU  73           HN       LEU  73   3.205   0.312  -7.757
  432    HA   LEU  73           HA       LEU  73   0.824  -0.135  -9.343
  433   1HB   LEU  73          HB2       LEU  73   1.344   0.235  -6.413
  434   2HB   LEU  73          HB1       LEU  73  -0.288   0.238  -7.045
  435   1HD1  LEU  73          HD21      LEU  73  -1.261  -1.798  -6.226
  436   2HD1  LEU  73          HD22      LEU  73   0.062  -1.638  -5.074
  437   3HD1  LEU  73          HD23      LEU  73  -0.211  -3.174  -5.893
  438   1HD2  LEU  73          HD11      LEU  73   0.042  -3.335  -8.296
  439   2HD2  LEU  73          HD12      LEU  73   1.013  -2.155  -9.175
  440   3HD2  LEU  73          HD13      LEU  73  -0.667  -1.796  -8.780
  441    H    THR  74           HN       THR  74  -1.095   1.235  -9.131
  442    HA   THR  74           HA       THR  74  -0.362   4.083  -9.185
  443    HB   THR  74           HB       THR  74  -2.175   4.488 -10.678
  444    HG1  THR  74           HG1      THR  74  -3.872   3.264 -10.342
  445   1HG2  THR  74          HG21      THR  74  -0.776   1.940 -11.501
  446   2HG2  THR  74          HG22      THR  74  -0.170   3.580 -11.734
  447   3HG2  THR  74          HG23      THR  74  -1.619   3.046 -12.586
  448    H    ASP  75           HN       ASP  75  -2.708   5.315  -8.947
  449    HA   ASP  75           HA       ASP  75  -3.384   4.872  -6.159
  450   1HB   ASP  75          HB2       ASP  75  -4.581   7.070  -6.419
  451   2HB   ASP  75          HB1       ASP  75  -2.849   7.133  -6.737
  452    H    LYS  76           HN       LYS  76  -4.430   3.122  -8.372
  453    HA   LYS  76           HA       LYS  76  -7.219   3.203  -7.543
  454   1HB   LYS  76          HB2       LYS  76  -6.266   3.436 -10.390
  455   2HB   LYS  76          HB1       LYS  76  -7.871   2.826 -10.000
  456   1HG   LYS  76          HG2       LYS  76  -7.033   5.441  -8.858
  457   2HG   LYS  76          HG1       LYS  76  -7.453   5.360 -10.568
  458   1HD   LYS  76          HD2       LYS  76  -9.393   5.974  -9.231
  459   2HD   LYS  76          HD1       LYS  76  -9.630   4.397  -9.984
  460   1HE   LYS  76          HE2       LYS  76  -9.127   3.278  -7.917
  461   2HE   LYS  76          HE1       LYS  76  -8.684   4.802  -7.150
  462   1HZ   LYS  76          HZ1       LYS  76 -10.900   4.112  -6.505
  463   2HZ   LYS  76          HZ2       LYS  76 -11.395   4.070  -8.122
  464   3HZ   LYS  76          HZ3       LYS  76 -10.976   5.543  -7.404
  465    H    MET  77           HN       MET  77  -4.956   1.461  -7.028
  466    HA   MET  77           HA       MET  77  -5.378  -0.912  -8.602
  467   1HB   MET  77          HB2       MET  77  -3.699  -0.452  -6.144
  468   2HB   MET  77          HB1       MET  77  -3.698  -1.927  -7.099
  469   1HG   MET  77          HG2       MET  77  -2.819   0.809  -7.999
  470   2HG   MET  77          HG1       MET  77  -1.797  -0.586  -7.669
  471   1HE   MET  77          HE1       MET  77  -5.153  -0.322 -10.408
  472   2HE   MET  77          HE2       MET  77  -3.989   0.633 -11.326
  473   3HE   MET  77          HE3       MET  77  -4.374   1.073  -9.663
  474    H    LYS  78           HN       LYS  78  -6.320   0.131  -5.334
  475    HA   LYS  78           HA       LYS  78  -7.003  -2.381  -4.351
  476   1HB   LYS  78          HB2       LYS  78  -7.846   0.370  -3.662
  477   2HB   LYS  78          HB1       LYS  78  -8.802  -0.958  -3.038
  478   1HG   LYS  78          HG2       LYS  78  -6.961  -0.099  -1.536
  479   2HG   LYS  78          HG1       LYS  78  -7.014  -1.839  -1.809
  480   1HD   LYS  78          HD2       LYS  78  -5.345  -0.397  -3.732
  481   2HD   LYS  78          HD1       LYS  78  -4.793  -0.251  -2.066
  482   1HE   LYS  78          HE2       LYS  78  -4.823  -2.694  -1.853
  483   2HE   LYS  78          HE1       LYS  78  -5.353  -2.828  -3.528
  484   1HZ   LYS  78          HZ1       LYS  78  -2.979  -3.175  -3.337
  485   2HZ   LYS  78          HZ2       LYS  78  -2.782  -1.659  -2.613
  486   3HZ   LYS  78          HZ3       LYS  78  -3.292  -1.767  -4.222
  487    H    PHE  79           HN       PHE  79  -9.337   0.042  -5.506
  488    HA   PHE  79           HA       PHE  79 -11.464  -1.760  -5.702
  489   1HB   PHE  79          HB2       PHE  79 -11.731   0.703  -5.631
  490   2HB   PHE  79          HB1       PHE  79 -11.065   0.810  -7.253
  491    HD1  PHE  79           HD1      PHE  79 -13.635  -1.375  -5.653
  492    HD2  PHE  79           HD2      PHE  79 -12.683   1.359  -8.772
  493    HE1  PHE  79           HE1      PHE  79 -15.890  -1.668  -6.593
  494    HE2  PHE  79           HE2      PHE  79 -14.937   1.071  -9.718
  495    HZ   PHE  79           HZ       PHE  79 -16.543  -0.444  -8.628
  496    H    GLU  80           HN       GLU  80  -8.712  -1.455  -7.719
  497    HA   GLU  80           HA       GLU  80 -10.108  -2.419 -10.092
  498   1HB   GLU  80          HB2       GLU  80  -7.349  -1.412  -9.550
  499   2HB   GLU  80          HB1       GLU  80  -7.627  -2.425 -10.960
  500   1HG   GLU  80          HG2       GLU  80  -9.408  -0.833 -11.666
  501   2HG   GLU  80          HG1       GLU  80  -8.925   0.215 -10.334
  502    H    GLU  81           HN       GLU  81  -8.333  -3.676  -7.439
  503    HA   GLU  81           HA       GLU  81  -7.680  -6.148  -8.846
  504   1HB   GLU  81          HB2       GLU  81  -6.050  -4.995  -7.252
  505   2HB   GLU  81          HB1       GLU  81  -7.118  -5.503  -5.951
  506   1HG   GLU  81          HG2       GLU  81  -5.264  -7.038  -6.191
  507   2HG   GLU  81          HG1       GLU  81  -6.785  -7.836  -6.583
  508    H    LEU  82           HN       LEU  82  -9.056  -5.299  -5.704
  509    HA   LEU  82           HA       LEU  82 -10.868  -6.016  -4.565
  510   1HB   LEU  82          HB2       LEU  82 -11.727  -7.368  -7.119
  511   2HB   LEU  82          HB1       LEU  82 -12.713  -7.036  -5.722
  512    HG   LEU  82           HG       LEU  82 -13.393  -5.388  -7.166
  513   1HD1  LEU  82          HD11      LEU  82 -12.656  -4.423  -5.018
  514   2HD1  LEU  82          HD12      LEU  82 -12.555  -3.284  -6.360
  515   3HD1  LEU  82          HD13      LEU  82 -11.093  -4.057  -5.749
  516   1HD2  LEU  82          HD21      LEU  82 -10.630  -4.630  -7.981
  517   2HD2  LEU  82          HD22      LEU  82 -12.153  -4.389  -8.834
  518   3HD2  LEU  82          HD23      LEU  82 -11.435  -5.997  -8.744
  519    H    LYS  83           HN       LYS  83  -8.573  -8.029  -5.905
  520    HA   LYS  83           HA       LYS  83  -9.609 -10.403  -4.543
  521   1HB   LYS  83          HB2       LYS  83  -7.222 -10.346  -6.362
  522   2HB   LYS  83          HB1       LYS  83  -8.211 -11.723  -5.917
  523   1HG   LYS  83          HG2       LYS  83  -9.308  -9.442  -7.520
  524   2HG   LYS  83          HG1       LYS  83  -8.450 -10.787  -8.275
  525   1HD   LYS  83          HD2       LYS  83 -10.634 -11.509  -8.409
  526   2HD   LYS  83          HD1       LYS  83 -10.121 -12.241  -6.886
  527   1HE   LYS  83          HE2       LYS  83 -11.041 -10.203  -5.740
  528   2HE   LYS  83          HE1       LYS  83 -11.760  -9.751  -7.282
  529   1HZ   LYS  83          HZ1       LYS  83 -12.986 -11.834  -7.279
  530   2HZ   LYS  83          HZ2       LYS  83 -13.335 -10.937  -5.889
  531   3HZ   LYS  83          HZ3       LYS  83 -12.296 -12.268  -5.796
  532    H    ILE  84           HN       ILE  84  -8.358  -8.071  -3.236
  533    HA   ILE  84           HA       ILE  84  -5.933  -9.320  -2.165
  534    HB   ILE  84           HB       ILE  84  -5.290  -7.079  -1.382
  535   1HG1  ILE  84          HG12      ILE  84  -7.850  -6.231  -2.760
  536   2HG1  ILE  84          HG11      ILE  84  -7.465  -6.062  -1.052
  537   1HG2  ILE  84          HG21      ILE  84  -5.773  -6.346  -4.135
  538   2HG2  ILE  84          HG22      ILE  84  -5.283  -8.033  -3.997
  539   3HG2  ILE  84          HG23      ILE  84  -4.260  -6.762  -3.329
  540   1HD1  ILE  84          HD11      ILE  84  -7.253  -3.935  -2.110
  541   2HD1  ILE  84          HD12      ILE  84  -6.189  -4.604  -3.347
  542   3HD1  ILE  84          HD13      ILE  84  -5.642  -4.506  -1.674
  543    HA   PRO  85           HA       PRO  85  -9.203  -9.381   1.226
  544   1HB   PRO  85          HB2       PRO  85  -9.112 -12.039   1.735
  545   2HB   PRO  85          HB1       PRO  85 -10.177 -11.344   0.506
  546   1HG   PRO  85          HG2       PRO  85  -7.506 -12.661   0.171
  547   2HG   PRO  85          HG1       PRO  85  -8.986 -12.878  -0.783
  548   1HD   PRO  85          HD2       PRO  85  -6.951 -11.304  -1.614
  549   2HD   PRO  85          HD1       PRO  85  -8.649 -10.939  -1.983
  550    H    LYS  86           HN       LYS  86  -6.065 -10.881   0.788
  551    HA   LYS  86           HA       LYS  86  -4.897  -9.770   3.051
  552   1HB   LYS  86          HB2       LYS  86  -4.673 -11.774   4.503
  553   2HB   LYS  86          HB1       LYS  86  -6.323 -11.181   4.394
  554   1HG   LYS  86          HG2       LYS  86  -6.719 -13.398   4.140
  555   2HG   LYS  86          HG1       LYS  86  -6.453 -12.970   2.450
  556   1HD   LYS  86          HD2       LYS  86  -5.090 -14.809   2.647
  557   2HD   LYS  86          HD1       LYS  86  -3.952 -13.517   3.028
  558   1HE   LYS  86          HE2       LYS  86  -5.450 -15.220   5.016
  559   2HE   LYS  86          HE1       LYS  86  -3.740 -15.356   4.610
  560   1HZ   LYS  86          HZ1       LYS  86  -3.460 -13.058   5.431
  561   2HZ   LYS  86          HZ2       LYS  86  -3.964 -14.135   6.634
  562   3HZ   LYS  86          HZ3       LYS  86  -5.074 -13.063   5.942
  563    H    ASP  87           HN       ASP  87  -4.999 -12.509   0.850
  564    HA   ASP  87           HA       ASP  87  -2.312 -13.297   1.060
  565   1HB   ASP  87          HB2       ASP  87  -4.047 -14.681  -0.002
  566   2HB   ASP  87          HB1       ASP  87  -4.164 -13.521  -1.322
  567    H    TYR  88           HN       TYR  88  -3.884 -10.848  -0.941
  568    HA   TYR  88           HA       TYR  88  -1.550 -10.314  -2.502
  569   1HB   TYR  88          HB2       TYR  88  -4.187  -8.901  -2.165
  570   2HB   TYR  88          HB1       TYR  88  -2.880  -8.197  -3.115
  571    HD1  TYR  88           HD1      TYR  88  -3.301  -8.417  -5.371
  572    HD2  TYR  88           HD2      TYR  88  -4.246 -11.666  -2.793
  573    HE1  TYR  88           HE1      TYR  88  -3.976  -9.758  -7.318
  574    HE2  TYR  88           HE2      TYR  88  -4.925 -13.015  -4.732
  575    HH   TYR  88           HH       TYR  88  -4.215 -12.131  -7.926
  576    H    VAL  89           HN       VAL  89   0.107  -9.045  -2.103
  577    HA   VAL  89           HA       VAL  89  -0.084  -7.057   0.045
  578    HB   VAL  89           HB       VAL  89   0.934  -9.056   1.009
  579   1HG1  VAL  89          HG11      VAL  89   1.814  -9.969  -1.120
  580   2HG1  VAL  89          HG12      VAL  89   2.987  -9.994   0.196
  581   3HG1  VAL  89          HG13      VAL  89   3.101  -8.765  -1.063
  582   1HG2  VAL  89          HG21      VAL  89   2.587  -6.602   0.632
  583   2HG2  VAL  89          HG22      VAL  89   3.282  -7.982   1.480
  584   3HG2  VAL  89          HG23      VAL  89   1.810  -7.226   2.087
  585    H    VAL  90           HN       VAL  90   0.523  -5.125  -0.688
  586    HA   VAL  90           HA       VAL  90   2.133  -4.943  -3.108
  587    HB   VAL  90           HB       VAL  90   0.917  -2.671  -1.518
  588   1HG1  VAL  90          HG11      VAL  90   1.902  -2.792  -4.371
  589   2HG1  VAL  90          HG12      VAL  90   2.766  -2.057  -3.020
  590   3HG1  VAL  90          HG13      VAL  90   1.226  -1.384  -3.549
  591   1HG2  VAL  90          HG21      VAL  90  -0.254  -4.557  -3.471
  592   2HG2  VAL  90          HG22      VAL  90  -0.636  -2.852  -3.704
  593   3HG2  VAL  90          HG23      VAL  90  -1.022  -3.638  -2.179
  594    H    GLN  91           HN       GLN  91   4.243  -4.677  -3.079
  595    HA   GLN  91           HA       GLN  91   5.554  -4.111  -0.560
  596   1HB   GLN  91          HB2       GLN  91   6.379  -5.965  -1.930
  597   2HB   GLN  91          HB1       GLN  91   6.697  -4.857  -3.256
  598   1HG   GLN  91          HG2       GLN  91   7.978  -4.262  -0.658
  599   2HG   GLN  91          HG1       GLN  91   8.578  -5.653  -1.560
  600   1HE2  GLN  91          HE21      GLN  91  10.561  -4.660  -1.923
  601   2HE2  GLN  91          HE22      GLN  91  10.751  -3.370  -3.056
  602    H    VAL  92           HN       VAL  92   6.392  -2.218  -0.013
  603    HA   VAL  92           HA       VAL  92   6.484  -0.109  -2.057
  604    HB   VAL  92           HB       VAL  92   6.317   1.501  -0.259
  605   1HG1  VAL  92          HG11      VAL  92   4.193  -0.108   0.821
  606   2HG1  VAL  92          HG12      VAL  92   4.310  -0.352  -0.925
  607   3HG1  VAL  92          HG13      VAL  92   4.104   1.274  -0.276
  608   1HG2  VAL  92          HG21      VAL  92   6.302  -0.845   1.616
  609   2HG2  VAL  92          HG22      VAL  92   6.134   0.853   2.063
  610   3HG2  VAL  92          HG23      VAL  92   7.652   0.264   1.389
  611    H    ILE  93           HN       ILE  93   8.218   1.593  -1.606
  612    HA   ILE  93           HA       ILE  93  10.674   0.322  -0.618
  613    HB   ILE  93           HB       ILE  93  10.854   2.289  -2.846
  614   1HG1  ILE  93          HG12      ILE  93  10.326  -0.668  -3.229
  615   2HG1  ILE  93          HG11      ILE  93   9.206   0.629  -3.636
  616   1HG2  ILE  93          HG21      ILE  93  12.876   1.006  -3.359
  617   2HG2  ILE  93          HG22      ILE  93  12.499  -0.099  -2.038
  618   3HG2  ILE  93          HG23      ILE  93  12.869   1.591  -1.695
  619   1HD1  ILE  93          HD11      ILE  93  11.910   0.199  -4.882
  620   2HD1  ILE  93          HD12      ILE  93  10.753   1.459  -5.311
  621   3HD1  ILE  93          HD13      ILE  93  10.360  -0.236  -5.601
  622    H    VAL  94           HN       VAL  94  11.518   1.388   0.949
  623    HA   VAL  94           HA       VAL  94  11.460   4.308   1.037
  624    HB   VAL  94           HB       VAL  94   9.682   4.038   2.497
  625   1HG1  VAL  94          HG11      VAL  94   9.440   2.193   4.096
  626   2HG1  VAL  94          HG12      VAL  94  10.983   1.529   3.560
  627   3HG1  VAL  94          HG13      VAL  94   9.620   1.603   2.444
  628   1HG2  VAL  94          HG21      VAL  94  11.972   3.638   4.418
  629   2HG2  VAL  94          HG22      VAL  94  10.439   4.455   4.723
  630   3HG2  VAL  94          HG23      VAL  94  11.616   5.170   3.622
  631    H    SER  95           HN       SER  95  13.585   4.709   0.904
  632    HA   SER  95           HA       SER  95  15.473   3.040   2.381
  633   1HB   SER  95          HB2       SER  95  15.956   5.246   0.364
  634   2HB   SER  95          HB1       SER  95  17.209   4.245   1.099
  635    HG   SER  95           HG       SER  95  15.751   3.720  -1.047
  636    H    GLN  96           HN       GLN  96  13.658   5.007   3.690
  637    HA   GLN  96           HA       GLN  96  15.743   6.558   5.065
  638   1HB   GLN  96          HB2       GLN  96  12.985   7.505   4.275
  639   2HB   GLN  96          HB1       GLN  96  14.031   8.363   5.398
  640   1HG   GLN  96          HG2       GLN  96  14.739   7.735   2.542
  641   2HG   GLN  96          HG1       GLN  96  14.072   9.268   3.100
  642   1HE2  GLN  96          HE21      GLN  96  16.851   7.189   3.066
  643   2HE2  GLN  96          HE22      GLN  96  17.984   8.351   3.656
  644    HA   PRO  97           HA       PRO  97  13.510   3.905   8.120
  645   1HB   PRO  97          HB2       PRO  97  15.693   3.583   9.727
  646   2HB   PRO  97          HB1       PRO  97  15.336   2.539   8.347
  647   1HG   PRO  97          HG2       PRO  97  17.225   4.853   8.534
  648   2HG   PRO  97          HG1       PRO  97  17.457   3.278   7.751
  649   1HD   PRO  97          HD2       PRO  97  16.842   5.498   6.349
  650   2HD   PRO  97          HD1       PRO  97  16.254   3.891   5.876
  651    H    VAL  98           HN       VAL  98  15.829   6.527   8.721
  652    HA   VAL  98           HA       VAL  98  13.936   7.757  10.555
  653    HB   VAL  98           HB       VAL  98  15.629   8.103  12.310
  654   1HG1  VAL  98          HG11      VAL  98  14.041   6.273  12.529
  655   2HG1  VAL  98          HG12      VAL  98  15.601   5.824  13.218
  656   3HG1  VAL  98          HG13      VAL  98  15.125   5.206  11.636
  657   1HG2  VAL  98          HG21      VAL  98  17.638   7.899  10.950
  658   2HG2  VAL  98          HG22      VAL  98  17.300   6.188  10.683
  659   3HG2  VAL  98          HG23      VAL  98  17.688   6.768  12.303
  660    H    GLN  99           HN       GLN  99  15.179   8.309   7.898
  661    HA   GLN  99           HA       GLN  99  15.948  10.095   6.721
  662   1HB   GLN  99          HB2       GLN  99  15.349  11.578   9.286
  663   2HB   GLN  99          HB1       GLN  99  15.677  12.333   7.733
  664   1HG   GLN  99          HG2       GLN  99  13.687  11.274   6.795
  665   2HG   GLN  99          HG1       GLN  99  13.358  10.518   8.353
  666   1HE2  GLN  99          HE21      GLN  99  12.627  11.781  10.063
  667   2HE2  GLN  99          HE22      GLN  99  11.987  13.368   9.825
  668    H    ASN 100           HN       ASN 100  17.784  11.491   6.425
  669    HA   ASN 100           HA       ASN 100  20.003  11.970   6.554
  670   1HB   ASN 100          HB2       ASN 100  19.516  11.676   9.526
  671   2HB   ASN 100          HB1       ASN 100  20.941  12.409   8.796
  672   1HD2  ASN 100          HD21      ASN 100  20.766  14.415   7.798
  673   2HD2  ASN 100          HD22      ASN 100  19.417  15.459   8.072