*HEADER    SIGNALING PROTEIN                       26-JUL-13   2MB9              
*TITLE     HUMAN BCL10 CARD                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: B-CELL LYMPHOMA/LEUKEMIA 10;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CARD DOMAIN RESIDUES 1-115;                                
*COMPND   5 SYNONYM: B-CELL CLL/LYMPHOMA 10, BCL-10, CARD-CONTAINING MOLECULE    
*COMPND   6 ENHANCING NF-KAPPA-B, CARD-LIKE APOPTOTIC PROTEIN, HCLAP, CED-3/ICH-1
*COMPND   7 PRODOMAIN HOMOLOGOUS E10-LIKE REGULATOR, CIPER, CELLULAR HOMOLOG OF  
*COMPND   8 VCARMEN, CCARMEN, CELLULAR-E10, C-E10, MAMMALIAN CARD-CONTAINING     
*COMPND   9 ADAPTER MOLECULE E10, ME10;                                          
*COMPND  10 ENGINEERED: YES;                                                     
*COMPND  11 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: BCL10, CIPER, CLAP;                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    DEATH DOMAIN, APOPTOSIS, SIGNALING PROTEIN                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    C.ZHENG, C.BRACKEN, H.WU                                              
*REVDAT   1   16-OCT-13 2MB9    0                                                


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 assign  (resid 79   and name C   ) (resid 80   and name N   )
         (resid 80   and name CA  ) (resid 80   and name C   )  1.00 -55.88 24.12 2

 assign  (resid 80   and name N   ) (resid 80   and name CA  )
         (resid 80   and name C   ) (resid 81   and name N   )  1.00 -43.73 26.27 2

 assign  (resid 80   and name C   ) (resid 81   and name N   )
         (resid 81   and name CA  ) (resid 81   and name C   )  1.00 -64.99 25.01 2

 assign  (resid 81   and name N   ) (resid 81   and name CA  )
         (resid 81   and name C   ) (resid 82   and name N   )  1.00 -44.98 15.02 2

 assign  (resid 81   and name C   ) (resid 82   and name N   )
         (resid 82   and name CA  ) (resid 82   and name C   )  1.00 -62.27 27.73 2

 assign  (resid 82   and name N   ) (resid 82   and name CA  )
         (resid 82   and name C   ) (resid 83   and name N   )  1.00 -44.47 25.53 2

 assign  (resid 82   and name C   ) (resid 83   and name N   )
         (resid 83   and name CA  ) (resid 83   and name C   )  1.00 -64.47 15.53 2

 assign  (resid 83   and name N   ) (resid 83   and name CA  )
         (resid 83   and name C   ) (resid 84   and name N   )  1.00 -44.65 25.35 2

 assign  (resid 83   and name C   ) (resid 84   and name N   )
         (resid 84   and name CA  ) (resid 84   and name C   )  1.00 -63.04 26.96 2

 assign  (resid 84   and name N   ) (resid 84   and name CA  )
         (resid 84   and name C   ) (resid 85   and name N   )  1.00 -37.97 32.03 2

 assign  (resid 84   and name C   ) (resid 85   and name N   )
         (resid 85   and name CA  ) (resid 85   and name C   )  1.00 -64.82 25.18 2

 assign  (resid 85   and name N   ) (resid 85   and name CA  )
         (resid 85   and name C   ) (resid 86   and name N   )  1.00 -44.89 25.11 2

 assign  (resid 85   and name C   ) (resid 86   and name N   )
         (resid 86   and name CA  ) (resid 86   and name C   )  1.00 -64.97 15.03 2

 assign  (resid 86   and name N   ) (resid 86   and name CA  )
         (resid 86   and name C   ) (resid 87   and name N   )  1.00 -44.93 25.07 2

 assign  (resid 86   and name C   ) (resid 87   and name N   )
         (resid 87   and name CA  ) (resid 87   and name C   )  1.00 -64.80 25.20 2

 assign  (resid 87   and name N   ) (resid 87   and name CA  )
         (resid 87   and name C   ) (resid 88   and name N   )  1.00 -38.27 31.73 2

 assign  (resid 87   and name C   ) (resid 88   and name N   )
         (resid 88   and name CA  ) (resid 88   and name C   )  1.00 -64.34 25.66 2

 assign  (resid 88   and name N   ) (resid 88   and name CA  )
         (resid 88   and name C   ) (resid 89   and name N   )  1.00 -39.43 30.57 2

 assign  (resid 88   and name C   ) (resid 89   and name N   )
         (resid 89   and name CA  ) (resid 89   and name C   )  1.00 -63.63 26.37 2

 assign  (resid 89   and name N   ) (resid 89   and name CA  )
         (resid 89   and name C   ) (resid 90   and name N   )  1.00 -44.63 25.37 2

 assign  (resid 89   and name C   ) (resid 90   and name N   )
         (resid 90   and name CA  ) (resid 90   and name C   )  1.00 -61.35 28.65 2

 assign  (resid 90   and name N   ) (resid 90   and name CA  )
         (resid 90   and name C   ) (resid 91   and name N   )  1.00 -28.34 31.66 2

 assign  (resid 90   and name C   ) (resid 91   and name N   )
         (resid 91   and name CA  ) (resid 91   and name C   )  1.00 -74.56 35.44 2

 assign  (resid 91   and name N   ) (resid 91   and name CA  )
         (resid 91   and name C   ) (resid 92   and name N   )  1.00 -24.57 25.43 2

 assign  (resid 92   and name C   ) (resid 93   and name N   )
         (resid 93   and name CA  ) (resid 93   and name C   )  1.00 -55.63 24.37 2

 assign  (resid 93   and name N   ) (resid 93   and name CA  )
         (resid 93   and name C   ) (resid 94   and name N   )  1.00 -34.40 25.60 2

 assign  (resid 93   and name C   ) (resid 94   and name N   )
         (resid 94   and name CA  ) (resid 94   and name C   )  1.00 -63.54 26.46 2

 assign  (resid 94   and name N   ) (resid 94   and name CA  )
         (resid 94   and name C   ) (resid 95   and name N   )  1.00 -41.69 28.31 2

 assign  (resid 94   and name C   ) (resid 95   and name N   )
         (resid 95   and name CA  ) (resid 95   and name C   )  1.00 -64.76 25.24 2

 assign  (resid 95   and name N   ) (resid 95   and name CA  )
         (resid 95   and name C   ) (resid 96   and name N   )  1.00 -41.87 18.13 2

 assign  (resid 95   and name C   ) (resid 96   and name N   )
         (resid 96   and name CA  ) (resid 96   and name C   )  1.00 -64.87 15.13 2

 assign  (resid 96   and name N   ) (resid 96   and name CA  )
         (resid 96   and name C   ) (resid 97   and name N   )  1.00 -44.59 15.41 2

 assign  (resid 96   and name C   ) (resid 97   and name N   )
         (resid 97   and name CA  ) (resid 97   and name C   )  1.00 -62.81 27.19 2

 assign  (resid 97   and name N   ) (resid 97   and name CA  )
         (resid 97   and name C   ) (resid 98   and name N   )  1.00 -44.00 26.00 2

 assign  (resid 97   and name C   ) (resid 98   and name N   )
         (resid 98   and name CA  ) (resid 98   and name C   )  1.00 -59.38 20.62 2

 assign  (resid 98   and name N   ) (resid 98   and name CA  )
         (resid 98   and name C   ) (resid 99   and name N   )  1.00 -41.96 28.04 2

 assign  (resid 98   and name C   ) (resid 99   and name N   )
         (resid 99   and name CA  ) (resid 99   and name C   )  1.00 -64.93 25.07 2

 assign  (resid 99   and name N   ) (resid 99   and name CA  )
         (resid 99   and name C   ) (resid 100  and name N   )  1.00 -44.78 25.22 2

 assign  (resid 99   and name C   ) (resid 100  and name N   )
         (resid 100  and name CA  ) (resid 100  and name C   )  1.00 -64.41 15.59 2

 assign  (resid 100  and name N   ) (resid 100  and name CA  )
         (resid 100  and name C   ) (resid 101  and name N   )  1.00 -43.58 26.42 2

 assign  (resid 100  and name C   ) (resid 101  and name N   )
         (resid 101  and name CA  ) (resid 101  and name C   )  1.00 -64.52 25.48 2

 assign  (resid 101  and name N   ) (resid 101  and name CA  )
         (resid 101  and name C   ) (resid 102  and name N   )  1.00 -37.47 22.53 2

 assign  (resid 101  and name C   ) (resid 102  and name N   )
         (resid 102  and name CA  ) (resid 102  and name C   )  1.00 -65.01 24.99 2

 assign  (resid 102  and name N   ) (resid 102  and name CA  )
         (resid 102  and name C   ) (resid 103  and name N   )  1.00 -43.58 26.42 2

 assign  (resid 102  and name C   ) (resid 103  and name N   )
         (resid 103  and name CA  ) (resid 103  and name C   )  1.00 -64.70 25.30 2

 assign  (resid 103  and name N   ) (resid 103  and name CA  )
         (resid 103  and name C   ) (resid 104  and name N   )  1.00 -43.53 26.47 2

 assign  (resid 103  and name C   ) (resid 104  and name N   )
         (resid 104  and name CA  ) (resid 104  and name C   )  1.00 -59.37 20.63 2

 assign  (resid 104  and name N   ) (resid 104  and name CA  )
         (resid 104  and name C   ) (resid 105  and name N   )  1.00 -43.67 26.33 2

 assign  (resid 104  and name C   ) (resid 105  and name N   )
         (resid 105  and name CA  ) (resid 105  and name C   )  1.00 -63.89 16.11 2

 assign  (resid 105  and name N   ) (resid 105  and name CA  )
         (resid 105  and name C   ) (resid 106  and name N   )  1.00 -44.79 25.21 2

 assign  (resid 105  and name C   ) (resid 106  and name N   )
         (resid 106  and name CA  ) (resid 106  and name C   )  1.00 -62.12 27.88 2

 assign  (resid 106  and name N   ) (resid 106  and name CA  )
         (resid 106  and name C   ) (resid 107  and name N   )  1.00 -40.91 29.09 2

 assign  (resid 106  and name C   ) (resid 107  and name N   )
         (resid 107  and name CA  ) (resid 107  and name C   )  1.00 -64.71 25.29 2

 assign  (resid 107  and name N   ) (resid 107  and name CA  )
         (resid 107  and name C   ) (resid 108  and name N   )  1.00 -44.69 25.31 2

 assign  (resid 107  and name C   ) (resid 108  and name N   )
         (resid 108  and name CA  ) (resid 108  and name C   )  1.00 -63.12 26.88 2

 assign  (resid 108  and name N   ) (resid 108  and name CA  )
         (resid 108  and name C   ) (resid 109  and name N   )  1.00 -38.92 31.08 2

 assign  (resid 108  and name C   ) (resid 109  and name N   )
         (resid 109  and name CA  ) (resid 109  and name C   )  1.00 -64.94 25.06 2

 assign  (resid 109  and name N   ) (resid 109  and name CA  )
         (resid 109  and name C   ) (resid 110  and name N   )  1.00 -44.89 15.11 2

 assign  (resid 109  and name C   ) (resid 110  and name N   )
         (resid 110  and name CA  ) (resid 110  and name C   )  1.00 -63.25 26.75 2

 assign  (resid 110  and name N   ) (resid 110  and name CA  )
         (resid 110  and name C   ) (resid 111  and name N   )  1.00 -36.44 33.56 2

 assign  (resid 110  and name C   ) (resid 111  and name N   )
         (resid 111  and name CA  ) (resid 111  and name C   )  1.00 -61.29 28.71 2

 assign  (resid 111  and name N   ) (resid 111  and name CA  )
         (resid 111  and name C   ) (resid 112  and name N   )  1.00 -42.84 27.16 2

 assign  (resid 111  and name C   ) (resid 112  and name N   )
         (resid 112  and name CA  ) (resid 112  and name C   )  1.00 -65.06 24.94 2

 assign  (resid 112  and name N   ) (resid 112  and name CA  )
         (resid 112  and name C   ) (resid 113  and name N   )  1.00 -25.01 34.99 2

 assign  (resid 112  and name C   ) (resid 113  and name N   )
         (resid 113  and name CA  ) (resid 113  and name C   )  1.00 -75.00 25.00 2

 assign  (resid 113  and name N   ) (resid 113  and name CA  )
         (resid 113  and name C   ) (resid 114  and name N   )  1.00 -34.92 15.08 2

assign ( resid 57 and name H
  )
       ( resid 56 and name H
  ) 4.5 2.7 0.0 volume=0.859 peak=1295 ppm1=7.479 ppm2=8.217

assign ( resid 32 and name H
  )
       ( resid 32 and name HG12
  ) 4.5 2.7 0.0 volume=0.870 peak=991 ppm1=8.258 ppm2=1.374

assign ( resid 56 and name H
  )
       ( resid 55 and name HG13
  ) 4.5 2.7 0.0 volume=0.709 peak=1100 ppm1=8.238 ppm2=1.212

assign ( resid 95 and name HA
  )
       ( resid 95 and name HB3
  ) 4.5 2.8 0.0 volume=0.583 peak=227 ppm1=3.993 ppm2=0.907

assign ( resid 73 and name H
  )
       ( resid 73 and name HG2
  ) 2.8 1.0 0.0 volume=1.928 peak=1096 ppm1=8.164 ppm2=2.331

assign ( resid 27 and name H
  )
       ( resid 23 and name HB2
  ) 4.5 2.7 0.0 volume=0.678 peak=952 ppm1=7.916 ppm2=2.968

assign ( resid 97 and name HE22
  )
       ( resid 97 and name HE21
  ) 2.0 0.3 0.0 volume=1.581 peak=12 ppm1=7.656 ppm2=6.801

assign ( resid 42 and name H
  )
       ( resid 45 and name HG2
  ) 4.5 2.7 0.0 volume=0.720 peak=1013 ppm1=8.855 ppm2=1.320

assign ( resid 52 and name HG2#
  )
       ( resid 47 and name HB2
  ) 5.5 3.8 0.0 volume=0.441 peak=161 ppm1=0.414 ppm2=1.024

assign ( resid 16 and name HA
  )
       ( resid 16 and name HB
  ) 5.5 3.8 0.0 volume=0.430 peak=346 ppm1=3.860 ppm2=2.364

assign ( resid 81 and name HG2#
  )
       ( resid 46 and name HG13
  ) 3.5 1.8 0.0 volume=1.093 peak=538 ppm1=1.301 ppm2=1.496

assign ( resid 32 and name HG2#
  )
       ( resid 34 and name HA
  ) 5.5 3.8 0.0 volume=0.352 peak=475 ppm1=0.648 ppm2=3.537

assign ( resid 86 and name HD1#
  )
       ( resid 86 and name HG2#
  ) 2.8 1.1 0.0 volume=2.487 peak=436 ppm1=0.454 ppm2=0.794

assign ( resid 32 and name HB
  )
       ( resid 32 and name HG2#
  ) 3.5 1.8 0.0 volume=0.710 peak=360 ppm1=1.769 ppm2=0.638

assign ( resid 93 and name H
  )
       ( resid 92 and name H
  ) 5.5 3.7 0.0 volume=0.400 peak=1055 ppm1=8.260 ppm2=9.310

assign ( resid 111 and name H
  )
       ( resid 112 and name H
  ) 2.8 1.0 0.0 volume=3.235 peak=766 ppm1=8.105 ppm2=7.811

assign ( resid 31 and name HB2
  )
       ( resid 31 and name HD2
  ) 3.5 1.8 0.0 volume=0.718 peak=604 ppm1=1.758 ppm2=1.532

assign ( resid 74 and name HA
  )
       ( resid 74 and name HB2
  ) 4.5 2.8 0.0 volume=0.582 peak=474 ppm1=4.324 ppm2=2.319

assign ( resid 82 and name HD2#
  )
       ( resid 46 and name HG13
  ) 3.5 1.8 0.0 volume=0.619 peak=313 ppm1=0.427 ppm2=1.516

assign ( resid 93 and name HD21
  )
       ( resid 93 and name HD22
  ) 2.0 0.3 0.0 volume=3.001 peak=19 ppm1=6.817 ppm2=7.556

assign ( resid 97 and name H
  )
       ( resid 98 and name HB2
  ) 3.5 1.7 0.0 volume=1.295 peak=1152 ppm1=7.734 ppm2=1.971

assign ( resid 17 and name H
  )
       ( resid 17 and name HA
  ) 4.5 2.7 0.0 volume=0.817 peak=1245 ppm1=8.103 ppm2=3.787

assign ( resid 72 and name H
  )
       ( resid 71 and name HB2
  ) 4.5 2.7 0.0 volume=0.775 peak=678 ppm1=8.321 ppm2=2.996

assign ( resid 52 and name H
  )
       ( resid 52 and name HG2#
  ) 3.5 1.7 0.0 volume=1.221 peak=1077 ppm1=7.649 ppm2=0.418

assign ( resid 63 and name H
  )
       ( resid 63 and name HA
  ) 5.5 3.7 0.0 volume=0.509 peak=1109 ppm1=7.728 ppm2=4.255

assign ( resid 21 and name HA
  )
       ( resid 24 and name HB2
  ) 4.5 2.8 0.0 volume=0.531 peak=212 ppm1=3.809 ppm2=1.774

assign ( resid 27 and name H
  )
       ( resid 27 and name HB2
  ) 3.5 1.7 0.0 volume=1.472 peak=1178 ppm1=7.916 ppm2=2.913

assign ( resid 102 and name HA
  )
       ( resid 102 and name HG3
  ) 3.5 1.8 0.0 volume=0.998 peak=341 ppm1=4.100 ppm2=2.437

assign ( resid 88 and name HG2
  )
       ( resid 88 and name HA
  ) 5.5 3.8 0.0 volume=0.419 peak=453 ppm1=1.711 ppm2=4.025

assign ( resid 25 and name H
  )
       ( resid 21 and name HB3
  ) 5.5 3.7 0.0 volume=0.457 peak=1284 ppm1=7.576 ppm2=1.446

assign ( resid 86 and name HA
  )
       ( resid 86 and name HG12
  ) 5.5 3.8 0.0 volume=0.449 peak=220 ppm1=3.723 ppm2=1.635

assign ( resid 56 and name HB3
  )
       ( resid 56 and name HA
  ) 4.5 2.8 0.0 volume=0.502 peak=383 ppm1=3.941 ppm2=4.142

assign ( resid 104 and name H
  )
       ( resid 100 and name HA
  ) 5.5 3.7 0.0 volume=0.523 peak=1028 ppm1=8.127 ppm2=3.761

assign ( resid 70 and name H
  )
       ( resid 69 and name H
  ) 3.5 1.7 0.0 volume=1.160 peak=1220 ppm1=7.896 ppm2=8.370

assign ( resid 50 and name HG3
  )
       ( resid 50 and name HG2
  ) 2.8 1.1 0.0 volume=5.927 peak=646 ppm1=2.233 ppm2=2.390

assign ( resid 112 and name HG3
  )
       ( resid 112 and name HA
  ) 5.5 3.8 0.0 volume=0.428 peak=408 ppm1=2.206 ppm2=4.061

assign ( resid 27 and name HE#
  )
       ( resid 28 and name HD1#
  ) 4.5 2.7 0.0 volume=0.597 peak=55 ppm1=6.723 ppm2=0.996

assign ( resid 113 and name HB3
  )
       ( resid 113 and name HB2
  ) 2.8 1.1 0.0 volume=1.599 peak=126 ppm1=3.188 ppm2=3.394

assign ( resid 105 and name HG2
  )
       ( resid 105 and name HD2
  ) 2.8 1.1 0.0 volume=1.564 peak=87 ppm1=1.176 ppm2=1.598

assign ( resid 32 and name HG2#
  )
       ( resid 32 and name HA
  ) 5.5 3.8 0.0 volume=0.412 peak=78 ppm1=0.647 ppm2=4.055

assign ( resid 20 and name HA
  )
       ( resid 106 and name HD2#
  ) 3.5 1.8 0.0 volume=0.930 peak=293 ppm1=3.932 ppm2=0.959

assign ( resid 34 and name HB#
  )
       ( resid 68 and name HB2
  ) 3.5 1.8 0.0 volume=0.877 peak=519 ppm1=1.204 ppm2=1.898

assign ( resid 38 and name H
  )
       ( resid 38 and name HB2
  ) 2.8 1.0 0.0 volume=1.817 peak=700 ppm1=6.986 ppm2=3.281

assign ( resid 33 and name HD1#
  )
       ( resid 33 and name HG13
  ) 3.5 1.8 0.0 volume=1.086 peak=336 ppm1=0.775 ppm2=1.459

assign ( resid 114 and name HB2
  )
       ( resid 114 and name HA
  ) 5.5 3.8 0.0 volume=0.349 peak=448 ppm1=1.631 ppm2=4.338

assign ( resid 108 and name H
  )
       ( resid 107 and name HA
  ) 5.5 3.7 0.0 volume=0.591 peak=1252 ppm1=8.147 ppm2=3.846

assign ( resid 50 and name HB2
  )
       ( resid 50 and name HG2
  ) 4.5 2.8 0.0 volume=0.544 peak=497 ppm1=1.933 ppm2=2.411

assign ( resid 103 and name H
  )
       ( resid 103 and name HA
  ) 4.5 2.7 0.0 volume=0.761 peak=830 ppm1=8.034 ppm2=3.269

assign ( resid 80 and name HA
  )
       ( resid 80 and name HB2
  ) 3.5 1.8 0.0 volume=0.982 peak=324 ppm1=4.154 ppm2=2.433

assign ( resid 100 and name HG2#
  )
       ( resid 100 and name HB
  ) 3.5 1.8 0.0 volume=1.213 peak=406 ppm1=1.238 ppm2=4.265

assign ( resid 92 and name H
  )
       ( resid 91 and name H
  ) 4.5 2.7 0.0 volume=0.795 peak=1141 ppm1=9.323 ppm2=8.457

assign ( resid 55 and name HA
  )
       ( resid 55 and name HG13
  ) 5.5 3.8 0.0 volume=0.331 peak=353 ppm1=3.545 ppm2=1.215

assign ( resid 43 and name HB#
  )
       ( resid 41 and name HD1#
  ) 5.5 3.8 0.0 volume=0.402 peak=607 ppm1=1.501 ppm2=1.066

assign ( resid 71 and name HE#
  )
       ( resid 68 and name HB2
  ) 4.5 2.7 0.0 volume=0.671 peak=45 ppm1=6.697 ppm2=1.884

assign ( resid 86 and name H
  )
       ( resid 86 and name HG2#
  ) 4.5 2.7 0.0 volume=0.735 peak=857 ppm1=8.698 ppm2=0.805

assign ( resid 32 and name HG12
  )
       ( resid 69 and name HD2#
  ) 4.5 2.8 0.0 volume=0.533 peak=593 ppm1=1.408 ppm2=0.818

assign ( resid 81 and name H
  )
       ( resid 80 and name HA
  ) 4.5 2.7 0.0 volume=0.714 peak=782 ppm1=8.149 ppm2=4.168

assign ( resid 27 and name HD#
  )
       ( resid 28 and name HB3
  ) 4.5 2.7 0.0 volume=0.513 peak=47 ppm1=7.006 ppm2=2.001

assign ( resid 72 and name HD2#
  )
       ( resid 72 and name HB2
  ) 3.5 1.8 0.0 volume=1.001 peak=556 ppm1=0.785 ppm2=2.107

assign ( resid 108 and name H
  )
       ( resid 108 and name HB2
  ) 2.8 1.0 0.0 volume=1.907 peak=878 ppm1=8.144 ppm2=2.888

assign ( resid 72 and name HG
  )
       ( resid 72 and name HD2#
  ) 3.5 1.8 0.0 volume=1.247 peak=301 ppm1=1.005 ppm2=0.801

assign ( resid 27 and name HD#
  )
       ( resid 28 and name HD2#
  ) 3.5 1.7 0.0 volume=1.944 peak=38 ppm1=7.013 ppm2=0.800

assign ( resid 98 and name HB3
  )
       ( resid 98 and name HB2
  ) 2.8 1.1 0.0 volume=2.709 peak=181 ppm1=1.796 ppm2=1.962

assign ( resid 108 and name H
  )
       ( resid 108 and name HA
  ) 3.5 1.7 0.0 volume=1.353 peak=1004 ppm1=8.140 ppm2=4.530

assign ( resid 63 and name HE2
  )
       ( resid 63 and name HD2
  ) 2.8 1.1 0.0 volume=1.425 peak=463 ppm1=2.886 ppm2=1.519

assign ( resid 98 and name HA
  )
       ( resid 101 and name HB2
  ) 5.5 3.8 0.0 volume=0.389 peak=280 ppm1=4.103 ppm2=2.889

assign ( resid 15 and name H
  )
       ( resid 14 and name HG2#
  ) 5.5 3.7 0.0 volume=0.495 peak=874 ppm1=7.855 ppm2=1.306

assign ( resid 54 and name HA
  )
       ( resid 54 and name HG3
  ) 2.8 1.1 0.0 volume=2.054 peak=438 ppm1=4.095 ppm2=2.275

assign ( resid 96 and name HG12
  )
       ( resid 96 and name HD1#
  ) 3.5 1.8 0.0 volume=0.888 peak=259 ppm1=1.786 ppm2=0.880

assign ( resid 76 and name HB3
  )
       ( resid 76 and name HB2
  ) 2.8 1.1 0.0 volume=1.430 peak=636 ppm1=1.999 ppm2=2.490

assign ( resid 95 and name HD2#
  )
       ( resid 86 and name HD1#
  ) 4.5 2.8 0.0 volume=0.485 peak=469 ppm1=0.757 ppm2=0.472

assign ( resid 47 and name HB2
  )
       ( resid 47 and name HB3
  ) 3.5 1.8 0.0 volume=0.606 peak=426 ppm1=1.032 ppm2=1.268

assign ( resid 115 and name H
  )
       ( resid 114 and name H
  ) 2.8 1.0 0.0 volume=2.086 peak=680 ppm1=7.589 ppm2=7.724

assign ( resid 68 and name H
  )
       ( resid 55 and name HB
  ) 4.5 2.7 0.0 volume=0.699 peak=1138 ppm1=8.093 ppm2=2.114

assign ( resid 78 and name H
  )
       ( resid 78 and name HA3
  ) 3.5 1.7 0.0 volume=1.090 peak=1240 ppm1=8.875 ppm2=3.430

assign ( resid 64 and name HA
  )
       ( resid 64 and name HG3
  ) 5.5 3.8 0.0 volume=0.313 peak=398 ppm1=4.131 ppm2=1.159

assign ( resid 45 and name H
  )
       ( resid 45 and name HB2
  or resid 45 and name HB3
  ) 5.5 3.7 0.0 volume=0.523 peak=1130 ppm1=7.820 ppm2=2.012

assign ( resid 44 and name HB2
  )
       ( resid 46 and name HG12
  ) 5.5 3.8 0.0 volume=0.367 peak=152 ppm1=2.033 ppm2=1.274

assign ( resid 67 and name H
  )
       ( resid 66 and name H
  ) 3.5 1.7 0.0 volume=1.222 peak=1117 ppm1=7.706 ppm2=8.351

assign ( resid 66 and name HA3
  )
       ( resid 66 and name HA2
  ) 3.5 1.8 0.0 volume=1.148 peak=611 ppm1=3.831 ppm2=3.585

assign ( resid 27 and name HB2
  )
       ( resid 27 and name HA
  ) 5.5 3.8 0.0 volume=0.322 peak=267 ppm1=2.886 ppm2=4.214

assign ( resid 50 and name H
  )
       ( resid 50 and name HB2
  ) 3.5 1.7 0.0 volume=1.368 peak=1066 ppm1=8.635 ppm2=1.967

assign ( resid 41 and name H
  )
       ( resid 41 and name HB3
  ) 4.5 2.7 0.0 volume=0.783 peak=780 ppm1=7.946 ppm2=1.239

assign ( resid 88 and name H
  )
       ( resid 87 and name HB2
  ) 2.8 1.0 0.0 volume=3.090 peak=707 ppm1=7.772 ppm2=1.915

assign ( resid 73 and name HE22
  )
       ( resid 18 and name HA
  ) 3.5 1.8 0.0 volume=0.238 peak=22 ppm1=7.220 ppm2=4.143

assign ( resid 82 and name H
  )
       ( resid 83 and name HG2#
  ) 5.5 3.7 0.0 volume=0.478 peak=686 ppm1=8.367 ppm2=0.883

assign ( resid 13 and name HA
  )
       ( resid 13 and name HD1#
  ) 3.5 1.8 0.0 volume=1.067 peak=254 ppm1=4.160 ppm2=0.850

assign ( resid 46 and name HB
  )
       ( resid 46 and name HG12
  ) 5.5 3.8 0.0 volume=0.352 peak=74 ppm1=1.944 ppm2=1.258

assign ( resid 108 and name H
  )
       ( resid 107 and name HB3
  ) 3.5 1.7 0.0 volume=1.035 peak=1223 ppm1=8.146 ppm2=2.083

assign ( resid 20 and name H
  )
       ( resid 20 and name HA
  ) 4.5 2.7 0.0 volume=0.613 peak=883 ppm1=8.737 ppm2=3.945

assign ( resid 71 and name HB2
  )
       ( resid 71 and name HA
  ) 5.5 3.8 0.0 volume=0.421 peak=414 ppm1=2.968 ppm2=4.229

assign ( resid 66 and name H
  )
       ( resid 66 and name HA2
  ) 3.5 1.7 0.0 volume=1.212 peak=879 ppm1=8.326 ppm2=3.572

assign ( resid 42 and name HD2
  )
       ( resid 41 and name HB3
  ) 5.5 3.8 0.0 volume=0.429 peak=194 ppm1=2.925 ppm2=1.276

assign ( resid 79 and name H
  )
       ( resid 79 and name HA
  ) 4.5 2.7 0.0 volume=0.607 peak=675 ppm1=9.239 ppm2=3.866

assign ( resid 63 and name H
  )
       ( resid 64 and name H
  ) 3.5 1.7 0.0 volume=1.087 peak=981 ppm1=7.729 ppm2=8.610

assign ( resid 27 and name HE#
  )
       ( resid 102 and name HG3
  ) 4.5 2.7 0.0 volume=0.490 peak=58 ppm1=6.698 ppm2=2.448

assign ( resid 68 and name HG
  )
       ( resid 68 and name HA
  ) 3.5 1.8 0.0 volume=0.723 peak=393 ppm1=1.042 ppm2=4.219

assign ( resid 16 and name HG2#
  )
       ( resid 14 and name HG2#
  ) 3.5 1.8 0.0 volume=0.719 peak=94 ppm1=1.004 ppm2=1.310

assign ( resid 70 and name H
  )
       ( resid 67 and name HA
  ) 4.5 2.7 0.0 volume=0.679 peak=1112 ppm1=7.894 ppm2=4.403

assign ( resid 20 and name H
  )
       ( resid 106 and name HD1#
  ) 4.5 2.7 0.0 volume=0.672 peak=917 ppm1=8.723 ppm2=0.864

assign ( resid 20 and name HB#
  )
       ( resid 103 and name HG2#
  ) 2.8 1.1 0.0 volume=2.161 peak=653 ppm1=1.328 ppm2=0.957

assign ( resid 99 and name H
  )
       ( resid 99 and name HG13
  ) 3.5 1.7 0.0 volume=1.225 peak=843 ppm1=8.001 ppm2=1.912

assign ( resid 108 and name H
  )
       ( resid 105 and name HA
  ) 5.5 3.7 0.0 volume=0.407 peak=729 ppm1=8.151 ppm2=4.015

assign ( resid 47 and name H
  )
       ( resid 48 and name HA
  ) 4.5 2.7 0.0 volume=0.625 peak=960 ppm1=6.503 ppm2=4.617

assign ( resid 101 and name H
  )
       ( resid 100 and name HB
  ) 4.5 2.7 0.0 volume=0.807 peak=726 ppm1=8.638 ppm2=4.311

assign ( resid 106 and name HD1#
  )
       ( resid 19 and name HB3
  ) 5.5 3.8 0.0 volume=0.330 peak=125 ppm1=0.860 ppm2=2.855

assign ( resid 96 and name H
  )
       ( resid 96 and name HD1#
  ) 3.5 1.7 0.0 volume=1.616 peak=771 ppm1=7.473 ppm2=0.865

assign ( resid 74 and name HG3
  )
       ( resid 74 and name HG2
  ) 2.8 1.1 0.0 volume=11.339 peak=248 ppm1=2.464 ppm2=2.308

assign ( resid 105 and name H
  )
       ( resid 105 and name HB2
  ) 2.8 1.0 0.0 volume=3.107 peak=1274 ppm1=7.907 ppm2=1.990

assign ( resid 71 and name HD#
  )
       ( resid 68 and name HB2
  ) 4.5 2.7 0.0 volume=0.378 peak=68 ppm1=7.190 ppm2=1.877

assign ( resid 11 and name H
  )
       ( resid 10 and name HG2
  ) 4.5 2.7 0.0 volume=0.867 peak=1067 ppm1=8.600 ppm2=2.332

assign ( resid 89 and name H
  )
       ( resid 87 and name HA
  ) 5.5 3.7 0.0 volume=0.520 peak=906 ppm1=7.992 ppm2=3.903

assign ( resid 21 and name HB3
  )
       ( resid 21 and name HD1#
  ) 4.5 2.8 0.0 volume=0.454 peak=137 ppm1=1.440 ppm2=0.761

assign ( resid 69 and name HD2#
  )
       ( resid 34 and name HB#
  ) 3.5 1.8 0.0 volume=0.837 peak=188 ppm1=0.838 ppm2=1.201

assign ( resid 20 and name H
  )
       ( resid 19 and name HA
  ) 5.5 3.7 0.0 volume=0.473 peak=1020 ppm1=8.737 ppm2=4.382

assign ( resid 16 and name HG2#
  )
       ( resid 15 and name HB2
  ) 4.5 2.8 0.0 volume=0.522 peak=306 ppm1=1.003 ppm2=2.183

assign ( resid 46 and name H
  )
       ( resid 46 and name HB
  ) 3.5 1.7 0.0 volume=1.206 peak=1190 ppm1=8.236 ppm2=1.963

assign ( resid 96 and name HD1#
  )
       ( resid 96 and name HG12
  ) 2.8 1.1 0.0 volume=2.085 peak=387 ppm1=0.869 ppm2=1.808

assign ( resid 97 and name H
  )
       ( resid 97 and name HB2
  ) 2.8 1.0 0.0 volume=1.761 peak=871 ppm1=7.735 ppm2=2.131

assign ( resid 27 and name HD#
  )
       ( resid 27 and name H
  ) 4.5 2.7 0.0 volume=0.424 peak=57 ppm1=7.007 ppm2=7.906

assign ( resid 59 and name HA
  )
       ( resid 59 and name HB
  ) 4.5 2.8 0.0 volume=0.550 peak=287 ppm1=4.160 ppm2=4.605

assign ( resid 114 and name H
  )
       ( resid 114 and name HA
  ) 3.5 1.7 0.0 volume=1.674 peak=1116 ppm1=7.723 ppm2=4.373

assign ( resid 16 and name HG2#
  )
       ( resid 16 and name HG1#
  ) 2.8 1.1 0.0 volume=1.881 peak=136 ppm1=1.005 ppm2=1.131

assign ( resid 23 and name H
  )
       ( resid 23 and name HB2
  ) 4.5 2.7 0.0 volume=0.816 peak=888 ppm1=8.808 ppm2=2.981

assign ( resid 35 and name H
  )
       ( resid 35 and name HG3
  ) 5.5 3.7 0.0 volume=0.468 peak=1288 ppm1=9.858 ppm2=2.171

assign ( resid 95 and name HA
  )
       ( resid 95 and name HB2
  ) 4.5 2.8 0.0 volume=0.461 peak=265 ppm1=3.967 ppm2=1.161

assign ( resid 16 and name HA
  )
       ( resid 16 and name HG2#
  ) 2.8 1.1 0.0 volume=1.645 peak=326 ppm1=3.860 ppm2=1.002

assign ( resid 29 and name HB2
  )
       ( resid 29 and name HB3
  ) 3.5 1.8 0.0 volume=0.772 peak=625 ppm1=2.907 ppm2=3.204

assign ( resid 68 and name H
  )
       ( resid 68 and name HD1#
  ) 5.5 3.7 0.0 volume=0.449 peak=927 ppm1=8.097 ppm2=1.158

assign ( resid 74 and name H
  )
       ( resid 73 and name HB3
  ) 2.8 1.0 0.0 volume=2.954 peak=1290 ppm1=7.148 ppm2=2.028

assign ( resid 16 and name H
  )
       ( resid 13 and name HA
  ) 4.5 2.7 0.0 volume=0.811 peak=1156 ppm1=7.828 ppm2=4.169

assign ( resid 81 and name HG2#
  )
       ( resid 72 and name HB3
  ) 3.5 1.8 0.0 volume=0.833 peak=156 ppm1=1.295 ppm2=1.022

assign ( resid 95 and name HD2#
  )
       ( resid 31 and name HB2
  ) 3.5 1.8 0.0 volume=1.100 peak=295 ppm1=0.767 ppm2=1.740

assign ( resid 93 and name HA
  )
       ( resid 93 and name HB2
  ) 3.5 1.8 0.0 volume=0.655 peak=142 ppm1=4.087 ppm2=2.824

assign ( resid 94 and name HD#
  )
       ( resid 94 and name HE#
  ) 2.8 1.0 0.0 volume=3.315 peak=49 ppm1=7.343 ppm2=7.461

assign ( resid 106 and name H
  )
       ( resid 106 and name HA
  ) 3.5 1.7 0.0 volume=1.332 peak=1213 ppm1=8.142 ppm2=4.079

assign ( resid 41 and name H
  )
       ( resid 42 and name H
  ) 4.5 2.7 0.0 volume=0.955 peak=695 ppm1=7.945 ppm2=8.876

assign ( resid 49 and name HA
  )
       ( resid 49 and name HD2
  ) 4.5 2.8 0.0 volume=0.486 peak=302 ppm1=3.852 ppm2=3.140

assign ( resid 115 and name H
  )
       ( resid 115 and name HA
  ) 4.5 2.7 0.0 volume=0.968 peak=761 ppm1=7.590 ppm2=4.117

assign ( resid 107 and name HA
  )
       ( resid 16 and name HG2#
  ) 3.5 1.8 0.0 volume=0.942 peak=662 ppm1=3.848 ppm2=1.000

assign ( resid 48 and name H
  )
       ( resid 47 and name HB3
  ) 4.5 2.7 0.0 volume=0.645 peak=1260 ppm1=9.283 ppm2=1.280

assign ( resid 46 and name H
  )
       ( resid 47 and name H
  ) 3.5 1.7 0.0 volume=1.642 peak=853 ppm1=8.232 ppm2=6.510

assign ( resid 31 and name H
  )
       ( resid 31 and name HA
  ) 4.5 2.7 0.0 volume=0.800 peak=1089 ppm1=7.084 ppm2=4.488

assign ( resid 92 and name HE22
  )
       ( resid 92 and name HE21
  ) 2.0 0.3 0.0 volume=4.877 peak=11 ppm1=6.805 ppm2=7.966

assign ( resid 32 and name HG13
  )
       ( resid 32 and name HG12
  ) 3.5 1.8 0.0 volume=1.098 peak=513 ppm1=1.186 ppm2=1.401

assign ( resid 16 and name H
  )
       ( resid 16 and name HG2#
  ) 2.8 1.0 0.0 volume=2.149 peak=1045 ppm1=7.829 ppm2=1.022

assign ( resid 68 and name HD1#
  )
       ( resid 72 and name HG
  ) 3.5 1.8 0.0 volume=0.782 peak=115 ppm1=1.156 ppm2=1.012

assign ( resid 75 and name HD21
  )
       ( resid 75 and name HD22
  ) 2.0 0.3 0.0 volume=1.296 peak=20 ppm1=8.447 ppm2=7.183

assign ( resid 42 and name HD3
  )
       ( resid 52 and name HG2#
  ) 5.5 3.8 0.0 volume=0.269 peak=403 ppm1=3.030 ppm2=0.408

assign ( resid 78 and name H
  )
       ( resid 21 and name HD1#
  ) 5.5 3.7 0.0 volume=0.506 peak=1244 ppm1=8.877 ppm2=0.757

assign ( resid 31 and name H
  )
       ( resid 31 and name HG2
  ) 3.5 1.7 0.0 volume=1.238 peak=865 ppm1=7.095 ppm2=1.578

assign ( resid 47 and name H
  )
       ( resid 41 and name HD1#
  ) 4.5 2.7 0.0 volume=0.713 peak=1136 ppm1=6.507 ppm2=1.058

assign ( resid 16 and name H
  )
       ( resid 106 and name HB2
  ) 5.5 3.7 0.0 volume=0.567 peak=1172 ppm1=7.835 ppm2=1.557

assign ( resid 114 and name HD1#
  )
       ( resid 115 and name HA
  ) 2.8 1.1 0.0 volume=1.430 peak=608 ppm1=0.853 ppm2=4.084

assign ( resid 44 and name H
  )
       ( resid 43 and name H
  ) 3.5 1.7 0.0 volume=1.034 peak=1132 ppm1=7.381 ppm2=8.287

assign ( resid 32 and name H
  )
       ( resid 31 and name H
  ) 3.5 1.7 0.0 volume=1.591 peak=808 ppm1=8.262 ppm2=7.084

assign ( resid 99 and name HG13
  )
       ( resid 99 and name HG12
  ) 3.5 1.8 0.0 volume=0.750 peak=502 ppm1=1.922 ppm2=0.679

assign ( resid 35 and name H
  )
       ( resid 36 and name H
  ) 4.5 2.7 0.0 volume=0.785 peak=954 ppm1=9.858 ppm2=7.295

assign ( resid 66 and name H
  )
       ( resid 67 and name HB3
  ) 4.5 2.7 0.0 volume=0.847 peak=819 ppm1=8.332 ppm2=1.639

assign ( resid 71 and name HA
  )
       ( resid 71 and name HD#
  ) 5.5 3.8 0.0 volume=0.305 peak=498 ppm1=4.241 ppm2=7.181

assign ( resid 70 and name H
  )
       ( resid 71 and name HB2
  ) 3.5 1.7 0.0 volume=1.036 peak=1278 ppm1=7.892 ppm2=2.954

assign ( resid 15 and name HB2
  )
       ( resid 15 and name HA
  ) 3.5 1.8 0.0 volume=0.774 peak=90 ppm1=2.193 ppm2=4.058

assign ( resid 27 and name HA
  )
       ( resid 27 and name HB3
  ) 4.5 2.8 0.0 volume=0.508 peak=530 ppm1=4.211 ppm2=3.206

assign ( resid 71 and name HB2
  )
       ( resid 47 and name HD1#
  ) 5.5 3.8 0.0 volume=0.332 peak=158 ppm1=2.963 ppm2=0.586

assign ( resid 111 and name HD1#
  )
       ( resid 111 and name HB2
  ) 3.5 1.8 0.0 volume=0.814 peak=114 ppm1=0.899 ppm2=1.845

assign ( resid 59 and name HA
  )
       ( resid 59 and name HG2#
  ) 3.5 1.8 0.0 volume=0.650 peak=356 ppm1=4.163 ppm2=1.317

assign ( resid 93 and name HB2
  )
       ( resid 94 and name HA
  ) 5.5 3.8 0.0 volume=0.291 peak=654 ppm1=2.808 ppm2=4.500

assign ( resid 80 and name H
  )
       ( resid 79 and name H
  ) 4.5 2.7 0.0 volume=0.931 peak=999 ppm1=8.712 ppm2=9.204

assign ( resid 103 and name H
  )
       ( resid 103 and name HB
  ) 2.8 1.0 0.0 volume=2.178 peak=1224 ppm1=8.043 ppm2=2.150

assign ( resid 97 and name HE21
  )
       ( resid 97 and name HB3
  ) 2.8 1.1 0.0 volume=0.477 peak=29 ppm1=6.775 ppm2=2.177

assign ( resid 35 and name H
  )
       ( resid 34 and name HB#
  ) 3.5 1.7 0.0 volume=1.417 peak=900 ppm1=9.859 ppm2=1.199

assign ( resid 57 and name HB2
  )
       ( resid 57 and name HA
  ) 5.5 3.8 0.0 volume=0.380 peak=437 ppm1=3.094 ppm2=4.514

assign ( resid 32 and name HG12
  )
       ( resid 32 and name HG13
  ) 2.8 1.1 0.0 volume=1.485 peak=577 ppm1=1.402 ppm2=1.212

assign ( resid 91 and name H
  )
       ( resid 90 and name HB2
  ) 4.5 2.7 0.0 volume=0.602 peak=826 ppm1=8.425 ppm2=2.206

assign ( resid 37 and name H
  )
       ( resid 37 and name HB3
  ) 4.5 2.7 0.0 volume=0.633 peak=1205 ppm1=7.437 ppm2=2.644

assign ( resid 80 and name H
  )
       ( resid 79 and name HB3
  ) 4.5 2.7 0.0 volume=0.926 peak=1236 ppm1=8.713 ppm2=1.784

assign ( resid 47 and name H
  )
       ( resid 46 and name HG13
  ) 5.5 3.7 0.0 volume=0.540 peak=1122 ppm1=6.501 ppm2=1.496

assign ( resid 32 and name HG2#
  )
       ( resid 65 and name HB#
  ) 4.5 2.8 0.0 volume=0.476 peak=599 ppm1=0.649 ppm2=1.598

assign ( resid 105 and name H
  )
       ( resid 105 and name HD2
  ) 4.5 2.7 0.0 volume=0.611 peak=972 ppm1=7.915 ppm2=1.565

assign ( resid 96 and name HG2#
  )
       ( resid 96 and name HB
  ) 3.5 1.8 0.0 volume=1.079 peak=314 ppm1=0.847 ppm2=1.994

assign ( resid 98 and name H
  )
       ( resid 99 and name HG12
  ) 5.5 3.7 0.0 volume=0.542 peak=964 ppm1=7.209 ppm2=0.713

assign ( resid 104 and name HA
  )
       ( resid 104 and name HD1#
  ) 3.5 1.8 0.0 volume=1.295 peak=547 ppm1=3.917 ppm2=0.836

assign ( resid 68 and name HA
  )
       ( resid 68 and name HG
  ) 5.5 3.8 0.0 volume=0.392 peak=96 ppm1=4.205 ppm2=1.034

assign ( resid 69 and name H
  )
       ( resid 65 and name HB#
  ) 4.5 2.7 0.0 volume=0.894 peak=1011 ppm1=8.408 ppm2=1.601

assign ( resid 98 and name H
  )
       ( resid 99 and name H
  ) 3.5 1.7 0.0 volume=1.272 peak=1070 ppm1=7.207 ppm2=8.000

assign ( resid 46 and name H
  )
       ( resid 44 and name HB3
  ) 3.5 1.7 0.0 volume=1.120 peak=794 ppm1=8.238 ppm2=1.542

assign ( resid 72 and name HG
  )
       ( resid 46 and name HG12
  ) 5.5 3.8 0.0 volume=0.322 peak=342 ppm1=1.003 ppm2=1.249

assign ( resid 31 and name H
  )
       ( resid 30 and name HA
  ) 4.5 2.7 0.0 volume=0.660 peak=1078 ppm1=7.086 ppm2=4.168

assign ( resid 101 and name H
  )
       ( resid 100 and name HG2#
  ) 5.5 3.7 0.0 volume=0.407 peak=703 ppm1=8.637 ppm2=1.228

assign ( resid 21 and name HD2#
  )
       ( resid 21 and name HA
  ) 2.8 1.1 0.0 volume=1.619 peak=331 ppm1=0.697 ppm2=3.799

assign ( resid 107 and name HB2
  )
       ( resid 107 and name HG3
  ) 2.8 1.1 0.0 volume=5.790 peak=270 ppm1=1.881 ppm2=1.684

assign ( resid 71 and name H
  )
       ( resid 71 and name HA
  ) 3.5 1.7 0.0 volume=1.314 peak=1129 ppm1=7.605 ppm2=4.268

assign ( resid 108 and name HD21
  )
       ( resid 108 and name HD22
  ) 2.0 0.3 0.0 volume=3.545 peak=18 ppm1=7.556 ppm2=6.816

assign ( resid 73 and name HE22
  )
       ( resid 18 and name HE2
  ) 2.8 1.1 0.0 volume=0.352 peak=27 ppm1=7.227 ppm2=2.384

assign ( resid 27 and name HE#
  )
       ( resid 102 and name HG2
  ) 4.5 2.7 0.0 volume=0.443 peak=69 ppm1=6.730 ppm2=2.299

assign ( resid 103 and name H
  )
       ( resid 101 and name H
  ) 5.5 3.7 0.0 volume=0.441 peak=919 ppm1=8.024 ppm2=8.647

assign ( resid 81 and name HG2#
  )
       ( resid 44 and name HB2
  ) 4.5 2.8 0.0 volume=0.598 peak=465 ppm1=1.300 ppm2=2.042

assign ( resid 30 and name H
  )
       ( resid 30 and name HA
  ) 2.8 1.0 0.0 volume=2.166 peak=1149 ppm1=7.153 ppm2=4.202

assign ( resid 72 and name HG
  )
       ( resid 72 and name HB2
  ) 5.5 3.8 0.0 volume=0.289 peak=409 ppm1=1.009 ppm2=2.107

assign ( resid 39 and name H
  )
       ( resid 39 and name HA
  ) 3.5 1.7 0.0 volume=1.203 peak=1026 ppm1=8.938 ppm2=4.329

assign ( resid 109 and name HG13
  )
       ( resid 109 and name HG12
  ) 2.8 1.1 0.0 volume=2.153 peak=549 ppm1=1.164 ppm2=1.476

assign ( resid 80 and name HA
  )
       ( resid 83 and name HG1#
  ) 3.5 1.8 0.0 volume=0.610 peak=217 ppm1=4.153 ppm2=1.000

assign ( resid 82 and name H
  )
       ( resid 81 and name HG2#
  ) 5.5 3.7 0.0 volume=0.534 peak=855 ppm1=8.359 ppm2=1.304

assign ( resid 74 and name H
  )
       ( resid 73 and name H
  ) 4.5 2.7 0.0 volume=0.778 peak=796 ppm1=7.142 ppm2=8.199

assign ( resid 13 and name HG
  )
       ( resid 13 and name HD2#
  ) 3.5 1.8 0.0 volume=0.721 peak=542 ppm1=1.585 ppm2=0.863

assign ( resid 105 and name HA
  )
       ( resid 105 and name HB2
  ) 2.8 1.1 0.0 volume=1.697 peak=98 ppm1=3.980 ppm2=1.960

assign ( resid 70 and name HB3
  )
       ( resid 70 and name HB2
  ) 3.5 1.8 0.0 volume=1.059 peak=544 ppm1=2.493 ppm2=2.917

assign ( resid 18 and name HE3
  )
       ( resid 18 and name HD3
  ) 3.5 1.8 0.0 volume=0.820 peak=378 ppm1=2.592 ppm2=1.492

assign ( resid 27 and name HD#
  )
       ( resid 28 and name HA
  ) 4.5 2.7 0.0 volume=0.304 peak=71 ppm1=7.014 ppm2=3.775

assign ( resid 46 and name HG12
  )
       ( resid 46 and name HG13
  ) 3.5 1.8 0.0 volume=1.289 peak=449 ppm1=1.254 ppm2=1.490

assign ( resid 74 and name H
  )
       ( resid 70 and name HA
  ) 3.5 1.7 0.0 volume=1.466 peak=724 ppm1=7.138 ppm2=4.273

assign ( resid 100 and name H
  )
       ( resid 100 and name HG2#
  ) 4.5 2.7 0.0 volume=0.825 peak=915 ppm1=8.613 ppm2=1.280

assign ( resid 78 and name HA3
  )
       ( resid 78 and name HA2
  ) 3.5 1.8 0.0 volume=1.093 peak=427 ppm1=3.444 ppm2=4.491

assign ( resid 29 and name HB3
  )
       ( resid 29 and name HB2
  ) 3.5 1.8 0.0 volume=0.666 peak=355 ppm1=3.210 ppm2=2.907

assign ( resid 113 and name H
  )
       ( resid 113 and name HB3
  ) 4.5 2.7 0.0 volume=0.810 peak=1271 ppm1=7.818 ppm2=3.191

assign ( resid 27 and name H
  )
       ( resid 26 and name HB
  ) 3.5 1.7 0.0 volume=1.414 peak=1053 ppm1=7.906 ppm2=2.091

assign ( resid 94 and name H
  )
       ( resid 96 and name H
  ) 5.5 3.7 0.0 volume=0.515 peak=1144 ppm1=8.032 ppm2=7.470

assign ( resid 110 and name H
  )
       ( resid 111 and name H
  ) 3.5 1.7 0.0 volume=1.542 peak=1267 ppm1=7.772 ppm2=8.116

assign ( resid 72 and name HD2#
  )
       ( resid 78 and name HA2
  ) 5.5 3.8 0.0 volume=0.316 peak=615 ppm1=0.782 ppm2=4.501

assign ( resid 105 and name HG2
  )
       ( resid 105 and name HB2
  ) 4.5 2.8 0.0 volume=0.471 peak=245 ppm1=1.169 ppm2=1.989

assign ( resid 55 and name HA
  )
       ( resid 55 and name HG12
  ) 5.5 3.8 0.0 volume=0.436 peak=234 ppm1=3.549 ppm2=1.905

assign ( resid 69 and name HG
  )
       ( resid 69 and name HB3
  ) 3.5 1.8 0.0 volume=0.633 peak=664 ppm1=0.817 ppm2=1.937

assign ( resid 79 and name H
  )
       ( resid 80 and name H
  ) 4.5 2.7 0.0 volume=0.986 peak=1291 ppm1=9.236 ppm2=8.715

assign ( resid 95 and name HD1#
  )
       ( resid 95 and name HB2
  ) 3.5 1.8 0.0 volume=0.651 peak=148 ppm1=0.605 ppm2=1.141

assign ( resid 74 and name H
  )
       ( resid 72 and name HA
  ) 5.5 3.7 0.0 volume=0.457 peak=1185 ppm1=7.150 ppm2=3.945

assign ( resid 109 and name H
  )
       ( resid 16 and name HG1#
  ) 4.5 2.7 0.0 volume=0.798 peak=1181 ppm1=7.731 ppm2=1.137

assign ( resid 64 and name H
  )
       ( resid 64 and name HA
  ) 4.5 2.7 0.0 volume=0.773 peak=1072 ppm1=8.610 ppm2=4.126

assign ( resid 98 and name H
  )
       ( resid 97 and name HB2
  ) 3.5 1.7 0.0 volume=1.214 peak=711 ppm1=7.216 ppm2=2.078

assign ( resid 95 and name HB2
  )
       ( resid 95 and name HD1#
  ) 4.5 2.8 0.0 volume=0.474 peak=515 ppm1=1.142 ppm2=0.608

assign ( resid 93 and name H
  )
       ( resid 93 and name HB3
  ) 3.5 1.7 0.0 volume=1.164 peak=691 ppm1=8.264 ppm2=2.886

assign ( resid 115 and name HA
  )
       ( resid 115 and name HB3
  ) 3.5 1.8 0.0 volume=1.306 peak=162 ppm1=4.102 ppm2=1.806

assign ( resid 90 and name HB2
  )
       ( resid 90 and name HB3
  ) 2.8 1.1 0.0 volume=1.842 peak=523 ppm1=2.227 ppm2=1.969

assign ( resid 109 and name HG2#
  )
       ( resid 109 and name HA
  ) 3.5 1.8 0.0 volume=0.822 peak=260 ppm1=0.902 ppm2=3.833

assign ( resid 99 and name HG2#
  )
       ( resid 99 and name HA
  ) 5.5 3.8 0.0 volume=0.444 peak=420 ppm1=0.741 ppm2=3.562

assign ( resid 21 and name HB3
  )
       ( resid 21 and name HA
  ) 5.5 3.8 0.0 volume=0.293 peak=200 ppm1=1.432 ppm2=3.803

assign ( resid 98 and name H
  )
       ( resid 98 and name HG2
  ) 5.5 3.7 0.0 volume=0.447 peak=769 ppm1=7.206 ppm2=1.467

assign ( resid 65 and name HB#
  )
       ( resid 62 and name HA
  ) 5.5 3.8 0.0 volume=0.324 peak=319 ppm1=1.608 ppm2=4.536

assign ( resid 51 and name H
  )
       ( resid 51 and name HB3
  ) 3.5 1.7 0.0 volume=1.263 peak=1217 ppm1=7.713 ppm2=2.494

assign ( resid 101 and name H
  )
       ( resid 101 and name HB2
  ) 3.5 1.7 0.0 volume=1.240 peak=710 ppm1=8.639 ppm2=2.855

assign ( resid 93 and name HD22
  )
       ( resid 93 and name HB3
  ) 3.5 1.8 0.0 volume=0.281 peak=16 ppm1=7.547 ppm2=2.886

assign ( resid 34 and name HB#
  )
       ( resid 35 and name HA
  ) 3.5 1.8 0.0 volume=0.811 peak=618 ppm1=1.204 ppm2=4.151

assign ( resid 12 and name H
  )
       ( resid 13 and name HA
  ) 4.5 2.7 0.0 volume=0.724 peak=706 ppm1=8.021 ppm2=4.161

assign ( resid 102 and name H
  )
       ( resid 102 and name HA
  ) 4.5 2.7 0.0 volume=0.914 peak=1259 ppm1=7.585 ppm2=4.093

assign ( resid 44 and name H
  )
       ( resid 41 and name HA
  ) 5.5 3.7 0.0 volume=0.411 peak=848 ppm1=7.384 ppm2=3.852

assign ( resid 27 and name H
  )
       ( resid 27 and name HA
  ) 4.5 2.7 0.0 volume=0.759 peak=793 ppm1=7.906 ppm2=4.189

assign ( resid 27 and name HD#
  )
       ( resid 27 and name HB2
  ) 4.5 2.7 0.0 volume=0.582 peak=61 ppm1=7.002 ppm2=2.889

assign ( resid 45 and name H
  )
       ( resid 45 and name HG2
  ) 3.5 1.7 0.0 volume=1.128 peak=1104 ppm1=7.820 ppm2=1.320

assign ( resid 24 and name HD2#
  )
       ( resid 83 and name HB
  ) 5.5 3.8 0.0 volume=0.392 peak=272 ppm1=0.733 ppm2=2.201

assign ( resid 17 and name HA
  )
       ( resid 103 and name HG2#
  ) 3.5 1.8 0.0 volume=0.632 peak=119 ppm1=3.790 ppm2=0.926

assign ( resid 20 and name HB#
  )
       ( resid 102 and name HB3
  ) 4.5 2.8 0.0 volume=0.514 peak=634 ppm1=1.322 ppm2=2.234

assign ( resid 24 and name HD1#
  )
       ( resid 102 and name HB3
  ) 4.5 2.8 0.0 volume=0.456 peak=486 ppm1=0.789 ppm2=2.248

assign ( resid 74 and name H
  )
       ( resid 74 and name HG3
  ) 3.5 1.7 0.0 volume=1.084 peak=1108 ppm1=7.141 ppm2=2.460

assign ( resid 100 and name HG2#
  )
       ( resid 104 and name HD2#
  ) 2.8 1.1 0.0 volume=1.787 peak=131 ppm1=1.236 ppm2=0.879

assign ( resid 29 and name HB2
  )
       ( resid 29 and name HA
  ) 5.5 3.8 0.0 volume=0.244 peak=195 ppm1=2.879 ppm2=4.115

assign ( resid 12 and name H
  )
       ( resid 12 and name HA
  ) 4.5 2.7 0.0 volume=0.880 peak=824 ppm1=8.017 ppm2=4.517

assign ( resid 107 and name H
  )
       ( resid 16 and name HG2#
  ) 5.5 3.7 0.0 volume=0.493 peak=676 ppm1=9.060 ppm2=1.020

assign ( resid 14 and name H
  )
       ( resid 14 and name HA
  ) 3.5 1.7 0.0 volume=1.077 peak=820 ppm1=8.406 ppm2=3.909

assign ( resid 71 and name HE#
  )
       ( resid 47 and name HD1#
  ) 3.5 1.7 0.0 volume=0.931 peak=63 ppm1=6.707 ppm2=0.597

assign ( resid 28 and name HD1#
  )
       ( resid 24 and name HG
  ) 3.5 1.8 0.0 volume=0.749 peak=390 ppm1=0.991 ppm2=1.731

assign ( resid 53 and name HA
  )
       ( resid 53 and name HG3
  ) 3.5 1.8 0.0 volume=0.790 peak=93 ppm1=3.981 ppm2=1.618

assign ( resid 72 and name H
  )
       ( resid 71 and name H
  ) 4.5 2.7 0.0 volume=0.852 peak=979 ppm1=8.319 ppm2=7.590

assign ( resid 27 and name HE#
  )
       ( resid 23 and name HB2
  ) 3.5 1.7 0.0 volume=0.806 peak=31 ppm1=6.704 ppm2=2.948

assign ( resid 46 and name HG2#
  )
       ( resid 46 and name HG12
  ) 3.5 1.8 0.0 volume=1.246 peak=452 ppm1=0.791 ppm2=1.265

assign ( resid 110 and name H
  )
       ( resid 110 and name HA
  ) 3.5 1.7 0.0 volume=1.225 peak=966 ppm1=7.763 ppm2=4.081

assign ( resid 46 and name HG2#
  )
       ( resid 46 and name HG13
  ) 3.5 1.8 0.0 volume=0.644 peak=649 ppm1=0.783 ppm2=1.495

assign ( resid 73 and name H
  )
       ( resid 71 and name HA
  ) 3.5 1.7 0.0 volume=1.297 peak=738 ppm1=8.172 ppm2=4.240

assign ( resid 57 and name H
  )
       ( resid 54 and name HA
  ) 5.5 3.7 0.0 volume=0.522 peak=1206 ppm1=7.485 ppm2=4.083

assign ( resid 95 and name H
  )
       ( resid 95 and name HG
  ) 3.5 1.7 0.0 volume=1.409 peak=884 ppm1=7.330 ppm2=0.945

assign ( resid 36 and name H
  )
       ( resid 36 and name HB2
  ) 3.5 1.7 0.0 volume=1.038 peak=891 ppm1=7.306 ppm2=1.499

assign ( resid 55 and name H
  )
       ( resid 55 and name HB
  ) 2.8 1.0 0.0 volume=1.951 peak=939 ppm1=8.163 ppm2=2.135

assign ( resid 88 and name H
  )
       ( resid 87 and name HA
  ) 5.5 3.7 0.0 volume=0.457 peak=974 ppm1=7.778 ppm2=3.903

assign ( resid 70 and name H
  )
       ( resid 71 and name H
  ) 4.5 2.7 0.0 volume=0.984 peak=982 ppm1=7.895 ppm2=7.625

assign ( resid 109 and name H
  )
       ( resid 109 and name HB
  ) 2.8 1.0 0.0 volume=2.806 peak=934 ppm1=7.731 ppm2=1.846

assign ( resid 27 and name HA
  )
       ( resid 27 and name HB2
  ) 5.5 3.8 0.0 volume=0.314 peak=237 ppm1=4.207 ppm2=2.891

assign ( resid 115 and name H
  )
       ( resid 114 and name HB3
  ) 3.5 1.7 0.0 volume=1.382 peak=1228 ppm1=7.579 ppm2=1.728

assign ( resid 33 and name HG12
  )
       ( resid 33 and name HG13
  ) 3.5 1.8 0.0 volume=1.285 peak=275 ppm1=1.273 ppm2=1.452

assign ( resid 95 and name H
  )
       ( resid 94 and name HA
  ) 5.5 3.7 0.0 volume=0.499 peak=926 ppm1=7.329 ppm2=4.499

assign ( resid 111 and name HD1#
  )
       ( resid 108 and name HA
  ) 5.5 3.8 0.0 volume=0.307 peak=487 ppm1=0.914 ppm2=4.492

assign ( resid 29 and name H
  )
       ( resid 30 and name HB2
  ) 4.5 2.7 0.0 volume=0.858 peak=959 ppm1=8.699 ppm2=2.042

assign ( resid 32 and name HD1#
  )
       ( resid 69 and name HD1#
  ) 2.8 1.1 0.0 volume=3.401 peak=140 ppm1=0.597 ppm2=0.710

assign ( resid 16 and name HG2#
  )
       ( resid 16 and name HB
  ) 2.8 1.1 0.0 volume=1.630 peak=609 ppm1=1.003 ppm2=2.349

assign ( resid 36 and name H
  )
       ( resid 35 and name H
  ) 5.5 3.7 0.0 volume=0.508 peak=783 ppm1=7.319 ppm2=9.834

assign ( resid 99 and name HD1#
  )
       ( resid 99 and name HG13
  ) 3.5 1.8 0.0 volume=0.853 peak=569 ppm1=0.615 ppm2=1.923

assign ( resid 45 and name HA
  )
       ( resid 45 and name HD2
  ) 4.5 2.8 0.0 volume=0.507 peak=257 ppm1=3.799 ppm2=1.732

assign ( resid 84 and name H
  )
       ( resid 84 and name HB3
  ) 2.8 1.0 0.0 volume=1.754 peak=1033 ppm1=7.563 ppm2=2.322

assign ( resid 79 and name HD1#
  )
       ( resid 79 and name HG
  ) 3.5 1.8 0.0 volume=0.885 peak=451 ppm1=0.770 ppm2=1.488

assign ( resid 85 and name H
  )
       ( resid 85 and name HB3
  ) 2.8 1.0 0.0 volume=1.756 peak=770 ppm1=7.964 ppm2=3.746

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HB2
  ) 3.5 1.7 0.0 volume=0.719 peak=42 ppm1=7.183 ppm2=2.968

assign ( resid 104 and name HD2#
  )
       ( resid 100 and name HG2#
  ) 5.5 3.8 0.0 volume=0.263 peak=476 ppm1=0.900 ppm2=1.262

assign ( resid 105 and name H
  )
       ( resid 104 and name HD2#
  ) 5.5 3.7 0.0 volume=0.573 peak=1214 ppm1=7.911 ppm2=0.877

assign ( resid 102 and name H
  )
       ( resid 103 and name HG2#
  ) 5.5 3.7 0.0 volume=0.454 peak=881 ppm1=7.585 ppm2=0.942

assign ( resid 16 and name HG2#
  )
       ( resid 16 and name HA
  ) 2.8 1.1 0.0 volume=2.262 peak=404 ppm1=1.002 ppm2=3.851

assign ( resid 106 and name HB3
  )
       ( resid 106 and name HD2#
  ) 4.5 2.8 0.0 volume=0.528 peak=466 ppm1=1.994 ppm2=0.976

assign ( resid 47 and name HD1#
  )
       ( resid 51 and name HB3
  ) 5.5 3.8 0.0 volume=0.298 peak=117 ppm1=0.588 ppm2=2.486

assign ( resid 105 and name H
  )
       ( resid 106 and name H
  ) 2.8 1.0 0.0 volume=2.036 peak=955 ppm1=7.908 ppm2=8.169

assign ( resid 47 and name HD2#
  )
       ( resid 47 and name HB2
  ) 3.5 1.8 0.0 volume=1.193 peak=555 ppm1=0.577 ppm2=1.032

assign ( resid 12 and name H
  )
       ( resid 11 and name HA
  ) 4.5 2.7 0.0 volume=0.850 peak=953 ppm1=8.014 ppm2=4.103

assign ( resid 21 and name HA
  )
       ( resid 21 and name HB2
  ) 3.5 1.8 0.0 volume=1.300 peak=591 ppm1=3.808 ppm2=1.991

assign ( resid 97 and name HA
  )
       ( resid 97 and name HG3
  ) 3.5 1.8 0.0 volume=0.706 peak=535 ppm1=3.960 ppm2=2.391

assign ( resid 98 and name HB2
  )
       ( resid 98 and name HA
  ) 3.5 1.8 0.0 volume=1.326 peak=352 ppm1=1.978 ppm2=4.094

assign ( resid 100 and name HG2#
  )
       ( resid 99 and name HG2#
  ) 5.5 3.8 0.0 volume=0.407 peak=539 ppm1=1.245 ppm2=0.733

assign ( resid 106 and name HD1#
  )
       ( resid 106 and name HB2
  ) 3.5 1.8 0.0 volume=0.952 peak=642 ppm1=0.853 ppm2=1.563

assign ( resid 34 and name HB#
  )
       ( resid 68 and name HD2#
  ) 2.8 1.1 0.0 volume=2.718 peak=514 ppm1=1.200 ppm2=0.852

assign ( resid 25 and name H
  )
       ( resid 25 and name HA
  ) 4.5 2.7 0.0 volume=0.931 peak=1280 ppm1=7.576 ppm2=3.693

assign ( resid 111 and name HB2
  )
       ( resid 111 and name HB3
  ) 2.8 1.1 0.0 volume=1.462 peak=442 ppm1=1.864 ppm2=1.557

assign ( resid 110 and name HG3
  )
       ( resid 110 and name HA
  ) 4.5 2.8 0.0 volume=0.454 peak=371 ppm1=1.464 ppm2=4.084

assign ( resid 12 and name HB2
  )
       ( resid 12 and name HA
  ) 5.5 3.8 0.0 volume=0.323 peak=656 ppm1=2.473 ppm2=4.485

assign ( resid 97 and name H
  )
       ( resid 97 and name HA
  ) 4.5 2.7 0.0 volume=0.987 peak=1272 ppm1=7.734 ppm2=3.954

assign ( resid 104 and name HA
  )
       ( resid 13 and name HB2
  ) 3.5 1.8 0.0 volume=0.977 peak=626 ppm1=3.907 ppm2=1.717

assign ( resid 26 and name HG2#
  )
       ( resid 26 and name HA
  ) 3.5 1.8 0.0 volume=1.115 peak=619 ppm1=1.053 ppm2=3.548

assign ( resid 87 and name H
  )
       ( resid 87 and name HB2
  ) 2.8 1.0 0.0 volume=2.429 peak=837 ppm1=8.541 ppm2=1.903

assign ( resid 20 and name H
  )
       ( resid 20 and name HB#
  ) 2.8 1.0 0.0 volume=2.128 peak=971 ppm1=8.723 ppm2=1.318

assign ( resid 107 and name H
  )
       ( resid 110 and name HB2
  ) 3.5 1.7 0.0 volume=1.696 peak=1060 ppm1=9.058 ppm2=1.949

assign ( resid 21 and name H
  )
       ( resid 21 and name HG
  ) 4.5 2.7 0.0 volume=0.978 peak=1034 ppm1=7.668 ppm2=1.862

assign ( resid 25 and name HA
  )
       ( resid 69 and name HG
  ) 4.5 2.8 0.0 volume=0.570 peak=399 ppm1=3.666 ppm2=0.797

assign ( resid 31 and name H
  )
       ( resid 28 and name HA
  ) 5.5 3.7 0.0 volume=0.470 peak=679 ppm1=7.090 ppm2=3.787

assign ( resid 80 and name H
  )
       ( resid 80 and name HB3
  ) 4.5 2.7 0.0 volume=0.635 peak=1081 ppm1=8.731 ppm2=2.703

assign ( resid 41 and name HB2
  )
       ( resid 41 and name HB3
  ) 5.5 3.8 0.0 volume=0.398 peak=297 ppm1=1.995 ppm2=1.252

assign ( resid 21 and name H
  )
       ( resid 21 and name HA
  ) 3.5 1.7 0.0 volume=1.076 peak=747 ppm1=7.667 ppm2=3.806

assign ( resid 72 and name HD2#
  )
       ( resid 72 and name HA
  ) 3.5 1.8 0.0 volume=0.975 peak=658 ppm1=0.785 ppm2=3.931

assign ( resid 78 and name H
  )
       ( resid 77 and name H
  ) 3.5 1.7 0.0 volume=1.157 peak=671 ppm1=8.871 ppm2=8.602

assign ( resid 17 and name H
  )
       ( resid 106 and name HD1#
  ) 3.5 1.7 0.0 volume=1.649 peak=849 ppm1=8.114 ppm2=0.863

assign ( resid 42 and name HD2
  )
       ( resid 42 and name HB2
  ) 3.5 1.8 0.0 volume=1.224 peak=230 ppm1=2.919 ppm2=1.694

assign ( resid 80 and name H
  )
       ( resid 80 and name HA
  ) 4.5 2.7 0.0 volume=0.879 peak=1175 ppm1=8.726 ppm2=4.174

assign ( resid 109 and name HG2#
  )
       ( resid 109 and name HG13
  ) 3.5 1.8 0.0 volume=0.769 peak=85 ppm1=0.894 ppm2=1.177

assign ( resid 56 and name H
  )
       ( resid 55 and name HG12
  ) 4.5 2.7 0.0 volume=0.757 peak=684 ppm1=8.238 ppm2=1.894

assign ( resid 19 and name H
  )
       ( resid 19 and name HB2
  ) 4.5 2.7 0.0 volume=0.811 peak=777 ppm1=8.377 ppm2=2.575

assign ( resid 63 and name HE3
  )
       ( resid 63 and name HG2
  ) 3.5 1.8 0.0 volume=0.617 peak=366 ppm1=2.986 ppm2=1.085

assign ( resid 79 and name H
  )
       ( resid 78 and name HA2
  ) 4.5 2.7 0.0 volume=0.616 peak=737 ppm1=9.232 ppm2=4.504

assign ( resid 99 and name HA
  )
       ( resid 24 and name HG
  ) 5.5 3.8 0.0 volume=0.304 peak=605 ppm1=3.553 ppm2=1.733

assign ( resid 99 and name H
  )
       ( resid 100 and name H
  ) 4.5 2.7 0.0 volume=0.706 peak=867 ppm1=8.004 ppm2=8.609

assign ( resid 109 and name HB
  )
       ( resid 109 and name HG2#
  ) 3.5 1.8 0.0 volume=1.240 peak=548 ppm1=1.848 ppm2=0.876

assign ( resid 74 and name H
  )
       ( resid 73 and name HG2
  ) 3.5 1.7 0.0 volume=1.653 peak=1006 ppm1=7.146 ppm2=2.354

assign ( resid 41 and name H
  )
       ( resid 43 and name HB#
  ) 5.5 3.7 0.0 volume=0.480 peak=765 ppm1=7.940 ppm2=1.479

assign ( resid 69 and name HG
  )
       ( resid 69 and name HB2
  ) 3.5 1.8 0.0 volume=0.721 peak=213 ppm1=0.806 ppm2=1.376

assign ( resid 99 and name H
  )
       ( resid 98 and name H
  ) 4.5 2.7 0.0 volume=0.600 peak=1092 ppm1=8.002 ppm2=7.228

assign ( resid 52 and name HG2#
  )
       ( resid 52 and name HA
  ) 3.5 1.8 0.0 volume=0.693 peak=339 ppm1=0.412 ppm2=3.271

assign ( resid 20 and name H
  )
       ( resid 106 and name HD1#
  ) 4.5 2.7 0.0 volume=0.603 peak=1046 ppm1=8.736 ppm2=0.878

assign ( resid 69 and name H
  )
       ( resid 69 and name HG
  ) 3.5 1.7 0.0 volume=1.029 peak=698 ppm1=8.387 ppm2=0.798

assign ( resid 105 and name H
  )
       ( resid 104 and name HB3
  ) 3.5 1.7 0.0 volume=1.117 peak=1088 ppm1=7.907 ppm2=1.677

assign ( resid 50 and name HB2
  )
       ( resid 50 and name HA
  ) 4.5 2.8 0.0 volume=0.477 peak=271 ppm1=1.943 ppm2=3.923

assign ( resid 18 and name HD3
  )
       ( resid 18 and name HA
  ) 5.5 3.8 0.0 volume=0.400 peak=541 ppm1=1.482 ppm2=4.100

assign ( resid 21 and name HB2
  )
       ( resid 21 and name HB3
  ) 3.5 1.8 0.0 volume=0.964 peak=104 ppm1=1.979 ppm2=1.441

assign ( resid 99 and name HA
  )
       ( resid 99 and name HG2#
  ) 3.5 1.8 0.0 volume=1.281 peak=432 ppm1=3.563 ppm2=0.757

assign ( resid 28 and name H
  )
       ( resid 25 and name HA
  ) 5.5 3.7 0.0 volume=0.462 peak=1099 ppm1=9.312 ppm2=3.676

assign ( resid 83 and name HG1#
  )
       ( resid 83 and name HB
  ) 3.5 1.8 0.0 volume=1.215 peak=481 ppm1=0.999 ppm2=2.207

assign ( resid 41 and name H
  )
       ( resid 40 and name H
  ) 4.5 2.7 0.0 volume=0.779 peak=916 ppm1=7.940 ppm2=9.010

assign ( resid 64 and name H
  )
       ( resid 35 and name HG3
  ) 3.5 1.7 0.0 volume=1.332 peak=1134 ppm1=8.609 ppm2=2.188

assign ( resid 109 and name HA
  )
       ( resid 16 and name HG1#
  ) 4.5 2.8 0.0 volume=0.538 peak=135 ppm1=3.823 ppm2=1.132

assign ( resid 47 and name H
  )
       ( resid 46 and name HA
  ) 4.5 2.7 0.0 volume=0.602 peak=886 ppm1=6.511 ppm2=3.900

assign ( resid 27 and name HE#
  )
       ( resid 28 and name HB2
  ) 3.5 1.7 0.0 volume=0.751 peak=51 ppm1=6.705 ppm2=1.209

assign ( resid 81 and name HG2#
  )
       ( resid 46 and name HG2#
  ) 2.8 1.1 0.0 volume=1.424 peak=332 ppm1=1.306 ppm2=0.814

assign ( resid 44 and name H
  )
       ( resid 43 and name HB#
  ) 2.8 1.0 0.0 volume=2.264 peak=1127 ppm1=7.385 ppm2=1.509

assign ( resid 20 and name H
  )
       ( resid 106 and name HD2#
  ) 3.5 1.7 0.0 volume=1.253 peak=817 ppm1=8.726 ppm2=0.966

assign ( resid 13 and name H
  )
       ( resid 12 and name H
  ) 4.5 2.7 0.0 volume=0.719 peak=987 ppm1=8.306 ppm2=8.002

assign ( resid 43 and name HA
  )
       ( resid 43 and name HB#
  ) 2.8 1.1 0.0 volume=1.519 peak=172 ppm1=4.082 ppm2=1.499

assign ( resid 98 and name HB3
  )
       ( resid 98 and name HA
  ) 4.5 2.8 0.0 volume=0.457 peak=286 ppm1=1.793 ppm2=4.099

assign ( resid 107 and name H
  )
       ( resid 106 and name HD2#
  ) 4.5 2.7 0.0 volume=0.777 peak=763 ppm1=9.061 ppm2=0.951

assign ( resid 82 and name HD1#
  )
       ( resid 82 and name HG
  ) 4.5 2.8 0.0 volume=0.492 peak=208 ppm1=0.584 ppm2=1.361

assign ( resid 13 and name HA
  )
       ( resid 13 and name HB2
  ) 3.5 1.8 0.0 volume=0.858 peak=337 ppm1=4.152 ppm2=1.717

assign ( resid 105 and name H
  )
       ( resid 105 and name HA
  ) 3.5 1.7 0.0 volume=1.480 peak=781 ppm1=7.905 ppm2=3.976

assign ( resid 27 and name HD#
  )
       ( resid 95 and name HD1#
  ) 4.5 2.7 0.0 volume=0.628 peak=70 ppm1=7.001 ppm2=0.610

assign ( resid 55 and name HG2#
  )
       ( resid 55 and name HB
  ) 3.5 1.8 0.0 volume=0.680 peak=110 ppm1=0.805 ppm2=2.124

assign ( resid 84 and name H
  )
       ( resid 84 and name HA
  ) 4.5 2.7 0.0 volume=0.919 peak=767 ppm1=7.554 ppm2=3.910

assign ( resid 14 and name H
  )
       ( resid 14 and name HB
  ) 3.5 1.7 0.0 volume=1.285 peak=1237 ppm1=8.407 ppm2=4.383

assign ( resid 21 and name HA
  )
       ( resid 24 and name HD1#
  ) 2.8 1.1 0.0 volume=1.747 peak=244 ppm1=3.797 ppm2=0.780

assign ( resid 83 and name H
  )
       ( resid 83 and name HA
  ) 4.5 2.7 0.0 volume=0.695 peak=1193 ppm1=8.374 ppm2=3.341

assign ( resid 107 and name H
  )
       ( resid 107 and name HA
  ) 4.5 2.7 0.0 volume=0.790 peak=887 ppm1=9.071 ppm2=3.845

assign ( resid 32 and name HG2#
  )
       ( resid 32 and name HB
  ) 3.5 1.8 0.0 volume=0.842 peak=501 ppm1=0.646 ppm2=1.769

assign ( resid 112 and name H
  )
       ( resid 111 and name HG
  ) 4.5 2.7 0.0 volume=0.682 peak=850 ppm1=7.830 ppm2=1.740

assign ( resid 72 and name H
  )
       ( resid 72 and name HB3
  ) 4.5 2.7 0.0 volume=0.708 peak=930 ppm1=8.320 ppm2=1.021

assign ( resid 71 and name H
  )
       ( resid 71 and name HB2
  ) 2.8 1.0 0.0 volume=2.239 peak=1155 ppm1=7.606 ppm2=2.990

assign ( resid 37 and name HB2
  )
       ( resid 37 and name HB3
  ) 5.5 3.8 0.0 volume=0.426 peak=304 ppm1=3.265 ppm2=2.632

assign ( resid 32 and name HG12
  )
       ( resid 32 and name HG2#
  ) 4.5 2.8 0.0 volume=0.570 peak=262 ppm1=1.405 ppm2=0.619

assign ( resid 27 and name H
  )
       ( resid 26 and name HG1#
  ) 4.5 2.7 0.0 volume=0.675 peak=1202 ppm1=7.912 ppm2=0.976

assign ( resid 114 and name H
  )
       ( resid 115 and name H
  ) 2.8 1.0 0.0 volume=1.785 peak=962 ppm1=7.722 ppm2=7.579

assign ( resid 65 and name H
  )
       ( resid 65 and name HA
  ) 4.5 2.7 0.0 volume=0.757 peak=1233 ppm1=8.316 ppm2=3.922

assign ( resid 95 and name HD1#
  )
       ( resid 28 and name HD2#
  ) 2.8 1.1 0.0 volume=2.318 peak=462 ppm1=0.608 ppm2=0.808

assign ( resid 83 and name HB
  )
       ( resid 82 and name HB2
  ) 4.5 2.8 0.0 volume=0.486 peak=584 ppm1=2.218 ppm2=1.476

assign ( resid 103 and name HG1#
  )
       ( resid 17 and name HB2
  ) 4.5 2.8 0.0 volume=0.491 peak=464 ppm1=0.844 ppm2=1.729

assign ( resid 46 and name HD1#
  )
       ( resid 46 and name HB
  ) 4.5 2.8 0.0 volume=0.512 peak=603 ppm1=0.556 ppm2=1.973

assign ( resid 78 and name H
  )
       ( resid 78 and name HA2
  ) 2.8 1.0 0.0 volume=1.700 peak=1038 ppm1=8.877 ppm2=4.477

assign ( resid 54 and name H
  )
       ( resid 54 and name HG3
  ) 3.5 1.7 0.0 volume=1.188 peak=692 ppm1=7.798 ppm2=2.266

assign ( resid 69 and name H
  )
       ( resid 69 and name HD2#
  ) 4.5 2.7 0.0 volume=0.985 peak=809 ppm1=8.392 ppm2=0.837

assign ( resid 50 and name H
  )
       ( resid 49 and name H
  ) 4.5 2.7 0.0 volume=0.618 peak=1241 ppm1=8.644 ppm2=7.738

assign ( resid 27 and name H
  )
       ( resid 26 and name HG1#
  ) 4.5 2.7 0.0 volume=0.822 peak=1246 ppm1=7.905 ppm2=0.994

assign ( resid 16 and name H
  )
       ( resid 16 and name HB
  ) 2.8 1.0 0.0 volume=1.771 peak=832 ppm1=7.827 ppm2=2.352

assign ( resid 69 and name HD1#
  )
       ( resid 69 and name HD2#
  ) 2.8 1.1 0.0 volume=11.166 peak=467 ppm1=0.714 ppm2=0.838

assign ( resid 32 and name HA
  )
       ( resid 32 and name HG13
  ) 5.5 3.8 0.0 volume=0.324 peak=382 ppm1=4.052 ppm2=1.176

assign ( resid 104 and name HB2
  )
       ( resid 101 and name HA
  ) 5.5 3.8 0.0 volume=0.302 peak=421 ppm1=1.751 ppm2=4.422

assign ( resid 96 and name H
  )
       ( resid 95 and name HG
  ) 4.5 2.7 0.0 volume=0.868 peak=880 ppm1=7.470 ppm2=0.943

assign ( resid 71 and name HD#
  )
       ( resid 55 and name HG2#
  ) 3.5 1.7 0.0 volume=1.373 peak=56 ppm1=7.188 ppm2=0.807

assign ( resid 73 and name HE21
  )
       ( resid 73 and name HG2
  ) 2.8 1.1 0.0 volume=0.376 peak=21 ppm1=7.692 ppm2=2.325

assign ( resid 96 and name H
  )
       ( resid 95 and name H
  ) 3.5 1.7 0.0 volume=1.133 peak=1256 ppm1=7.472 ppm2=7.336

assign ( resid 111 and name HA
  )
       ( resid 114 and name HD1#
  ) 2.8 1.1 0.0 volume=2.086 peak=552 ppm1=4.057 ppm2=0.865

assign ( resid 83 and name HG2#
  )
       ( resid 83 and name HA
  ) 3.5 1.8 0.0 volume=0.723 peak=550 ppm1=0.888 ppm2=3.310

assign ( resid 103 and name HG1#
  )
       ( resid 20 and name HB#
  ) 5.5 3.8 0.0 volume=0.330 peak=298 ppm1=0.839 ppm2=1.307

assign ( resid 96 and name H
  )
       ( resid 96 and name HG13
  ) 4.5 2.7 0.0 volume=0.972 peak=1165 ppm1=7.482 ppm2=1.653

assign ( resid 27 and name HE#
  )
       ( resid 24 and name HB2
  ) 4.5 2.7 0.0 volume=0.619 peak=39 ppm1=6.715 ppm2=1.774

assign ( resid 60 and name H
  )
       ( resid 60 and name HB3
  ) 5.5 3.7 0.0 volume=0.443 peak=734 ppm1=7.408 ppm2=3.956

assign ( resid 12 and name HB3
  )
       ( resid 12 and name HB2
  ) 3.5 1.8 0.0 volume=1.043 peak=177 ppm1=3.024 ppm2=2.479

assign ( resid 38 and name H
  )
       ( resid 37 and name H
  ) 3.5 1.7 0.0 volume=1.698 peak=730 ppm1=6.989 ppm2=7.414

assign ( resid 51 and name H
  )
       ( resid 50 and name HB2
  ) 2.8 1.0 0.0 volume=2.261 peak=708 ppm1=7.713 ppm2=1.952

assign ( resid 103 and name HG1#
  )
       ( resid 103 and name HB
  ) 3.5 1.8 0.0 volume=1.153 peak=640 ppm1=0.836 ppm2=2.151

assign ( resid 104 and name HA
  )
       ( resid 106 and name HB2
  ) 5.5 3.8 0.0 volume=0.408 peak=509 ppm1=3.905 ppm2=1.535

assign ( resid 38 and name H
  )
       ( resid 38 and name HA
  ) 4.5 2.7 0.0 volume=0.878 peak=1283 ppm1=7.001 ppm2=4.279

assign ( resid 103 and name HA
  )
       ( resid 103 and name HG1#
  ) 3.5 1.8 0.0 volume=0.817 peak=240 ppm1=3.291 ppm2=0.854

assign ( resid 87 and name H
  )
       ( resid 87 and name HA
  ) 4.5 2.7 0.0 volume=0.739 peak=839 ppm1=8.537 ppm2=3.871

assign ( resid 84 and name HA
  )
       ( resid 83 and name HG2#
  ) 3.5 1.8 0.0 volume=0.731 peak=433 ppm1=3.906 ppm2=0.871

assign ( resid 57 and name H
  )
       ( resid 56 and name HA
  ) 4.5 2.7 0.0 volume=0.666 peak=1061 ppm1=7.483 ppm2=4.159

assign ( resid 33 and name HD1#
  )
       ( resid 33 and name HG12
  ) 3.5 1.8 0.0 volume=1.120 peak=255 ppm1=0.778 ppm2=1.259

assign ( resid 13 and name H
  )
       ( resid 13 and name HA
  ) 4.5 2.7 0.0 volume=0.986 peak=1263 ppm1=8.304 ppm2=4.179

assign ( resid 92 and name HE21
  )
       ( resid 92 and name HG3
  ) 3.5 1.8 0.0 volume=0.200 peak=7 ppm1=7.945 ppm2=2.391

assign ( resid 79 and name H
  )
       ( resid 79 and name HD1#
  ) 4.5 2.7 0.0 volume=0.769 peak=1279 ppm1=9.242 ppm2=0.770

assign ( resid 100 and name H
  )
       ( resid 100 and name HA
  ) 4.5 2.7 0.0 volume=0.608 peak=988 ppm1=8.612 ppm2=3.749

assign ( resid 27 and name HD#
  )
       ( resid 28 and name HG
  ) 4.5 2.7 0.0 volume=0.548 peak=34 ppm1=7.016 ppm2=2.087

assign ( resid 32 and name HG13
  )
       ( resid 32 and name HB
  ) 5.5 3.8 0.0 volume=0.408 peak=192 ppm1=1.191 ppm2=1.777

assign ( resid 28 and name H
  )
       ( resid 28 and name HD2#
  ) 4.5 2.7 0.0 volume=0.878 peak=785 ppm1=9.306 ppm2=0.812

assign ( resid 33 and name HG2#
  )
       ( resid 65 and name HB#
  ) 3.5 1.8 0.0 volume=0.907 peak=224 ppm1=0.832 ppm2=1.615

assign ( resid 71 and name HE#
  )
       ( resid 71 and name HD#
  ) 2.8 1.0 0.0 volume=3.827 peak=64 ppm1=6.696 ppm2=7.187

assign ( resid 24 and name H
  )
       ( resid 24 and name HD1#
  ) 4.5 2.7 0.0 volume=0.924 peak=682 ppm1=7.713 ppm2=0.779

assign ( resid 73 and name HG3
  )
       ( resid 73 and name HG2
  ) 2.8 1.1 0.0 volume=1.863 peak=157 ppm1=2.544 ppm2=2.354

assign ( resid 43 and name H
  )
       ( resid 43 and name HA
  ) 4.5 2.7 0.0 volume=0.795 peak=727 ppm1=8.269 ppm2=4.082

assign ( resid 53 and name HD3
  )
       ( resid 53 and name HG2
  ) 3.5 1.8 0.0 volume=1.148 peak=100 ppm1=2.979 ppm2=1.680

assign ( resid 11 and name H
  )
       ( resid 11 and name HB2
  ) 2.8 1.0 0.0 volume=2.873 peak=1009 ppm1=8.594 ppm2=2.029

assign ( resid 19 and name H
  )
       ( resid 18 and name H
  ) 3.5 1.7 0.0 volume=1.224 peak=1054 ppm1=8.372 ppm2=7.812

assign ( resid 79 and name H
  )
       ( resid 79 and name HD2#
  ) 5.5 3.7 0.0 volume=0.462 peak=673 ppm1=9.241 ppm2=0.872

assign ( resid 52 and name HA
  )
       ( resid 52 and name HB
  ) 5.5 3.8 0.0 volume=0.352 peak=526 ppm1=3.285 ppm2=3.132

assign ( resid 65 and name HB#
  )
       ( resid 29 and name HB2
  ) 5.5 3.8 0.0 volume=0.308 peak=575 ppm1=1.610 ppm2=2.912

assign ( resid 42 and name H
  )
       ( resid 43 and name H
  ) 3.5 1.7 0.0 volume=1.193 peak=1142 ppm1=8.856 ppm2=8.273

assign ( resid 16 and name H
  )
       ( resid 15 and name HG2
  ) 3.5 1.7 0.0 volume=1.182 peak=748 ppm1=7.840 ppm2=2.281

assign ( resid 87 and name H
  )
       ( resid 86 and name HB
  ) 3.5 1.7 0.0 volume=1.650 peak=1147 ppm1=8.533 ppm2=1.772

assign ( resid 43 and name HB#
  )
       ( resid 43 and name HA
  ) 2.8 1.1 0.0 volume=1.725 peak=124 ppm1=1.501 ppm2=4.091

assign ( resid 103 and name HG2#
  )
       ( resid 103 and name HB
  ) 3.5 1.8 0.0 volume=1.027 peak=631 ppm1=0.954 ppm2=2.151

assign ( resid 76 and name HB2
  )
       ( resid 76 and name HG2
  ) 2.8 1.1 0.0 volume=1.401 peak=249 ppm1=2.480 ppm2=2.020

assign ( resid 73 and name HE21
  )
       ( resid 73 and name HE22
  ) 2.0 0.3 0.0 volume=1.178 peak=3 ppm1=7.701 ppm2=7.230

assign ( resid 11 and name H
  )
       ( resid 11 and name HG2
  ) 5.5 3.7 0.0 volume=0.477 peak=1002 ppm1=8.595 ppm2=2.262

assign ( resid 99 and name H
  )
       ( resid 98 and name HB2
  ) 4.5 2.7 0.0 volume=0.978 peak=983 ppm1=7.999 ppm2=1.998

assign ( resid 52 and name H
  )
       ( resid 47 and name HB3
  ) 5.5 3.7 0.0 volume=0.496 peak=912 ppm1=7.647 ppm2=1.291

assign ( resid 33 and name HG12
  )
       ( resid 33 and name HD1#
  ) 4.5 2.8 0.0 volume=0.534 peak=563 ppm1=1.268 ppm2=0.788

assign ( resid 111 and name H
  )
       ( resid 109 and name H
  ) 4.5 2.7 0.0 volume=0.817 peak=961 ppm1=8.109 ppm2=7.708

assign ( resid 99 and name HA
  )
       ( resid 99 and name HG13
  ) 5.5 3.8 0.0 volume=0.389 peak=559 ppm1=3.565 ppm2=1.931

assign ( resid 34 and name HB#
  )
       ( resid 32 and name HG12
  ) 3.5 1.8 0.0 volume=1.317 peak=77 ppm1=1.193 ppm2=1.386

assign ( resid 51 and name H
  )
       ( resid 50 and name HG3
  ) 5.5 3.7 0.0 volume=0.536 peak=1199 ppm1=7.726 ppm2=2.269

assign ( resid 46 and name H
  )
       ( resid 45 and name HB2
  ) 3.5 1.7 0.0 volume=1.218 peak=694 ppm1=8.244 ppm2=1.980

assign ( resid 63 and name HD2
  )
       ( resid 63 and name HE2
  ) 5.5 3.8 0.0 volume=0.328 peak=165 ppm1=1.504 ppm2=2.884

assign ( resid 103 and name H
  )
       ( resid 102 and name H
  ) 3.5 1.7 0.0 volume=1.280 peak=889 ppm1=8.044 ppm2=7.595

assign ( resid 31 and name H
  )
       ( resid 32 and name HB
  ) 4.5 2.7 0.0 volume=0.826 peak=907 ppm1=7.087 ppm2=1.788

assign ( resid 47 and name H
  )
       ( resid 46 and name H
  ) 2.8 1.0 0.0 volume=1.850 peak=1168 ppm1=6.506 ppm2=8.209

assign ( resid 96 and name HB
  )
       ( resid 96 and name HG2#
  ) 3.5 1.8 0.0 volume=0.746 peak=499 ppm1=2.001 ppm2=0.850

assign ( resid 108 and name HD22
  )
       ( resid 108 and name HB3
  ) 2.8 1.1 0.0 volume=0.308 peak=9 ppm1=6.810 ppm2=2.961

assign ( resid 23 and name HD21
  )
       ( resid 23 and name HD22
  ) 2.0 0.3 0.0 volume=1.295 peak=26 ppm1=8.385 ppm2=6.886

assign ( resid 102 and name H
  )
       ( resid 24 and name HD1#
  ) 5.5 3.7 0.0 volume=0.505 peak=1042 ppm1=7.593 ppm2=0.767

assign ( resid 35 and name H
  )
       ( resid 35 and name HB2
  ) 2.8 1.0 0.0 volume=1.865 peak=928 ppm1=9.863 ppm2=1.599

assign ( resid 60 and name H
  )
       ( resid 59 and name HA
  ) 5.5 3.7 0.0 volume=0.465 peak=862 ppm1=7.411 ppm2=4.151

assign ( resid 71 and name H
  )
       ( resid 70 and name HB3
  ) 5.5 3.7 0.0 volume=0.484 peak=856 ppm1=7.613 ppm2=2.468

assign ( resid 55 and name HA
  )
       ( resid 55 and name HG2#
  ) 5.5 3.8 0.0 volume=0.412 peak=507 ppm1=3.547 ppm2=0.828

assign ( resid 71 and name HD#
  )
       ( resid 47 and name HD1#
  ) 3.5 1.7 0.0 volume=0.701 peak=33 ppm1=7.186 ppm2=0.569

assign ( resid 97 and name HB3
  )
       ( resid 97 and name HB2
  ) 2.8 1.1 0.0 volume=3.331 peak=351 ppm1=2.175 ppm2=2.111

assign ( resid 70 and name HA
  )
       ( resid 70 and name HB3
  ) 5.5 3.8 0.0 volume=0.406 peak=183 ppm1=4.263 ppm2=2.490

assign ( resid 50 and name HA
  )
       ( resid 50 and name HG3
  ) 3.5 1.8 0.0 volume=0.711 peak=201 ppm1=3.921 ppm2=2.237

assign ( resid 64 and name HA
  )
       ( resid 64 and name HB3
  ) 5.5 3.8 0.0 volume=0.357 peak=347 ppm1=4.111 ppm2=1.452

assign ( resid 30 and name HG2
  )
       ( resid 30 and name HA
  ) 4.5 2.8 0.0 volume=0.456 peak=143 ppm1=2.389 ppm2=4.170

assign ( resid 69 and name HD2#
  )
       ( resid 68 and name HD1#
  ) 3.5 1.8 0.0 volume=0.891 peak=134 ppm1=0.838 ppm2=1.147

assign ( resid 32 and name HB
  )
       ( resid 28 and name HD2#
  ) 3.5 1.8 0.0 volume=0.841 peak=82 ppm1=1.788 ppm2=0.823

assign ( resid 15 and name H
  )
       ( resid 15 and name HA
  ) 5.5 3.7 0.0 volume=0.577 peak=715 ppm1=7.851 ppm2=4.069

assign ( resid 18 and name H
  )
       ( resid 17 and name H
  ) 4.5 2.7 0.0 volume=0.991 peak=1007 ppm1=7.825 ppm2=8.081

assign ( resid 41 and name HD2#
  )
       ( resid 41 and name HA
  ) 3.5 1.8 0.0 volume=1.007 peak=361 ppm1=0.823 ppm2=3.833

assign ( resid 77 and name HE3
  )
       ( resid 77 and name HB2
  ) 3.5 1.8 0.0 volume=1.196 peak=182 ppm1=2.966 ppm2=2.020

assign ( resid 57 and name H
  )
       ( resid 57 and name HB3
  ) 3.5 1.7 0.0 volume=1.313 peak=967 ppm1=7.480 ppm2=3.047

assign ( resid 16 and name HG2#
  )
       ( resid 106 and name HB3
  ) 2.8 1.1 0.0 volume=1.606 peak=511 ppm1=1.001 ppm2=1.977

assign ( resid 30 and name H
  )
       ( resid 29 and name HA
  ) 4.5 2.7 0.0 volume=0.995 peak=1051 ppm1=7.145 ppm2=4.126

assign ( resid 82 and name HD2#
  )
       ( resid 82 and name HA
  ) 3.5 1.8 0.0 volume=0.666 peak=443 ppm1=0.427 ppm2=4.021

assign ( resid 26 and name HG1#
  )
       ( resid 26 and name HA
  ) 3.5 1.8 0.0 volume=0.655 peak=594 ppm1=0.949 ppm2=3.547

assign ( resid 71 and name HE#
  )
       ( resid 55 and name H
  ) 4.5 2.7 0.0 volume=0.511 peak=73 ppm1=6.704 ppm2=8.184

assign ( resid 20 and name H
  )
       ( resid 20 and name HA
  ) 4.5 2.7 0.0 volume=0.760 peak=1029 ppm1=8.723 ppm2=3.909

assign ( resid 73 and name H
  )
       ( resid 73 and name HG3
  ) 4.5 2.7 0.0 volume=0.920 peak=937 ppm1=8.171 ppm2=2.528

assign ( resid 23 and name H
  )
       ( resid 22 and name H
  or resid 24 and name H
  ) 2.8 1.0 0.0 volume=2.057 peak=973 ppm1=8.804 ppm2=7.704

assign ( resid 97 and name HB2
  )
       ( resid 97 and name HG3
  ) 3.5 1.8 0.0 volume=1.153 peak=470 ppm1=2.091 ppm2=2.390

assign ( resid 107 and name H
  )
       ( resid 13 and name HB3
  ) 5.5 3.7 0.0 volume=0.581 peak=905 ppm1=9.067 ppm2=1.779

assign ( resid 86 and name HD1#
  )
       ( resid 32 and name HD1#
  ) 2.8 1.1 0.0 volume=1.932 peak=320 ppm1=0.455 ppm2=0.591

assign ( resid 69 and name HA
  )
       ( resid 69 and name HB3
  ) 3.5 1.8 0.0 volume=0.644 peak=400 ppm1=3.765 ppm2=1.963

assign ( resid 46 and name HD1#
  )
       ( resid 46 and name HG12
  ) 3.5 1.8 0.0 volume=0.894 peak=151 ppm1=0.553 ppm2=1.266

assign ( resid 32 and name HG13
  )
       ( resid 32 and name HG2#
  ) 4.5 2.8 0.0 volume=0.531 peak=236 ppm1=1.184 ppm2=0.621

assign ( resid 40 and name H
  )
       ( resid 41 and name H
  ) 5.5 3.7 0.0 volume=0.595 peak=1231 ppm1=9.027 ppm2=7.970

assign ( resid 26 and name H
  )
       ( resid 25 and name HB2
  ) 5.5 3.7 0.0 volume=0.595 peak=993 ppm1=8.496 ppm2=1.906

assign ( resid 14 and name HG2#
  )
       ( resid 14 and name HA
  ) 3.5 1.8 0.0 volume=0.688 peak=580 ppm1=1.301 ppm2=3.918

assign ( resid 52 and name HA
  )
       ( resid 55 and name HD1#
  ) 5.5 3.8 0.0 volume=0.413 peak=388 ppm1=3.287 ppm2=0.823

assign ( resid 81 and name HA
  )
       ( resid 81 and name HG2#
  ) 5.5 3.8 0.0 volume=0.376 peak=458 ppm1=4.037 ppm2=1.305

assign ( resid 49 and name HD2
  )
       ( resid 49 and name HB2
  ) 2.8 1.1 0.0 volume=2.465 peak=602 ppm1=3.141 ppm2=1.749

assign ( resid 52 and name HB
  )
       ( resid 52 and name HG2#
  ) 5.5 3.8 0.0 volume=0.340 peak=276 ppm1=3.112 ppm2=0.413

assign ( resid 21 and name HB2
  )
       ( resid 21 and name HD1#
  ) 3.5 1.8 0.0 volume=0.792 peak=120 ppm1=1.999 ppm2=0.796

assign ( resid 70 and name H
  )
       ( resid 70 and name HB3
  ) 3.5 1.7 0.0 volume=1.304 peak=1023 ppm1=7.904 ppm2=2.473

assign ( resid 75 and name HD22
  )
       ( resid 75 and name HD21
  ) 2.0 0.3 0.0 volume=1.062 peak=14 ppm1=7.170 ppm2=8.458

assign ( resid 111 and name H
  )
       ( resid 111 and name HB2
  ) 2.8 1.0 0.0 volume=3.402 peak=804 ppm1=8.114 ppm2=1.889

assign ( resid 65 and name HB#
  )
       ( resid 65 and name HA
  ) 3.5 1.8 0.0 volume=0.873 peak=551 ppm1=1.612 ppm2=3.904

assign ( resid 81 and name HG2#
  )
       ( resid 46 and name HD1#
  ) 3.5 1.8 0.0 volume=0.699 peak=606 ppm1=1.310 ppm2=0.575

assign ( resid 79 and name H
  )
       ( resid 79 and name HG
  ) 4.5 2.7 0.0 volume=0.821 peak=868 ppm1=9.239 ppm2=1.513

assign ( resid 47 and name H
  )
       ( resid 41 and name HD2#
  ) 4.5 2.7 0.0 volume=0.775 peak=798 ppm1=6.511 ppm2=0.823

assign ( resid 66 and name H
  )
       ( resid 63 and name HA
  ) 4.5 2.7 0.0 volume=0.791 peak=677 ppm1=8.327 ppm2=4.248

assign ( resid 82 and name HA
  )
       ( resid 82 and name HD2#
  ) 3.5 1.8 0.0 volume=0.747 peak=394 ppm1=4.021 ppm2=0.424

assign ( resid 36 and name H
  )
       ( resid 68 and name HD2#
  ) 4.5 2.7 0.0 volume=0.942 peak=1204 ppm1=7.315 ppm2=0.877

assign ( resid 96 and name H
  )
       ( resid 96 and name HG12
  ) 4.5 2.7 0.0 volume=0.636 peak=951 ppm1=7.475 ppm2=1.784

assign ( resid 31 and name H
  )
       ( resid 28 and name HB2
  ) 4.5 2.7 0.0 volume=0.841 peak=1218 ppm1=7.085 ppm2=1.222

assign ( resid 99 and name HD1#
  )
       ( resid 99 and name HG2#
  ) 2.8 1.1 0.0 volume=3.951 peak=167 ppm1=0.611 ppm2=0.748

assign ( resid 106 and name H
  )
       ( resid 105 and name H
  ) 2.8 1.0 0.0 volume=2.403 peak=1063 ppm1=8.143 ppm2=7.886

assign ( resid 79 and name HD2#
  )
       ( resid 21 and name HA
  ) 4.5 2.8 0.0 volume=0.506 peak=455 ppm1=0.870 ppm2=3.827

assign ( resid 32 and name HG2#
  )
       ( resid 69 and name HD2#
  ) 2.8 1.1 0.0 volume=2.359 peak=641 ppm1=0.650 ppm2=0.818

assign ( resid 106 and name H
  )
       ( resid 106 and name HA
  ) 3.5 1.7 0.0 volume=1.387 peak=1086 ppm1=8.150 ppm2=4.101

assign ( resid 106 and name HD1#
  )
       ( resid 106 and name HB3
  ) 2.8 1.1 0.0 volume=2.019 peak=103 ppm1=0.853 ppm2=1.979

assign ( resid 95 and name HD2#
  )
       ( resid 95 and name HA
  ) 3.5 1.8 0.0 volume=0.667 peak=657 ppm1=0.750 ppm2=3.978

assign ( resid 97 and name HE22
  )
       ( resid 97 and name HB3
  ) 2.8 1.1 0.0 volume=0.375 peak=17 ppm1=7.656 ppm2=2.175

assign ( resid 29 and name H
  )
       ( resid 29 and name HA
  ) 3.5 1.7 0.0 volume=1.230 peak=1025 ppm1=8.707 ppm2=4.149

assign ( resid 96 and name HG13
  )
       ( resid 96 and name HD1#
  ) 2.8 1.1 0.0 volume=1.771 peak=250 ppm1=1.668 ppm2=0.864

assign ( resid 112 and name H
  )
       ( resid 114 and name H
  ) 3.5 1.7 0.0 volume=1.205 peak=911 ppm1=7.830 ppm2=7.703

assign ( resid 22 and name H
  )
       ( resid 22 and name HB2
  ) 4.5 2.7 0.0 volume=0.961 peak=1056 ppm1=7.704 ppm2=2.169

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HB3
  ) 3.5 1.8 0.0 volume=0.863 peak=410 ppm1=1.376 ppm2=1.939

assign ( resid 39 and name HB2
  )
       ( resid 39 and name H
  ) 5.5 3.8 0.0 volume=0.363 peak=424 ppm1=2.693 ppm2=8.931

assign ( resid 47 and name HD1#
  )
       ( resid 47 and name HB2
  ) 3.5 1.8 0.0 volume=0.912 peak=218 ppm1=0.589 ppm2=1.041

assign ( resid 79 and name H
  )
       ( resid 78 and name H
  ) 5.5 3.7 0.0 volume=0.575 peak=696 ppm1=9.229 ppm2=8.868

assign ( resid 27 and name HD#
  )
       ( resid 28 and name HB2
  ) 3.5 1.7 0.0 volume=0.979 peak=59 ppm1=7.020 ppm2=1.195

assign ( resid 14 and name H
  )
       ( resid 11 and name HA
  ) 3.5 1.7 0.0 volume=1.177 peak=1115 ppm1=8.406 ppm2=4.119

assign ( resid 97 and name HB2
  )
       ( resid 97 and name HA
  ) 5.5 3.8 0.0 volume=0.350 peak=543 ppm1=2.096 ppm2=3.966

assign ( resid 109 and name H
  )
       ( resid 109 and name HG2#
  ) 3.5 1.7 0.0 volume=1.411 peak=1195 ppm1=7.752 ppm2=0.885

assign ( resid 73 and name HE21
  )
       ( resid 18 and name HE2
  ) 2.8 1.1 0.0 volume=0.443 peak=15 ppm1=7.696 ppm2=2.395

assign ( resid 86 and name H
  )
       ( resid 86 and name HG12
  ) 3.5 1.7 0.0 volume=1.499 peak=786 ppm1=8.697 ppm2=1.672

assign ( resid 113 and name HB2
  )
       ( resid 113 and name HB3
  ) 2.8 1.1 0.0 volume=2.029 peak=379 ppm1=3.397 ppm2=3.197

assign ( resid 14 and name H
  )
       ( resid 13 and name HB3
  ) 4.5 2.7 0.0 volume=0.792 peak=1179 ppm1=8.405 ppm2=1.776

assign ( resid 76 and name HD3
  )
       ( resid 76 and name HD2
  ) 3.5 1.8 0.0 volume=1.101 peak=171 ppm1=3.942 ppm2=3.704

assign ( resid 31 and name H
  )
       ( resid 28 and name HB3
  ) 5.5 3.7 0.0 volume=0.523 peak=1058 ppm1=7.088 ppm2=2.019

assign ( resid 106 and name HD2#
  )
       ( resid 106 and name HG
  ) 4.5 2.8 0.0 volume=0.562 peak=450 ppm1=0.963 ppm2=1.987

assign ( resid 59 and name HG2#
  )
       ( resid 64 and name HG2
  ) 3.5 1.8 0.0 volume=0.742 peak=266 ppm1=1.325 ppm2=0.875

assign ( resid 82 and name HD1#
  )
       ( resid 81 and name HG2#
  ) 5.5 3.8 0.0 volume=0.430 peak=109 ppm1=0.599 ppm2=1.317

assign ( resid 46 and name HD1#
  )
       ( resid 46 and name HA
  ) 3.5 1.8 0.0 volume=0.935 peak=228 ppm1=0.553 ppm2=3.923

assign ( resid 79 and name HD1#
  )
       ( resid 80 and name HA
  ) 5.5 3.8 0.0 volume=0.413 peak=520 ppm1=0.777 ppm2=4.134

assign ( resid 92 and name HE22
  )
       ( resid 92 and name HG3
  ) 2.8 1.1 0.0 volume=0.368 peak=5 ppm1=6.802 ppm2=2.408

assign ( resid 18 and name H
  )
       ( resid 18 and name HB2
  ) 2.8 1.0 0.0 volume=3.383 peak=896 ppm1=7.819 ppm2=2.025

assign ( resid 52 and name H
  )
       ( resid 52 and name HB
  ) 5.5 3.7 0.0 volume=0.521 peak=1107 ppm1=7.644 ppm2=3.145

assign ( resid 99 and name HD1#
  )
       ( resid 99 and name HB
  ) 3.5 1.8 0.0 volume=0.806 peak=588 ppm1=0.608 ppm2=1.779

assign ( resid 27 and name HE#
  )
       ( resid 27 and name HD#
  ) 2.8 1.0 0.0 volume=3.986 peak=50 ppm1=6.709 ppm2=7.008

assign ( resid 72 and name HB3
  )
       ( resid 72 and name HD2#
  ) 4.5 2.8 0.0 volume=0.490 peak=128 ppm1=1.047 ppm2=0.784

assign ( resid 95 and name HA
  )
       ( resid 99 and name HG13
  ) 5.5 3.8 0.0 volume=0.371 peak=305 ppm1=3.981 ppm2=1.948

assign ( resid 97 and name HA
  )
       ( resid 97 and name HB3
  ) 3.5 1.8 0.0 volume=1.036 peak=144 ppm1=3.940 ppm2=2.150

assign ( resid 82 and name HD2#
  )
       ( resid 82 and name HG
  ) 3.5 1.8 0.0 volume=1.205 peak=537 ppm1=0.425 ppm2=1.352

assign ( resid 38 and name HB2
  )
       ( resid 38 and name HD#
  ) 5.5 3.8 0.0 volume=0.290 peak=106 ppm1=3.285 ppm2=7.105

assign ( resid 70 and name H
  )
       ( resid 68 and name HA
  ) 3.5 1.7 0.0 volume=1.020 peak=996 ppm1=7.896 ppm2=4.232

assign ( resid 33 and name HB
  )
       ( resid 33 and name HG2#
  ) 4.5 2.8 0.0 volume=0.596 peak=374 ppm1=1.919 ppm2=0.806

assign ( resid 89 and name H
  )
       ( resid 89 and name HB3
  ) 3.5 1.7 0.0 volume=1.080 peak=701 ppm1=7.994 ppm2=2.305

assign ( resid 34 and name HA
  )
       ( resid 34 and name HB#
  ) 4.5 2.8 0.0 volume=0.579 peak=558 ppm1=3.534 ppm2=1.202

assign ( resid 46 and name HA
  )
       ( resid 46 and name HD1#
  ) 3.5 1.8 0.0 volume=0.704 peak=281 ppm1=3.912 ppm2=0.567

assign ( resid 65 and name HB#
  )
       ( resid 33 and name HG2#
  ) 5.5 3.8 0.0 volume=0.362 peak=521 ppm1=1.609 ppm2=0.824

assign ( resid 75 and name HB2
  )
       ( resid 75 and name HB3
  ) 3.5 1.8 0.0 volume=1.233 peak=113 ppm1=2.798 ppm2=2.545

assign ( resid 82 and name HD2#
  )
       ( resid 41 and name HD2#
  ) 2.8 1.1 0.0 volume=1.849 peak=413 ppm1=0.426 ppm2=0.822

assign ( resid 99 and name H
  )
       ( resid 99 and name HG13
  ) 3.5 1.7 0.0 volume=1.110 peak=1242 ppm1=8.004 ppm2=1.962

assign ( resid 34 and name HA
  )
       ( resid 32 and name HG2#
  ) 5.5 3.8 0.0 volume=0.418 peak=493 ppm1=3.539 ppm2=0.641

assign ( resid 34 and name HB#
  )
       ( resid 34 and name HA
  ) 3.5 1.8 0.0 volume=1.299 peak=405 ppm1=1.195 ppm2=3.541

assign ( resid 108 and name H
  )
       ( resid 109 and name H
  ) 3.5 1.7 0.0 volume=1.175 peak=833 ppm1=8.141 ppm2=7.749

assign ( resid 67 and name H
  )
       ( resid 68 and name H
  ) 3.5 1.7 0.0 volume=1.515 peak=829 ppm1=7.718 ppm2=8.105

assign ( resid 96 and name HA
  )
       ( resid 96 and name HD1#
  ) 3.5 1.8 0.0 volume=0.828 peak=418 ppm1=3.356 ppm2=0.854

assign ( resid 86 and name HD1#
  )
       ( resid 83 and name HA
  ) 5.5 3.8 0.0 volume=0.364 peak=198 ppm1=0.449 ppm2=3.298

assign ( resid 68 and name HD2#
  )
       ( resid 68 and name HB2
  ) 3.5 1.8 0.0 volume=1.084 peak=229 ppm1=0.841 ppm2=1.909

assign ( resid 22 and name H
  )
       ( resid 22 and name HG2
  ) 3.5 1.7 0.0 volume=1.013 peak=689 ppm1=7.711 ppm2=2.300

assign ( resid 94 and name HD#
  )
       ( resid 95 and name HD1#
  ) 4.5 2.7 0.0 volume=0.431 peak=46 ppm1=7.345 ppm2=0.608

assign ( resid 73 and name H
  )
       ( resid 72 and name HB2
  ) 4.5 2.7 0.0 volume=0.705 peak=1264 ppm1=8.156 ppm2=2.131

assign ( resid 68 and name HG
  )
       ( resid 82 and name HD1#
  ) 3.5 1.8 0.0 volume=1.216 peak=553 ppm1=1.040 ppm2=0.581

assign ( resid 80 and name H
  )
       ( resid 79 and name HB2
  ) 3.5 1.7 0.0 volume=1.057 peak=760 ppm1=8.729 ppm2=1.666

assign ( resid 44 and name H
  )
       ( resid 44 and name HD2
  ) 4.5 2.7 0.0 volume=0.996 peak=800 ppm1=7.390 ppm2=1.115

assign ( resid 95 and name HD1#
  )
       ( resid 95 and name HB3
  ) 2.8 1.1 0.0 volume=2.294 peak=348 ppm1=0.609 ppm2=0.894

assign ( resid 106 and name H
  )
       ( resid 107 and name H
  ) 4.5 2.7 0.0 volume=0.771 peak=709 ppm1=8.157 ppm2=9.078

assign ( resid 51 and name H
  )
       ( resid 50 and name H
  ) 4.5 2.7 0.0 volume=0.603 peak=869 ppm1=7.704 ppm2=8.607

assign ( resid 110 and name HG3
  )
       ( resid 110 and name HA
  ) 4.5 2.8 0.0 volume=0.464 peak=510 ppm1=1.458 ppm2=4.063

assign ( resid 103 and name H
  )
       ( resid 104 and name HD2#
  ) 3.5 1.7 0.0 volume=1.664 peak=754 ppm1=8.043 ppm2=0.911

assign ( resid 68 and name H
  )
       ( resid 66 and name H
  ) 5.5 3.7 0.0 volume=0.494 peak=688 ppm1=8.086 ppm2=8.334

assign ( resid 63 and name HA
  )
       ( resid 67 and name HB2
  ) 5.5 3.8 0.0 volume=0.325 peak=637 ppm1=4.254 ppm2=1.866

assign ( resid 73 and name HE22
  )
       ( resid 73 and name HE21
  ) 2.0 0.3 0.0 volume=1.461 peak=6 ppm1=7.227 ppm2=7.712

assign ( resid 67 and name H
  )
       ( resid 68 and name HB2
  ) 2.8 1.0 0.0 volume=2.882 peak=892 ppm1=7.716 ppm2=1.879

assign ( resid 69 and name H
  )
       ( resid 69 and name HA
  ) 4.5 2.7 0.0 volume=0.954 peak=1203 ppm1=8.395 ppm2=3.775

assign ( resid 75 and name HA
  )
       ( resid 76 and name HD3
  ) 3.5 1.8 0.0 volume=0.826 peak=416 ppm1=5.267 ppm2=3.936

assign ( resid 41 and name H
  )
       ( resid 40 and name HB2
  ) 4.5 2.7 0.0 volume=0.715 peak=1235 ppm1=7.940 ppm2=3.184

assign ( resid 70 and name H
  )
       ( resid 70 and name HB2
  ) 3.5 1.7 0.0 volume=1.292 peak=805 ppm1=7.897 ppm2=2.893

assign ( resid 95 and name HD2#
  )
       ( resid 95 and name HD1#
  ) 2.8 1.1 0.0 volume=2.592 peak=315 ppm1=0.760 ppm2=0.639

assign ( resid 19 and name HB3
  )
       ( resid 19 and name HB2
  ) 2.8 1.1 0.0 volume=2.376 peak=133 ppm1=2.866 ppm2=2.565

assign ( resid 97 and name H
  )
       ( resid 96 and name H
  ) 3.5 1.7 0.0 volume=1.119 peak=755 ppm1=7.744 ppm2=7.485

assign ( resid 106 and name HD1#
  )
       ( resid 106 and name HA
  ) 2.8 1.1 0.0 volume=1.563 peak=484 ppm1=0.855 ppm2=4.104

assign ( resid 13 and name HA
  )
       ( resid 16 and name HG2#
  ) 5.5 3.8 0.0 volume=0.446 peak=292 ppm1=4.157 ppm2=1.015

assign ( resid 79 and name HD2#
  )
       ( resid 69 and name HB2
  ) 3.5 1.8 0.0 volume=0.626 peak=480 ppm1=0.863 ppm2=1.404

assign ( resid 45 and name HB2
  )
       ( resid 45 and name HD2
  ) 3.5 1.8 0.0 volume=0.685 peak=655 ppm1=1.975 ppm2=1.743

assign ( resid 39 and name HA
  )
       ( resid 39 and name HB2
  ) 4.5 2.8 0.0 volume=0.486 peak=174 ppm1=4.314 ppm2=2.699

assign ( resid 89 and name H
  )
       ( resid 89 and name HG3
  ) 4.5 2.7 0.0 volume=0.681 peak=669 ppm1=7.995 ppm2=2.376

assign ( resid 65 and name HB#
  )
       ( resid 29 and name HA
  ) 3.5 1.8 0.0 volume=1.086 peak=164 ppm1=1.617 ppm2=4.137

assign ( resid 96 and name H
  )
       ( resid 96 and name HB
  ) 3.5 1.7 0.0 volume=1.294 peak=1167 ppm1=7.480 ppm2=2.038

assign ( resid 53 and name HG3
  )
       ( resid 53 and name HB3
  ) 3.5 1.8 0.0 volume=0.848 peak=123 ppm1=1.614 ppm2=1.992

assign ( resid 93 and name H
  )
       ( resid 93 and name HB3
  ) 3.5 1.7 0.0 volume=1.152 peak=744 ppm1=8.259 ppm2=2.872

assign ( resid 34 and name HB#
  )
       ( resid 32 and name HG2#
  ) 4.5 2.8 0.0 volume=0.523 peak=362 ppm1=1.194 ppm2=0.616

assign ( resid 97 and name H
  )
       ( resid 95 and name H
  ) 5.5 3.7 0.0 volume=0.398 peak=1194 ppm1=7.725 ppm2=7.338

assign ( resid 32 and name H
  )
       ( resid 32 and name HG2#
  ) 3.5 1.7 0.0 volume=1.088 peak=980 ppm1=8.264 ppm2=0.642

assign ( resid 73 and name H
  )
       ( resid 72 and name HD1#
  ) 5.5 3.7 0.0 volume=0.470 peak=1103 ppm1=8.149 ppm2=0.630

assign ( resid 20 and name HB#
  )
       ( resid 17 and name HA
  ) 3.5 1.8 0.0 volume=0.775 peak=190 ppm1=1.333 ppm2=3.808

assign ( resid 46 and name H
  )
       ( resid 45 and name HG3
  ) 4.5 2.7 0.0 volume=0.887 peak=670 ppm1=8.241 ppm2=1.223

assign ( resid 109 and name HG2#
  )
       ( resid 109 and name HB
  ) 2.8 1.1 0.0 volume=1.873 peak=572 ppm1=0.900 ppm2=1.849

assign ( resid 88 and name H
  )
       ( resid 88 and name HG3
  ) 3.5 1.7 0.0 volume=1.112 peak=1270 ppm1=7.778 ppm2=1.664

assign ( resid 39 and name H
  )
       ( resid 38 and name HB2
  ) 3.5 1.7 0.0 volume=1.452 peak=1075 ppm1=8.934 ppm2=3.287

assign ( resid 91 and name H
  )
       ( resid 90 and name HB3
  ) 5.5 3.7 0.0 volume=0.445 peak=721 ppm1=8.435 ppm2=1.956

assign ( resid 47 and name HB3
  )
       ( resid 47 and name HB2
  ) 4.5 2.8 0.0 volume=0.492 peak=289 ppm1=1.275 ppm2=1.020

assign ( resid 83 and name HG2#
  )
       ( resid 83 and name HB
  ) 3.5 1.8 0.0 volume=1.111 peak=209 ppm1=0.893 ppm2=2.207

assign ( resid 71 and name H
  )
       ( resid 70 and name H
  ) 3.5 1.7 0.0 volume=1.096 peak=1079 ppm1=7.603 ppm2=7.867

assign ( resid 76 and name HB3
  )
       ( resid 76 and name HA
  ) 4.5 2.8 0.0 volume=0.521 peak=570 ppm1=1.999 ppm2=4.467

assign ( resid 21 and name H
  )
       ( resid 20 and name H
  ) 4.5 2.7 0.0 volume=0.856 peak=1071 ppm1=7.674 ppm2=8.736

assign ( resid 19 and name H
  )
       ( resid 18 and name HB2
  ) 2.8 1.0 0.0 volume=1.777 peak=1087 ppm1=8.378 ppm2=2.027

assign ( resid 104 and name HD1#
  )
       ( resid 104 and name HA
  ) 3.5 1.8 0.0 volume=0.727 peak=500 ppm1=0.858 ppm2=3.924

assign ( resid 87 and name HD2
  )
       ( resid 87 and name HB2
  ) 3.5 1.8 0.0 volume=1.017 peak=328 ppm1=3.261 ppm2=1.894

assign ( resid 17 and name HA
  )
       ( resid 106 and name HG
  ) 5.5 3.8 0.0 volume=0.407 peak=428 ppm1=3.791 ppm2=1.967

assign ( resid 71 and name HA
  )
       ( resid 71 and name HB2
  ) 4.5 2.8 0.0 volume=0.569 peak=329 ppm1=4.251 ppm2=2.969

assign ( resid 18 and name H
  )
       ( resid 18 and name HA
  ) 3.5 1.7 0.0 volume=1.352 peak=758 ppm1=7.820 ppm2=4.161

assign ( resid 41 and name H
  )
       ( resid 40 and name HB3
  ) 4.5 2.7 0.0 volume=0.767 peak=910 ppm1=7.940 ppm2=3.038

assign ( resid 115 and name HE3
  )
       ( resid 115 and name HD3
  ) 2.8 1.1 0.0 volume=4.796 peak=623 ppm1=2.966 ppm2=1.672

assign ( resid 114 and name HA
  )
       ( resid 114 and name HD1#
  ) 4.5 2.8 0.0 volume=0.469 peak=596 ppm1=4.338 ppm2=0.854

assign ( resid 72 and name H
  )
       ( resid 71 and name HB2
  ) 4.5 2.7 0.0 volume=0.803 peak=921 ppm1=8.320 ppm2=2.981

assign ( resid 83 and name HG1#
  )
       ( resid 80 and name HA
  ) 5.5 3.8 0.0 volume=0.316 peak=185 ppm1=0.993 ppm2=4.126

assign ( resid 72 and name H
  )
       ( resid 72 and name HA
  ) 4.5 2.7 0.0 volume=0.609 peak=1015 ppm1=8.324 ppm2=3.950

assign ( resid 87 and name HA
  )
       ( resid 96 and name HG2#
  ) 2.8 1.1 0.0 volume=1.413 peak=384 ppm1=3.883 ppm2=0.841

assign ( resid 40 and name H
  )
       ( resid 39 and name HB3
  ) 3.5 1.7 0.0 volume=1.313 peak=787 ppm1=9.014 ppm2=2.740

assign ( resid 39 and name HB3
  )
       ( resid 39 and name HA
  ) 4.5 2.8 0.0 volume=0.555 peak=97 ppm1=2.730 ppm2=4.313

assign ( resid 113 and name HB2
  )
       ( resid 113 and name HA
  ) 5.5 3.8 0.0 volume=0.310 peak=284 ppm1=3.401 ppm2=4.656

assign ( resid 102 and name HB2
  )
       ( resid 102 and name HB3
  ) 2.8 1.1 0.0 volume=4.250 peak=516 ppm1=2.026 ppm2=2.255

assign ( resid 47 and name HB3
  )
       ( resid 47 and name HD2#
  ) 5.5 3.8 0.0 volume=0.311 peak=231 ppm1=1.257 ppm2=0.581

assign ( resid 20 and name H
  )
       ( resid 21 and name H
  ) 3.5 1.7 0.0 volume=1.281 peak=918 ppm1=8.728 ppm2=7.678

assign ( resid 99 and name H
  )
       ( resid 99 and name HB
  ) 2.8 1.0 0.0 volume=1.739 peak=751 ppm1=8.000 ppm2=1.758

assign ( resid 32 and name HG2#
  )
       ( resid 32 and name HG13
  ) 3.5 1.8 0.0 volume=0.643 peak=282 ppm1=0.649 ppm2=1.189

assign ( resid 106 and name HB3
  )
       ( resid 13 and name HB3
  ) 5.5 3.8 0.0 volume=0.331 peak=221 ppm1=1.977 ppm2=1.789

assign ( resid 83 and name HB
  )
       ( resid 80 and name HA
  ) 5.5 3.8 0.0 volume=0.403 peak=372 ppm1=2.201 ppm2=4.127

assign ( resid 99 and name H
  )
       ( resid 99 and name HG2#
  ) 3.5 1.7 0.0 volume=1.564 peak=1293 ppm1=8.005 ppm2=0.735

assign ( resid 86 and name H
  )
       ( resid 86 and name HB
  ) 3.5 1.7 0.0 volume=1.337 peak=897 ppm1=8.701 ppm2=1.785

assign ( resid 89 and name HB3
  )
       ( resid 92 and name HB3
  ) 5.5 3.8 0.0 volume=0.409 peak=610 ppm1=2.280 ppm2=1.865

assign ( resid 75 and name H
  )
       ( resid 75 and name HB2
  ) 4.5 2.7 0.0 volume=0.810 peak=1201 ppm1=7.485 ppm2=2.791

assign ( resid 17 and name HA
  )
       ( resid 20 and name HB#
  ) 3.5 1.8 0.0 volume=0.634 peak=471 ppm1=3.785 ppm2=1.300

assign ( resid 32 and name H
  )
       ( resid 31 and name HB2
  ) 2.8 1.0 0.0 volume=2.602 peak=1041 ppm1=8.260 ppm2=1.769

assign ( resid 72 and name HA
  )
       ( resid 72 and name HG
  ) 4.5 2.8 0.0 volume=0.462 peak=321 ppm1=3.925 ppm2=1.011

assign ( resid 40 and name H
  )
       ( resid 40 and name HB2
  ) 3.5 1.7 0.0 volume=1.114 peak=753 ppm1=9.011 ppm2=3.230

assign ( resid 49 and name HB2
  )
       ( resid 49 and name HA
  ) 4.5 2.8 0.0 volume=0.507 peak=101 ppm1=1.752 ppm2=3.839

assign ( resid 69 and name HB2
  )
       ( resid 79 and name HD1#
  ) 4.5 2.8 0.0 volume=0.495 peak=589 ppm1=1.367 ppm2=0.790

assign ( resid 34 and name HB#
  )
       ( resid 68 and name HB3
  ) 3.5 1.8 0.0 volume=1.004 peak=532 ppm1=1.198 ppm2=1.540

assign ( resid 32 and name H
  )
       ( resid 29 and name HA
  ) 4.5 2.7 0.0 volume=0.640 peak=1090 ppm1=8.260 ppm2=4.158

assign ( resid 73 and name HA
  )
       ( resid 73 and name HG2
  ) 3.5 1.8 0.0 volume=0.714 peak=581 ppm1=4.204 ppm2=2.327

assign ( resid 87 and name H
  )
       ( resid 96 and name HG2#
  ) 3.5 1.7 0.0 volume=1.159 peak=699 ppm1=8.535 ppm2=0.837

assign ( resid 79 and name HD1#
  )
       ( resid 82 and name HD2#
  ) 5.5 3.8 0.0 volume=0.357 peak=163 ppm1=0.776 ppm2=0.427

assign ( resid 34 and name H
  )
       ( resid 34 and name HB#
  ) 3.5 1.7 0.0 volume=1.473 peak=1120 ppm1=8.574 ppm2=1.214

assign ( resid 27 and name H
  )
       ( resid 27 and name HB3
  ) 3.5 1.7 0.0 volume=1.572 peak=1137 ppm1=7.900 ppm2=3.198

assign ( resid 73 and name HE21
  )
       ( resid 73 and name HG3
  ) 2.8 1.1 0.0 volume=0.370 peak=13 ppm1=7.693 ppm2=2.525

assign ( resid 83 and name H
  )
       ( resid 82 and name HD1#
  ) 5.5 3.7 0.0 volume=0.486 peak=778 ppm1=8.371 ppm2=0.605

assign ( resid 21 and name H
  )
       ( resid 20 and name HB#
  ) 3.5 1.7 0.0 volume=1.017 peak=1253 ppm1=7.658 ppm2=1.307

assign ( resid 88 and name HG3
  )
       ( resid 88 and name HA
  ) 4.5 2.8 0.0 volume=0.451 peak=367 ppm1=1.688 ppm2=4.018

assign ( resid 80 and name HB3
  )
       ( resid 80 and name HA
  ) 5.5 3.8 0.0 volume=0.441 peak=88 ppm1=2.689 ppm2=4.135

assign ( resid 47 and name H
  )
       ( resid 47 and name HD2#
  ) 5.5 3.7 0.0 volume=0.592 peak=827 ppm1=6.498 ppm2=0.594

assign ( resid 75 and name H
  )
       ( resid 74 and name HB3
  ) 5.5 3.7 0.0 volume=0.494 peak=1135 ppm1=7.482 ppm2=2.015

assign ( resid 29 and name H
  )
       ( resid 30 and name HB3
  ) 5.5 3.7 0.0 volume=0.564 peak=1131 ppm1=8.697 ppm2=2.114

assign ( resid 47 and name HD1#
  )
       ( resid 68 and name HB3
  ) 5.5 3.8 0.0 volume=0.424 peak=196 ppm1=0.588 ppm2=1.533

assign ( resid 41 and name HD2#
  )
       ( resid 41 and name HB2
  ) 3.5 1.8 0.0 volume=1.030 peak=349 ppm1=0.844 ppm2=1.967

assign ( resid 94 and name HB2
  )
       ( resid 94 and name HA
  ) 5.5 3.8 0.0 volume=0.323 peak=303 ppm1=2.964 ppm2=4.515

assign ( resid 51 and name HA
  )
       ( resid 54 and name HG3
  ) 3.5 1.8 0.0 volume=0.863 peak=345 ppm1=4.169 ppm2=2.293

assign ( resid 63 and name H
  )
       ( resid 62 and name HG3
  ) 4.5 2.7 0.0 volume=0.863 peak=975 ppm1=7.727 ppm2=1.601

assign ( resid 79 and name HD1#
  )
       ( resid 21 and name HA
  ) 5.5 3.8 0.0 volume=0.436 peak=168 ppm1=0.777 ppm2=3.798

assign ( resid 83 and name H
  )
       ( resid 83 and name HB
  ) 2.8 1.0 0.0 volume=2.004 peak=984 ppm1=8.370 ppm2=2.201

assign ( resid 76 and name HD2
  )
       ( resid 76 and name HG2
  ) 3.5 1.8 0.0 volume=1.048 peak=525 ppm1=3.718 ppm2=2.037

assign ( resid 55 and name HG2#
  )
       ( resid 52 and name HA
  ) 5.5 3.8 0.0 volume=0.424 peak=359 ppm1=0.806 ppm2=3.292

assign ( resid 45 and name H
  )
       ( resid 45 and name HA
  ) 2.8 1.0 0.0 volume=2.146 peak=845 ppm1=7.819 ppm2=3.790

assign ( resid 53 and name H
  )
       ( resid 53 and name HG3
  ) 5.5 3.7 0.0 volume=0.503 peak=797 ppm1=7.556 ppm2=1.665

assign ( resid 65 and name H
  )
       ( resid 35 and name HG3
  ) 4.5 2.7 0.0 volume=0.863 peak=752 ppm1=8.322 ppm2=2.192

assign ( resid 31 and name H
  )
       ( resid 32 and name H
  ) 3.5 1.7 0.0 volume=1.560 peak=923 ppm1=7.088 ppm2=8.256

assign ( resid 84 and name H
  )
       ( resid 85 and name H
  ) 3.5 1.7 0.0 volume=1.092 peak=822 ppm1=7.562 ppm2=7.950

assign ( resid 10 and name HG2
  )
       ( resid 10 and name HA
  ) 3.5 1.8 0.0 volume=1.037 peak=644 ppm1=2.317 ppm2=4.097

assign ( resid 24 and name HD1#
  )
       ( resid 99 and name HA
  ) 5.5 3.8 0.0 volume=0.355 peak=503 ppm1=0.786 ppm2=3.563

assign ( resid 13 and name H
  )
       ( resid 12 and name HB3
  ) 4.5 2.7 0.0 volume=0.676 peak=1222 ppm1=8.302 ppm2=3.025

assign ( resid 26 and name H
  )
       ( resid 25 and name H
  ) 4.5 2.7 0.0 volume=0.691 peak=1157 ppm1=8.488 ppm2=7.544

assign ( resid 22 and name H
  )
       ( resid 22 and name HB3
  ) 4.5 2.7 0.0 volume=0.680 peak=1146 ppm1=7.705 ppm2=2.207

assign ( resid 59 and name HG2#
  )
       ( resid 59 and name HA
  ) 3.5 1.8 0.0 volume=0.848 peak=411 ppm1=1.322 ppm2=4.152

assign ( resid 12 and name H
  )
       ( resid 13 and name H
  ) 4.5 2.7 0.0 volume=0.890 peak=672 ppm1=8.016 ppm2=8.304

assign ( resid 60 and name HB3
  )
       ( resid 60 and name HA
  ) 3.5 1.8 0.0 volume=1.038 peak=492 ppm1=3.973 ppm2=4.320

assign ( resid 27 and name HE#
  )
       ( resid 24 and name HD1#
  ) 2.8 1.0 0.0 volume=3.004 peak=60 ppm1=6.707 ppm2=0.763

assign ( resid 84 and name H
  )
       ( resid 83 and name HG2#
  ) 5.5 3.7 0.0 volume=0.416 peak=963 ppm1=7.563 ppm2=0.880

assign ( resid 64 and name HB3
  )
       ( resid 35 and name HG3
  ) 3.5 1.8 0.0 volume=0.698 peak=389 ppm1=1.464 ppm2=2.200

assign ( resid 21 and name H
  )
       ( resid 21 and name HB3
  ) 3.5 1.7 0.0 volume=1.367 peak=1153 ppm1=7.665 ppm2=1.437

assign ( resid 13 and name H
  )
       ( resid 13 and name HB2
  ) 2.8 1.0 0.0 volume=1.915 peak=1198 ppm1=8.301 ppm2=1.720

assign ( resid 84 and name HB3
  )
       ( resid 84 and name HA
  ) 5.5 3.8 0.0 volume=0.357 peak=380 ppm1=2.318 ppm2=3.925

assign ( resid 62 and name HB3
  )
       ( resid 62 and name HD3
  ) 5.5 3.8 0.0 volume=0.408 peak=571 ppm1=1.793 ppm2=3.169

assign ( resid 57 and name H
  )
       ( resid 57 and name HA
  ) 4.5 2.7 0.0 volume=0.767 peak=775 ppm1=7.478 ppm2=4.496

assign ( resid 53 and name H
  )
       ( resid 56 and name H
  ) 5.5 3.7 0.0 volume=0.574 peak=810 ppm1=7.562 ppm2=8.216

assign ( resid 56 and name H
  )
       ( resid 53 and name HA
  ) 4.5 2.7 0.0 volume=0.848 peak=1098 ppm1=8.227 ppm2=4.005

assign ( resid 97 and name H
  )
       ( resid 97 and name HB3
  ) 2.8 1.0 0.0 volume=1.750 peak=739 ppm1=7.738 ppm2=2.171

assign ( resid 102 and name HG2
  )
       ( resid 98 and name HG3
  ) 5.5 3.8 0.0 volume=0.418 peak=568 ppm1=2.304 ppm2=1.339

assign ( resid 32 and name HA
  )
       ( resid 32 and name HG2#
  ) 3.5 1.8 0.0 volume=0.624 peak=357 ppm1=4.047 ppm2=0.629

assign ( resid 97 and name H
  )
       ( resid 96 and name HA
  ) 5.5 3.7 0.0 volume=0.385 peak=1196 ppm1=7.736 ppm2=3.350

assign ( resid 38 and name HD#
  )
       ( resid 38 and name H
  ) 4.5 2.7 0.0 volume=0.680 peak=65 ppm1=7.076 ppm2=6.971

assign ( resid 18 and name H
  )
       ( resid 19 and name H
  ) 3.5 1.7 0.0 volume=1.101 peak=1225 ppm1=7.825 ppm2=8.391

assign ( resid 17 and name H
  )
       ( resid 103 and name HG2#
  ) 3.5 1.7 0.0 volume=1.558 peak=1106 ppm1=8.107 ppm2=0.942

assign ( resid 36 and name H
  )
       ( resid 36 and name HB3
  ) 3.5 1.7 0.0 volume=1.196 peak=799 ppm1=7.311 ppm2=1.342

assign ( resid 15 and name HA
  )
       ( resid 15 and name HB2
  ) 3.5 1.8 0.0 volume=1.126 peak=468 ppm1=4.029 ppm2=2.196

assign ( resid 77 and name H
  )
       ( resid 76 and name HA
  ) 4.5 2.7 0.0 volume=0.702 peak=705 ppm1=8.600 ppm2=4.487

assign ( resid 107 and name H
  )
       ( resid 106 and name HB2
  ) 4.5 2.7 0.0 volume=0.906 peak=945 ppm1=9.063 ppm2=1.564

assign ( resid 96 and name HG2#
  )
       ( resid 96 and name HG13
  ) 3.5 1.8 0.0 volume=0.605 peak=81 ppm1=0.846 ppm2=1.648

assign ( resid 100 and name HG2#
  )
       ( resid 99 and name HB
  ) 5.5 3.8 0.0 volume=0.261 peak=586 ppm1=1.236 ppm2=1.751

assign ( resid 65 and name HB#
  )
       ( resid 32 and name HG2#
  ) 4.5 2.8 0.0 volume=0.513 peak=545 ppm1=1.614 ppm2=0.634

assign ( resid 82 and name H
  )
       ( resid 81 and name H
  ) 4.5 2.7 0.0 volume=0.904 peak=1216 ppm1=8.363 ppm2=8.136

assign ( resid 69 and name HG
  )
       ( resid 25 and name HA
  ) 5.5 3.8 0.0 volume=0.433 peak=155 ppm1=0.816 ppm2=3.651

assign ( resid 66 and name H
  )
       ( resid 65 and name HB#
  ) 4.5 2.7 0.0 volume=0.741 peak=784 ppm1=8.329 ppm2=1.590

assign ( resid 96 and name HG13
  )
       ( resid 93 and name HA
  ) 4.5 2.8 0.0 volume=0.529 peak=566 ppm1=1.666 ppm2=4.081

assign ( resid 111 and name H
  )
       ( resid 111 and name HB3
  ) 3.5 1.7 0.0 volume=1.484 peak=940 ppm1=8.106 ppm2=1.566

assign ( resid 96 and name H
  )
       ( resid 97 and name H
  ) 4.5 2.7 0.0 volume=0.638 peak=725 ppm1=7.480 ppm2=7.730

assign ( resid 20 and name HA
  )
       ( resid 23 and name HB2
  ) 5.5 3.8 0.0 volume=0.367 peak=639 ppm1=3.926 ppm2=2.962

assign ( resid 22 and name H
  )
       ( resid 22 and name HA
  ) 4.5 2.7 0.0 volume=0.702 peak=693 ppm1=7.709 ppm2=4.084

assign ( resid 54 and name H
  )
       ( resid 53 and name HG2
  ) 5.5 3.7 0.0 volume=0.585 peak=854 ppm1=7.807 ppm2=1.700

assign ( resid 95 and name HD1#
  )
       ( resid 31 and name HB2
  ) 3.5 1.8 0.0 volume=1.097 peak=635 ppm1=0.608 ppm2=1.732

assign ( resid 46 and name HB
  )
       ( resid 46 and name HG2#
  ) 4.5 2.8 0.0 volume=0.543 peak=494 ppm1=1.938 ppm2=0.803

assign ( resid 34 and name H
  )
       ( resid 34 and name HA
  ) 4.5 2.7 0.0 volume=0.774 peak=944 ppm1=8.583 ppm2=3.559

assign ( resid 34 and name HB#
  )
       ( resid 65 and name HA
  ) 4.5 2.8 0.0 volume=0.539 peak=666 ppm1=1.195 ppm2=3.886

assign ( resid 70 and name H
  )
       ( resid 69 and name HA
  ) 5.5 3.7 0.0 volume=0.507 peak=811 ppm1=7.900 ppm2=3.779

assign ( resid 35 and name H
  )
       ( resid 35 and name HG2
  ) 4.5 2.7 0.0 volume=0.719 peak=681 ppm1=9.870 ppm2=1.973

assign ( resid 99 and name H
  )
       ( resid 98 and name HB3
  ) 2.8 1.0 0.0 volume=1.912 peak=978 ppm1=8.001 ppm2=1.806

assign ( resid 96 and name H
  )
       ( resid 96 and name HB
  ) 3.5 1.7 0.0 volume=1.068 peak=1005 ppm1=7.474 ppm2=1.987

assign ( resid 33 and name H
  )
       ( resid 32 and name HA
  ) 3.5 1.7 0.0 volume=1.246 peak=1014 ppm1=8.962 ppm2=4.042

assign ( resid 18 and name H
  )
       ( resid 18 and name HD3
  ) 4.5 2.7 0.0 volume=0.629 peak=1292 ppm1=7.821 ppm2=1.518

assign ( resid 27 and name H
  )
       ( resid 28 and name H
  ) 3.5 1.7 0.0 volume=1.098 peak=1188 ppm1=7.908 ppm2=9.327

assign ( resid 24 and name H
  )
       ( resid 22 and name HB3
  or resid 22 and name HB2
  ) 4.5 2.7 0.0 volume=0.652 peak=1257 ppm1=7.703 ppm2=2.185

assign ( resid 95 and name HD2#
  )
       ( resid 95 and name HB2
  ) 5.5 3.8 0.0 volume=0.319 peak=299 ppm1=0.762 ppm2=1.135

assign ( resid 103 and name HG2#
  )
       ( resid 20 and name HB#
  ) 3.5 1.8 0.0 volume=1.029 peak=178 ppm1=0.951 ppm2=1.299

assign ( resid 91 and name H
  )
       ( resid 91 and name HA
  ) 3.5 1.7 0.0 volume=1.055 peak=1289 ppm1=8.433 ppm2=4.435

assign ( resid 96 and name HA
  )
       ( resid 96 and name HB
  ) 5.5 3.8 0.0 volume=0.305 peak=461 ppm1=3.353 ppm2=2.017

assign ( resid 36 and name HD2
  )
       ( resid 36 and name HG3
  ) 3.5 1.8 0.0 volume=1.060 peak=226 ppm1=3.114 ppm2=1.403

assign ( resid 93 and name H
  )
       ( resid 94 and name HB2
  ) 4.5 2.7 0.0 volume=0.842 peak=746 ppm1=8.264 ppm2=2.932

assign ( resid 15 and name H
  )
       ( resid 12 and name HA
  ) 4.5 2.7 0.0 volume=0.701 peak=1064 ppm1=7.853 ppm2=4.472

assign ( resid 14 and name HA
  )
       ( resid 14 and name HG2#
  ) 5.5 3.8 0.0 volume=0.334 peak=439 ppm1=3.908 ppm2=1.305

assign ( resid 20 and name H
  )
       ( resid 19 and name HB2
  ) 5.5 3.7 0.0 volume=0.456 peak=742 ppm1=8.731 ppm2=2.595

assign ( resid 84 and name H
  )
       ( resid 83 and name HB
  ) 3.5 1.7 0.0 volume=1.571 peak=828 ppm1=7.565 ppm2=2.206

assign ( resid 69 and name HA
  )
       ( resid 69 and name HB3
  ) 3.5 1.8 0.0 volume=0.796 peak=173 ppm1=3.765 ppm2=1.946

assign ( resid 36 and name H
  )
       ( resid 35 and name HB2
  ) 3.5 1.7 0.0 volume=1.334 peak=1166 ppm1=7.307 ppm2=1.596

assign ( resid 13 and name H
  )
       ( resid 13 and name HA
  ) 4.5 2.7 0.0 volume=0.872 peak=806 ppm1=8.301 ppm2=4.150

assign ( resid 68 and name HD2#
  )
       ( resid 34 and name HA
  ) 5.5 3.8 0.0 volume=0.303 peak=601 ppm1=0.867 ppm2=3.544

assign ( resid 17 and name H
  )
       ( resid 16 and name HG2#
  ) 3.5 1.7 0.0 volume=1.531 peak=968 ppm1=8.114 ppm2=1.003

assign ( resid 49 and name HD2
  )
       ( resid 49 and name HG3
  ) 2.8 1.1 0.0 volume=2.789 peak=561 ppm1=3.149 ppm2=1.601

assign ( resid 102 and name H
  )
       ( resid 102 and name HA
  ) 4.5 2.7 0.0 volume=0.746 peak=846 ppm1=7.592 ppm2=4.111

assign ( resid 15 and name H
  )
       ( resid 15 and name HA
  ) 4.5 2.7 0.0 volume=0.717 peak=1275 ppm1=7.852 ppm2=4.043

assign ( resid 108 and name HD21
  )
       ( resid 111 and name HD1#
  ) 3.5 1.8 0.0 volume=0.222 peak=25 ppm1=7.566 ppm2=0.880

assign ( resid 47 and name HD1#
  )
       ( resid 46 and name HG2#
  ) 2.8 1.1 0.0 volume=3.869 peak=621 ppm1=0.588 ppm2=0.797

assign ( resid 82 and name HD2#
  )
       ( resid 46 and name HD1#
  ) 2.8 1.1 0.0 volume=2.335 peak=652 ppm1=0.426 ppm2=0.552

assign ( resid 83 and name H
  )
       ( resid 83 and name HG1#
  ) 2.8 1.0 0.0 volume=1.711 peak=1258 ppm1=8.376 ppm2=1.023

assign ( resid 47 and name HD1#
  )
       ( resid 47 and name HA
  ) 3.5 1.8 0.0 volume=0.723 peak=576 ppm1=0.584 ppm2=4.795

assign ( resid 62 and name HB3
  )
       ( resid 62 and name HA
  ) 5.5 3.8 0.0 volume=0.293 peak=454 ppm1=1.767 ppm2=4.538

assign ( resid 18 and name HE3
  )
       ( resid 21 and name HD1#
  ) 5.5 3.8 0.0 volume=0.447 peak=505 ppm1=2.581 ppm2=0.752

assign ( resid 86 and name H
  )
       ( resid 86 and name HD1#
  ) 5.5 3.7 0.0 volume=0.579 peak=873 ppm1=8.701 ppm2=0.475

assign ( resid 21 and name H
  )
       ( resid 21 and name HD1#
  ) 4.5 2.7 0.0 volume=0.883 peak=1080 ppm1=7.664 ppm2=0.764

assign ( resid 21 and name H
  )
       ( resid 20 and name HB#
  ) 4.5 2.7 0.0 volume=0.920 peak=859 ppm1=7.671 ppm2=1.346

assign ( resid 46 and name H
  )
       ( resid 45 and name H
  ) 4.5 2.7 0.0 volume=0.980 peak=813 ppm1=8.229 ppm2=7.803

assign ( resid 92 and name HE21
  )
       ( resid 91 and name HB
  ) 4.5 2.7 0.0 volume=0.689 peak=863 ppm1=7.964 ppm2=4.399

assign ( resid 11 and name H
  )
       ( resid 10 and name H
  ) 4.5 2.7 0.0 volume=0.706 peak=831 ppm1=8.592 ppm2=8.838

assign ( resid 11 and name H
  )
       ( resid 12 and name H
  ) 4.5 2.7 0.0 volume=0.883 peak=1171 ppm1=8.590 ppm2=8.038

assign ( resid 29 and name H
  )
       ( resid 29 and name HB3
  ) 3.5 1.7 0.0 volume=1.129 peak=1161 ppm1=8.692 ppm2=3.212

assign ( resid 68 and name HG
  )
       ( resid 68 and name HD1#
  ) 3.5 1.8 0.0 volume=0.865 peak=239 ppm1=1.041 ppm2=1.176

assign ( resid 56 and name H
  )
       ( resid 64 and name HG3
  ) 5.5 3.7 0.0 volume=0.550 peak=1248 ppm1=8.230 ppm2=1.160

assign ( resid 73 and name H
  )
       ( resid 73 and name HE22
  ) 5.5 3.7 0.0 volume=0.474 peak=885 ppm1=8.165 ppm2=7.231

assign ( resid 96 and name HD1#
  )
       ( resid 95 and name HB2
  ) 2.8 1.1 0.0 volume=1.747 peak=370 ppm1=0.869 ppm2=1.142

assign ( resid 106 and name H
  )
       ( resid 16 and name HG2#
  ) 3.5 1.7 0.0 volume=1.563 peak=1266 ppm1=8.147 ppm2=0.993

assign ( resid 75 and name H
  )
       ( resid 74 and name HA
  ) 5.5 3.7 0.0 volume=0.573 peak=1126 ppm1=7.480 ppm2=4.357

assign ( resid 89 and name H
  )
       ( resid 90 and name H
  ) 4.5 2.7 0.0 volume=0.849 peak=722 ppm1=7.983 ppm2=7.647

assign ( resid 95 and name H
  )
       ( resid 95 and name HA
  ) 4.5 2.7 0.0 volume=0.849 peak=1200 ppm1=7.338 ppm2=4.012

assign ( resid 69 and name HB3
  )
       ( resid 79 and name HD1#
  ) 5.5 3.8 0.0 volume=0.416 peak=660 ppm1=1.948 ppm2=0.783

assign ( resid 96 and name HG2#
  )
       ( resid 96 and name HA
  ) 4.5 2.8 0.0 volume=0.504 peak=650 ppm1=0.848 ppm2=3.361

assign ( resid 32 and name HG13
  )
       ( resid 69 and name HD2#
  ) 4.5 2.8 0.0 volume=0.476 peak=338 ppm1=1.199 ppm2=0.812

assign ( resid 112 and name H
  )
       ( resid 112 and name HB2
  or resid 112 and name HB3
  ) 2.8 1.0 0.0 volume=2.086 peak=1182 ppm1=7.833 ppm2=2.060

assign ( resid 105 and name H
  )
       ( resid 105 and name HG2
  ) 5.5 3.7 0.0 volume=0.523 peak=1095 ppm1=7.917 ppm2=1.156

assign ( resid 63 and name HA
  )
       ( resid 63 and name HD2
  ) 5.5 3.8 0.0 volume=0.398 peak=495 ppm1=4.246 ppm2=1.525

assign ( resid 98 and name HG3
  )
       ( resid 98 and name HB2
  ) 5.5 3.8 0.0 volume=0.361 peak=648 ppm1=1.346 ppm2=1.980

assign ( resid 92 and name HE21
  )
       ( resid 92 and name HE22
  ) 2.0 0.3 0.0 volume=5.825 peak=24 ppm1=7.946 ppm2=6.822

assign ( resid 55 and name HG2#
  )
       ( resid 55 and name HG12
  ) 3.5 1.8 0.0 volume=0.618 peak=478 ppm1=0.810 ppm2=1.907

assign ( resid 47 and name H
  )
       ( resid 47 and name HB3
  ) 3.5 1.7 0.0 volume=1.174 peak=895 ppm1=6.503 ppm2=1.280

assign ( resid 71 and name HB2
  )
       ( resid 71 and name HD#
  ) 5.5 3.8 0.0 volume=0.308 peak=334 ppm1=2.985 ppm2=7.179

assign ( resid 71 and name HE#
  )
       ( resid 55 and name HB
  ) 3.5 1.7 0.0 volume=0.700 peak=37 ppm1=6.704 ppm2=2.133

assign ( resid 105 and name HB2
  )
       ( resid 105 and name HA
  ) 3.5 1.8 0.0 volume=0.922 peak=186 ppm1=1.978 ppm2=3.981

assign ( resid 18 and name HE3
  )
       ( resid 18 and name HE2
  ) 2.8 1.1 0.0 volume=3.767 peak=307 ppm1=2.593 ppm2=2.405

assign ( resid 26 and name H
  )
       ( resid 26 and name HB
  ) 2.8 1.0 0.0 volume=2.225 peak=1145 ppm1=8.492 ppm2=2.089

assign ( resid 22 and name H
  )
       ( resid 21 and name HB3
  ) 5.5 3.7 0.0 volume=0.448 peak=1035 ppm1=7.705 ppm2=1.439

assign ( resid 58 and name H
  )
       ( resid 58 and name HB3
  ) 5.5 3.7 0.0 volume=0.579 peak=716 ppm1=7.598 ppm2=2.046

assign ( resid 32 and name HD1#
  )
       ( resid 86 and name HD1#
  ) 2.8 1.1 0.0 volume=1.769 peak=482 ppm1=0.592 ppm2=0.462

assign ( resid 79 and name HD1#
  )
       ( resid 25 and name HB2
  ) 3.5 1.8 0.0 volume=0.777 peak=587 ppm1=0.772 ppm2=1.883

assign ( resid 84 and name H
  )
       ( resid 83 and name H
  ) 4.5 2.7 0.0 volume=0.987 peak=1229 ppm1=7.558 ppm2=8.373

assign ( resid 21 and name HB3
  )
       ( resid 24 and name HD2#
  ) 4.5 2.8 0.0 volume=0.504 peak=204 ppm1=1.436 ppm2=0.718

assign ( resid 83 and name HG2#
  )
       ( resid 99 and name HD1#
  ) 3.5 1.8 0.0 volume=0.614 peak=187 ppm1=0.893 ppm2=0.600

assign ( resid 115 and name HB2
  )
       ( resid 115 and name HB3
  ) 2.8 1.1 0.0 volume=9.578 peak=333 ppm1=1.733 ppm2=1.803

assign ( resid 14 and name H
  )
       ( resid 13 and name HB2
  ) 4.5 2.7 0.0 volume=0.902 peak=957 ppm1=8.406 ppm2=1.692

assign ( resid 112 and name H
  )
       ( resid 112 and name HA
  ) 2.8 1.0 0.0 volume=2.084 peak=772 ppm1=7.832 ppm2=4.054

assign ( resid 24 and name HB2
  )
       ( resid 24 and name HD1#
  ) 3.5 1.8 0.0 volume=0.728 peak=444 ppm1=1.760 ppm2=0.773

assign ( resid 65 and name H
  )
       ( resid 64 and name H
  ) 3.5 1.7 0.0 volume=1.049 peak=768 ppm1=8.322 ppm2=8.610

assign ( resid 55 and name HG2#
  )
       ( resid 68 and name HA
  ) 4.5 2.8 0.0 volume=0.495 peak=261 ppm1=0.807 ppm2=4.214

assign ( resid 24 and name H
  )
       ( resid 24 and name HB2
  ) 2.8 1.0 0.0 volume=2.240 peak=764 ppm1=7.713 ppm2=1.766

assign ( resid 21 and name HG
  )
       ( resid 21 and name HD1#
  ) 4.5 2.8 0.0 volume=0.529 peak=422 ppm1=1.863 ppm2=0.786

assign ( resid 62 and name HB3
  )
       ( resid 62 and name HG3
  ) 2.8 1.1 0.0 volume=2.230 peak=472 ppm1=1.796 ppm2=1.611

assign ( resid 32 and name H
  )
       ( resid 32 and name HA
  ) 4.5 2.7 0.0 volume=0.702 peak=1101 ppm1=8.259 ppm2=4.045

assign ( resid 114 and name HB3
  )
       ( resid 114 and name HA
  ) 5.5 3.8 0.0 volume=0.406 peak=225 ppm1=1.728 ppm2=4.346

assign ( resid 101 and name HB2
  )
       ( resid 101 and name HA
  ) 5.5 3.8 0.0 volume=0.441 peak=574 ppm1=2.871 ppm2=4.418

assign ( resid 72 and name H
  )
       ( resid 72 and name HB3
  ) 5.5 3.7 0.0 volume=0.592 peak=1097 ppm1=8.320 ppm2=1.068

assign ( resid 66 and name H
  )
       ( resid 67 and name H
  ) 4.5 2.7 0.0 volume=0.668 peak=872 ppm1=8.339 ppm2=7.706

assign ( resid 106 and name HA
  )
       ( resid 106 and name HB2
  ) 3.5 1.8 0.0 volume=0.839 peak=401 ppm1=4.093 ppm2=1.555

assign ( resid 84 and name H
  )
       ( resid 84 and name HG2
  ) 4.5 2.7 0.0 volume=0.906 peak=1254 ppm1=7.567 ppm2=2.476

assign ( resid 32 and name HG13
  )
       ( resid 32 and name HD1#
  ) 4.5 2.8 0.0 volume=0.513 peak=86 ppm1=1.215 ppm2=0.575

assign ( resid 108 and name H
  )
       ( resid 108 and name HB2
  ) 3.5 1.7 0.0 volume=1.614 peak=1219 ppm1=8.143 ppm2=2.835

assign ( resid 89 and name H
  )
       ( resid 88 and name HB2
  ) 3.5 1.7 0.0 volume=1.578 peak=1119 ppm1=7.986 ppm2=2.073

assign ( resid 27 and name HE#
  )
       ( resid 23 and name HB3
  ) 4.5 2.7 0.0 volume=0.573 peak=40 ppm1=6.705 ppm2=2.753

assign ( resid 21 and name H
  )
       ( resid 22 and name HA
  ) 5.5 3.7 0.0 volume=0.475 peak=851 ppm1=7.659 ppm2=4.074

assign ( resid 45 and name H
  )
       ( resid 44 and name HA
  ) 4.5 2.7 0.0 volume=0.613 peak=1164 ppm1=7.817 ppm2=4.256

assign ( resid 20 and name HB#
  )
       ( resid 103 and name HA
  ) 5.5 3.8 0.0 volume=0.345 peak=277 ppm1=1.319 ppm2=3.297

assign ( resid 103 and name H
  )
       ( resid 24 and name HD1#
  ) 4.5 2.7 0.0 volume=0.874 peak=687 ppm1=8.037 ppm2=0.765

assign ( resid 55 and name H
  )
       ( resid 54 and name H
  ) 4.5 2.7 0.0 volume=0.842 peak=723 ppm1=8.171 ppm2=7.803

assign ( resid 72 and name HD2#
  )
       ( resid 46 and name HG13
  ) 4.5 2.8 0.0 volume=0.556 peak=622 ppm1=0.788 ppm2=1.524

assign ( resid 46 and name HG12
  )
       ( resid 46 and name HB
  ) 3.5 1.8 0.0 volume=0.712 peak=256 ppm1=1.274 ppm2=1.938

assign ( resid 73 and name HA
  )
       ( resid 73 and name HB2
  ) 4.5 2.8 0.0 volume=0.521 peak=630 ppm1=4.194 ppm2=2.059

assign ( resid 47 and name H
  )
       ( resid 46 and name HB
  ) 3.5 1.7 0.0 volume=1.042 peak=1057 ppm1=6.506 ppm2=1.961

assign ( resid 67 and name H
  )
       ( resid 66 and name HA2
  ) 5.5 3.7 0.0 volume=0.443 peak=1068 ppm1=7.712 ppm2=3.571

assign ( resid 73 and name HE22
  )
       ( resid 73 and name HG2
  ) 2.8 1.1 0.0 volume=0.316 peak=2 ppm1=7.220 ppm2=2.338

assign ( resid 106 and name HD2#
  )
       ( resid 16 and name HG1#
  ) 5.5 3.8 0.0 volume=0.356 peak=207 ppm1=0.964 ppm2=1.116

assign ( resid 86 and name HA
  )
       ( resid 86 and name HG2#
  ) 4.5 2.8 0.0 volume=0.460 peak=429 ppm1=3.740 ppm2=0.797

assign ( resid 66 and name H
  )
       ( resid 66 and name HA3
  ) 3.5 1.7 0.0 volume=1.358 peak=714 ppm1=8.337 ppm2=3.867

assign ( resid 42 and name H
  )
       ( resid 41 and name HB2
  ) 3.5 1.7 0.0 volume=1.597 peak=1212 ppm1=8.860 ppm2=1.958

assign ( resid 97 and name H
  )
       ( resid 96 and name HB
  ) 3.5 1.7 0.0 volume=1.537 peak=788 ppm1=7.734 ppm2=2.047

assign ( resid 16 and name HG2#
  )
       ( resid 106 and name HB2
  ) 3.5 1.8 0.0 volume=1.168 peak=395 ppm1=1.000 ppm2=1.554

assign ( resid 87 and name HB2
  )
       ( resid 87 and name HA
  ) 3.5 1.8 0.0 volume=0.625 peak=91 ppm1=1.911 ppm2=3.896

assign ( resid 111 and name HB3
  )
       ( resid 111 and name HA
  ) 4.5 2.8 0.0 volume=0.482 peak=154 ppm1=1.550 ppm2=4.059

assign ( resid 80 and name HB3
  )
       ( resid 80 and name HB2
  ) 2.8 1.1 0.0 volume=1.683 peak=169 ppm1=2.682 ppm2=2.432

assign ( resid 113 and name H
  )
       ( resid 110 and name HA
  ) 5.5 3.7 0.0 volume=0.450 peak=1277 ppm1=7.811 ppm2=4.084

assign ( resid 20 and name HA
  )
       ( resid 20 and name HB#
  ) 3.5 1.8 0.0 volume=0.865 peak=529 ppm1=3.930 ppm2=1.330

assign ( resid 47 and name HD2#
  )
       ( resid 52 and name HG2#
  ) 5.5 3.8 0.0 volume=0.425 peak=214 ppm1=0.563 ppm2=0.387

assign ( resid 32 and name HD1#
  )
       ( resid 32 and name HG13
  ) 3.5 1.8 0.0 volume=0.823 peak=434 ppm1=0.591 ppm2=1.198

assign ( resid 76 and name HD3
  )
       ( resid 75 and name HA
  ) 3.5 1.8 0.0 volume=0.965 peak=251 ppm1=3.940 ppm2=5.272

assign ( resid 45 and name H
  )
       ( resid 46 and name H
  ) 3.5 1.7 0.0 volume=1.414 peak=898 ppm1=7.819 ppm2=8.238

assign ( resid 94 and name HE#
  )
       ( resid 95 and name HD2#
  ) 4.5 2.7 0.0 volume=0.402 peak=36 ppm1=7.460 ppm2=0.757

assign ( resid 99 and name HG2#
  )
       ( resid 99 and name HB
  ) 3.5 1.8 0.0 volume=0.928 peak=191 ppm1=0.745 ppm2=1.765

assign ( resid 23 and name H
  )
       ( resid 20 and name HA
  ) 5.5 3.7 0.0 volume=0.506 peak=1039 ppm1=8.806 ppm2=3.935

assign ( resid 103 and name HG2#
  )
       ( resid 17 and name HA
  ) 5.5 3.8 0.0 volume=0.443 peak=311 ppm1=0.952 ppm2=3.792

assign ( resid 84 and name H
  )
       ( resid 83 and name HG2#
  ) 4.5 2.7 0.0 volume=0.630 peak=1232 ppm1=7.554 ppm2=0.863

assign ( resid 110 and name H
  )
       ( resid 110 and name HB2
  ) 2.8 1.0 0.0 volume=2.969 peak=1150 ppm1=7.770 ppm2=1.940

assign ( resid 58 and name H
  )
       ( resid 57 and name H
  ) 4.5 2.7 0.0 volume=0.918 peak=1036 ppm1=7.597 ppm2=7.453

assign ( resid 89 and name H
  )
       ( resid 87 and name H
  ) 5.5 3.7 0.0 volume=0.446 peak=894 ppm1=7.989 ppm2=8.548

assign ( resid 46 and name HG2#
  )
       ( resid 46 and name HA
  ) 3.5 1.8 0.0 volume=0.793 peak=288 ppm1=0.787 ppm2=3.930

assign ( resid 15 and name H
  )
       ( resid 14 and name HB
  ) 4.5 2.7 0.0 volume=0.836 peak=795 ppm1=7.864 ppm2=4.390

assign ( resid 35 and name H
  )
       ( resid 34 and name H
  ) 4.5 2.7 0.0 volume=0.653 peak=1273 ppm1=9.853 ppm2=8.583

assign ( resid 42 and name H
  )
       ( resid 42 and name HA
  ) 4.5 2.7 0.0 volume=0.828 peak=697 ppm1=8.859 ppm2=4.673

assign ( resid 107 and name HA
  )
       ( resid 110 and name HB2
  ) 3.5 1.8 0.0 volume=1.397 peak=415 ppm1=3.858 ppm2=1.926

assign ( resid 88 and name H
  )
       ( resid 87 and name H
  ) 4.5 2.7 0.0 volume=0.753 peak=1082 ppm1=7.781 ppm2=8.561

assign ( resid 96 and name HG12
  )
       ( resid 95 and name HB2
  ) 3.5 1.8 0.0 volume=1.182 peak=108 ppm1=1.792 ppm2=1.138

assign ( resid 56 and name H
  )
       ( resid 57 and name H
  ) 5.5 3.7 0.0 volume=0.580 peak=1027 ppm1=8.238 ppm2=7.470

assign ( resid 47 and name HD1#
  )
       ( resid 47 and name HB3
  ) 3.5 1.8 0.0 volume=1.332 peak=628 ppm1=0.585 ppm2=1.276

assign ( resid 98 and name H
  )
       ( resid 98 and name HB3
  ) 3.5 1.7 0.0 volume=1.161 peak=1139 ppm1=7.212 ppm2=1.791

assign ( resid 44 and name HA
  )
       ( resid 44 and name HB3
  ) 3.5 1.8 0.0 volume=0.911 peak=246 ppm1=4.249 ppm2=1.508

assign ( resid 71 and name HD#
  )
       ( resid 71 and name H
  ) 4.5 2.7 0.0 volume=0.338 peak=66 ppm1=7.191 ppm2=7.587

assign ( resid 78 and name H
  )
       ( resid 75 and name HB3
  ) 4.5 2.7 0.0 volume=0.668 peak=774 ppm1=8.884 ppm2=2.565

assign ( resid 73 and name HG2
  )
       ( resid 79 and name HD1#
  ) 5.5 3.8 0.0 volume=0.278 peak=139 ppm1=2.333 ppm2=0.757

assign ( resid 38 and name HD#
  )
       ( resid 38 and name HB2
  ) 4.5 2.7 0.0 volume=0.280 peak=53 ppm1=7.077 ppm2=3.290

assign ( resid 96 and name H
  )
       ( resid 96 and name HG12
  ) 5.5 3.7 0.0 volume=0.577 peak=838 ppm1=7.471 ppm2=1.805

assign ( resid 55 and name HD1#
  )
       ( resid 55 and name HG12
  ) 2.8 1.1 0.0 volume=1.624 peak=215 ppm1=0.836 ppm2=1.907

assign ( resid 54 and name H
  )
       ( resid 53 and name HB3
  ) 2.8 1.0 0.0 volume=1.711 peak=1209 ppm1=7.812 ppm2=1.948

assign ( resid 36 and name HD2
  )
       ( resid 36 and name HG2
  ) 3.5 1.8 0.0 volume=0.791 peak=80 ppm1=3.114 ppm2=1.585

assign ( resid 98 and name H
  )
       ( resid 98 and name HB2
  ) 3.5 1.7 0.0 volume=1.352 peak=997 ppm1=7.205 ppm2=1.970

assign ( resid 111 and name HA
  )
       ( resid 111 and name HG
  ) 3.5 1.8 0.0 volume=0.941 peak=663 ppm1=4.051 ppm2=1.733

assign ( resid 72 and name HD2#
  )
       ( resid 72 and name HG
  ) 2.8 1.1 0.0 volume=1.936 peak=375 ppm1=0.790 ppm2=1.008

assign ( resid 94 and name HB3
  )
       ( resid 94 and name HA
  ) 5.5 3.8 0.0 volume=0.445 peak=184 ppm1=3.269 ppm2=4.525

assign ( resid 22 and name H
  )
       ( resid 22 and name HG3
  ) 4.5 2.7 0.0 volume=0.645 peak=995 ppm1=7.705 ppm2=2.429

assign ( resid 54 and name H
  )
       ( resid 51 and name HB3
  ) 2.8 1.0 0.0 volume=1.972 peak=757 ppm1=7.809 ppm2=2.488

assign ( resid 106 and name HB2
  )
       ( resid 106 and name HG
  ) 3.5 1.8 0.0 volume=0.998 peak=122 ppm1=1.553 ppm2=1.966

assign ( resid 114 and name H
  )
       ( resid 114 and name HB3
  ) 2.8 1.0 0.0 volume=2.858 peak=1001 ppm1=7.723 ppm2=1.718

assign ( resid 26 and name H
  )
       ( resid 26 and name HA
  ) 3.5 1.7 0.0 volume=1.025 peak=720 ppm1=8.489 ppm2=3.553

assign ( resid 53 and name H
  )
       ( resid 54 and name H
  ) 4.5 2.7 0.0 volume=0.748 peak=901 ppm1=7.564 ppm2=7.817

assign ( resid 100 and name HB
  )
       ( resid 100 and name HG2#
  ) 5.5 3.8 0.0 volume=0.359 peak=647 ppm1=4.259 ppm2=1.248

assign ( resid 97 and name HG3
  )
       ( resid 97 and name HA
  ) 4.5 2.8 0.0 volume=0.496 peak=491 ppm1=2.397 ppm2=3.956

assign ( resid 93 and name HD22
  )
       ( resid 93 and name HB2
  ) 3.5 1.8 0.0 volume=0.251 peak=23 ppm1=7.548 ppm2=2.824

assign ( resid 37 and name H
  )
       ( resid 38 and name H
  ) 3.5 1.7 0.0 volume=1.618 peak=1084 ppm1=7.427 ppm2=6.981

assign ( resid 33 and name HB
  )
       ( resid 36 and name HB2
  ) 4.5 2.8 0.0 volume=0.484 peak=612 ppm1=1.903 ppm2=1.486

assign ( resid 73 and name H
  )
       ( resid 74 and name H
  ) 3.5 1.7 0.0 volume=1.260 peak=933 ppm1=8.172 ppm2=7.142

assign ( resid 45 and name H
  )
       ( resid 41 and name HA
  ) 2.8 1.0 0.0 volume=2.672 peak=683 ppm1=7.823 ppm2=3.840

assign ( resid 103 and name H
  )
       ( resid 99 and name HA
  ) 5.5 3.7 0.0 volume=0.576 peak=929 ppm1=8.034 ppm2=3.573

assign ( resid 74 and name H
  )
       ( resid 75 and name H
  ) 3.5 1.7 0.0 volume=1.260 peak=965 ppm1=7.137 ppm2=7.467

assign ( resid 30 and name H
  )
       ( resid 30 and name HG3
  ) 4.5 2.7 0.0 volume=0.712 peak=1281 ppm1=7.150 ppm2=2.190

assign ( resid 106 and name HD2#
  )
       ( resid 106 and name HB2
  ) 4.5 2.8 0.0 volume=0.457 peak=150 ppm1=0.957 ppm2=1.536

assign ( resid 55 and name HG2#
  )
       ( resid 68 and name HB3
  ) 4.5 2.8 0.0 volume=0.470 peak=300 ppm1=0.802 ppm2=1.541

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HA
  ) 3.5 1.8 0.0 volume=1.383 peak=531 ppm1=2.044 ppm2=4.084

assign ( resid 33 and name HD1#
  )
       ( resid 33 and name HA
  ) 5.5 3.8 0.0 volume=0.396 peak=179 ppm1=0.768 ppm2=4.167

assign ( resid 32 and name HD1#
  )
       ( resid 86 and name HG13
  ) 2.8 1.1 0.0 volume=2.629 peak=278 ppm1=0.593 ppm2=0.780

assign ( resid 109 and name HG12
  )
       ( resid 109 and name HG13
  ) 2.8 1.1 0.0 volume=2.372 peak=597 ppm1=1.466 ppm2=1.167

assign ( resid 41 and name H
  )
       ( resid 40 and name HB3
  ) 4.5 2.7 0.0 volume=0.887 peak=1047 ppm1=7.944 ppm2=3.084

assign ( resid 89 and name H
  )
       ( resid 88 and name HA
  ) 4.5 2.7 0.0 volume=0.809 peak=773 ppm1=8.004 ppm2=4.039

assign ( resid 89 and name H
  )
       ( resid 89 and name HG2
  ) 3.5 1.7 0.0 volume=1.389 peak=750 ppm1=7.992 ppm2=2.219

assign ( resid 68 and name H
  )
       ( resid 67 and name H
  ) 4.5 2.7 0.0 volume=0.805 peak=932 ppm1=8.086 ppm2=7.706

assign ( resid 96 and name HD1#
  )
       ( resid 89 and name HB2
  ) 3.5 1.8 0.0 volume=0.866 peak=489 ppm1=0.867 ppm2=1.977

assign ( resid 84 and name H
  )
       ( resid 81 and name HA
  ) 5.5 3.7 0.0 volume=0.574 peak=668 ppm1=7.559 ppm2=4.054

assign ( resid 114 and name HD2#
  )
       ( resid 114 and name HB2
  ) 2.8 1.1 0.0 volume=2.080 peak=616 ppm1=0.896 ppm2=1.607

assign ( resid 108 and name HD22
  )
       ( resid 111 and name HD1#
  ) 3.5 1.8 0.0 volume=0.285 peak=30 ppm1=6.815 ppm2=0.917

assign ( resid 52 and name HB
  )
       ( resid 52 and name HA
  ) 5.5 3.8 0.0 volume=0.374 peak=565 ppm1=3.109 ppm2=3.285

assign ( resid 72 and name H
  )
       ( resid 72 and name HD2#
  ) 4.5 2.7 0.0 volume=0.923 peak=1255 ppm1=8.327 ppm2=0.835

assign ( resid 95 and name HD1#
  )
       ( resid 86 and name HD1#
  ) 3.5 1.8 0.0 volume=1.349 peak=396 ppm1=0.597 ppm2=0.458

assign ( resid 19 and name H
  )
       ( resid 19 and name HA
  ) 4.5 2.7 0.0 volume=0.911 peak=989 ppm1=8.372 ppm2=4.389

assign ( resid 107 and name H
  )
       ( resid 106 and name H
  ) 2.8 1.0 0.0 volume=1.845 peak=728 ppm1=9.063 ppm2=8.159

assign ( resid 103 and name HG1#
  )
       ( resid 103 and name HA
  ) 4.5 2.8 0.0 volume=0.540 peak=528 ppm1=0.836 ppm2=3.309

assign ( resid 69 and name HD1#
  )
       ( resid 69 and name HB3
  ) 2.8 1.1 0.0 volume=1.963 peak=344 ppm1=0.704 ppm2=1.918

assign ( resid 75 and name H
  )
       ( resid 75 and name HA
  ) 5.5 3.7 0.0 volume=0.573 peak=943 ppm1=7.488 ppm2=5.282

assign ( resid 47 and name HB2
  )
       ( resid 47 and name HG
  ) 5.5 3.8 0.0 volume=0.387 peak=456 ppm1=1.039 ppm2=1.293

assign ( resid 89 and name H
  )
       ( resid 89 and name HA
  ) 3.5 1.7 0.0 volume=1.417 peak=1069 ppm1=7.984 ppm2=4.087

assign ( resid 29 and name HA
  )
       ( resid 65 and name HB#
  ) 3.5 1.8 0.0 volume=0.859 peak=273 ppm1=4.133 ppm2=1.611

assign ( resid 108 and name H
  )
       ( resid 108 and name HB3
  ) 2.8 1.0 0.0 volume=1.871 peak=1024 ppm1=8.147 ppm2=2.969

assign ( resid 81 and name HG2#
  )
       ( resid 81 and name HB
  ) 3.5 1.8 0.0 volume=1.302 peak=102 ppm1=1.301 ppm2=4.029

assign ( resid 21 and name H
  )
       ( resid 21 and name HB2
  ) 3.5 1.7 0.0 volume=1.473 peak=852 ppm1=7.672 ppm2=2.005

assign ( resid 113 and name H
  )
       ( resid 113 and name HB2
  ) 4.5 2.7 0.0 volume=0.636 peak=745 ppm1=7.804 ppm2=3.415

assign ( resid 25 and name HA
  )
       ( resid 69 and name HB2
  ) 4.5 2.8 0.0 volume=0.455 peak=633 ppm1=3.662 ppm2=1.399

assign ( resid 69 and name HB3
  )
       ( resid 69 and name HB2
  ) 3.5 1.8 0.0 volume=0.703 peak=363 ppm1=1.933 ppm2=1.386

assign ( resid 13 and name H
  )
       ( resid 13 and name HA
  ) 4.5 2.7 0.0 volume=0.954 peak=842 ppm1=8.303 ppm2=4.164

assign ( resid 84 and name HA
  )
       ( resid 84 and name HB2
  ) 3.5 1.8 0.0 volume=0.823 peak=624 ppm1=3.928 ppm2=2.155

assign ( resid 54 and name H
  )
       ( resid 53 and name HA
  ) 4.5 2.7 0.0 volume=0.947 peak=1162 ppm1=7.807 ppm2=3.995

assign ( resid 85 and name H
  )
       ( resid 86 and name H
  ) 4.5 2.7 0.0 volume=0.722 peak=1208 ppm1=7.971 ppm2=8.703

assign ( resid 46 and name HG13
  )
       ( resid 46 and name HD1#
  ) 4.5 2.8 0.0 volume=0.503 peak=241 ppm1=1.490 ppm2=0.574

assign ( resid 97 and name H
  )
       ( resid 98 and name H
  ) 4.5 2.7 0.0 volume=0.636 peak=789 ppm1=7.752 ppm2=7.225

assign ( resid 63 and name H
  )
       ( resid 63 and name HD2
  ) 3.5 1.7 0.0 volume=1.152 peak=1017 ppm1=7.728 ppm2=1.507

assign ( resid 109 and name H
  )
       ( resid 108 and name HB3
  ) 5.5 3.7 0.0 volume=0.569 peak=1189 ppm1=7.729 ppm2=2.976

assign ( resid 21 and name HD1#
  )
       ( resid 79 and name HB3
  ) 3.5 1.8 0.0 volume=0.653 peak=391 ppm1=0.771 ppm2=1.796

assign ( resid 36 and name H
  )
       ( resid 36 and name HG3
  ) 3.5 1.7 0.0 volume=1.227 peak=1012 ppm1=7.304 ppm2=1.408

assign ( resid 21 and name HA
  )
       ( resid 21 and name HB3
  ) 3.5 1.8 0.0 volume=0.738 peak=147 ppm1=3.813 ppm2=1.457

assign ( resid 49 and name HA
  )
       ( resid 52 and name HG2#
  ) 5.5 3.8 0.0 volume=0.331 peak=485 ppm1=3.857 ppm2=0.392

assign ( resid 102 and name HB3
  )
       ( resid 102 and name HA
  ) 3.5 1.8 0.0 volume=0.689 peak=210 ppm1=2.250 ppm2=4.097

assign ( resid 88 and name H
  )
       ( resid 88 and name HG2
  ) 3.5 1.7 0.0 volume=1.165 peak=841 ppm1=7.779 ppm2=1.727

assign ( resid 65 and name HA
  )
       ( resid 34 and name HB#
  ) 4.5 2.8 0.0 volume=0.555 peak=146 ppm1=3.892 ppm2=1.214

assign ( resid 106 and name H
  )
       ( resid 106 and name HG
  ) 2.8 1.0 0.0 volume=4.207 peak=1285 ppm1=8.147 ppm2=2.001

assign ( resid 68 and name HD1#
  )
       ( resid 68 and name HB3
  ) 3.5 1.8 0.0 volume=0.939 peak=127 ppm1=1.165 ppm2=1.537

assign ( resid 87 and name HB2
  )
       ( resid 84 and name HA
  ) 3.5 1.8 0.0 volume=0.626 peak=524 ppm1=1.895 ppm2=3.923

assign ( resid 87 and name H
  )
       ( resid 87 and name HG2
  ) 5.5 3.7 0.0 volume=0.463 peak=899 ppm1=8.537 ppm2=1.600

assign ( resid 100 and name H
  )
       ( resid 99 and name HB
  ) 4.5 2.7 0.0 volume=0.648 peak=740 ppm1=8.609 ppm2=1.796

assign ( resid 14 and name H
  )
       ( resid 12 and name HB2
  ) 4.5 2.7 0.0 volume=0.848 peak=1050 ppm1=8.394 ppm2=2.491

assign ( resid 46 and name H
  )
       ( resid 45 and name HA
  ) 4.5 2.7 0.0 volume=0.760 peak=736 ppm1=8.243 ppm2=3.822

assign ( resid 106 and name HD2#
  )
       ( resid 20 and name HA
  ) 5.5 3.8 0.0 volume=0.435 peak=407 ppm1=0.965 ppm2=3.923

assign ( resid 16 and name HG2#
  )
       ( resid 13 and name HA
  ) 3.5 1.8 0.0 volume=0.664 peak=129 ppm1=1.005 ppm2=4.151

assign ( resid 12 and name H
  )
       ( resid 11 and name HB2
  ) 3.5 1.7 0.0 volume=1.066 peak=847 ppm1=8.016 ppm2=2.026

assign ( resid 29 and name HA
  )
       ( resid 29 and name HB2
  ) 5.5 3.8 0.0 volume=0.370 peak=667 ppm1=4.131 ppm2=2.923

assign ( resid 63 and name H
  )
       ( resid 64 and name HB2
  ) 3.5 1.7 0.0 volume=1.421 peak=1073 ppm1=7.722 ppm2=1.861

assign ( resid 86 and name HD1#
  )
       ( resid 95 and name HB2
  ) 5.5 3.8 0.0 volume=0.440 peak=385 ppm1=0.456 ppm2=1.138

assign ( resid 97 and name H
  )
       ( resid 96 and name HG13
  ) 4.5 2.7 0.0 volume=0.653 peak=998 ppm1=7.745 ppm2=1.648

assign ( resid 68 and name HG
  )
       ( resid 68 and name HB3
  ) 3.5 1.8 0.0 volume=1.279 peak=376 ppm1=1.042 ppm2=1.532

assign ( resid 111 and name H
  )
       ( resid 110 and name HG3
  ) 5.5 3.7 0.0 volume=0.436 peak=1261 ppm1=8.113 ppm2=1.479

assign ( resid 102 and name HB3
  )
       ( resid 106 and name HG
  ) 2.8 1.1 0.0 volume=3.289 peak=517 ppm1=2.241 ppm2=1.961

assign ( resid 77 and name H
  )
       ( resid 77 and name HB3
  ) 4.5 2.7 0.0 volume=0.991 peak=956 ppm1=8.601 ppm2=1.579

assign ( resid 111 and name H
  )
       ( resid 111 and name HD1#
  ) 3.5 1.7 0.0 volume=1.683 peak=834 ppm1=8.117 ppm2=0.907

assign ( resid 37 and name H
  )
       ( resid 37 and name HB2
  ) 4.5 2.7 0.0 volume=0.899 peak=790 ppm1=7.435 ppm2=3.276

assign ( resid 114 and name HD1#
  )
       ( resid 114 and name HB3
  ) 2.8 1.1 0.0 volume=6.135 peak=446 ppm1=0.855 ppm2=1.714

assign ( resid 47 and name HD2#
  )
       ( resid 72 and name HD2#
  ) 3.5 1.8 0.0 volume=1.341 peak=219 ppm1=0.576 ppm2=0.809

assign ( resid 52 and name HA
  )
       ( resid 52 and name HG2#
  ) 5.5 3.8 0.0 volume=0.371 peak=238 ppm1=3.277 ppm2=0.408

assign ( resid 42 and name HD2
  )
       ( resid 52 and name HG2#
  ) 5.5 3.8 0.0 volume=0.274 peak=310 ppm1=2.912 ppm2=0.406

assign ( resid 83 and name HG1#
  )
       ( resid 83 and name HA
  ) 3.5 1.8 0.0 volume=0.985 peak=614 ppm1=0.995 ppm2=3.302

assign ( resid 29 and name H
  )
       ( resid 29 and name HB2
  ) 4.5 2.7 0.0 volume=0.799 peak=1238 ppm1=8.691 ppm2=2.915

assign ( resid 20 and name H
  )
       ( resid 18 and name HB2
  ) 4.5 2.7 0.0 volume=0.622 peak=866 ppm1=8.720 ppm2=2.008

assign ( resid 87 and name H
  )
       ( resid 86 and name H
  ) 4.5 2.7 0.0 volume=0.937 peak=1230 ppm1=8.543 ppm2=8.692

assign ( resid 101 and name H
  )
       ( resid 101 and name HB3
  ) 3.5 1.7 0.0 volume=1.024 peak=1074 ppm1=8.644 ppm2=2.577

assign ( resid 59 and name HG2#
  )
       ( resid 63 and name HB2
  ) 5.5 3.8 0.0 volume=0.242 peak=506 ppm1=1.308 ppm2=1.682

assign ( resid 82 and name H
  )
       ( resid 84 and name HB2
  ) 4.5 2.7 0.0 volume=0.902 peak=1133 ppm1=8.358 ppm2=2.172

assign ( resid 30 and name H
  )
       ( resid 29 and name H
  ) 4.5 2.7 0.0 volume=0.846 peak=1183 ppm1=7.159 ppm2=8.671

assign ( resid 100 and name HA
  )
       ( resid 100 and name HG2#
  ) 3.5 1.8 0.0 volume=0.643 peak=423 ppm1=3.738 ppm2=1.232

assign ( resid 73 and name H
  )
       ( resid 73 and name HB3
  ) 2.8 1.0 0.0 volume=1.781 peak=1169 ppm1=8.165 ppm2=2.031

assign ( resid 34 and name HB#
  )
       ( resid 41 and name HD1#
  ) 2.8 1.1 0.0 volume=1.896 peak=202 ppm1=1.197 ppm2=1.066

assign ( resid 55 and name H
  )
       ( resid 55 and name HG2#
  ) 3.5 1.7 0.0 volume=1.129 peak=759 ppm1=8.184 ppm2=0.826

assign ( resid 80 and name HB2
  )
       ( resid 80 and name HB3
  ) 3.5 1.8 0.0 volume=1.355 peak=322 ppm1=2.427 ppm2=2.661

assign ( resid 77 and name H
  )
       ( resid 78 and name H
  ) 3.5 1.7 0.0 volume=1.175 peak=821 ppm1=8.611 ppm2=8.898

assign ( resid 28 and name H
  )
       ( resid 28 and name HG
  ) 3.5 1.7 0.0 volume=1.279 peak=1163 ppm1=9.319 ppm2=2.071

assign ( resid 95 and name HA
  )
       ( resid 95 and name HD1#
  ) 5.5 3.8 0.0 volume=0.387 peak=373 ppm1=3.984 ppm2=0.603

assign ( resid 65 and name HA
  )
       ( resid 34 and name HB#
  ) 4.5 2.8 0.0 volume=0.506 peak=554 ppm1=3.901 ppm2=1.193

assign ( resid 39 and name H
  )
       ( resid 38 and name H
  ) 4.5 2.7 0.0 volume=0.834 peak=732 ppm1=8.939 ppm2=6.980

assign ( resid 102 and name H
  )
       ( resid 102 and name HB3
  ) 3.5 1.7 0.0 volume=1.507 peak=985 ppm1=7.585 ppm2=2.239

assign ( resid 19 and name H
  )
       ( resid 21 and name H
  ) 4.5 2.7 0.0 volume=0.625 peak=835 ppm1=8.366 ppm2=7.678

assign ( resid 69 and name H
  )
       ( resid 68 and name H
  ) 3.5 1.7 0.0 volume=1.372 peak=762 ppm1=8.402 ppm2=8.102

assign ( resid 32 and name HD1#
  )
       ( resid 82 and name HB3
  ) 4.5 2.8 0.0 volume=0.529 peak=582 ppm1=0.595 ppm2=1.745

assign ( resid 53 and name HA
  )
       ( resid 53 and name HG2
  ) 3.5 1.8 0.0 volume=0.779 peak=460 ppm1=4.007 ppm2=1.688

assign ( resid 85 and name H
  )
       ( resid 85 and name HA
  ) 4.5 2.7 0.0 volume=0.912 peak=1000 ppm1=7.970 ppm2=4.453

assign ( resid 74 and name HB2
  )
       ( resid 74 and name HG3
  ) 3.5 1.8 0.0 volume=1.376 peak=118 ppm1=2.301 ppm2=2.453

assign ( resid 43 and name H
  )
       ( resid 43 and name HB#
  ) 2.8 1.0 0.0 volume=2.791 peak=779 ppm1=8.273 ppm2=1.515

assign ( resid 100 and name HA
  )
       ( resid 103 and name HB
  ) 5.5 3.8 0.0 volume=0.385 peak=365 ppm1=3.752 ppm2=2.128

assign ( resid 14 and name H
  )
       ( resid 13 and name HB3
  ) 4.5 2.7 0.0 volume=0.765 peak=1140 ppm1=8.409 ppm2=1.805

assign ( resid 89 and name H
  )
       ( resid 88 and name H
  ) 2.8 1.0 0.0 volume=1.806 peak=893 ppm1=7.988 ppm2=7.805

assign ( resid 54 and name H
  )
       ( resid 54 and name HG3
  ) 3.5 1.7 0.0 volume=1.314 peak=1128 ppm1=7.801 ppm2=2.300

assign ( resid 26 and name HG2#
  )
       ( resid 26 and name HB
  ) 2.8 1.1 0.0 volume=1.652 peak=417 ppm1=1.054 ppm2=2.071

assign ( resid 44 and name HA
  )
       ( resid 44 and name HB2
  ) 5.5 3.8 0.0 volume=0.365 peak=316 ppm1=4.246 ppm2=2.052

assign ( resid 56 and name H
  )
       ( resid 56 and name HA
  ) 2.8 1.0 0.0 volume=2.197 peak=1121 ppm1=8.231 ppm2=4.160

assign ( resid 48 and name HB3
  )
       ( resid 48 and name HA
  ) 5.5 3.8 0.0 volume=0.351 peak=296 ppm1=3.871 ppm2=4.638

assign ( resid 95 and name HD2#
  )
       ( resid 27 and name HE#
  ) 5.5 3.8 0.0 volume=0.326 peak=233 ppm1=0.761 ppm2=6.717

assign ( resid 65 and name HB#
  )
       ( resid 34 and name HB#
  ) 5.5 3.8 0.0 volume=0.444 peak=175 ppm1=1.612 ppm2=1.212

assign ( resid 71 and name H
  )
       ( resid 73 and name H
  ) 5.5 3.7 0.0 volume=0.404 peak=958 ppm1=7.610 ppm2=8.187

assign ( resid 98 and name H
  )
       ( resid 98 and name HG3
  ) 5.5 3.7 0.0 volume=0.558 peak=1032 ppm1=7.211 ppm2=1.365

assign ( resid 97 and name HB3
  )
       ( resid 97 and name HG3
  ) 3.5 1.8 0.0 volume=1.086 peak=435 ppm1=2.170 ppm2=2.390

assign ( resid 13 and name H
  )
       ( resid 12 and name HB2
  ) 5.5 3.7 0.0 volume=0.568 peak=1065 ppm1=8.298 ppm2=2.523

assign ( resid 18 and name HE2
  )
       ( resid 18 and name HE3
  ) 2.8 1.1 0.0 volume=3.427 peak=252 ppm1=2.387 ppm2=2.580

assign ( resid 32 and name H
  )
       ( resid 28 and name HB2
  ) 4.5 2.7 0.0 volume=0.663 peak=1294 ppm1=8.269 ppm2=1.214

assign ( resid 24 and name H
  )
       ( resid 24 and name HD2#
  ) 4.5 2.7 0.0 volume=0.778 peak=882 ppm1=7.711 ppm2=0.760

assign ( resid 76 and name HB2
  )
       ( resid 76 and name HG2
  ) 3.5 1.8 0.0 volume=1.122 peak=412 ppm1=2.478 ppm2=1.998

assign ( resid 101 and name H
  )
       ( resid 97 and name HA
  ) 4.5 2.7 0.0 volume=0.715 peak=947 ppm1=8.640 ppm2=3.961

assign ( resid 14 and name H
  )
       ( resid 14 and name HG2#
  ) 4.5 2.7 0.0 volume=0.711 peak=802 ppm1=8.404 ppm2=1.307

assign ( resid 43 and name HB#
  )
       ( resid 44 and name HD2
  ) 4.5 2.8 0.0 volume=0.465 peak=312 ppm1=1.503 ppm2=1.129

assign ( resid 10 and name HA
  )
       ( resid 10 and name HB2
  ) 2.8 1.1 0.0 volume=2.906 peak=145 ppm1=4.094 ppm2=2.013

assign ( resid 40 and name H
  )
       ( resid 40 and name HB3
  ) 3.5 1.7 0.0 volume=1.123 peak=1151 ppm1=9.017 ppm2=3.055

assign ( resid 30 and name H
  )
       ( resid 30 and name HB3
  ) 2.8 1.0 0.0 volume=2.185 peak=1221 ppm1=7.157 ppm2=2.101

assign ( resid 79 and name HA
  )
       ( resid 72 and name HD1#
  ) 5.5 3.8 0.0 volume=0.371 peak=536 ppm1=3.861 ppm2=0.622

assign ( resid 106 and name H
  )
       ( resid 104 and name HB2
  ) 2.8 1.0 0.0 volume=3.246 peak=950 ppm1=8.141 ppm2=1.751

assign ( resid 69 and name HA
  )
       ( resid 82 and name HG
  ) 4.5 2.8 0.0 volume=0.460 peak=290 ppm1=3.769 ppm2=1.357

assign ( resid 25 and name H
  )
       ( resid 25 and name HB2
  ) 4.5 2.7 0.0 volume=0.957 peak=1173 ppm1=7.569 ppm2=1.880

assign ( resid 64 and name H
  )
       ( resid 65 and name H
  ) 4.5 2.7 0.0 volume=0.819 peak=946 ppm1=8.610 ppm2=8.325

assign ( resid 10 and name HA
  )
       ( resid 13 and name HD1#
  ) 3.5 1.8 0.0 volume=0.704 peak=340 ppm1=4.092 ppm2=0.854

assign ( resid 24 and name H
  )
       ( resid 22 and name HB3
  or resid 22 and name HB2
  ) 5.5 3.7 0.0 volume=0.548 peak=942 ppm1=7.696 ppm2=2.189

assign ( resid 16 and name HB
  )
       ( resid 16 and name HG2#
  ) 3.5 1.8 0.0 volume=0.616 peak=445 ppm1=2.346 ppm2=1.004

assign ( resid 95 and name H
  )
       ( resid 95 and name HD1#
  ) 4.5 2.7 0.0 volume=0.643 peak=922 ppm1=7.342 ppm2=0.601

assign ( resid 36 and name HA
  )
       ( resid 36 and name HD2
  ) 4.5 2.8 0.0 volume=0.494 peak=268 ppm1=3.861 ppm2=3.105

assign ( resid 82 and name HD1#
  )
       ( resid 72 and name HD2#
  ) 2.8 1.1 0.0 volume=2.528 peak=111 ppm1=0.595 ppm2=0.796

assign ( resid 82 and name HD1#
  )
       ( resid 82 and name HB3
  ) 5.5 3.8 0.0 volume=0.335 peak=629 ppm1=0.603 ppm2=1.718

assign ( resid 102 and name HG2
  )
       ( resid 102 and name HA
  ) 3.5 1.8 0.0 volume=0.829 peak=247 ppm1=2.316 ppm2=4.090

assign ( resid 67 and name H
  )
       ( resid 66 and name HA3
  ) 3.5 1.7 0.0 volume=1.114 peak=818 ppm1=7.721 ppm2=3.864

assign ( resid 94 and name HE#
  )
       ( resid 94 and name HD#
  ) 2.8 1.0 0.0 volume=3.183 peak=67 ppm1=7.464 ppm2=7.336

assign ( resid 44 and name H
  )
       ( resid 44 and name HA
  ) 4.5 2.7 0.0 volume=0.802 peak=1269 ppm1=7.385 ppm2=4.271

assign ( resid 82 and name H
  )
       ( resid 82 and name HD1#
  ) 5.5 3.7 0.0 volume=0.426 peak=756 ppm1=8.358 ppm2=0.572

assign ( resid 102 and name HG2
  )
       ( resid 102 and name HB2
  ) 2.8 1.1 0.0 volume=9.514 peak=138 ppm1=2.303 ppm2=2.047

assign ( resid 64 and name H
  )
       ( resid 62 and name HB3
  ) 4.5 2.7 0.0 volume=0.712 peak=1174 ppm1=8.611 ppm2=1.758

assign ( resid 24 and name HD1#
  )
       ( resid 24 and name HG
  ) 2.8 1.1 0.0 volume=2.451 peak=223 ppm1=0.788 ppm2=1.743

assign ( resid 27 and name H
  )
       ( resid 28 and name HD2#
  ) 4.5 2.7 0.0 volume=0.619 peak=890 ppm1=7.897 ppm2=0.806

assign ( resid 46 and name HG12
  )
       ( resid 46 and name HG2#
  ) 4.5 2.8 0.0 volume=0.552 peak=459 ppm1=1.246 ppm2=0.794

assign ( resid 36 and name HA
  )
       ( resid 36 and name HG3
  ) 3.5 1.8 0.0 volume=0.807 peak=83 ppm1=3.869 ppm2=1.433

assign ( resid 50 and name H
  )
       ( resid 51 and name HB2
  ) 5.5 3.7 0.0 volume=0.563 peak=1186 ppm1=8.648 ppm2=1.803

assign ( resid 72 and name HG
  )
       ( resid 47 and name HD1#
  ) 4.5 2.8 0.0 volume=0.454 peak=285 ppm1=1.005 ppm2=0.597

assign ( resid 51 and name H
  )
       ( resid 51 and name HA
  ) 3.5 1.7 0.0 volume=1.271 peak=903 ppm1=7.703 ppm2=4.187

assign ( resid 92 and name HB2
  )
       ( resid 89 and name HB3
  ) 5.5 3.8 0.0 volume=0.338 peak=518 ppm1=1.694 ppm2=2.269

assign ( resid 66 and name HA2
  )
       ( resid 66 and name HA3
  ) 3.5 1.8 0.0 volume=1.020 peak=665 ppm1=3.596 ppm2=3.838

assign ( resid 86 and name HG12
  )
       ( resid 86 and name HD1#
  ) 5.5 3.8 0.0 volume=0.407 peak=567 ppm1=1.638 ppm2=0.462

assign ( resid 39 and name H
  )
       ( resid 38 and name HB2
  ) 3.5 1.7 0.0 volume=1.380 peak=1118 ppm1=8.937 ppm2=3.262

assign ( resid 71 and name H
  )
       ( resid 72 and name H
  ) 3.5 1.7 0.0 volume=1.323 peak=977 ppm1=7.606 ppm2=8.320

assign ( resid 32 and name HD1#
  )
       ( resid 32 and name HG12
  ) 3.5 1.8 0.0 volume=0.838 peak=496 ppm1=0.593 ppm2=1.392

assign ( resid 49 and name HA
  )
       ( resid 49 and name HB2
  ) 2.8 1.1 0.0 volume=1.658 peak=197 ppm1=3.856 ppm2=1.737

assign ( resid 46 and name HG2#
  )
       ( resid 46 and name HB
  ) 3.5 1.8 0.0 volume=1.184 peak=325 ppm1=0.799 ppm2=1.937

assign ( resid 97 and name HG3
  )
       ( resid 97 and name HB3
  ) 2.8 1.1 0.0 volume=3.080 peak=425 ppm1=2.386 ppm2=2.157

assign ( resid 22 and name H
  )
       ( resid 23 and name H
  ) 3.5 1.7 0.0 volume=1.062 peak=1021 ppm1=7.708 ppm2=8.818

assign ( resid 65 and name HA
  )
       ( resid 69 and name HG
  ) 5.5 3.8 0.0 volume=0.430 peak=592 ppm1=3.904 ppm2=0.810

assign ( resid 63 and name HE3
  )
       ( resid 63 and name HD2
  ) 2.8 1.1 0.0 volume=2.526 peak=562 ppm1=2.985 ppm2=1.503

assign ( resid 80 and name H
  )
       ( resid 80 and name HB2
  ) 4.5 2.7 0.0 volume=0.910 peak=1282 ppm1=8.725 ppm2=2.444

assign ( resid 79 and name H
  )
       ( resid 79 and name HB3
  ) 3.5 1.7 0.0 volume=1.325 peak=718 ppm1=9.240 ppm2=1.771

assign ( resid 74 and name H
  )
       ( resid 73 and name HG3
  ) 4.5 2.7 0.0 volume=0.640 peak=1227 ppm1=7.138 ppm2=2.527

assign ( resid 79 and name HB3
  )
       ( resid 80 and name HA
  ) 5.5 3.8 0.0 volume=0.391 peak=590 ppm1=1.776 ppm2=4.134

assign ( resid 82 and name H
  )
       ( resid 79 and name HA
  ) 4.5 2.7 0.0 volume=0.610 peak=704 ppm1=8.358 ppm2=3.891

assign ( resid 75 and name HA
  )
       ( resid 76 and name HG2
  ) 4.5 2.8 0.0 volume=0.455 peak=350 ppm1=5.266 ppm2=2.019

assign ( resid 102 and name H
  )
       ( resid 103 and name H
  ) 3.5 1.7 0.0 volume=1.336 peak=1105 ppm1=7.583 ppm2=8.055

assign ( resid 107 and name H
  )
       ( resid 104 and name HA
  ) 5.5 3.7 0.0 volume=0.557 peak=1085 ppm1=9.054 ppm2=3.926

assign ( resid 29 and name H
  )
       ( resid 28 and name H
  ) 4.5 2.7 0.0 volume=0.870 peak=1251 ppm1=8.698 ppm2=9.286

assign ( resid 103 and name H
  )
       ( resid 24 and name HD1#
  ) 4.5 2.7 0.0 volume=0.852 peak=690 ppm1=8.047 ppm2=0.791

assign ( resid 30 and name HA
  )
       ( resid 30 and name HB2
  ) 3.5 1.8 0.0 volume=0.938 peak=440 ppm1=4.182 ppm2=2.057

assign ( resid 106 and name H
  )
       ( resid 105 and name HA
  ) 3.5 1.7 0.0 volume=1.149 peak=1262 ppm1=8.151 ppm2=3.966

assign ( resid 55 and name HG2#
  )
       ( resid 71 and name HD#
  ) 3.5 1.8 0.0 volume=0.614 peak=258 ppm1=0.813 ppm2=7.208

assign ( resid 17 and name H
  )
       ( resid 16 and name HB
  ) 3.5 1.7 0.0 volume=1.016 peak=1113 ppm1=8.101 ppm2=2.367

assign ( resid 24 and name H
  )
       ( resid 24 and name HA
  ) 5.5 3.7 0.0 volume=0.513 peak=861 ppm1=7.709 ppm2=4.564

assign ( resid 93 and name HA
  )
       ( resid 96 and name HG13
  ) 3.5 1.8 0.0 volume=0.627 peak=617 ppm1=4.100 ppm2=1.657

assign ( resid 74 and name H
  )
       ( resid 74 and name HG2
  ) 2.8 1.0 0.0 volume=1.879 peak=904 ppm1=7.142 ppm2=2.283

assign ( resid 25 and name HA
  )
       ( resid 25 and name HB2
  ) 4.5 2.8 0.0 volume=0.460 peak=317 ppm1=3.647 ppm2=1.864

assign ( resid 91 and name H
  )
       ( resid 92 and name H
  ) 4.5 2.7 0.0 volume=0.812 peak=1211 ppm1=8.430 ppm2=9.351

assign ( resid 23 and name HD22
  )
       ( resid 23 and name HB3
  ) 2.8 1.1 0.0 volume=0.304 peak=8 ppm1=6.869 ppm2=2.775

assign ( resid 33 and name H
  )
       ( resid 33 and name HB
  ) 4.5 2.7 0.0 volume=0.771 peak=1160 ppm1=8.966 ppm2=1.921

assign ( resid 52 and name H
  )
       ( resid 51 and name HB3
  ) 4.5 2.7 0.0 volume=0.937 peak=816 ppm1=7.646 ppm2=2.479

assign ( resid 86 and name HG2#
  )
       ( resid 86 and name HD1#
  ) 3.5 1.8 0.0 volume=0.932 peak=368 ppm1=0.802 ppm2=0.456

assign ( resid 23 and name H
  )
       ( resid 23 and name HB3
  ) 4.5 2.7 0.0 volume=0.885 peak=875 ppm1=8.805 ppm2=2.785

assign ( resid 33 and name HD1#
  )
       ( resid 33 and name HB
  ) 5.5 3.8 0.0 volume=0.310 peak=294 ppm1=0.775 ppm2=1.896

assign ( resid 35 and name HB2
  )
       ( resid 35 and name HG3
  ) 3.5 1.8 0.0 volume=0.616 peak=643 ppm1=1.572 ppm2=2.164

assign ( resid 98 and name H
  )
       ( resid 96 and name HB
  ) 3.5 1.7 0.0 volume=1.502 peak=876 ppm1=7.213 ppm2=2.025

assign ( resid 82 and name H
  )
       ( resid 82 and name HB2
  ) 4.5 2.7 0.0 volume=0.849 peak=976 ppm1=8.354 ppm2=1.493

assign ( resid 55 and name HD1#
  )
       ( resid 41 and name HD1#
  ) 3.5 1.8 0.0 volume=0.636 peak=457 ppm1=0.837 ppm2=1.041

assign ( resid 27 and name HB3
  )
       ( resid 27 and name HB2
  ) 3.5 1.8 0.0 volume=0.621 peak=578 ppm1=3.201 ppm2=2.912

assign ( resid 69 and name HD2#
  )
       ( resid 69 and name HA
  ) 3.5 1.8 0.0 volume=1.262 peak=121 ppm1=0.835 ppm2=3.769

assign ( resid 101 and name H
  )
       ( resid 102 and name H
  ) 3.5 1.7 0.0 volume=1.001 peak=1207 ppm1=8.640 ppm2=7.562

assign ( resid 24 and name HD2#
  )
       ( resid 24 and name HG
  ) 2.8 1.1 0.0 volume=1.903 peak=632 ppm1=0.732 ppm2=1.738

assign ( resid 72 and name H
  )
       ( resid 72 and name HB2
  ) 2.8 1.0 0.0 volume=1.702 peak=938 ppm1=8.316 ppm2=2.111

assign ( resid 34 and name HA
  )
       ( resid 68 and name HD2#
  ) 3.5 1.8 0.0 volume=0.644 peak=364 ppm1=3.537 ppm2=0.852

assign ( resid 39 and name H
  )
       ( resid 39 and name HB2
  ) 2.8 1.0 0.0 volume=1.963 peak=1268 ppm1=8.936 ppm2=2.712

assign ( resid 38 and name H
  )
       ( resid 36 and name H
  ) 4.5 2.7 0.0 volume=0.687 peak=72 ppm1=6.983 ppm2=7.283

assign ( resid 25 and name H
  )
       ( resid 26 and name H
  ) 4.5 2.7 0.0 volume=0.615 peak=936 ppm1=7.569 ppm2=8.478

assign ( resid 98 and name H
  )
       ( resid 98 and name HA
  ) 3.5 1.7 0.0 volume=1.090 peak=1159 ppm1=7.205 ppm2=4.077

assign ( resid 68 and name HD2#
  )
       ( resid 34 and name HB#
  ) 4.5 2.8 0.0 volume=0.596 peak=242 ppm1=0.863 ppm2=1.221

assign ( resid 19 and name H
  )
       ( resid 18 and name HA
  ) 5.5 3.7 0.0 volume=0.521 peak=1187 ppm1=8.393 ppm2=4.143

assign ( resid 15 and name H
  )
       ( resid 14 and name H
  ) 5.5 3.7 0.0 volume=0.536 peak=674 ppm1=7.852 ppm2=8.418

assign ( resid 52 and name HG2#
  )
       ( resid 42 and name HD2
  ) 5.5 3.8 0.0 volume=0.340 peak=488 ppm1=0.417 ppm2=2.929

assign ( resid 103 and name HA
  )
       ( resid 106 and name HD2#
  ) 3.5 1.8 0.0 volume=1.167 peak=95 ppm1=3.288 ppm2=0.959

assign ( resid 102 and name HB3
  )
       ( resid 102 and name HB2
  ) 2.8 1.1 0.0 volume=3.923 peak=483 ppm1=2.254 ppm2=2.046

assign ( resid 83 and name HA
  )
       ( resid 86 and name HB
  ) 5.5 3.8 0.0 volume=0.313 peak=235 ppm1=3.294 ppm2=1.756

assign ( resid 98 and name H
  )
       ( resid 97 and name H
  ) 4.5 2.7 0.0 volume=0.677 peak=1154 ppm1=7.208 ppm2=7.723

assign ( resid 75 and name H
  )
       ( resid 75 and name HB3
  ) 3.5 1.7 0.0 volume=1.065 peak=1059 ppm1=7.481 ppm2=2.561

assign ( resid 93 and name HD21
  )
       ( resid 93 and name HB2
  ) 3.5 1.8 0.0 volume=0.251 peak=10 ppm1=6.802 ppm2=2.810

assign ( resid 52 and name HG2#
  )
       ( resid 46 and name HD1#
  ) 2.8 1.1 0.0 volume=1.532 peak=107 ppm1=0.415 ppm2=0.543

assign ( resid 109 and name HG2#
  )
       ( resid 106 and name HA
  ) 4.5 2.8 0.0 volume=0.515 peak=430 ppm1=0.896 ppm2=4.096

assign ( resid 46 and name HD1#
  )
       ( resid 72 and name HD2#
  ) 2.8 1.1 0.0 volume=1.871 peak=479 ppm1=0.550 ppm2=0.773

assign ( resid 69 and name HD1#
  )
       ( resid 28 and name HD1#
  ) 4.5 2.8 0.0 volume=0.549 peak=579 ppm1=0.711 ppm2=1.013

assign ( resid 15 and name H
  )
       ( resid 15 and name HB2
  ) 2.8 1.0 0.0 volume=2.171 peak=948 ppm1=7.853 ppm2=2.194

assign ( resid 84 and name HA
  )
       ( resid 84 and name HB3
  ) 3.5 1.8 0.0 volume=0.839 peak=598 ppm1=3.922 ppm2=2.323

assign ( resid 101 and name H
  )
       ( resid 99 and name HB
  ) 4.5 2.7 0.0 volume=0.661 peak=1102 ppm1=8.640 ppm2=1.754

assign ( resid 27 and name HD#
  )
       ( resid 24 and name HG
  ) 4.5 2.7 0.0 volume=0.612 peak=52 ppm1=7.003 ppm2=1.741

assign ( resid 76 and name HB2
  )
       ( resid 76 and name HA
  ) 3.5 1.8 0.0 volume=0.617 peak=308 ppm1=2.492 ppm2=4.481

assign ( resid 110 and name HG3
  )
       ( resid 110 and name HB3
  ) 3.5 1.8 0.0 volume=1.345 peak=130 ppm1=1.470 ppm2=1.986

assign ( resid 44 and name HB2
  )
       ( resid 44 and name HD2
  ) 5.5 3.8 0.0 volume=0.440 peak=540 ppm1=2.039 ppm2=1.116

assign ( resid 19 and name H
  )
       ( resid 20 and name H
  ) 3.5 1.7 0.0 volume=1.071 peak=717 ppm1=8.374 ppm2=8.723

assign ( resid 89 and name H
  )
       ( resid 88 and name HB3
  ) 3.5 1.7 0.0 volume=1.219 peak=949 ppm1=7.988 ppm2=1.901

assign ( resid 91 and name HG2#
  )
       ( resid 91 and name HB
  ) 2.8 1.1 0.0 volume=3.367 peak=283 ppm1=1.304 ppm2=4.408

assign ( resid 69 and name HA
  )
       ( resid 72 and name HD2#
  ) 3.5 1.8 0.0 volume=1.005 peak=205 ppm1=3.768 ppm2=0.776

assign ( resid 91 and name H
  )
       ( resid 91 and name HG2#
  ) 3.5 1.7 0.0 volume=1.179 peak=836 ppm1=8.434 ppm2=1.301

assign ( resid 87 and name H
  )
       ( resid 84 and name HA
  ) 4.5 2.7 0.0 volume=0.972 peak=941 ppm1=8.533 ppm2=3.927

assign ( resid 47 and name HD2#
  )
       ( resid 47 and name HG
  ) 2.8 1.1 0.0 volume=1.871 peak=447 ppm1=0.574 ppm2=1.286

assign ( resid 111 and name H
  )
       ( resid 111 and name HG
  ) 2.8 1.0 0.0 volume=3.430 peak=1286 ppm1=8.116 ppm2=1.766

assign ( resid 17 and name H
  )
       ( resid 16 and name HA
  ) 3.5 1.7 0.0 volume=1.276 peak=1094 ppm1=8.114 ppm2=3.861

assign ( resid 52 and name HG2#
  )
       ( resid 41 and name HD2#
  ) 4.5 2.8 0.0 volume=0.553 peak=76 ppm1=0.415 ppm2=0.813

assign ( resid 27 and name HD#
  )
       ( resid 27 and name HB3
  ) 4.5 2.7 0.0 volume=0.458 peak=43 ppm1=7.006 ppm2=3.213

assign ( resid 45 and name HG2
  )
       ( resid 42 and name HA
  ) 2.8 1.1 0.0 volume=2.393 peak=354 ppm1=1.342 ppm2=4.648

assign ( resid 106 and name HD2#
  )
       ( resid 19 and name HB2
  ) 5.5 3.8 0.0 volume=0.321 peak=627 ppm1=0.958 ppm2=2.548

assign ( resid 10 and name H
  )
       ( resid 10 and name HA
  ) 5.5 3.7 0.0 volume=0.562 peak=840 ppm1=8.836 ppm2=4.078

assign ( resid 68 and name HA
  )
       ( resid 55 and name HD1#
  ) 4.5 2.8 0.0 volume=0.548 peak=613 ppm1=4.202 ppm2=0.831

assign ( resid 65 and name HA
  )
       ( resid 35 and name HB2
  ) 3.5 1.8 0.0 volume=1.010 peak=203 ppm1=3.896 ppm2=1.578

assign ( resid 83 and name HG1#
  )
       ( resid 86 and name HD1#
  ) 4.5 2.8 0.0 volume=0.452 peak=232 ppm1=0.993 ppm2=0.461

assign ( resid 93 and name H
  )
       ( resid 93 and name HB2
  ) 4.5 2.7 0.0 volume=0.739 peak=1019 ppm1=8.267 ppm2=2.801

assign ( resid 38 and name HD#
  )
       ( resid 52 and name HG2#
  ) 4.5 2.7 0.0 volume=0.315 peak=48 ppm1=7.079 ppm2=0.415

assign ( resid 102 and name H
  )
       ( resid 102 and name HG3
  ) 5.5 3.7 0.0 volume=0.503 peak=733 ppm1=7.586 ppm2=2.448

assign ( resid 42 and name H
  )
       ( resid 40 and name HA
  ) 5.5 3.7 0.0 volume=0.473 peak=1010 ppm1=8.864 ppm2=4.331

assign ( resid 20 and name HB#
  )
       ( resid 20 and name HA
  ) 3.5 1.8 0.0 volume=0.867 peak=585 ppm1=1.326 ppm2=3.926

assign ( resid 27 and name HD#
  )
       ( resid 98 and name HG2
  ) 4.5 2.7 0.0 volume=0.512 peak=41 ppm1=7.019 ppm2=1.452

assign ( resid 41 and name H
  )
       ( resid 41 and name HA
  ) 4.5 2.7 0.0 volume=0.803 peak=1031 ppm1=7.934 ppm2=3.853

assign ( resid 57 and name HB3
  )
       ( resid 57 and name HA
  ) 4.5 2.8 0.0 volume=0.486 peak=583 ppm1=3.011 ppm2=4.522

assign ( resid 72 and name HA
  )
       ( resid 46 and name HG2#
  ) 3.5 1.8 0.0 volume=1.369 peak=533 ppm1=3.934 ppm2=0.800

assign ( resid 37 and name H
  )
       ( resid 36 and name H
  ) 4.5 2.7 0.0 volume=0.984 peak=1176 ppm1=7.426 ppm2=7.303

assign ( resid 57 and name H
  )
       ( resid 57 and name HB2
  ) 3.5 1.7 0.0 volume=1.373 peak=1296 ppm1=7.475 ppm2=3.080

assign ( resid 63 and name HG2
  )
       ( resid 63 and name HD2
  ) 3.5 1.8 0.0 volume=0.619 peak=512 ppm1=1.088 ppm2=1.488

assign ( resid 97 and name H
  )
       ( resid 99 and name HB
  ) 4.5 2.7 0.0 volume=0.952 peak=1210 ppm1=7.725 ppm2=1.757

assign ( resid 26 and name H
  )
       ( resid 27 and name H
  ) 3.5 1.7 0.0 volume=1.221 peak=1048 ppm1=8.493 ppm2=7.903

assign ( resid 88 and name H
  )
       ( resid 89 and name H
  ) 3.5 1.7 0.0 volume=1.445 peak=1239 ppm1=7.774 ppm2=8.005

assign ( resid 13 and name HG
  )
       ( resid 107 and name HA
  ) 4.5 2.8 0.0 volume=0.486 peak=560 ppm1=1.561 ppm2=3.874

assign ( resid 53 and name H
  )
       ( resid 53 and name HB3
  ) 3.5 1.7 0.0 volume=1.374 peak=1124 ppm1=7.556 ppm2=1.954

assign ( resid 65 and name H
  )
       ( resid 65 and name HB#
  ) 2.8 1.0 0.0 volume=2.130 peak=1018 ppm1=8.315 ppm2=1.606

assign ( resid 26 and name HA
  )
       ( resid 26 and name HB
  ) 5.5 3.8 0.0 volume=0.307 peak=645 ppm1=3.545 ppm2=2.076

assign ( resid 34 and name H
  )
       ( resid 33 and name HG2#
  ) 4.5 2.7 0.0 volume=0.981 peak=807 ppm1=8.581 ppm2=0.822

assign ( resid 16 and name H
  )
       ( resid 16 and name HA
  ) 3.5 1.7 0.0 volume=1.327 peak=1040 ppm1=7.830 ppm2=3.864

assign ( resid 95 and name H
  )
       ( resid 95 and name HD2#
  ) 4.5 2.7 0.0 volume=0.824 peak=969 ppm1=7.335 ppm2=0.776

assign ( resid 69 and name H
  )
       ( resid 69 and name HB2
  ) 5.5 3.7 0.0 volume=0.598 peak=1265 ppm1=8.395 ppm2=1.393

assign ( resid 101 and name H
  )
       ( resid 101 and name HA
  ) 3.5 1.7 0.0 volume=1.280 peak=1003 ppm1=8.642 ppm2=4.434

assign ( resid 69 and name HD1#
  )
       ( resid 69 and name HB2
  ) 3.5 1.8 0.0 volume=1.263 peak=92 ppm1=0.705 ppm2=1.401

assign ( resid 62 and name HB3
  )
       ( resid 62 and name HG2
  ) 5.5 3.8 0.0 volume=0.386 peak=89 ppm1=1.794 ppm2=1.235

assign ( resid 48 and name H
  )
       ( resid 47 and name HD1#
  ) 4.5 2.7 0.0 volume=0.622 peak=1287 ppm1=9.275 ppm2=0.574

assign ( resid 111 and name H
  )
       ( resid 111 and name HA
  ) 2.8 1.0 0.0 volume=1.828 peak=858 ppm1=8.110 ppm2=4.048

assign ( resid 21 and name HD1#
  )
       ( resid 21 and name HB2
  ) 3.5 1.8 0.0 volume=0.775 peak=527 ppm1=0.772 ppm2=1.982

assign ( resid 15 and name H
  )
       ( resid 14 and name HB
  ) 4.5 2.7 0.0 volume=0.715 peak=1093 ppm1=7.858 ppm2=4.363

assign ( resid 46 and name HG2#
  )
       ( resid 47 and name HD1#
  ) 2.8 1.1 0.0 volume=2.419 peak=176 ppm1=0.784 ppm2=0.593

assign ( resid 28 and name H
  )
       ( resid 27 and name HB3
  ) 5.5 3.7 0.0 volume=0.409 peak=792 ppm1=9.312 ppm2=3.198

assign ( resid 37 and name H
  )
       ( resid 36 and name HB3
  ) 5.5 3.7 0.0 volume=0.518 peak=908 ppm1=7.442 ppm2=1.328

assign ( resid 20 and name H
  )
       ( resid 17 and name HA
  ) 4.5 2.7 0.0 volume=0.662 peak=1043 ppm1=8.722 ppm2=3.821

assign ( resid 115 and name H
  )
       ( resid 114 and name HA
  ) 4.5 2.7 0.0 volume=0.984 peak=1114 ppm1=7.588 ppm2=4.367

assign ( resid 44 and name H
  )
       ( resid 45 and name H
  ) 4.5 2.7 0.0 volume=0.947 peak=1234 ppm1=7.391 ppm2=7.828

assign ( resid 28 and name H
  )
       ( resid 79 and name HD2#
  ) 4.5 2.7 0.0 volume=0.800 peak=1076 ppm1=9.312 ppm2=0.857

assign ( resid 14 and name H
  )
       ( resid 15 and name H
  ) 3.5 1.7 0.0 volume=1.362 peak=864 ppm1=8.407 ppm2=7.857

assign ( resid 23 and name HD22
  )
       ( resid 23 and name HD21
  ) 2.0 0.3 0.0 volume=0.882 peak=4 ppm1=6.872 ppm2=8.393

assign ( resid 43 and name H
  )
       ( resid 42 and name H
  ) 3.5 1.7 0.0 volume=1.358 peak=1044 ppm1=8.272 ppm2=8.851

assign ( resid 13 and name H
  )
       ( resid 12 and name HA
  ) 5.5 3.7 0.0 volume=0.545 peak=870 ppm1=8.303 ppm2=4.504

assign ( resid 27 and name HD#
  )
       ( resid 27 and name HE#
  ) 2.8 1.0 0.0 volume=3.270 peak=35 ppm1=7.010 ppm2=6.708

assign ( resid 72 and name H
  )
       ( resid 79 and name HD1#
  ) 3.5 1.7 0.0 volume=1.137 peak=914 ppm1=8.317 ppm2=0.763

assign ( resid 107 and name H
  )
       ( resid 107 and name HB2
  ) 4.5 2.7 0.0 volume=0.839 peak=1125 ppm1=9.054 ppm2=1.857

assign ( resid 82 and name H
  )
       ( resid 82 and name HA
  ) 3.5 1.7 0.0 volume=1.164 peak=992 ppm1=8.361 ppm2=4.030

assign ( resid 71 and name HD#
  )
       ( resid 68 and name HG
  ) 4.5 2.7 0.0 volume=0.597 peak=62 ppm1=7.197 ppm2=1.037

assign ( resid 75 and name H
  )
       ( resid 18 and name HE3
  ) 4.5 2.7 0.0 volume=0.954 peak=1158 ppm1=7.482 ppm2=2.585

assign ( resid 46 and name HA
  )
       ( resid 44 and name HB3
  ) 5.5 3.8 0.0 volume=0.381 peak=546 ppm1=3.919 ppm2=1.527

assign ( resid 78 and name HA3
  )
       ( resid 72 and name HD2#
  ) 4.5 2.8 0.0 volume=0.594 peak=160 ppm1=3.445 ppm2=0.784

assign ( resid 55 and name HA
  )
       ( resid 55 and name HB
  ) 4.5 2.8 0.0 volume=0.542 peak=189 ppm1=3.553 ppm2=2.099

assign ( resid 20 and name HB#
  )
       ( resid 24 and name HD1#
  ) 3.5 1.8 0.0 volume=1.152 peak=291 ppm1=1.331 ppm2=0.797

assign ( resid 37 and name H
  )
       ( resid 36 and name HB3
  ) 5.5 3.7 0.0 volume=0.556 peak=877 ppm1=7.441 ppm2=1.348

assign ( resid 74 and name HB2
  )
       ( resid 74 and name HA
  ) 4.5 2.8 0.0 volume=0.492 peak=651 ppm1=2.315 ppm2=4.318

assign ( resid 86 and name HG2#
  )
       ( resid 86 and name HA
  ) 5.5 3.8 0.0 volume=0.400 peak=573 ppm1=0.806 ppm2=3.723

assign ( resid 91 and name H
  )
       ( resid 89 and name HB3
  ) 5.5 3.7 0.0 volume=0.500 peak=925 ppm1=8.438 ppm2=2.275

assign ( resid 26 and name H
  )
       ( resid 26 and name HG2#
  ) 2.8 1.0 0.0 volume=2.278 peak=702 ppm1=8.492 ppm2=1.073

assign ( resid 14 and name HG2#
  )
       ( resid 10 and name HB2
  ) 4.5 2.8 0.0 volume=0.486 peak=269 ppm1=1.299 ppm2=2.027

assign ( resid 53 and name H
  )
       ( resid 55 and name HG12
  ) 3.5 1.7 0.0 volume=1.201 peak=902 ppm1=7.565 ppm2=1.920

assign ( resid 54 and name H
  )
       ( resid 56 and name H
  ) 3.5 1.7 0.0 volume=1.180 peak=1148 ppm1=7.816 ppm2=8.220

assign ( resid 73 and name H
  )
       ( resid 72 and name H
  ) 3.5 1.7 0.0 volume=1.296 peak=741 ppm1=8.164 ppm2=8.317

assign ( resid 68 and name H
  )
       ( resid 68 and name HA
  ) 4.5 2.7 0.0 volume=0.697 peak=931 ppm1=8.083 ppm2=4.232

assign ( resid 111 and name HA
  )
       ( resid 111 and name HB3
  ) 3.5 1.8 0.0 volume=0.718 peak=75 ppm1=4.055 ppm2=1.552

assign ( resid 94 and name HD#
  )
       ( resid 95 and name HD2#
  ) 4.5 2.7 0.0 volume=0.699 peak=32 ppm1=7.346 ppm2=0.744

assign ( resid 54 and name H
  )
       ( resid 53 and name H
  ) 3.5 1.7 0.0 volume=1.180 peak=909 ppm1=7.802 ppm2=7.551

assign ( resid 30 and name H
  )
       ( resid 32 and name H
  ) 4.5 2.7 0.0 volume=0.632 peak=1250 ppm1=7.152 ppm2=8.273

assign ( resid 16 and name HG2#
  )
       ( resid 103 and name HA
  ) 5.5 3.8 0.0 volume=0.335 peak=216 ppm1=1.000 ppm2=3.298

assign ( resid 32 and name H
  )
       ( resid 32 and name HG13
  ) 4.5 2.7 0.0 volume=0.710 peak=1016 ppm1=8.262 ppm2=1.176

assign ( resid 76 and name HD2
  )
       ( resid 76 and name HD3
  ) 2.8 1.1 0.0 volume=1.712 peak=79 ppm1=3.720 ppm2=3.947

assign ( resid 84 and name HB2
  )
       ( resid 84 and name HG3
  ) 2.8 1.1 0.0 volume=2.543 peak=99 ppm1=2.153 ppm2=2.304

assign ( resid 55 and name HG2#
  )
       ( resid 55 and name HG13
  ) 3.5 1.8 0.0 volume=0.964 peak=206 ppm1=0.809 ppm2=1.192

assign ( resid 97 and name HB3
  )
       ( resid 97 and name HA
  ) 5.5 3.8 0.0 volume=0.326 peak=335 ppm1=2.188 ppm2=3.949

assign ( resid 19 and name H
  )
       ( resid 16 and name HA
  ) 4.5 2.7 0.0 volume=0.614 peak=803 ppm1=8.376 ppm2=3.863

assign ( resid 109 and name HB
  )
       ( resid 106 and name HA
  ) 4.5 2.8 0.0 volume=0.453 peak=600 ppm1=1.845 ppm2=4.091

assign ( resid 19 and name HB2
  )
       ( resid 19 and name HA
  ) 3.5 1.8 0.0 volume=0.693 peak=112 ppm1=2.569 ppm2=4.398

assign ( resid 80 and name HA
  )
       ( resid 80 and name HB3
  ) 4.5 2.8 0.0 volume=0.521 peak=105 ppm1=4.137 ppm2=2.672

assign ( resid 81 and name HG2#
  )
       ( resid 44 and name HD2
  ) 3.5 1.8 0.0 volume=1.029 peak=557 ppm1=1.294 ppm2=1.101

assign ( resid 42 and name H
  )
       ( resid 41 and name HB3
  ) 4.5 2.7 0.0 volume=0.805 peak=1215 ppm1=8.858 ppm2=1.270

assign ( resid 20 and name H
  )
       ( resid 19 and name H
  ) 3.5 1.7 0.0 volume=1.072 peak=1008 ppm1=8.725 ppm2=8.354

assign ( resid 112 and name H
  )
       ( resid 111 and name H
  ) 3.5 1.7 0.0 volume=1.625 peak=1226 ppm1=7.832 ppm2=8.104

assign ( resid 12 and name H
  )
       ( resid 12 and name HB3
  ) 4.5 2.7 0.0 volume=0.938 peak=812 ppm1=8.015 ppm2=3.033

assign ( resid 44 and name H
  )
       ( resid 44 and name HB2
  ) 4.5 2.7 0.0 volume=0.601 peak=970 ppm1=7.383 ppm2=2.068

assign ( resid 11 and name H
  )
       ( resid 14 and name H
  ) 4.5 2.7 0.0 volume=0.898 peak=1091 ppm1=8.591 ppm2=8.376

assign ( resid 25 and name H
  )
       ( resid 25 and name HB2
  ) 3.5 1.7 0.0 volume=1.093 peak=1110 ppm1=7.568 ppm2=1.898

assign ( resid 105 and name HA
  )
       ( resid 105 and name HG2
  ) 5.5 3.8 0.0 volume=0.423 peak=402 ppm1=3.975 ppm2=1.174

assign ( resid 64 and name HA
  )
       ( resid 63 and name HD2
  ) 5.5 3.8 0.0 volume=0.310 peak=149 ppm1=4.124 ppm2=1.504

assign ( resid 14 and name HG2#
  )
       ( resid 103 and name HG2#
  ) 3.5 1.8 0.0 volume=0.700 peak=661 ppm1=1.305 ppm2=0.925

assign ( resid 14 and name HG2#
  )
       ( resid 16 and name HG2#
  ) 3.5 1.8 0.0 volume=0.791 peak=180 ppm1=1.304 ppm2=1.009

assign ( resid 11 and name H
  )
       ( resid 11 and name HA
  ) 3.5 1.7 0.0 volume=1.599 peak=731 ppm1=8.594 ppm2=4.103

assign ( resid 108 and name HD22
  )
       ( resid 108 and name HB2
  ) 3.5 1.8 0.0 volume=0.288 peak=28 ppm1=6.810 ppm2=2.857

assign ( resid 85 and name H
  )
       ( resid 84 and name H
  ) 3.5 1.7 0.0 volume=1.229 peak=924 ppm1=7.964 ppm2=7.583

assign ( resid 55 and name HD1#
  )
       ( resid 35 and name HA
  ) 3.5 1.8 0.0 volume=0.761 peak=279 ppm1=0.835 ppm2=4.156

assign ( resid 77 and name H
  )
       ( resid 77 and name HB2
  ) 3.5 1.7 0.0 volume=1.331 peak=920 ppm1=8.599 ppm2=2.025

assign ( resid 88 and name H
  )
       ( resid 88 and name HA
  ) 3.5 1.7 0.0 volume=1.272 peak=1049 ppm1=7.774 ppm2=4.023

assign ( resid 106 and name HD2#
  )
       ( resid 20 and name HB#
  ) 5.5 3.8 0.0 volume=0.397 peak=441 ppm1=0.962 ppm2=1.316

assign ( resid 15 and name H
  )
       ( resid 14 and name HG2#
  ) 5.5 3.7 0.0 volume=0.437 peak=1062 ppm1=7.866 ppm2=1.290

assign ( resid 93 and name HB2
  )
       ( resid 93 and name HA
  ) 5.5 3.8 0.0 volume=0.423 peak=369 ppm1=2.793 ppm2=4.093

assign ( resid 69 and name H
  )
       ( resid 69 and name HB3
  ) 2.8 1.0 0.0 volume=2.315 peak=1247 ppm1=8.395 ppm2=1.958

assign ( resid 24 and name HD1#
  )
       ( resid 28 and name HG
  ) 3.5 1.8 0.0 volume=0.759 peak=473 ppm1=0.789 ppm2=2.072

assign ( resid 59 and name HG2#
  )
       ( resid 67 and name HB3
  ) 5.5 3.8 0.0 volume=0.229 peak=419 ppm1=1.308 ppm2=1.607

assign ( resid 38 and name HA
  )
       ( resid 38 and name HD#
  ) 5.5 3.8 0.0 volume=0.439 peak=199 ppm1=4.275 ppm2=7.093

assign ( resid 63 and name HD2
  )
       ( resid 63 and name HA
  ) 3.5 1.8 0.0 volume=0.735 peak=318 ppm1=1.516 ppm2=4.239

assign ( resid 71 and name HD#
  )
       ( resid 68 and name HB3
  ) 4.5 2.7 0.0 volume=0.533 peak=44 ppm1=7.194 ppm2=1.552

assign ( resid 55 and name H
  )
       ( resid 51 and name HB3
  ) 4.5 2.7 0.0 volume=0.666 peak=1192 ppm1=8.168 ppm2=2.464

assign ( resid 19 and name HB2
  )
       ( resid 19 and name HB3
  ) 2.8 1.1 0.0 volume=3.054 peak=397 ppm1=2.569 ppm2=2.870

assign ( resid 101 and name H
  )
       ( resid 101 and name HB2
  ) 3.5 1.7 0.0 volume=1.228 peak=749 ppm1=8.644 ppm2=2.884

assign ( resid 37 and name HB3
  )
       ( resid 37 and name HB2
  ) 4.5 2.8 0.0 volume=0.545 peak=263 ppm1=2.649 ppm2=3.256

assign ( resid 35 and name H
  )
       ( resid 33 and name HG2#
  ) 4.5 2.7 0.0 volume=0.874 peak=1243 ppm1=9.865 ppm2=0.840

assign ( resid 68 and name HA
  )
       ( resid 68 and name HB3
  ) 5.5 3.8 0.0 volume=0.393 peak=153 ppm1=4.219 ppm2=1.542

assign ( resid 102 and name H
  )
       ( resid 101 and name H
  ) 4.5 2.7 0.0 volume=0.901 peak=1022 ppm1=7.587 ppm2=8.632

assign ( resid 42 and name H
  )
       ( resid 41 and name H
  ) 3.5 1.7 0.0 volume=1.222 peak=1180 ppm1=8.857 ppm2=7.949

assign ( resid 74 and name HG3
  )
       ( resid 74 and name HB3
  ) 2.8 1.1 0.0 volume=1.471 peak=534 ppm1=2.464 ppm2=1.995

assign ( resid 108 and name HD21
  )
       ( resid 108 and name HB3
  ) 3.5 1.8 0.0 volume=0.294 peak=1 ppm1=7.545 ppm2=2.968

assign ( resid 95 and name H
  )
       ( resid 96 and name H
  ) 3.5 1.7 0.0 volume=1.304 peak=823 ppm1=7.333 ppm2=7.492

assign ( resid 76 and name HD2
  )
       ( resid 75 and name HA
  ) 3.5 1.8 0.0 volume=0.882 peak=274 ppm1=3.719 ppm2=5.269

assign ( resid 19 and name H
  )
       ( resid 19 and name HB3
  ) 3.5 1.7 0.0 volume=1.476 peak=1276 ppm1=8.380 ppm2=2.894

assign ( resid 16 and name H
  )
       ( resid 15 and name HB2
  ) 4.5 2.7 0.0 volume=0.975 peak=685 ppm1=7.831 ppm2=2.173

assign ( resid 78 and name H
  )
       ( resid 79 and name H
  ) 5.5 3.7 0.0 volume=0.553 peak=814 ppm1=8.886 ppm2=9.227

assign ( resid 10 and name H
  )
       ( resid 11 and name HG2
  ) 4.5 2.7 0.0 volume=0.677 peak=743 ppm1=8.834 ppm2=2.277

assign ( resid 69 and name HD2#
  )
       ( resid 69 and name HB2
  ) 5.5 3.8 0.0 volume=0.360 peak=522 ppm1=0.840 ppm2=1.390

assign ( resid 26 and name HG1#
  )
       ( resid 26 and name HB
  ) 2.8 1.1 0.0 volume=1.463 peak=253 ppm1=0.952 ppm2=2.066

assign ( resid 74 and name H
  )
       ( resid 74 and name HA
  ) 3.5 1.7 0.0 volume=1.237 peak=1052 ppm1=7.139 ppm2=4.351

assign ( resid 109 and name HG13
  )
       ( resid 109 and name HD1#
  ) 4.5 2.8 0.0 volume=0.554 peak=595 ppm1=1.179 ppm2=0.837

assign ( resid 82 and name H
  )
       ( resid 80 and name HA
  ) 5.5 3.7 0.0 volume=0.513 peak=844 ppm1=8.361 ppm2=4.165

assign ( resid 46 and name HG12
  )
       ( resid 47 and name HD2#
  ) 5.5 3.8 0.0 volume=0.431 peak=132 ppm1=1.259 ppm2=0.583

assign ( resid 86 and name H
  )
       ( resid 96 and name HD1#
  ) 4.5 2.7 0.0 volume=0.844 peak=913 ppm1=8.701 ppm2=0.859

assign ( resid 27 and name H
  )
       ( resid 26 and name H
  ) 3.5 1.7 0.0 volume=1.021 peak=801 ppm1=7.904 ppm2=8.493

assign ( resid 36 and name HD2
  )
       ( resid 36 and name HA
  ) 4.5 2.8 0.0 volume=0.523 peak=564 ppm1=3.120 ppm2=3.847

assign ( resid 20 and name HB#
  )
       ( resid 102 and name HB2
  ) 3.5 1.8 0.0 volume=0.621 peak=222 ppm1=1.322 ppm2=2.024

assign ( resid 26 and name H
  )
       ( resid 24 and name H
  ) 5.5 3.7 0.0 volume=0.356 peak=719 ppm1=8.501 ppm2=7.680

assign ( resid 28 and name H
  )
       ( resid 28 and name HB2
  ) 4.5 2.7 0.0 volume=0.845 peak=713 ppm1=9.315 ppm2=1.196

assign ( resid 79 and name HD1#
  )
       ( resid 79 and name HB2
  ) 3.5 1.8 0.0 volume=0.632 peak=392 ppm1=0.776 ppm2=1.628

assign ( resid 96 and name HD1#
  )
       ( resid 93 and name HA
  ) 3.5 1.8 0.0 volume=0.658 peak=170 ppm1=0.860 ppm2=4.084

assign ( resid 113 and name HB3
  )
       ( resid 113 and name HA
  ) 5.5 3.8 0.0 volume=0.290 peak=620 ppm1=3.205 ppm2=4.649

assign ( resid 30 and name HB2
  )
       ( resid 30 and name HA
  ) 3.5 1.8 0.0 volume=0.791 peak=159 ppm1=2.057 ppm2=4.177

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HE#
  ) 2.8 1.0 0.0 volume=3.236 peak=54 ppm1=7.185 ppm2=6.697

assign ( resid 75 and name HA
  )
       ( resid 75 and name HB2
  ) 5.5 3.8 0.0 volume=0.337 peak=211 ppm1=5.261 ppm2=2.796

assign ( resid 46 and name H
  )
       ( resid 81 and name HG2#
  ) 4.5 2.7 0.0 volume=0.854 peak=1143 ppm1=8.237 ppm2=1.297

assign ( resid 72 and name H
  )
       ( resid 72 and name HG
  ) 4.5 2.7 0.0 volume=0.672 peak=1249 ppm1=8.319 ppm2=0.990

assign ( resid 87 and name H
  )
       ( resid 88 and name H
  ) 4.5 2.7 0.0 volume=0.900 peak=791 ppm1=8.532 ppm2=7.786

assign ( resid 53 and name H
  )
       ( resid 53 and name HA
  ) 4.5 2.7 0.0 volume=0.762 peak=1083 ppm1=7.562 ppm2=3.988

assign ( resid 28 and name HD2#
  )
       ( resid 28 and name HG
  ) 3.5 1.8 0.0 volume=1.261 peak=330 ppm1=0.817 ppm2=2.068

assign ( resid 27 and name HB2
  )
       ( resid 27 and name HB3
  ) 3.5 1.8 0.0 volume=0.669 peak=431 ppm1=2.897 ppm2=3.199

assign ( resid 10 and name HA
  )
       ( resid 13 and name HB2
  ) 3.5 1.8 0.0 volume=1.053 peak=243 ppm1=4.092 ppm2=1.698

assign ( resid 54 and name H
  )
       ( resid 57 and name H
  ) 4.5 2.7 0.0 volume=0.737 peak=1111 ppm1=7.804 ppm2=7.495

assign ( resid 82 and name H
  )
       ( resid 81 and name H
  ) 4.5 2.7 0.0 volume=0.844 peak=935 ppm1=8.359 ppm2=8.164

assign ( resid 21 and name HB3
  )
       ( resid 21 and name HB2
  ) 3.5 1.8 0.0 volume=1.173 peak=508 ppm1=1.435 ppm2=1.980

assign ( resid 103 and name H
  )
       ( resid 103 and name HG2#
  ) 2.8 1.0 0.0 volume=2.201 peak=1170 ppm1=8.045 ppm2=0.966

assign ( resid 58 and name H
  )
       ( resid 57 and name HA
  ) 5.5 3.7 0.0 volume=0.475 peak=825 ppm1=7.606 ppm2=4.501

assign ( resid 88 and name HA
  )
       ( resid 88 and name HG3
  ) 3.5 1.8 0.0 volume=0.919 peak=504 ppm1=4.014 ppm2=1.685

assign ( resid 57 and name H
  )
       ( resid 58 and name H
  ) 3.5 1.7 0.0 volume=1.033 peak=860 ppm1=7.482 ppm2=7.627

assign ( resid 28 and name H
  )
       ( resid 29 and name H
  ) 4.5 2.7 0.0 volume=0.729 peak=994 ppm1=9.314 ppm2=8.721

assign ( resid 82 and name HD2#
  )
       ( resid 68 and name HD1#
  ) 3.5 1.8 0.0 volume=0.605 peak=309 ppm1=0.415 ppm2=1.185

assign ( resid 101 and name H
  )
       ( resid 98 and name HA
  ) 5.5 3.7 0.0 volume=0.557 peak=1191 ppm1=8.633 ppm2=4.079

assign ( resid 52 and name HG2#
  )
       ( resid 52 and name HB
  ) 3.5 1.8 0.0 volume=0.947 peak=343 ppm1=0.412 ppm2=3.104

assign ( resid 53 and name HG2
  )
       ( resid 53 and name HB3
  ) 4.5 2.8 0.0 volume=0.599 peak=386 ppm1=1.687 ppm2=1.970

assign ( resid 59 and name HG2#
  )
       ( resid 59 and name HB
  ) 3.5 1.8 0.0 volume=1.052 peak=193 ppm1=1.316 ppm2=4.579

assign ( resid 96 and name HD1#
  )
       ( resid 87 and name HA
  ) 4.5 2.8 0.0 volume=0.525 peak=166 ppm1=0.870 ppm2=3.889

assign ( resid 91 and name HB
  )
       ( resid 91 and name HG2#
  ) 5.5 3.8 0.0 volume=0.325 peak=377 ppm1=4.398 ppm2=1.308

assign ( resid 28 and name HA
  )
       ( resid 28 and name HB2
  ) 4.5 2.8 0.0 volume=0.558 peak=659 ppm1=3.779 ppm2=1.198

assign ( resid 78 and name H
  )
       ( resid 72 and name H
  ) 5.5 3.7 0.0 volume=0.493 peak=1197 ppm1=8.884 ppm2=8.304

assign ( resid 91 and name HA
  )
       ( resid 91 and name HG2#
  ) 5.5 3.8 0.0 volume=0.317 peak=358 ppm1=4.434 ppm2=1.299

assign ( resid 68 and name H
  )
       ( resid 69 and name H
  ) 4.5 2.7 0.0 volume=0.714 peak=1177 ppm1=8.087 ppm2=8.370

assign ( resid 32 and name HG2#
  )
       ( resid 32 and name HG12
  ) 4.5 2.8 0.0 volume=0.489 peak=264 ppm1=0.645 ppm2=1.407

assign ( resid 100 and name H
  )
       ( resid 100 and name HG2#
  ) 4.5 2.7 0.0 volume=0.856 peak=1123 ppm1=8.609 ppm2=1.261

assign ( resid 68 and name H
  )
       ( resid 68 and name HB3
  ) 2.8 1.0 0.0 volume=1.766 peak=735 ppm1=8.084 ppm2=1.529

assign ( resid 109 and name H
  )
       ( resid 109 and name HA
  ) 3.5 1.7 0.0 volume=1.172 peak=815 ppm1=7.734 ppm2=3.840

assign ( resid 33 and name HG13
  )
       ( resid 33 and name HG2#
  ) 4.5 2.8 0.0 volume=0.559 peak=327 ppm1=1.448 ppm2=0.797

assign ( resid 107 and name H
  )
       ( resid 106 and name HB3
  ) 2.8 1.0 0.0 volume=1.739 peak=990 ppm1=9.059 ppm2=1.983

assign ( resid 34 and name H
  )
       ( resid 33 and name HA
  ) 2.8 1.0 0.0 volume=1.810 peak=1037 ppm1=8.571 ppm2=4.177

assign ( resid 32 and name HA
  )
       ( resid 32 and name HB
  ) 5.5 3.8 0.0 volume=0.312 peak=323 ppm1=4.060 ppm2=1.782

assign ( resid 24 and name HD2#
  )
       ( resid 24 and name HA
  ) 3.5 1.8 0.0 volume=1.085 peak=84 ppm1=0.733 ppm2=4.570

assign ( resid 46 and name H
  )
       ( resid 46 and name HA
  ) 4.5 2.7 0.0 volume=0.603 peak=1184 ppm1=8.242 ppm2=3.902

assign ( resid 33 and name HG13
  )
       ( resid 33 and name HG12
  ) 2.8 1.1 0.0 volume=1.733 peak=381 ppm1=1.457 ppm2=1.286

assign ( resid 47 and name HD1#
  )
       ( resid 71 and name HB2
  ) 3.5 1.8 0.0 volume=0.731 peak=141 ppm1=0.588 ppm2=2.982

assign ( resid 98 and name H
  )
       ( resid 95 and name HA
  ) 4.5 2.7 0.0 volume=0.966 peak=986 ppm1=7.213 ppm2=3.976

assign ( resid 100 and name HG2#
  )
       ( resid 100 and name HA
  ) 3.5 1.8 0.0 volume=0.734 peak=477 ppm1=1.237 ppm2=3.747

assign ( resid 80 and name H
  )
       ( resid 81 and name H
  ) 3.5 1.7 0.0 volume=1.192 peak=776 ppm1=8.730 ppm2=8.163

assign ( resid 89 and name H
  )
       ( resid 89 and name HB2
  ) 3.5 1.7 0.0 volume=1.142 peak=712 ppm1=7.989 ppm2=1.981

assign ( resid 33 and name HA
  )
       ( resid 33 and name HG2#
  ) 4.5 2.8 0.0 volume=0.548 peak=116 ppm1=4.184 ppm2=0.812

assign ( resid 32 and name HB
  )
       ( resid 32 and name HG12
  ) 5.5 3.8 0.0 volume=0.319 peak=638 ppm1=1.764 ppm2=1.381

assign ( resid 52 and name H
  )
       ( resid 51 and name HB3
  ) 4.5 2.7 0.0 volume=0.981 peak=1030 ppm1=7.656 ppm2=2.502

assign ( resid 95 and name HB2
  )
       ( resid 86 and name HG2#
  ) 5.5 3.8 0.0 volume=0.368 peak=490 ppm1=1.148 ppm2=0.787


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLU  10           HT1      GLU  10 -14.688   5.118   9.396
    2    HA   GLU  10           HA       GLU  10 -15.221   4.106   7.271
    3    HB2  GLU  10           HB2      GLU  10 -12.954   3.472   6.523
    4    HB3  GLU  10           HB1      GLU  10 -12.975   4.964   7.454
    5    HG2  GLU  10           HG2      GLU  10 -12.215   3.911   9.331
    6    HG3  GLU  10           HG1      GLU  10 -12.342   2.295   8.642
    7    H    GLU  11           HN       GLU  11 -14.797   1.974   9.819
    8    HA   GLU  11           HA       GLU  11 -13.988  -0.401   9.131
    9    HB2  GLU  11           HB2      GLU  11 -15.680  -1.238  10.839
   10    HB3  GLU  11           HB1      GLU  11 -14.575   0.021  11.351
   11    HG2  GLU  11           HG2      GLU  11 -17.512   0.404  10.628
   12    HG3  GLU  11           HG1      GLU  11 -16.833   0.414  12.251
   13    H    ASP  12           HN       ASP  12 -17.470   0.425   8.681
   14    HA   ASP  12           HA       ASP  12 -18.193  -2.039   7.533
   15    HB2  ASP  12           HB2      ASP  12 -19.926  -0.581   8.342
   16    HB3  ASP  12           HB1      ASP  12 -19.444   0.704   7.247
   17    H    LEU  13           HN       LEU  13 -16.843   0.786   6.082
   18    HA   LEU  13           HA       LEU  13 -17.078  -0.284   3.358
   19    HB2  LEU  13           HB2      LEU  13 -15.889   2.390   4.231
   20    HB3  LEU  13           HB1      LEU  13 -16.237   1.860   2.612
   21    HG   LEU  13           HG       LEU  13 -18.696   1.829   3.291
   22   HD11  LEU  13          HD11      LEU  13 -18.460   1.902   5.691
   23   HD12  LEU  13          HD12      LEU  13 -19.365   3.300   5.113
   24   HD13  LEU  13          HD13      LEU  13 -17.674   3.479   5.588
   25   HD21  LEU  13          HD21      LEU  13 -18.941   4.241   2.934
   26   HD22  LEU  13          HD22      LEU  13 -17.778   3.518   1.826
   27   HD23  LEU  13          HD23      LEU  13 -17.214   4.440   3.227
   28    H    THR  14           HN       THR  14 -14.947  -0.358   5.920
   29    HA   THR  14           HA       THR  14 -12.689  -0.513   4.176
   30    HB   THR  14           HB       THR  14 -12.639  -0.479   7.201
   31    HG1  THR  14           HG1      THR  14 -11.579   1.663   6.366
   32   HG21  THR  14          HG21      THR  14 -10.716  -1.566   6.338
   33   HG22  THR  14          HG22      THR  14 -10.204   0.118   6.688
   34   HG23  THR  14          HG23      THR  14 -10.641  -0.418   5.035
   35    H    GLU  15           HN       GLU  15 -14.603  -2.827   5.911
   36    HA   GLU  15           HA       GLU  15 -12.926  -4.968   6.356
   37    HB2  GLU  15           HB2      GLU  15 -15.702  -4.958   5.183
   38    HB3  GLU  15           HB1      GLU  15 -14.911  -6.410   5.787
   39    HG2  GLU  15           HG2      GLU  15 -14.951  -5.662   7.993
   40    HG3  GLU  15           HG1      GLU  15 -15.203  -3.986   7.513
   41    H    VAL  16           HN       VAL  16 -14.019  -3.865   3.348
   42    HA   VAL  16           HA       VAL  16 -13.239  -5.803   1.528
   43    HB   VAL  16           HB       VAL  16 -13.261  -3.949  -0.139
   44   HG11  VAL  16          HG11      VAL  16 -15.587  -4.153   1.795
   45   HG12  VAL  16          HG12      VAL  16 -15.289  -5.246   0.436
   46   HG13  VAL  16          HG13      VAL  16 -15.684  -3.573   0.133
   47   HG21  VAL  16          HG21      VAL  16 -12.531  -2.110   1.027
   48   HG22  VAL  16          HG22      VAL  16 -13.332  -2.698   2.413
   49   HG23  VAL  16          HG23      VAL  16 -14.313  -1.845   1.201
   50    H    LYS  17           HN       LYS  17 -11.307  -3.562   3.209
   51    HA   LYS  17           HA       LYS  17  -9.447  -2.464   1.632
   52    HB2  LYS  17           HB2      LYS  17  -9.795  -2.244   4.112
   53    HB3  LYS  17           HB1      LYS  17  -8.731  -3.617   4.305
   54    HG2  LYS  17           HG2      LYS  17  -6.858  -2.386   3.489
   55    HG3  LYS  17           HG1      LYS  17  -7.894  -1.059   2.938
   56    HD2  LYS  17           HD2      LYS  17  -8.615  -0.721   5.308
   57    HD3  LYS  17           HD1      LYS  17  -7.434  -1.929   5.794
   58    HE2  LYS  17           HE2      LYS  17  -5.631  -0.530   5.078
   59    HE3  LYS  17           HE1      LYS  17  -6.749   0.608   4.321
   60    HZ1  LYS  17           HZ1      LYS  17  -5.829   1.235   6.564
   61    HZ2  LYS  17           HZ2      LYS  17  -6.783   0.048   7.247
   62    HZ3  LYS  17           HZ3      LYS  17  -7.511   1.346   6.441
   63    H    LYS  18           HN       LYS  18  -9.313  -5.904   2.476
   64    HA   LYS  18           HA       LYS  18  -6.625  -6.134   1.583
   65    HB2  LYS  18           HB2      LYS  18  -8.691  -8.261   2.122
   66    HB3  LYS  18           HB1      LYS  18  -7.151  -8.669   1.374
   67    HG2  LYS  18           HG2      LYS  18  -7.469  -7.298   4.041
   68    HG3  LYS  18           HG1      LYS  18  -7.149  -9.020   3.816
   69    HD2  LYS  18           HD2      LYS  18  -5.288  -7.062   2.510
   70    HD3  LYS  18           HD1      LYS  18  -5.188  -7.271   4.245
   71    HE2  LYS  18           HE2      LYS  18  -3.652  -8.554   2.797
   72    HE3  LYS  18           HE1      LYS  18  -4.492  -9.546   4.018
   73    HZ1  LYS  18           HZ1      LYS  18  -4.428 -10.776   2.095
   74    HZ2  LYS  18           HZ2      LYS  18  -4.658  -9.555   1.030
   75    HZ3  LYS  18           HZ3      LYS  18  -5.977 -10.170   1.958
   76    H    ASP  19           HN       ASP  19  -9.672  -6.303  -0.070
   77    HA   ASP  19           HA       ASP  19  -8.591  -7.198  -2.552
   78    HB2  ASP  19           HB2      ASP  19 -11.127  -5.633  -1.946
   79    HB3  ASP  19           HB1      ASP  19 -10.746  -6.377  -3.489
   80    H    ALA  20           HN       ALA  20  -9.427  -4.123  -1.080
   81    HA   ALA  20           HA       ALA  20  -8.849  -2.364  -3.184
   82    HB1  ALA  20           HB1      ALA  20  -8.426  -1.793  -0.246
   83    HB2  ALA  20           HB2      ALA  20  -9.952  -1.571  -1.103
   84    HB3  ALA  20           HB3      ALA  20  -8.543  -0.591  -1.516
   85    H    LEU  21           HN       LEU  21  -6.726  -3.692  -0.723
   86    HA   LEU  21           HA       LEU  21  -4.459  -2.179  -1.333
   87    HB2  LEU  21           HB2      LEU  21  -4.675  -4.909  -0.096
   88    HB3  LEU  21           HB1      LEU  21  -3.165  -4.042  -0.220
   89    HG   LEU  21           HG       LEU  21  -5.594  -3.183   1.357
   90   HD11  LEU  21          HD11      LEU  21  -2.906  -4.186   2.266
   91   HD12  LEU  21          HD12      LEU  21  -4.446  -5.038   2.384
   92   HD13  LEU  21          HD13      LEU  21  -4.181  -3.565   3.314
   93   HD21  LEU  21          HD21      LEU  21  -4.433  -1.221   0.512
   94   HD22  LEU  21          HD22      LEU  21  -2.892  -1.852   1.089
   95   HD23  LEU  21          HD23      LEU  21  -4.142  -1.392   2.242
   96    H    GLU  22           HN       GLU  22  -5.830  -4.850  -3.051
   97    HA   GLU  22           HA       GLU  22  -3.382  -5.557  -4.353
   98    HB2  GLU  22           HB2      GLU  22  -5.192  -7.217  -3.968
   99    HB3  GLU  22           HB1      GLU  22  -6.234  -6.312  -5.054
  100    HG2  GLU  22           HG2      GLU  22  -5.195  -8.315  -6.082
  101    HG3  GLU  22           HG1      GLU  22  -4.821  -6.808  -6.924
  102    H    ASN  23           HN       ASN  23  -6.364  -3.840  -5.343
  103    HA   ASN  23           HA       ASN  23  -5.191  -3.074  -7.832
  104    HB2  ASN  23           HB2      ASN  23  -7.066  -1.400  -8.010
  105    HB3  ASN  23           HB1      ASN  23  -7.616  -3.065  -7.781
  106   HD21  ASN  23          HD21      ASN  23  -7.490   0.138  -6.544
  107   HD22  ASN  23          HD22      ASN  23  -8.549  -0.144  -5.213
  108    H    LEU  24           HN       LEU  24  -5.083  -1.847  -4.692
  109    HA   LEU  24           HA       LEU  24  -4.064   0.723  -5.217
  110    HB2  LEU  24           HB2      LEU  24  -5.025   0.126  -3.098
  111    HB3  LEU  24           HB1      LEU  24  -3.828  -1.127  -2.888
  112    HG   LEU  24           HG       LEU  24  -2.748   1.603  -3.119
  113   HD11  LEU  24          HD11      LEU  24  -4.678   2.102  -1.898
  114   HD12  LEU  24          HD12      LEU  24  -3.340   2.042  -0.743
  115   HD13  LEU  24          HD13      LEU  24  -4.506   0.689  -0.858
  116   HD21  LEU  24          HD21      LEU  24  -1.366   0.743  -1.252
  117   HD22  LEU  24          HD22      LEU  24  -1.359  -0.317  -2.665
  118   HD23  LEU  24          HD23      LEU  24  -2.335  -0.738  -1.259
  119    H    ARG  25           HN       ARG  25  -2.576  -2.426  -4.931
  120    HA   ARG  25           HA       ARG  25   0.097  -1.796  -4.694
  121    HB2  ARG  25           HB2      ARG  25  -0.821  -4.081  -4.626
  122    HB3  ARG  25           HB1      ARG  25  -1.121  -4.019  -6.362
  123    HG2  ARG  25           HG2      ARG  25   1.473  -3.480  -6.406
  124    HG3  ARG  25           HG1      ARG  25   1.428  -4.331  -4.864
  125    HD2  ARG  25           HD2      ARG  25   0.531  -5.382  -7.550
  126    HD3  ARG  25           HD1      ARG  25   1.960  -5.872  -6.661
  127    HE   ARG  25           HE       ARG  25  -0.843  -6.506  -5.951
  128   HH11  ARG  25          HH11      ARG  25   2.599  -7.223  -5.671
  129   HH12  ARG  25          HH12      ARG  25   2.381  -8.769  -4.991
  130   HH21  ARG  25          HH21      ARG  25  -1.188  -8.568  -5.042
  131   HH22  ARG  25          HH22      ARG  25   0.124  -9.552  -4.583
  132    H    VAL  26           HN       VAL  26  -1.887  -2.033  -7.605
  133    HA   VAL  26           HA       VAL  26   0.344  -1.558  -9.295
  134    HB   VAL  26           HB       VAL  26  -1.450  -2.988 -10.104
  135   HG11  VAL  26          HG11      VAL  26  -3.186  -0.541 -10.189
  136   HG12  VAL  26          HG12      VAL  26  -3.376  -1.937  -9.130
  137   HG13  VAL  26          HG13      VAL  26  -3.593  -2.117 -10.870
  138   HG21  VAL  26          HG21      VAL  26  -1.699  -2.087 -12.380
  139   HG22  VAL  26          HG22      VAL  26  -0.052  -1.928 -11.769
  140   HG23  VAL  26          HG23      VAL  26  -1.116  -0.523 -11.806
  141    H    TYR  27           HN       TYR  27  -2.284   0.609  -8.207
  142    HA   TYR  27           HA       TYR  27  -1.269   2.669  -9.962
  143    HB2  TYR  27           HB2      TYR  27  -2.978   4.204  -9.069
  144    HB3  TYR  27           HB1      TYR  27  -3.664   2.704  -9.654
  145    HD1  TYR  27           HD1      TYR  27  -2.331   3.974  -6.293
  146    HD2  TYR  27           HD2      TYR  27  -5.466   2.009  -8.452
  147    HE1  TYR  27           HE1      TYR  27  -3.571   3.686  -4.230
  148    HE2  TYR  27           HE2      TYR  27  -6.722   1.749  -6.385
  149    HH   TYR  27           HH       TYR  27  -5.863   3.381  -3.487
  150    H    LEU  28           HN       LEU  28  -0.613   1.779  -6.752
  151    HA   LEU  28           HA       LEU  28   0.434   4.403  -6.172
  152    HB2  LEU  28           HB2      LEU  28  -0.276   2.069  -4.613
  153    HB3  LEU  28           HB1      LEU  28   1.187   2.891  -3.992
  154    HG   LEU  28           HG       LEU  28  -1.713   3.665  -4.165
  155   HD11  LEU  28          HD11      LEU  28  -0.962   2.412  -2.268
  156   HD12  LEU  28          HD12      LEU  28  -1.449   4.041  -1.811
  157   HD13  LEU  28          HD13      LEU  28   0.262   3.631  -1.923
  158   HD21  LEU  28          HD21      LEU  28  -1.094   5.897  -3.332
  159   HD22  LEU  28          HD22      LEU  28  -0.547   5.635  -4.978
  160   HD23  LEU  28          HD23      LEU  28   0.603   5.527  -3.638
  161    H    CYS  29           HN       CYS  29   1.657   1.264  -6.975
  162    HA   CYS  29           HA       CYS  29   4.167   1.166  -6.029
  163    HB2  CYS  29           HB2      CYS  29   3.355  -0.696  -7.113
  164    HB3  CYS  29           HB1      CYS  29   3.043   0.179  -8.601
  165    HG   CYS  29           HG       CYS  29   6.176   0.417  -8.037
  166    H    GLU  30           HN       GLU  30   3.401   3.342  -8.740
  167    HA   GLU  30           HA       GLU  30   6.239   3.716  -9.014
  168    HB2  GLU  30           HB2      GLU  30   5.343   5.306 -11.004
  169    HB3  GLU  30           HB1      GLU  30   5.702   3.600 -11.193
  170    HG2  GLU  30           HG2      GLU  30   3.596   4.153 -12.249
  171    HG3  GLU  30           HG1      GLU  30   3.328   3.074 -10.887
  172    H    LYS  31           HN       LYS  31   3.482   5.538  -8.018
  173    HA   LYS  31           HA       LYS  31   5.094   7.970  -7.596
  174    HB2  LYS  31           HB2      LYS  31   2.152   7.457  -7.207
  175    HB3  LYS  31           HB1      LYS  31   2.930   9.024  -7.033
  176    HG2  LYS  31           HG2      LYS  31   3.523   9.036  -9.380
  177    HG3  LYS  31           HG1      LYS  31   2.869   7.412  -9.579
  178    HD2  LYS  31           HD2      LYS  31   1.277   9.864  -8.800
  179    HD3  LYS  31           HD1      LYS  31   1.330   9.151 -10.410
  180    HE2  LYS  31           HE2      LYS  31   0.289   7.808  -7.906
  181    HE3  LYS  31           HE1      LYS  31  -0.696   8.472  -9.207
  182    HZ1  LYS  31           HZ1      LYS  31   1.200   6.192  -9.399
  183    HZ2  LYS  31           HZ2      LYS  31   0.461   6.766 -10.687
  184    HZ3  LYS  31           HZ3      LYS  31  -0.442   6.039  -9.418
  185    H    ILE  32           HN       ILE  32   4.635   5.323  -5.964
  186    HA   ILE  32           HA       ILE  32   3.899   6.113  -3.355
  187    HB   ILE  32           HB       ILE  32   3.550   3.804  -4.328
  188   HG12  ILE  32          HG12      ILE  32   5.210   3.307  -1.864
  189   HG13  ILE  32          HG11      ILE  32   3.770   4.340  -1.700
  190   HG21  ILE  32          HG21      ILE  32   5.674   3.519  -5.399
  191   HG22  ILE  32          HG22      ILE  32   5.420   2.221  -4.225
  192   HG23  ILE  32          HG23      ILE  32   6.499   3.557  -3.838
  193   HD11  ILE  32          HD11      ILE  32   3.403   2.000  -1.117
  194   HD12  ILE  32          HD12      ILE  32   3.814   1.539  -2.776
  195   HD13  ILE  32          HD13      ILE  32   2.394   2.532  -2.452
  196    H    ILE  33           HN       ILE  33   5.133   5.541  -1.602
  197    HA   ILE  33           HA       ILE  33   7.533   6.600  -0.993
  198    HB   ILE  33           HB       ILE  33   7.544   5.391   1.022
  199   HG12  ILE  33          HG12      ILE  33   5.114   3.788   0.143
  200   HG13  ILE  33          HG11      ILE  33   6.726   3.083   0.148
  201   HG21  ILE  33          HG21      ILE  33   5.225   5.980   1.805
  202   HG22  ILE  33          HG22      ILE  33   4.799   5.987   0.082
  203   HG23  ILE  33          HG23      ILE  33   5.925   7.210   0.702
  204   HD11  ILE  33          HD11      ILE  33   5.504   2.449   2.134
  205   HD12  ILE  33          HD12      ILE  33   5.190   4.141   2.511
  206   HD13  ILE  33          HD13      ILE  33   6.836   3.515   2.578
  207    H    ALA  34           HN       ALA  34   8.221   3.806   0.197
  208    HA   ALA  34           HA       ALA  34  10.507   3.360   0.548
  209    HB1  ALA  34           HB1      ALA  34  10.212   1.219   0.224
  210    HB2  ALA  34           HB2      ALA  34   9.240   1.560  -1.221
  211    HB3  ALA  34           HB3      ALA  34   8.577   1.952   0.302
  212    H    GLU  35           HN       GLU  35   9.767   3.637  -2.871
  213    HA   GLU  35           HA       GLU  35  12.270   2.423  -3.442
  214    HB2  GLU  35           HB2      GLU  35  10.190   2.046  -4.834
  215    HB3  GLU  35           HB1      GLU  35  10.236   3.738  -5.293
  216    HG2  GLU  35           HG2      GLU  35  12.402   1.739  -5.963
  217    HG3  GLU  35           HG1      GLU  35  11.033   2.103  -7.002
  218    H    ARG  36           HN       ARG  36  11.011   5.299  -2.299
  219    HA   ARG  36           HA       ARG  36  12.114   7.228  -4.058
  220    HB2  ARG  36           HB2      ARG  36  11.079   7.431  -1.240
  221    HB3  ARG  36           HB1      ARG  36  11.626   8.862  -2.157
  222    HG2  ARG  36           HG2      ARG  36   9.336   6.972  -2.672
  223    HG3  ARG  36           HG1      ARG  36   9.250   8.665  -2.212
  224    HD2  ARG  36           HD2      ARG  36   8.729   8.672  -4.498
  225    HD3  ARG  36           HD1      ARG  36  10.420   9.139  -4.458
  226    HE   ARG  36           HE       ARG  36  10.942   6.801  -5.145
  227   HH11  ARG  36          HH11      ARG  36   7.613   7.875  -5.673
  228   HH12  ARG  36          HH12      ARG  36   7.389   6.887  -7.053
  229   HH21  ARG  36          HH21      ARG  36  10.588   5.463  -7.008
  230   HH22  ARG  36          HH22      ARG  36   9.069   5.499  -7.789
  231    H    HIS  37           HN       HIS  37  13.629   7.345  -0.581
  232    HA   HIS  37           HA       HIS  37  15.805   6.441  -2.346
  233    HB2  HIS  37           HB2      HIS  37  16.076   7.234   0.587
  234    HB3  HIS  37           HB1      HIS  37  17.400   6.940  -0.541
  235    HD1  HIS  37           HD1      HIS  37  16.287   8.658  -2.918
  236    HD2  HIS  37           HD2      HIS  37  16.382   9.909   1.045
  237    HE1  HIS  37           HE1      HIS  37  16.256  11.165  -3.004
  238    HE2  HIS  37           HE2      HIS  37  15.892  11.817  -0.604
  239    H    PHE  38           HN       PHE  38  15.917   5.499   0.984
  240    HA   PHE  38           HA       PHE  38  14.184   3.194   0.687
  241    HB2  PHE  38           HB2      PHE  38  16.249   3.895   2.784
  242    HB3  PHE  38           HB1      PHE  38  15.057   2.624   3.023
  243    HD1  PHE  38           HD1      PHE  38  15.157   0.559   1.766
  244    HD2  PHE  38           HD2      PHE  38  18.082   3.606   1.220
  245    HE1  PHE  38           HE1      PHE  38  16.603  -1.046   0.599
  246    HE2  PHE  38           HE2      PHE  38  19.537   2.002   0.052
  247    HZ   PHE  38           HZ       PHE  38  18.798  -0.327  -0.260
  248    H    ASP  39           HN       ASP  39  14.272   6.339   1.573
  249    HA   ASP  39           HA       ASP  39  13.986   6.650   4.187
  250    HB2  ASP  39           HB2      ASP  39  12.984   8.909   3.748
  251    HB3  ASP  39           HB1      ASP  39  14.502   8.528   2.943
  252    H    HIS  40           HN       HIS  40  10.985   7.191   2.380
  253    HA   HIS  40           HA       HIS  40   9.571   7.383   4.793
  254    HB2  HIS  40           HB2      HIS  40   8.465   6.995   2.008
  255    HB3  HIS  40           HB1      HIS  40   7.464   7.345   3.416
  256    HD1  HIS  40           HD1      HIS  40   7.736   9.335   0.900
  257    HD2  HIS  40           HD2      HIS  40   9.790   9.646   4.522
  258    HE1  HIS  40           HE1      HIS  40   8.486  11.678   1.048
  259    HE2  HIS  40           HE2      HIS  40  10.033  11.702   3.007
  260    H    LEU  41           HN       LEU  41  10.512   4.624   3.222
  261    HA   LEU  41           HA       LEU  41   8.479   2.923   4.415
  262    HB2  LEU  41           HB2      LEU  41   9.345   2.729   2.112
  263    HB3  LEU  41           HB1      LEU  41  10.905   2.301   2.762
  264    HG   LEU  41           HG       LEU  41   9.494   0.447   1.819
  265   HD11  LEU  41          HD11      LEU  41  10.472   0.172   4.618
  266   HD12  LEU  41          HD12      LEU  41  11.337  -0.047   3.075
  267   HD13  LEU  41          HD13      LEU  41  10.036  -1.152   3.516
  268   HD21  LEU  41          HD21      LEU  41   7.724  -0.450   3.209
  269   HD22  LEU  41          HD22      LEU  41   7.374   1.183   2.657
  270   HD23  LEU  41          HD23      LEU  41   7.901   0.916   4.316
  271    H    ARG  42           HN       ARG  42  11.896   3.688   4.618
  272    HA   ARG  42           HA       ARG  42  12.600   1.747   6.622
  273    HB2  ARG  42           HB2      ARG  42  14.223   2.685   5.006
  274    HB3  ARG  42           HB1      ARG  42  14.065   4.280   5.756
  275    HG2  ARG  42           HG2      ARG  42  16.097   3.236   6.429
  276    HG3  ARG  42           HG1      ARG  42  15.005   3.217   7.817
  277    HD2  ARG  42           HD2      ARG  42  16.164   1.096   7.558
  278    HD3  ARG  42           HD1      ARG  42  14.425   0.888   7.339
  279    HE   ARG  42           HE       ARG  42  15.862   1.296   4.903
  280   HH11  ARG  42          HH11      ARG  42  14.899  -1.224   7.242
  281   HH12  ARG  42          HH12      ARG  42  15.013  -2.493   6.107
  282   HH21  ARG  42          HH21      ARG  42  16.039  -0.565   3.365
  283   HH22  ARG  42          HH22      ARG  42  15.656  -2.123   3.958
  284    H    ALA  43           HN       ALA  43  10.942   4.657   6.685
  285    HA   ALA  43           HA       ALA  43  11.513   5.723   9.185
  286    HB1  ALA  43           HB1      ALA  43  10.044   6.803   7.503
  287    HB2  ALA  43           HB2      ALA  43   9.296   6.709   9.099
  288    HB3  ALA  43           HB3      ALA  43   8.812   5.579   7.842
  289    H    LYS  44           HN       LYS  44   9.091   3.242   8.280
  290    HA   LYS  44           HA       LYS  44   8.708   2.806  11.149
  291    HB2  LYS  44           HB2      LYS  44   7.041   2.055   8.792
  292    HB3  LYS  44           HB1      LYS  44   6.788   1.336  10.370
  293    HG2  LYS  44           HG2      LYS  44   6.368   3.588  11.298
  294    HG3  LYS  44           HG1      LYS  44   6.547   4.262   9.668
  295    HD2  LYS  44           HD2      LYS  44   4.742   3.076   8.851
  296    HD3  LYS  44           HD1      LYS  44   4.659   2.020  10.275
  297    HE2  LYS  44           HE2      LYS  44   2.828   3.502  10.419
  298    HE3  LYS  44           HE1      LYS  44   4.017   4.069  11.578
  299    HZ1  LYS  44           HZ1      LYS  44   3.732   5.259   8.858
  300    HZ2  LYS  44           HZ2      LYS  44   4.463   5.961  10.246
  301    HZ3  LYS  44           HZ3      LYS  44   2.793   5.646  10.183
  302    H    LYS  45           HN       LYS  45  10.006   1.177   8.341
  303    HA   LYS  45           HA       LYS  45  11.067  -0.842   8.106
  304    HB2  LYS  45           HB2      LYS  45  11.511  -0.548  11.076
  305    HB3  LYS  45           HB1      LYS  45  12.389  -1.652  10.026
  306    HG2  LYS  45           HG2      LYS  45  13.407   0.145   8.843
  307    HG3  LYS  45           HG1      LYS  45  12.337   1.305   9.596
  308    HD2  LYS  45           HD2      LYS  45  14.361  -0.325  11.126
  309    HD3  LYS  45           HD1      LYS  45  14.622   1.330  10.569
  310    HE2  LYS  45           HE2      LYS  45  12.514   0.397  12.545
  311    HE3  LYS  45           HE1      LYS  45  13.941   1.359  12.892
  312    HZ1  LYS  45           HZ1      LYS  45  11.986   2.782  12.754
  313    HZ2  LYS  45           HZ2      LYS  45  11.623   2.221  11.230
  314    HZ3  LYS  45           HZ3      LYS  45  12.995   3.146  11.451
  315    H    ILE  46           HN       ILE  46   8.747  -1.456   7.774
  316    HA   ILE  46           HA       ILE  46   6.933  -2.773   9.264
  317    HB   ILE  46           HB       ILE  46   7.746  -4.109   6.700
  318   HG12  ILE  46          HG12      ILE  46   6.077  -2.346   5.656
  319   HG13  ILE  46          HG11      ILE  46   6.682  -1.354   6.984
  320   HG21  ILE  46          HG21      ILE  46   4.966  -3.521   7.703
  321   HG22  ILE  46          HG22      ILE  46   5.874  -5.017   7.991
  322   HG23  ILE  46          HG23      ILE  46   5.437  -4.608   6.366
  323   HD11  ILE  46          HD11      ILE  46   8.025  -0.917   5.110
  324   HD12  ILE  46          HD12      ILE  46   8.272  -2.631   4.788
  325   HD13  ILE  46          HD13      ILE  46   9.007  -1.899   6.198
  326    H    LEU  47           HN       LEU  47   9.572  -4.437   7.571
  327    HA   LEU  47           HA       LEU  47   9.249  -6.714   9.362
  328    HB2  LEU  47           HB2      LEU  47   9.809  -6.845   6.420
  329    HB3  LEU  47           HB1      LEU  47   9.510  -8.191   7.504
  330    HG   LEU  47           HG       LEU  47   7.503  -6.102   6.635
  331   HD11  LEU  47          HD11      LEU  47   6.404  -7.732   5.614
  332   HD12  LEU  47          HD12      LEU  47   7.454  -8.994   6.347
  333   HD13  LEU  47          HD13      LEU  47   8.111  -7.901   5.098
  334   HD21  LEU  47          HD21      LEU  47   7.085  -6.724   8.957
  335   HD22  LEU  47          HD22      LEU  47   6.983  -8.437   8.455
  336   HD23  LEU  47          HD23      LEU  47   5.864  -7.219   7.789
  337    H    SER  48           HN       SER  48  11.488  -8.120   7.894
  338    HA   SER  48           HA       SER  48  13.531  -6.856   9.461
  339    HB2  SER  48           HB2      SER  48  13.535  -9.471   7.947
  340    HB3  SER  48           HB1      SER  48  14.769  -8.931   9.087
  341    HG   SER  48           HG       SER  48  12.133  -9.725   9.531
  342    H    ARG  49           HN       ARG  49  15.812  -7.388   8.377
  343    HA   ARG  49           HA       ARG  49  16.370  -5.325   6.569
  344    HB2  ARG  49           HB2      ARG  49  18.141  -6.207   8.083
  345    HB3  ARG  49           HB1      ARG  49  18.034  -7.763   7.216
  346    HG2  ARG  49           HG2      ARG  49  18.934  -6.590   5.383
  347    HG3  ARG  49           HG1      ARG  49  18.877  -5.080   6.320
  348    HD2  ARG  49           HD2      ARG  49  20.918  -5.849   6.656
  349    HD3  ARG  49           HD1      ARG  49  20.102  -6.270   8.108
  350    HE   ARG  49           HE       ARG  49  19.887  -8.412   6.252
  351   HH11  ARG  49          HH11      ARG  49  22.274  -7.116   8.511
  352   HH12  ARG  49          HH12      ARG  49  22.876  -8.650   8.974
  353   HH21  ARG  49          HH21      ARG  49  20.560 -10.397   6.900
  354   HH22  ARG  49          HH22      ARG  49  21.859 -10.670   7.978
  355    H    GLU  50           HN       GLU  50  16.338  -8.855   6.016
  356    HA   GLU  50           HA       GLU  50  16.980  -8.665   3.312
  357    HB2  GLU  50           HB2      GLU  50  16.033 -10.885   5.055
  358    HB3  GLU  50           HB1      GLU  50  16.006 -11.114   3.313
  359    HG2  GLU  50           HG2      GLU  50  18.065 -11.984   4.373
  360    HG3  GLU  50           HG1      GLU  50  18.381 -10.747   3.164
  361    H    ASP  51           HN       ASP  51  13.856  -8.699   4.881
  362    HA   ASP  51           HA       ASP  51  12.217  -9.077   2.664
  363    HB2  ASP  51           HB2      ASP  51  11.770  -7.169   4.971
  364    HB3  ASP  51           HB1      ASP  51  10.528  -7.844   3.923
  365    H    THR  52           HN       THR  52  13.647  -6.189   4.022
  366    HA   THR  52           HA       THR  52  12.633  -4.529   1.949
  367    HB   THR  52           HB       THR  52  14.012  -2.686   2.919
  368    HG1  THR  52           HG1      THR  52  15.207  -4.789   4.232
  369   HG21  THR  52          HG21      THR  52  12.343  -4.226   4.935
  370   HG22  THR  52          HG22      THR  52  11.727  -3.058   3.775
  371   HG23  THR  52          HG23      THR  52  12.791  -2.531   5.065
  372    H    ARG  53           HN       ARG  53  15.169  -6.666   1.922
  373    HA   ARG  53           HA       ARG  53  17.007  -5.164   0.345
  374    HB2  ARG  53           HB2      ARG  53  16.828  -8.118   0.895
  375    HB3  ARG  53           HB1      ARG  53  18.030  -7.432  -0.183
  376    HG2  ARG  53           HG2      ARG  53  17.725  -6.819   2.759
  377    HG3  ARG  53           HG1      ARG  53  18.970  -7.835   2.025
  378    HD2  ARG  53           HD2      ARG  53  18.576  -4.857   1.704
  379    HD3  ARG  53           HD1      ARG  53  19.931  -5.692   2.455
  380    HE   ARG  53           HE       ARG  53  20.064  -6.696   0.042
  381   HH11  ARG  53          HH11      ARG  53  19.788  -3.322   1.082
  382   HH12  ARG  53          HH12      ARG  53  20.320  -2.653  -0.396
  383   HH21  ARG  53          HH21      ARG  53  20.848  -5.755  -2.020
  384   HH22  ARG  53          HH22      ARG  53  20.958  -4.065  -2.181
  385    H    GLU  54           HN       GLU  54  14.302  -7.290  -0.486
  386    HA   GLU  54           HA       GLU  54  15.003  -7.583  -3.240
  387    HB2  GLU  54           HB2      GLU  54  13.010  -8.601  -1.537
  388    HB3  GLU  54           HB1      GLU  54  12.137  -7.713  -2.775
  389    HG2  GLU  54           HG2      GLU  54  14.126  -9.934  -3.275
  390    HG3  GLU  54           HG1      GLU  54  12.376 -10.087  -3.340
  391    H    ILE  55           HN       ILE  55  13.608  -5.076  -1.470
  392    HA   ILE  55           HA       ILE  55  12.434  -3.774  -3.749
  393    HB   ILE  55           HB       ILE  55  11.140  -2.752  -2.146
  394   HG12  ILE  55          HG12      ILE  55  13.694  -1.628  -0.946
  395   HG13  ILE  55          HG11      ILE  55  12.803  -0.885  -2.264
  396   HG21  ILE  55          HG21      ILE  55  12.892  -3.974  -0.098
  397   HG22  ILE  55          HG22      ILE  55  11.466  -4.680  -0.851
  398   HG23  ILE  55          HG23      ILE  55  11.306  -3.248   0.173
  399   HD11  ILE  55          HD11      ILE  55  10.890  -0.598  -0.767
  400   HD12  ILE  55          HD12      ILE  55  12.331   0.244  -0.226
  401   HD13  ILE  55          HD13      ILE  55  11.845  -1.268   0.564
  402    H    SER  56           HN       SER  56  15.488  -3.906  -2.259
  403    HA   SER  56           HA       SER  56  16.502  -1.353  -3.141
  404    HB2  SER  56           HB2      SER  56  17.438  -2.480  -1.156
  405    HB3  SER  56           HB1      SER  56  17.944  -3.835  -2.158
  406    HG   SER  56           HG       SER  56  19.059  -1.929  -3.344
  407    H    CYS  57           HN       CYS  57  15.890  -4.288  -4.486
  408    HA   CYS  57           HA       CYS  57  17.700  -4.604  -6.518
  409    HB2  CYS  57           HB2      CYS  57  14.889  -5.597  -6.269
  410    HB3  CYS  57           HB1      CYS  57  16.027  -6.125  -7.509
  411    HG   CYS  57           HG       CYS  57  15.656  -7.890  -5.237
  412    H    ARG  58           HN       ARG  58  15.788  -2.109  -6.241
  413    HA   ARG  58           HA       ARG  58  13.938  -1.318  -7.758
  414    HB2  ARG  58           HB2      ARG  58  14.718   0.918  -7.786
  415    HB3  ARG  58           HB1      ARG  58  15.155   0.107  -6.289
  416    HG2  ARG  58           HG2      ARG  58  17.438  -0.215  -7.147
  417    HG3  ARG  58           HG1      ARG  58  16.988   0.653  -8.618
  418    HD2  ARG  58           HD2      ARG  58  18.106   2.162  -7.127
  419    HD3  ARG  58           HD1      ARG  58  16.401   2.607  -7.221
  420    HE   ARG  58           HE       ARG  58  17.592   1.078  -5.027
  421   HH11  ARG  58          HH11      ARG  58  15.079   3.336  -6.199
  422   HH12  ARG  58          HH12      ARG  58  14.632   3.844  -4.689
  423   HH21  ARG  58          HH21      ARG  58  16.871   1.762  -2.867
  424   HH22  ARG  58          HH22      ARG  58  15.642   2.939  -2.758
  425    H    THR  59           HN       THR  59  16.107  -2.714  -9.702
  426    HA   THR  59           HA       THR  59  16.261  -1.498 -12.157
  427    HB   THR  59           HB       THR  59  16.870  -3.873 -11.575
  428    HG1  THR  59           HG1      THR  59  16.740  -4.358 -13.654
  429   HG21  THR  59          HG21      THR  59  13.920  -4.413 -11.940
  430   HG22  THR  59          HG22      THR  59  14.657  -4.193 -10.399
  431   HG23  THR  59          HG23      THR  59  15.154  -5.586 -11.410
  432    H    SER  60           HN       SER  60  14.551  -2.406 -14.024
  433    HA   SER  60           HA       SER  60  12.797  -0.652 -14.697
  434    HB2  SER  60           HB2      SER  60  11.267  -2.451 -15.665
  435    HB3  SER  60           HB1      SER  60  12.982  -2.519 -16.085
  436    HG   SER  60           HG       SER  60  12.755  -3.847 -13.882
  437    H    SER  61           HN       SER  61  11.036   0.385 -14.277
  438    HA   SER  61           HA       SER  61  10.193   1.154 -11.995
  439    HB2  SER  61           HB2      SER  61   8.388   0.944 -14.369
  440    HB3  SER  61           HB1      SER  61   8.333   2.155 -13.082
  441    HG   SER  61           HG       SER  61   9.509   2.760 -15.070
  442    H    ARG  62           HN       ARG  62   8.700  -1.741 -13.343
  443    HA   ARG  62           HA       ARG  62   6.388  -1.618 -11.602
  444    HB2  ARG  62           HB2      ARG  62   6.284  -2.548 -13.892
  445    HB3  ARG  62           HB1      ARG  62   7.374  -3.828 -13.409
  446    HG2  ARG  62           HG2      ARG  62   5.305  -4.861 -13.350
  447    HG3  ARG  62           HG1      ARG  62   5.558  -4.416 -11.667
  448    HD2  ARG  62           HD2      ARG  62   3.907  -2.865 -13.670
  449    HD3  ARG  62           HD1      ARG  62   3.260  -3.955 -12.458
  450    HE   ARG  62           HE       ARG  62   4.674  -2.153 -11.014
  451   HH11  ARG  62          HH11      ARG  62   2.101  -1.861 -13.442
  452   HH12  ARG  62          HH12      ARG  62   1.425  -0.439 -12.785
  453   HH21  ARG  62          HH21      ARG  62   3.746  -0.173 -10.133
  454   HH22  ARG  62          HH22      ARG  62   2.351   0.523 -10.820
  455    H    LYS  63           HN       LYS  63   9.516  -3.236 -11.508
  456    HA   LYS  63           HA       LYS  63   8.599  -5.235  -9.618
  457    HB2  LYS  63           HB2      LYS  63  10.622  -5.291 -11.389
  458    HB3  LYS  63           HB1      LYS  63  11.525  -4.692 -10.013
  459    HG2  LYS  63           HG2      LYS  63  10.002  -7.312 -10.159
  460    HG3  LYS  63           HG1      LYS  63  11.748  -7.114 -10.200
  461    HD2  LYS  63           HD2      LYS  63  10.111  -6.174  -7.860
  462    HD3  LYS  63           HD1      LYS  63  10.627  -7.847  -8.003
  463    HE2  LYS  63           HE2      LYS  63  12.647  -5.648  -8.216
  464    HE3  LYS  63           HE1      LYS  63  12.043  -6.127  -6.630
  465    HZ1  LYS  63           HZ1      LYS  63  13.389  -8.004  -8.561
  466    HZ2  LYS  63           HZ2      LYS  63  12.703  -8.346  -7.038
  467    HZ3  LYS  63           HZ3      LYS  63  13.999  -7.432  -7.073
  468    H    ARG  64           HN       ARG  64  10.185  -2.200  -9.556
  469    HA   ARG  64           HA       ARG  64  11.747  -2.152  -7.317
  470    HB2  ARG  64           HB2      ARG  64  10.044   0.175  -8.147
  471    HB3  ARG  64           HB1      ARG  64  11.603   0.191  -7.331
  472    HG2  ARG  64           HG2      ARG  64  12.564  -0.908  -9.434
  473    HG3  ARG  64           HG1      ARG  64  10.996  -0.611 -10.123
  474    HD2  ARG  64           HD2      ARG  64  12.624   1.616  -8.949
  475    HD3  ARG  64           HD1      ARG  64  12.654   1.169 -10.651
  476    HE   ARG  64           HE       ARG  64  10.028   1.514 -10.073
  477   HH11  ARG  64          HH11      ARG  64  12.848   3.552  -9.532
  478   HH12  ARG  64          HH12      ARG  64  12.150   5.017  -9.944
  479   HH21  ARG  64          HH21      ARG  64   8.932   3.584 -10.696
  480   HH22  ARG  64          HH22      ARG  64   9.843   5.028 -10.671
  481    H    ALA  65           HN       ALA  65   8.555  -0.546  -7.154
  482    HA   ALA  65           HA       ALA  65   8.563  -1.085  -4.319
  483    HB1  ALA  65           HB1      ALA  65   6.569   0.490  -5.975
  484    HB2  ALA  65           HB2      ALA  65   7.887   1.178  -5.027
  485    HB3  ALA  65           HB3      ALA  65   6.561   0.409  -4.214
  486    H    GLY  66           HN       GLY  66   7.584  -2.554  -7.103
  487    HA2  GLY  66           HA2      GLY  66   5.004  -3.533  -6.614
  488    HA3  GLY  66           HA1      GLY  66   6.185  -4.246  -7.704
  489    H    LYS  67           HN       LYS  67   8.176  -5.015  -6.018
  490    HA   LYS  67           HA       LYS  67   6.970  -7.265  -4.718
  491    HB2  LYS  67           HB2      LYS  67   9.775  -6.397  -5.140
  492    HB3  LYS  67           HB1      LYS  67   9.453  -7.535  -3.847
  493    HG2  LYS  67           HG2      LYS  67   8.646  -7.984  -6.720
  494    HG3  LYS  67           HG1      LYS  67  10.162  -8.550  -6.019
  495    HD2  LYS  67           HD2      LYS  67   9.022 -10.434  -5.544
  496    HD3  LYS  67           HD1      LYS  67   8.304  -9.505  -4.235
  497    HE2  LYS  67           HE2      LYS  67   6.428  -8.901  -5.744
  498    HE3  LYS  67           HE1      LYS  67   7.164  -9.887  -7.004
  499    HZ1  LYS  67           HZ1      LYS  67   6.123 -10.802  -4.387
  500    HZ2  LYS  67           HZ2      LYS  67   6.916 -11.836  -5.445
  501    HZ3  LYS  67           HZ3      LYS  67   5.431 -11.110  -5.862
  502    H    LEU  68           HN       LEU  68   8.103  -4.170  -3.691
  503    HA   LEU  68           HA       LEU  68   8.390  -4.700  -0.968
  504    HB2  LEU  68           HB2      LEU  68   9.108  -2.496  -1.680
  505    HB3  LEU  68           HB1      LEU  68   7.512  -2.163  -2.344
  506    HG   LEU  68           HG       LEU  68   6.679  -2.432   0.007
  507   HD11  LEU  68          HD11      LEU  68   8.438  -3.468   1.052
  508   HD12  LEU  68          HD12      LEU  68   8.169  -1.898   1.796
  509   HD13  LEU  68          HD13      LEU  68   9.545  -2.129   0.701
  510   HD21  LEU  68          HD21      LEU  68   6.887  -0.229  -1.165
  511   HD22  LEU  68          HD22      LEU  68   8.475  -0.038  -0.393
  512   HD23  LEU  68          HD23      LEU  68   7.048  -0.139   0.575
  513    H    LEU  69           HN       LEU  69   5.545  -3.515  -2.699
  514    HA   LEU  69           HA       LEU  69   4.018  -3.474  -0.295
  515    HB2  LEU  69           HB2      LEU  69   2.584  -3.571  -2.931
  516    HB3  LEU  69           HB1      LEU  69   2.280  -2.590  -1.534
  517    HG   LEU  69           HG       LEU  69   4.446  -2.127  -3.571
  518   HD11  LEU  69          HD11      LEU  69   2.278  -1.597  -4.422
  519   HD12  LEU  69          HD12      LEU  69   3.191  -0.119  -4.128
  520   HD13  LEU  69          HD13      LEU  69   1.922  -0.609  -3.004
  521   HD21  LEU  69          HD21      LEU  69   3.733  -0.392  -1.203
  522   HD22  LEU  69          HD22      LEU  69   5.032  -0.097  -2.369
  523   HD23  LEU  69          HD23      LEU  69   5.136  -1.443  -1.269
  524    H    ASP  70           HN       ASP  70   4.728  -5.714  -2.694
  525    HA   ASP  70           HA       ASP  70   2.640  -7.588  -2.634
  526    HB2  ASP  70           HB2      ASP  70   4.366  -7.525  -4.337
  527    HB3  ASP  70           HB1      ASP  70   5.587  -7.898  -3.135
  528    H    TYR  71           HN       TYR  71   5.724  -7.439  -0.864
  529    HA   TYR  71           HA       TYR  71   5.148  -9.844   0.483
  530    HB2  TYR  71           HB2      TYR  71   7.233  -9.600   1.682
  531    HB3  TYR  71           HB1      TYR  71   7.488  -9.211  -0.007
  532    HD1  TYR  71           HD1      TYR  71   7.274  -7.946   3.377
  533    HD2  TYR  71           HD2      TYR  71   8.471  -6.878  -0.567
  534    HE1  TYR  71           HE1      TYR  71   8.590  -6.055   4.252
  535    HE2  TYR  71           HE2      TYR  71   9.773  -5.044   0.314
  536    HH   TYR  71           HH       TYR  71  10.457  -4.771   3.604
  537    H    LEU  72           HN       LEU  72   4.146  -6.757   1.055
  538    HA   LEU  72           HA       LEU  72   3.768  -6.944   3.963
  539    HB2  LEU  72           HB2      LEU  72   2.488  -5.015   2.124
  540    HB3  LEU  72           HB1      LEU  72   2.890  -4.819   3.807
  541    HG   LEU  72           HG       LEU  72   5.020  -5.005   1.688
  542   HD11  LEU  72          HD11      LEU  72   4.939  -2.737   1.500
  543   HD12  LEU  72          HD12      LEU  72   3.861  -2.566   2.883
  544   HD13  LEU  72          HD13      LEU  72   3.235  -3.206   1.369
  545   HD21  LEU  72          HD21      LEU  72   6.170  -3.683   3.148
  546   HD22  LEU  72          HD22      LEU  72   5.775  -5.218   4.039
  547   HD23  LEU  72          HD23      LEU  72   4.906  -3.690   4.353
  548    H    GLN  73           HN       GLN  73   2.091  -7.930   1.095
  549    HA   GLN  73           HA       GLN  73  -0.432  -6.823   1.484
  550    HB2  GLN  73           HB2      GLN  73   0.624  -8.135  -0.565
  551    HB3  GLN  73           HB1      GLN  73  -0.307  -9.459   0.111
  552    HG2  GLN  73           HG2      GLN  73  -1.563  -6.789  -0.560
  553    HG3  GLN  73           HG1      GLN  73  -1.540  -8.166  -1.724
  554   HE21  GLN  73          HE21      GLN  73  -2.620  -6.466   0.953
  555   HE22  GLN  73          HE22      GLN  73  -4.089  -7.303   1.121
  556    H    GLU  74           HN       GLU  74   0.594 -10.116   2.494
  557    HA   GLU  74           HA       GLU  74  -2.079 -10.382   3.609
  558    HB2  GLU  74           HB2      GLU  74  -0.797 -12.213   2.246
  559    HB3  GLU  74           HB1      GLU  74  -0.045 -12.580   3.796
  560    HG2  GLU  74           HG2      GLU  74  -2.062 -13.964   3.273
  561    HG3  GLU  74           HG1      GLU  74  -2.163 -13.072   4.796
  562    H    ASN  75           HN       ASN  75  -0.090  -8.654   4.646
  563    HA   ASN  75           HA       ASN  75  -0.193  -9.455   7.440
  564    HB2  ASN  75           HB2      ASN  75   2.168  -9.042   6.579
  565    HB3  ASN  75           HB1      ASN  75   1.678  -7.390   6.211
  566   HD21  ASN  75          HD21      ASN  75   2.504  -9.633   8.700
  567   HD22  ASN  75          HD22      ASN  75   2.575  -8.477   9.987
  568    HA   PRO  76           HA       PRO  76  -3.907  -6.935   6.514
  569    HB2  PRO  76           HB2      PRO  76  -3.619  -6.905   9.493
  570    HB3  PRO  76           HB1      PRO  76  -5.101  -7.023   8.515
  571    HG2  PRO  76           HG2      PRO  76  -4.019  -9.209   9.514
  572    HG3  PRO  76           HG1      PRO  76  -4.715  -9.194   7.883
  573    HD2  PRO  76           HD2      PRO  76  -1.900  -9.410   8.687
  574    HD3  PRO  76           HD1      PRO  76  -2.666  -9.846   7.146
  575    H    LYS  77           HN       LYS  77  -1.603  -5.618   9.014
  576    HA   LYS  77           HA       LYS  77  -2.476  -2.991   8.037
  577    HB2  LYS  77           HB2      LYS  77  -2.600  -3.491  10.571
  578    HB3  LYS  77           HB1      LYS  77  -0.844  -3.359  10.562
  579    HG2  LYS  77           HG2      LYS  77  -1.159  -1.065   9.500
  580    HG3  LYS  77           HG1      LYS  77  -2.860  -1.213   9.913
  581    HD2  LYS  77           HD2      LYS  77  -2.206  -1.453  12.293
  582    HD3  LYS  77           HD1      LYS  77  -0.523  -1.206  11.824
  583    HE2  LYS  77           HE2      LYS  77  -2.812   0.766  11.617
  584    HE3  LYS  77           HE1      LYS  77  -1.357   0.907  12.596
  585    HZ1  LYS  77           HZ1      LYS  77  -1.662   1.186   9.670
  586    HZ2  LYS  77           HZ2      LYS  77  -0.139   0.915  10.337
  587    HZ3  LYS  77           HZ3      LYS  77  -0.975   2.313  10.724
  588    H    GLY  78           HN       GLY  78  -0.177  -5.066   7.280
  589    HA2  GLY  78           HA2      GLY  78   2.259  -3.649   7.525
  590    HA3  GLY  78           HA1      GLY  78   1.936  -5.005   6.453
  591    H    LEU  79           HN       LEU  79   0.009  -4.029   4.818
  592    HA   LEU  79           HA       LEU  79   1.538  -2.145   3.257
  593    HB2  LEU  79           HB2      LEU  79  -0.310  -4.099   2.616
  594    HB3  LEU  79           HB1      LEU  79  -1.218  -2.622   2.367
  595    HG   LEU  79           HG       LEU  79   1.356  -3.404   0.985
  596   HD11  LEU  79          HD11      LEU  79   0.039  -3.456  -1.007
  597   HD12  LEU  79          HD12      LEU  79  -1.392  -3.044  -0.055
  598   HD13  LEU  79          HD13      LEU  79  -0.564  -4.594   0.214
  599   HD21  LEU  79          HD21      LEU  79   1.322  -0.980   1.328
  600   HD22  LEU  79          HD22      LEU  79  -0.292  -0.904   0.617
  601   HD23  LEU  79          HD23      LEU  79   1.085  -1.397  -0.371
  602    H    ASP  80           HN       ASP  80  -1.117  -2.086   5.434
  603    HA   ASP  80           HA       ASP  80  -2.190   0.450   4.834
  604    HB2  ASP  80           HB2      ASP  80  -3.431  -1.044   6.282
  605    HB3  ASP  80           HB1      ASP  80  -2.111  -1.057   7.449
  606    H    THR  81           HN       THR  81   0.378  -0.652   6.858
  607    HA   THR  81           HA       THR  81   1.326   1.545   8.162
  608    HB   THR  81           HB       THR  81   2.560  -0.887   6.936
  609    HG1  THR  81           HG1      THR  81   1.486  -1.374   8.672
  610   HG21  THR  81          HG21      THR  81   4.677  -0.521   8.076
  611   HG22  THR  81          HG22      THR  81   4.128   1.057   8.648
  612   HG23  THR  81          HG23      THR  81   4.403   0.787   6.923
  613    H    LEU  82           HN       LEU  82   1.478   0.837   4.739
  614    HA   LEU  82           HA       LEU  82   3.478   2.853   4.286
  615    HB2  LEU  82           HB2      LEU  82   1.877   1.408   2.190
  616    HB3  LEU  82           HB1      LEU  82   3.364   2.289   1.958
  617    HG   LEU  82           HG       LEU  82   2.907  -0.475   2.912
  618   HD11  LEU  82          HD11      LEU  82   4.937  -0.876   1.725
  619   HD12  LEU  82          HD12      LEU  82   4.927   0.810   1.156
  620   HD13  LEU  82          HD13      LEU  82   3.588  -0.290   0.764
  621   HD21  LEU  82          HD21      LEU  82   4.030   0.410   4.845
  622   HD22  LEU  82          HD22      LEU  82   5.323   1.077   3.824
  623   HD23  LEU  82          HD23      LEU  82   5.069  -0.675   3.924
  624    H    VAL  83           HN       VAL  83   0.071   2.346   3.354
  625    HA   VAL  83           HA       VAL  83  -0.256   4.882   2.188
  626    HB   VAL  83           HB       VAL  83  -1.923   3.255   1.606
  627   HG11  VAL  83          HG11      VAL  83  -1.816   1.869   3.558
  628   HG12  VAL  83          HG12      VAL  83  -3.498   2.281   3.202
  629   HG13  VAL  83          HG13      VAL  83  -2.646   3.090   4.522
  630   HG21  VAL  83          HG21      VAL  83  -2.820   5.504   1.660
  631   HG22  VAL  83          HG22      VAL  83  -3.191   5.331   3.372
  632   HG23  VAL  83          HG23      VAL  83  -4.065   4.360   2.187
  633    H    GLU  84           HN       GLU  84  -0.562   3.885   5.497
  634    HA   GLU  84           HA       GLU  84  -1.733   6.140   6.634
  635    HB2  GLU  84           HB2      GLU  84  -1.216   3.999   7.788
  636    HB3  GLU  84           HB1      GLU  84   0.487   4.416   7.737
  637    HG2  GLU  84           HG2      GLU  84  -0.269   6.549   9.005
  638    HG3  GLU  84           HG1      GLU  84  -1.695   5.580   9.395
  639    H    SER  85           HN       SER  85   1.579   5.419   5.723
  640    HA   SER  85           HA       SER  85   2.652   7.836   6.843
  641    HB2  SER  85           HB2      SER  85   3.986   5.754   5.100
  642    HB3  SER  85           HB1      SER  85   4.789   6.957   6.113
  643    HG   SER  85           HG       SER  85   3.533   4.579   6.787
  644    H    ILE  86           HN       ILE  86   1.477   6.731   3.750
  645    HA   ILE  86           HA       ILE  86   2.732   8.672   2.163
  646    HB   ILE  86           HB       ILE  86   0.094   7.263   1.484
  647   HG12  ILE  86          HG12      ILE  86   2.930   6.522   0.742
  648   HG13  ILE  86          HG11      ILE  86   1.898   5.635   1.858
  649   HG21  ILE  86          HG21      ILE  86   2.101   8.606  -0.350
  650   HG22  ILE  86          HG22      ILE  86   0.517   9.248   0.067
  651   HG23  ILE  86          HG23      ILE  86   0.642   7.757  -0.866
  652   HD11  ILE  86          HD11      ILE  86   1.364   6.013  -1.097
  653   HD12  ILE  86          HD12      ILE  86   0.358   5.112   0.017
  654   HD13  ILE  86          HD13      ILE  86   1.992   4.549  -0.342
  655    H    ARG  87           HN       ARG  87   0.312   8.874   4.401
  656    HA   ARG  87           HA       ARG  87  -1.817  10.364   3.690
  657    HB2  ARG  87           HB2      ARG  87  -1.067   9.542   5.991
  658    HB3  ARG  87           HB1      ARG  87  -0.291  11.115   6.175
  659    HG2  ARG  87           HG2      ARG  87  -2.337  11.318   7.240
  660    HG3  ARG  87           HG1      ARG  87  -2.633  12.040   5.652
  661    HD2  ARG  87           HD2      ARG  87  -4.454  10.551   6.267
  662    HD3  ARG  87           HD1      ARG  87  -3.585   9.911   4.872
  663    HE   ARG  87           HE       ARG  87  -2.373   8.722   6.979
  664   HH11  ARG  87          HH11      ARG  87  -5.766   8.849   5.913
  665   HH12  ARG  87          HH12      ARG  87  -6.209   7.367   6.614
  666   HH21  ARG  87          HH21      ARG  87  -2.997   6.647   7.979
  667   HH22  ARG  87          HH22      ARG  87  -4.578   6.078   7.815
  668    H    ARG  88           HN       ARG  88   1.007  12.043   5.045
  669    HA   ARG  88           HA       ARG  88   0.318  14.492   3.607
  670    HB2  ARG  88           HB2      ARG  88   0.713  14.664   6.060
  671    HB3  ARG  88           HB1      ARG  88   2.326  14.021   5.857
  672    HG2  ARG  88           HG2      ARG  88   1.534  16.604   4.525
  673    HG3  ARG  88           HG1      ARG  88   1.992  16.577   6.224
  674    HD2  ARG  88           HD2      ARG  88   4.176  15.788   5.706
  675    HD3  ARG  88           HD1      ARG  88   3.724  15.430   4.044
  676    HE   ARG  88           HE       ARG  88   3.935  18.146   5.156
  677   HH11  ARG  88          HH11      ARG  88   4.224  15.897   2.431
  678   HH12  ARG  88          HH12      ARG  88   5.021  16.945   1.386
  679   HH21  ARG  88          HH21      ARG  88   5.046  19.698   3.682
  680   HH22  ARG  88          HH22      ARG  88   5.491  19.175   2.122
  681    H    GLU  89           HN       GLU  89   1.918  11.887   2.742
  682    HA   GLU  89           HA       GLU  89   4.553  11.874   3.040
  683    HB2  GLU  89           HB2      GLU  89   2.826  10.422   1.584
  684    HB3  GLU  89           HB1      GLU  89   3.664  11.253   0.335
  685    HG2  GLU  89           HG2      GLU  89   5.823  10.512   1.781
  686    HG3  GLU  89           HG1      GLU  89   4.761   9.129   2.018
  687    H    LYS  90           HN       LYS  90   3.473  12.894  -0.234
  688    HA   LYS  90           HA       LYS  90   6.079  14.205  -0.394
  689    HB2  LYS  90           HB2      LYS  90   4.160  13.513  -2.602
  690    HB3  LYS  90           HB1      LYS  90   5.728  14.274  -2.832
  691    HG2  LYS  90           HG2      LYS  90   6.814  12.314  -1.834
  692    HG3  LYS  90           HG1      LYS  90   5.237  11.547  -1.651
  693    HD2  LYS  90           HD2      LYS  90   4.920  11.603  -4.067
  694    HD3  LYS  90           HD1      LYS  90   6.479  12.410  -4.260
  695    HE2  LYS  90           HE2      LYS  90   6.754  10.071  -4.734
  696    HE3  LYS  90           HE1      LYS  90   7.571  10.444  -3.221
  697    HZ1  LYS  90           HZ1      LYS  90   5.610   9.471  -2.027
  698    HZ2  LYS  90           HZ2      LYS  90   6.344   8.380  -3.045
  699    HZ3  LYS  90           HZ3      LYS  90   4.928   9.112  -3.520
  700    H    THR  91           HN       THR  91   2.894  15.013  -1.639
  701    HA   THR  91           HA       THR  91   3.618  17.822  -1.258
  702    HB   THR  91           HB       THR  91   1.555  16.724  -3.168
  703    HG1  THR  91           HG1      THR  91   4.321  17.319  -3.542
  704   HG21  THR  91          HG21      THR  91   3.044  19.365  -3.063
  705   HG22  THR  91          HG22      THR  91   1.361  19.128  -2.596
  706   HG23  THR  91          HG23      THR  91   1.851  18.900  -4.275
  707    H    GLN  92           HN       GLN  92   0.863  15.529  -1.128
  708    HA   GLN  92           HA       GLN  92  -0.361  16.767   1.064
  709    HB2  GLN  92           HB2      GLN  92  -2.371  17.609  -0.179
  710    HB3  GLN  92           HB1      GLN  92  -0.914  18.538  -0.485
  711    HG2  GLN  92           HG2      GLN  92  -0.618  17.474  -2.623
  712    HG3  GLN  92           HG1      GLN  92  -1.970  16.389  -2.315
  713   HE21  GLN  92          HE21      GLN  92  -1.026  19.647  -3.104
  714   HE22  GLN  92          HE22      GLN  92  -2.610  20.150  -3.589
  715    H    ASN  93           HN       ASN  93  -2.896  16.092   0.623
  716    HA   ASN  93           HA       ASN  93  -2.947  13.284   1.013
  717    HB2  ASN  93           HB2      ASN  93  -5.319  13.604   1.513
  718    HB3  ASN  93           HB1      ASN  93  -4.336  14.794   2.356
  719   HD21  ASN  93          HD21      ASN  93  -7.181  14.893   1.666
  720   HD22  ASN  93          HD22      ASN  93  -7.351  16.319   0.695
  721    H    PHE  94           HN       PHE  94  -2.987  14.956  -1.805
  722    HA   PHE  94           HA       PHE  94  -4.941  14.235  -3.502
  723    HB2  PHE  94           HB2      PHE  94  -2.986  15.492  -4.228
  724    HB3  PHE  94           HB1      PHE  94  -1.987  14.052  -4.121
  725    HD1  PHE  94           HD1      PHE  94  -4.831  15.570  -5.950
  726    HD2  PHE  94           HD2      PHE  94  -1.794  12.586  -5.954
  727    HE1  PHE  94           HE1      PHE  94  -5.312  15.084  -8.315
  728    HE2  PHE  94           HE2      PHE  94  -2.271  12.095  -8.314
  729    HZ   PHE  94           HZ       PHE  94  -4.032  13.344  -9.499
  730    H    LEU  95           HN       LEU  95  -2.177  11.936  -3.013
  731    HA   LEU  95           HA       LEU  95  -3.440   9.845  -4.469
  732    HB2  LEU  95           HB2      LEU  95  -1.191   9.825  -2.498
  733    HB3  LEU  95           HB1      LEU  95  -1.859   8.329  -3.093
  734    HG   LEU  95           HG       LEU  95  -0.570  10.445  -4.846
  735   HD11  LEU  95          HD11      LEU  95   1.212   8.835  -5.084
  736   HD12  LEU  95          HD12      LEU  95   0.290   7.654  -4.186
  737   HD13  LEU  95          HD13      LEU  95   0.965   9.063  -3.335
  738   HD21  LEU  95          HD21      LEU  95  -0.782   8.773  -6.578
  739   HD22  LEU  95          HD22      LEU  95  -2.388   9.166  -5.953
  740   HD23  LEU  95          HD23      LEU  95  -1.553   7.686  -5.431
  741    H    ILE  96           HN       ILE  96  -3.505  10.771  -1.201
  742    HA   ILE  96           HA       ILE  96  -4.505   8.397  -0.049
  743    HB   ILE  96           HB       ILE  96  -5.068  11.153   1.017
  744   HG12  ILE  96          HG12      ILE  96  -2.733  11.233   0.347
  745   HG13  ILE  96          HG11      ILE  96  -2.829  11.153   2.101
  746   HG21  ILE  96          HG21      ILE  96  -4.407   8.554   2.399
  747   HG22  ILE  96          HG22      ILE  96  -6.013   9.259   2.223
  748   HG23  ILE  96          HG23      ILE  96  -4.792  10.086   3.190
  749   HD11  ILE  96          HD11      ILE  96  -1.025   9.830   1.289
  750   HD12  ILE  96          HD12      ILE  96  -2.082   8.982   0.168
  751   HD13  ILE  96          HD13      ILE  96  -2.263   8.734   1.918
  752    H    GLN  97           HN       GLN  97  -5.931  11.254  -1.458
  753    HA   GLN  97           HA       GLN  97  -8.624  10.783  -0.772
  754    HB2  GLN  97           HB2      GLN  97  -7.732  12.960  -1.609
  755    HB3  GLN  97           HB1      GLN  97  -7.524  12.236  -3.192
  756    HG2  GLN  97           HG2      GLN  97  -9.527  13.583  -3.150
  757    HG3  GLN  97           HG1      GLN  97  -9.944  11.885  -3.355
  758   HE21  GLN  97          HE21      GLN  97  -9.020  13.313  -0.282
  759   HE22  GLN  97          HE22      GLN  97 -10.591  13.139   0.439
  760    H    LYS  98           HN       LYS  98  -6.648   9.819  -3.532
  761    HA   LYS  98           HA       LYS  98  -8.739   8.558  -4.969
  762    HB2  LYS  98           HB2      LYS  98  -6.636   9.195  -6.086
  763    HB3  LYS  98           HB1      LYS  98  -5.749   8.041  -5.100
  764    HG2  LYS  98           HG2      LYS  98  -6.072   7.053  -7.248
  765    HG3  LYS  98           HG1      LYS  98  -7.122   6.224  -6.104
  766    HD2  LYS  98           HD2      LYS  98  -8.917   7.960  -6.899
  767    HD3  LYS  98           HD1      LYS  98  -7.851   8.132  -8.296
  768    HE2  LYS  98           HE2      LYS  98  -9.471   6.475  -8.841
  769    HE3  LYS  98           HE1      LYS  98  -7.945   5.636  -8.544
  770    HZ1  LYS  98           HZ1      LYS  98  -8.843   5.304  -6.168
  771    HZ2  LYS  98           HZ2      LYS  98  -9.608   4.417  -7.356
  772    HZ3  LYS  98           HZ3      LYS  98 -10.332   5.772  -6.783
  773    H    ILE  99           HN       ILE  99  -6.600   7.515  -2.451
  774    HA   ILE  99           HA       ILE  99  -7.265   4.736  -2.574
  775    HB   ILE  99           HB       ILE  99  -6.058   6.363  -0.311
  776   HG12  ILE  99          HG12      ILE  99  -4.709   4.617  -2.385
  777   HG13  ILE  99          HG11      ILE  99  -4.796   6.369  -2.463
  778   HG21  ILE  99          HG21      ILE  99  -6.158   3.366  -0.737
  779   HG22  ILE  99          HG22      ILE  99  -6.997   4.267   0.527
  780   HG23  ILE  99          HG23      ILE  99  -5.234   4.178   0.523
  781   HD11  ILE  99          HD11      ILE  99  -3.515   6.488  -0.366
  782   HD12  ILE  99          HD12      ILE  99  -2.649   5.692  -1.671
  783   HD13  ILE  99          HD13      ILE  99  -3.379   4.727  -0.382
  784    H    THR 100           HN       THR 100  -8.396   7.535  -0.781
  785    HA   THR 100           HA       THR 100 -10.219   6.294   0.947
  786    HB   THR 100           HB       THR 100 -10.413   9.055  -0.330
  787    HG1  THR 100           HG1      THR 100  -8.419   8.603   0.846
  788   HG21  THR 100          HG21      THR 100 -12.493   8.348   0.786
  789   HG22  THR 100          HG22      THR 100 -11.708   9.655   1.673
  790   HG23  THR 100          HG23      THR 100 -11.583   7.994   2.255
  791    H    ASP 101           HN       ASP 101 -10.606   7.687  -2.302
  792    HA   ASP 101           HA       ASP 101 -13.228   7.074  -2.872
  793    HB2  ASP 101           HB2      ASP 101 -12.082   8.345  -4.494
  794    HB3  ASP 101           HB1      ASP 101 -10.771   7.178  -4.605
  795    H    GLU 102           HN       GLU 102 -10.390   4.992  -3.321
  796    HA   GLU 102           HA       GLU 102 -11.759   2.801  -4.342
  797    HB2  GLU 102           HB2      GLU 102  -9.179   2.842  -2.771
  798    HB3  GLU 102           HB1      GLU 102  -9.880   1.388  -3.442
  799    HG2  GLU 102           HG2      GLU 102  -9.013   3.796  -5.010
  800    HG3  GLU 102           HG1      GLU 102  -8.193   2.236  -4.924
  801    H    VAL 103           HN       VAL 103 -10.868   3.376  -0.966
  802    HA   VAL 103           HA       VAL 103 -12.006   1.021  -0.007
  803    HB   VAL 103           HB       VAL 103 -11.583   3.645   1.466
  804   HG11  VAL 103          HG11      VAL 103 -13.208   2.268   2.668
  805   HG12  VAL 103          HG12      VAL 103 -11.675   2.329   3.537
  806   HG13  VAL 103          HG13      VAL 103 -12.102   0.896   2.600
  807   HG21  VAL 103          HG21      VAL 103  -9.908   1.139   1.304
  808   HG22  VAL 103          HG22      VAL 103  -9.559   2.532   2.327
  809   HG23  VAL 103          HG23      VAL 103  -9.535   2.697   0.570
  810    H    LEU 104           HN       LEU 104 -13.485   4.231  -0.281
  811    HA   LEU 104           HA       LEU 104 -15.960   3.455   0.831
  812    HB2  LEU 104           HB2      LEU 104 -15.081   5.799  -0.812
  813    HB3  LEU 104           HB1      LEU 104 -16.791   5.537  -0.571
  814    HG   LEU 104           HG       LEU 104 -16.514   5.784   1.851
  815   HD11  LEU 104          HD11      LEU 104 -13.607   6.314   1.284
  816   HD12  LEU 104          HD12      LEU 104 -14.265   4.914   2.130
  817   HD13  LEU 104          HD13      LEU 104 -14.416   6.524   2.838
  818   HD21  LEU 104          HD21      LEU 104 -16.984   7.755   0.528
  819   HD22  LEU 104          HD22      LEU 104 -15.258   8.026   0.284
  820   HD23  LEU 104          HD23      LEU 104 -15.953   8.160   1.898
  821    H    LYS 105           HN       LYS 105 -14.801   3.565  -2.503
  822    HA   LYS 105           HA       LYS 105 -17.267   2.811  -3.704
  823    HB2  LYS 105           HB2      LYS 105 -15.689   4.060  -4.989
  824    HB3  LYS 105           HB1      LYS 105 -14.414   2.912  -4.653
  825    HG2  LYS 105           HG2      LYS 105 -15.326   1.331  -6.169
  826    HG3  LYS 105           HG1      LYS 105 -16.823   2.252  -6.323
  827    HD2  LYS 105           HD2      LYS 105 -15.273   2.525  -8.270
  828    HD3  LYS 105           HD1      LYS 105 -15.692   4.037  -7.473
  829    HE2  LYS 105           HE2      LYS 105 -13.326   3.999  -8.050
  830    HE3  LYS 105           HE1      LYS 105 -13.517   4.007  -6.303
  831    HZ1  LYS 105           HZ1      LYS 105 -11.800   2.482  -7.090
  832    HZ2  LYS 105           HZ2      LYS 105 -12.911   1.560  -7.923
  833    HZ3  LYS 105           HZ3      LYS 105 -12.964   1.676  -6.234
  834    H    LEU 106           HN       LEU 106 -14.585   1.065  -2.390
  835    HA   LEU 106           HA       LEU 106 -15.091  -1.488  -3.468
  836    HB2  LEU 106           HB2      LEU 106 -13.377  -0.313  -1.432
  837    HB3  LEU 106           HB1      LEU 106 -13.937  -1.903  -0.985
  838    HG   LEU 106           HG       LEU 106 -11.720  -1.939  -2.034
  839   HD11  LEU 106          HD11      LEU 106 -12.996  -3.917  -2.183
  840   HD12  LEU 106          HD12      LEU 106 -12.197  -3.675  -3.741
  841   HD13  LEU 106          HD13      LEU 106 -13.908  -3.281  -3.539
  842   HD21  LEU 106          HD21      LEU 106 -11.965  -0.060  -3.542
  843   HD22  LEU 106          HD22      LEU 106 -13.132  -0.963  -4.515
  844   HD23  LEU 106          HD23      LEU 106 -11.450  -1.501  -4.418
  845    H    ARG 107           HN       ARG 107 -16.785   0.313  -1.154
  846    HA   ARG 107           HA       ARG 107 -17.706  -1.565   0.679
  847    HB2  ARG 107           HB2      ARG 107 -18.114   0.922   0.711
  848    HB3  ARG 107           HB1      ARG 107 -19.388   0.657  -0.473
  849    HG2  ARG 107           HG2      ARG 107 -20.459  -0.899   1.169
  850    HG3  ARG 107           HG1      ARG 107 -19.269  -0.362   2.352
  851    HD2  ARG 107           HD2      ARG 107 -20.070   2.005   1.868
  852    HD3  ARG 107           HD1      ARG 107 -21.390   1.259   0.979
  853    HE   ARG 107           HE       ARG 107 -20.956   0.412   3.743
  854   HH11  ARG 107          HH11      ARG 107 -22.998   2.228   1.508
  855   HH12  ARG 107          HH12      ARG 107 -24.297   2.351   2.612
  856   HH21  ARG 107          HH21      ARG 107 -22.517   0.555   5.128
  857   HH22  ARG 107          HH22      ARG 107 -24.039   1.322   4.863
  858    H    ASN 108           HN       ASN 108 -18.683  -1.033  -2.636
  859    HA   ASN 108           HA       ASN 108 -21.100  -2.545  -2.541
  860    HB2  ASN 108           HB2      ASN 108 -20.649  -0.940  -4.364
  861    HB3  ASN 108           HB1      ASN 108 -19.318  -1.945  -4.923
  862   HD21  ASN 108          HD21      ASN 108 -22.785  -1.635  -4.709
  863   HD22  ASN 108          HD22      ASN 108 -23.130  -2.901  -5.838
  864    H    ILE 109           HN       ILE 109 -17.757  -3.317  -3.062
  865    HA   ILE 109           HA       ILE 109 -18.200  -5.969  -3.882
  866    HB   ILE 109           HB       ILE 109 -15.677  -4.519  -3.034
  867   HG12  ILE 109          HG12      ILE 109 -16.747  -5.549  -5.671
  868   HG13  ILE 109          HG11      ILE 109 -16.594  -3.877  -5.173
  869   HG21  ILE 109          HG21      ILE 109 -15.386  -6.861  -2.364
  870   HG22  ILE 109          HG22      ILE 109 -14.364  -6.466  -3.745
  871   HG23  ILE 109          HG23      ILE 109 -15.850  -7.386  -3.984
  872   HD11  ILE 109          HD11      ILE 109 -14.158  -4.062  -5.285
  873   HD12  ILE 109          HD12      ILE 109 -14.902  -4.542  -6.807
  874   HD13  ILE 109          HD13      ILE 109 -14.312  -5.770  -5.691
  875    H    LYS 110           HN       LYS 110 -17.966  -4.481  -0.799
  876    HA   LYS 110           HA       LYS 110 -17.620  -6.774   0.787
  877    HB2  LYS 110           HB2      LYS 110 -17.643  -4.582   1.859
  878    HB3  LYS 110           HB1      LYS 110 -19.303  -4.312   1.349
  879    HG2  LYS 110           HG2      LYS 110 -20.064  -6.114   2.799
  880    HG3  LYS 110           HG1      LYS 110 -18.403  -6.442   3.282
  881    HD2  LYS 110           HD2      LYS 110 -18.243  -4.268   4.334
  882    HD3  LYS 110           HD1      LYS 110 -19.852  -3.836   3.747
  883    HE2  LYS 110           HE2      LYS 110 -20.862  -5.557   5.101
  884    HE3  LYS 110           HE1      LYS 110 -19.280  -6.155   5.586
  885    HZ1  LYS 110           HZ1      LYS 110 -18.881  -4.155   6.785
  886    HZ2  LYS 110           HZ2      LYS 110 -20.299  -4.791   7.310
  887    HZ3  LYS 110           HZ3      LYS 110 -20.323  -3.434   6.296
  888    H    LEU 111           HN       LEU 111 -20.483  -5.458  -0.772
  889    HA   LEU 111           HA       LEU 111 -22.376  -7.316   0.325
  890    HB2  LEU 111           HB2      LEU 111 -22.526  -5.724  -2.236
  891    HB3  LEU 111           HB1      LEU 111 -23.870  -6.473  -1.402
  892    HG   LEU 111           HG       LEU 111 -22.229  -4.160  -0.361
  893   HD11  LEU 111          HD11      LEU 111 -23.610  -3.522  -2.256
  894   HD12  LEU 111          HD12      LEU 111 -24.244  -2.834  -0.761
  895   HD13  LEU 111          HD13      LEU 111 -25.025  -4.238  -1.484
  896   HD21  LEU 111          HD21      LEU 111 -23.102  -5.546   1.456
  897   HD22  LEU 111          HD22      LEU 111 -24.716  -5.472   0.752
  898   HD23  LEU 111          HD23      LEU 111 -23.960  -4.008   1.378
  899    H    GLU 112           HN       GLU 112 -20.445  -7.165  -2.598
  900    HA   GLU 112           HA       GLU 112 -21.503  -9.442  -3.855
  901    HB2  GLU 112           HB2      GLU 112 -20.337  -7.834  -5.188
  902    HB3  GLU 112           HB1      GLU 112 -18.926  -7.903  -4.161
  903    HG2  GLU 112           HG2      GLU 112 -19.683 -10.359  -5.664
  904    HG3  GLU 112           HG1      GLU 112 -18.980  -9.013  -6.558
  905    H    HIS 113           HN       HIS 113 -18.593  -9.053  -1.896
  906    HA   HIS 113           HA       HIS 113 -17.858 -11.786  -1.856
  907    HB2  HIS 113           HB2      HIS 113 -17.132  -9.490  -0.048
  908    HB3  HIS 113           HB1      HIS 113 -16.586 -11.117   0.305
  909    HD1  HIS 113           HD1      HIS 113 -16.454 -10.589  -3.369
  910    HD2  HIS 113           HD2      HIS 113 -14.019  -9.693  -0.089
  911    HE1  HIS 113           HE1      HIS 113 -14.207 -10.194  -4.281
  912    HE2  HIS 113           HE2      HIS 113 -12.820  -9.387  -2.352
  913    H    LEU 114           HN       LEU 114 -20.320 -10.186  -0.281
  914    HA   LEU 114           HA       LEU 114 -20.621 -12.099   1.888
  915    HB2  LEU 114           HB2      LEU 114 -20.799  -9.809   2.521
  916    HB3  LEU 114           HB1      LEU 114 -21.810  -9.425   1.169
  917    HG   LEU 114           HG       LEU 114 -22.838  -9.250   3.435
  918   HD11  LEU 114          HD11      LEU 114 -24.201  -9.282   1.506
  919   HD12  LEU 114          HD12      LEU 114 -25.004 -10.207   2.789
  920   HD13  LEU 114          HD13      LEU 114 -24.186 -11.043   1.457
  921   HD21  LEU 114          HD21      LEU 114 -21.891 -11.234   4.484
  922   HD22  LEU 114          HD22      LEU 114 -22.764 -12.271   3.356
  923   HD23  LEU 114          HD23      LEU 114 -23.654 -11.301   4.530
  924    H    LYS 115           HN       LYS 115 -21.483 -12.000  -1.350
  925    HA   LYS 115           HA       LYS 115 -23.987 -13.047  -0.681
  926    HB2  LYS 115           HB2      LYS 115 -23.166 -11.733  -3.159
  927    HB3  LYS 115           HB1      LYS 115 -24.404 -12.974  -3.288
  928    HG2  LYS 115           HG2      LYS 115 -24.566 -10.676  -1.353
  929    HG3  LYS 115           HG1      LYS 115 -25.225 -10.612  -2.978
  930    HD2  LYS 115           HD2      LYS 115 -27.052 -11.123  -1.497
  931    HD3  LYS 115           HD1      LYS 115 -26.686 -12.587  -2.383
  932    HE2  LYS 115           HE2      LYS 115 -25.515 -12.186   0.369
  933    HE3  LYS 115           HE1      LYS 115 -27.198 -12.624   0.215
  934    HZ1  LYS 115           HZ1      LYS 115 -24.924 -14.320  -0.860
  935    HZ2  LYS 115           HZ2      LYS 115 -26.517 -14.719  -0.901
  936    HZ3  LYS 115           HZ3      LYS 115 -25.716 -14.541   0.567
  Start of MODEL    2
    1    H    GLU  10           HT1      GLU  10 -20.295   3.480   8.417
    2    HA   GLU  10           HA       GLU  10 -18.100   3.082   7.403
    3    HB2  GLU  10           HB2      GLU  10 -16.691   3.630   9.296
    4    HB3  GLU  10           HB1      GLU  10 -18.210   4.496   9.462
    5    HG2  GLU  10           HG2      GLU  10 -17.445   1.981  10.794
    6    HG3  GLU  10           HG1      GLU  10 -17.403   3.564  11.616
    7    H    GLU  11           HN       GLU  11 -18.965   0.594   9.793
    8    HA   GLU  11           HA       GLU  11 -16.878  -1.186   9.517
    9    HB2  GLU  11           HB2      GLU  11 -18.813  -1.455  11.051
   10    HB3  GLU  11           HB1      GLU  11 -19.871  -1.714   9.687
   11    HG2  GLU  11           HG2      GLU  11 -17.636  -3.599  10.470
   12    HG3  GLU  11           HG1      GLU  11 -19.298  -3.762  11.020
   13    H    ASP  12           HN       ASP  12 -19.689  -0.704   7.525
   14    HA   ASP  12           HA       ASP  12 -19.328  -2.700   5.715
   15    HB2  ASP  12           HB2      ASP  12 -20.901  -1.393   4.257
   16    HB3  ASP  12           HB1      ASP  12 -21.464  -1.657   5.897
   17    H    LEU  13           HN       LEU  13 -17.787   0.408   5.782
   18    HA   LEU  13           HA       LEU  13 -16.746  -0.111   3.122
   19    HB2  LEU  13           HB2      LEU  13 -16.042   2.526   4.606
   20    HB3  LEU  13           HB1      LEU  13 -15.788   2.029   3.003
   21    HG   LEU  13           HG       LEU  13 -18.077   2.193   2.425
   22   HD11  LEU  13          HD11      LEU  13 -19.070   1.569   4.618
   23   HD12  LEU  13          HD12      LEU  13 -19.708   3.108   4.034
   24   HD13  LEU  13          HD13      LEU  13 -18.478   3.084   5.296
   25   HD21  LEU  13          HD21      LEU  13 -18.176   4.501   2.406
   26   HD22  LEU  13          HD22      LEU  13 -16.438   4.250   2.808
   27   HD23  LEU  13          HD23      LEU  13 -17.598   4.604   4.046
   28    H    THR  14           HN       THR  14 -15.807  -1.059   6.189
   29    HA   THR  14           HA       THR  14 -13.208  -0.206   4.990
   30    HB   THR  14           HB       THR  14 -12.289  -0.457   7.638
   31    HG1  THR  14           HG1      THR  14 -14.991   0.436   7.660
   32   HG21  THR  14          HG21      THR  14 -13.576   1.612   5.885
   33   HG22  THR  14          HG22      THR  14 -12.110   0.790   5.491
   34   HG23  THR  14          HG23      THR  14 -12.149   1.882   6.915
   35    H    GLU  15           HN       GLU  15 -14.518  -3.647   5.948
   36    HA   GLU  15           HA       GLU  15 -11.845  -4.600   6.537
   37    HB2  GLU  15           HB2      GLU  15 -12.566  -6.793   6.162
   38    HB3  GLU  15           HB1      GLU  15 -13.846  -6.075   7.159
   39    HG2  GLU  15           HG2      GLU  15 -13.875  -6.679   4.183
   40    HG3  GLU  15           HG1      GLU  15 -14.584  -7.699   5.421
   41    H    VAL  16           HN       VAL  16 -13.903  -4.391   3.949
   42    HA   VAL  16           HA       VAL  16 -12.670  -5.229   1.784
   43    HB   VAL  16           HB       VAL  16 -13.792  -3.244   0.574
   44   HG11  VAL  16          HG11      VAL  16 -14.657  -5.578   0.745
   45   HG12  VAL  16          HG12      VAL  16 -15.953  -4.397   0.908
   46   HG13  VAL  16          HG13      VAL  16 -15.305  -5.197   2.340
   47   HG21  VAL  16          HG21      VAL  16 -13.821  -1.867   2.604
   48   HG22  VAL  16          HG22      VAL  16 -14.639  -3.183   3.356
   49   HG23  VAL  16          HG23      VAL  16 -15.506  -2.247   2.104
   50    H    LYS  17           HN       LYS  17 -11.731  -2.446   3.560
   51    HA   LYS  17           HA       LYS  17 -10.113  -0.901   1.994
   52    HB2  LYS  17           HB2      LYS  17 -10.398  -0.528   4.376
   53    HB3  LYS  17           HB1      LYS  17  -9.548  -2.013   4.746
   54    HG2  LYS  17           HG2      LYS  17  -7.495  -1.025   3.808
   55    HG3  LYS  17           HG1      LYS  17  -8.373   0.488   3.554
   56    HD2  LYS  17           HD2      LYS  17  -8.798   0.669   5.937
   57    HD3  LYS  17           HD1      LYS  17  -8.025  -0.892   6.216
   58    HE2  LYS  17           HE2      LYS  17  -5.911   0.029   5.355
   59    HE3  LYS  17           HE1      LYS  17  -6.695   1.593   5.146
   60    HZ1  LYS  17           HZ1      LYS  17  -6.396   0.175   7.736
   61    HZ2  LYS  17           HZ2      LYS  17  -7.012   1.745   7.524
   62    HZ3  LYS  17           HZ3      LYS  17  -5.391   1.400   7.179
   63    H    LYS  18           HN       LYS  18  -9.415  -4.147   3.209
   64    HA   LYS  18           HA       LYS  18  -6.775  -4.579   2.397
   65    HB2  LYS  18           HB2      LYS  18  -7.638  -6.328   3.658
   66    HB3  LYS  18           HB1      LYS  18  -9.195  -6.278   2.860
   67    HG2  LYS  18           HG2      LYS  18  -8.041  -8.370   2.393
   68    HG3  LYS  18           HG1      LYS  18  -8.241  -7.428   0.920
   69    HD2  LYS  18           HD2      LYS  18  -5.858  -6.575   1.417
   70    HD3  LYS  18           HD1      LYS  18  -5.758  -7.964   2.504
   71    HE2  LYS  18           HE2      LYS  18  -4.879  -8.364   0.238
   72    HE3  LYS  18           HE1      LYS  18  -6.187  -9.493   0.669
   73    HZ1  LYS  18           HZ1      LYS  18  -7.692  -8.184  -0.792
   74    HZ2  LYS  18           HZ2      LYS  18  -6.236  -8.480  -1.644
   75    HZ3  LYS  18           HZ3      LYS  18  -6.500  -7.013  -0.932
   76    H    ASP  19           HN       ASP  19  -9.721  -4.656   0.475
   77    HA   ASP  19           HA       ASP  19  -8.195  -5.590  -1.773
   78    HB2  ASP  19           HB2      ASP  19 -11.180  -5.203  -1.488
   79    HB3  ASP  19           HB1      ASP  19 -10.380  -5.871  -2.912
   80    H    ALA  20           HN       ALA  20  -9.487  -2.670  -0.544
   81    HA   ALA  20           HA       ALA  20  -9.364  -1.097  -2.935
   82    HB1  ALA  20           HB1      ALA  20 -10.354  -0.050  -0.968
   83    HB2  ALA  20           HB2      ALA  20  -8.840   0.821  -1.368
   84    HB3  ALA  20           HB3      ALA  20  -8.864  -0.330  -0.057
   85    H    LEU  21           HN       LEU  21  -7.091  -1.781  -0.338
   86    HA   LEU  21           HA       LEU  21  -4.923  -0.451  -1.494
   87    HB2  LEU  21           HB2      LEU  21  -5.159  -2.454   0.722
   88    HB3  LEU  21           HB1      LEU  21  -3.577  -2.038   0.111
   89    HG   LEU  21           HG       LEU  21  -4.089  -0.799   2.160
   90   HD11  LEU  21          HD11      LEU  21  -3.576   1.429   1.440
   91   HD12  LEU  21          HD12      LEU  21  -4.096   1.050  -0.190
   92   HD13  LEU  21          HD13      LEU  21  -2.661   0.267   0.477
   93   HD21  LEU  21          HD21      LEU  21  -5.808   0.919   2.239
   94   HD22  LEU  21          HD22      LEU  21  -6.521  -0.672   1.957
   95   HD23  LEU  21          HD23      LEU  21  -6.347   0.465   0.623
   96    H    GLU  22           HN       GLU  22  -6.337  -3.471  -2.160
   97    HA   GLU  22           HA       GLU  22  -4.102  -4.871  -3.214
   98    HB2  GLU  22           HB2      GLU  22  -6.398  -5.788  -2.585
   99    HB3  GLU  22           HB1      GLU  22  -6.963  -5.177  -4.138
  100    HG2  GLU  22           HG2      GLU  22  -6.478  -7.466  -4.427
  101    HG3  GLU  22           HG1      GLU  22  -5.146  -6.581  -5.181
  102    H    ASN  23           HN       ASN  23  -6.734  -3.049  -4.766
  103    HA   ASN  23           HA       ASN  23  -5.676  -3.078  -7.403
  104    HB2  ASN  23           HB2      ASN  23  -7.528  -1.031  -6.132
  105    HB3  ASN  23           HB1      ASN  23  -7.217  -1.177  -7.853
  106   HD21  ASN  23          HD21      ASN  23  -9.719  -1.355  -6.390
  107   HD22  ASN  23          HD22      ASN  23 -10.359  -2.919  -6.758
  108    H    LEU  24           HN       LEU  24  -5.343  -0.996  -4.709
  109    HA   LEU  24           HA       LEU  24  -3.993   1.145  -5.911
  110    HB2  LEU  24           HB2      LEU  24  -5.227   1.244  -3.832
  111    HB3  LEU  24           HB1      LEU  24  -4.096   0.119  -3.120
  112    HG   LEU  24           HG       LEU  24  -2.984   2.659  -4.092
  113   HD11  LEU  24          HD11      LEU  24  -3.748   3.657  -1.850
  114   HD12  LEU  24          HD12      LEU  24  -5.039   2.402  -1.892
  115   HD13  LEU  24          HD13      LEU  24  -4.855   3.570  -3.200
  116   HD21  LEU  24          HD21      LEU  24  -1.562   1.005  -3.006
  117   HD22  LEU  24          HD22      LEU  24  -2.640   0.943  -1.622
  118   HD23  LEU  24          HD23      LEU  24  -1.714   2.406  -1.941
  119    H    ARG  25           HN       ARG  25  -2.858  -1.772  -4.296
  120    HA   ARG  25           HA       ARG  25  -0.108  -1.484  -4.310
  121    HB2  ARG  25           HB2      ARG  25  -1.100  -3.251  -3.173
  122    HB3  ARG  25           HB1      ARG  25  -2.040  -3.770  -4.556
  123    HG2  ARG  25           HG2      ARG  25   0.115  -4.629  -5.539
  124    HG3  ARG  25           HG1      ARG  25   0.887  -4.246  -3.988
  125    HD2  ARG  25           HD2      ARG  25  -0.668  -5.657  -2.805
  126    HD3  ARG  25           HD1      ARG  25  -1.568  -5.977  -4.278
  127    HE   ARG  25           HE       ARG  25   1.175  -6.818  -4.394
  128   HH11  ARG  25          HH11      ARG  25  -2.130  -7.780  -3.438
  129   HH12  ARG  25          HH12      ARG  25  -1.802  -9.425  -3.410
  130   HH21  ARG  25          HH21      ARG  25   1.631  -9.151  -4.346
  131   HH22  ARG  25          HH22      ARG  25   0.393 -10.232  -3.948
  132    H    VAL  26           HN       VAL  26  -2.310  -2.124  -6.904
  133    HA   VAL  26           HA       VAL  26  -0.237  -2.762  -8.792
  134    HB   VAL  26           HB       VAL  26  -3.190  -2.281  -9.276
  135   HG11  VAL  26          HG11      VAL  26  -1.104  -3.542 -11.057
  136   HG12  VAL  26          HG12      VAL  26  -1.873  -1.975 -11.302
  137   HG13  VAL  26          HG13      VAL  26  -2.831  -3.453 -11.404
  138   HG21  VAL  26          HG21      VAL  26  -1.681  -4.874  -8.930
  139   HG22  VAL  26          HG22      VAL  26  -3.381  -4.730  -9.377
  140   HG23  VAL  26          HG23      VAL  26  -2.835  -4.180  -7.792
  141    H    TYR  27           HN       TYR  27  -2.578  -0.052  -8.341
  142    HA   TYR  27           HA       TYR  27  -1.360   1.301 -10.561
  143    HB2  TYR  27           HB2      TYR  27  -2.993   3.103 -10.343
  144    HB3  TYR  27           HB1      TYR  27  -3.766   1.538 -10.376
  145    HD1  TYR  27           HD2      TYR  27  -2.569   4.069  -7.803
  146    HD2  TYR  27           HD1      TYR  27  -5.584   1.266  -8.934
  147    HE1  TYR  27           HE2      TYR  27  -3.931   4.749  -5.855
  148    HE2  TYR  27           HE1      TYR  27  -6.944   1.969  -7.003
  149    HH   TYR  27           HH       TYR  27  -6.689   3.024  -4.858
  150    H    LEU  28           HN       LEU  28  -1.078   1.742  -7.095
  151    HA   LEU  28           HA       LEU  28  -0.315   4.453  -7.314
  152    HB2  LEU  28           HB2      LEU  28  -1.055   2.771  -5.238
  153    HB3  LEU  28           HB1      LEU  28   0.583   3.258  -4.830
  154    HG   LEU  28           HG       LEU  28  -1.823   5.047  -5.259
  155   HD11  LEU  28          HD11      LEU  28  -0.156   4.487  -2.845
  156   HD12  LEU  28          HD12      LEU  28  -1.841   4.028  -3.126
  157   HD13  LEU  28          HD13      LEU  28  -1.402   5.723  -2.968
  158   HD21  LEU  28          HD21      LEU  28   1.037   5.836  -4.736
  159   HD22  LEU  28          HD22      LEU  28  -0.356   6.913  -4.696
  160   HD23  LEU  28          HD23      LEU  28   0.106   6.128  -6.208
  161    H    CYS  29           HN       CYS  29   1.454   1.750  -7.965
  162    HA   CYS  29           HA       CYS  29   4.044   2.249  -7.025
  163    HB2  CYS  29           HB2      CYS  29   3.485   0.160  -8.052
  164    HB3  CYS  29           HB1      CYS  29   3.116   0.949  -9.579
  165    HG   CYS  29           HG       CYS  29   6.030   1.893  -9.079
  166    H    GLU  30           HN       GLU  30   2.319   3.975  -9.537
  167    HA   GLU  30           HA       GLU  30   4.820   5.067 -10.408
  168    HB2  GLU  30           HB2      GLU  30   3.468   6.175 -12.255
  169    HB3  GLU  30           HB1      GLU  30   3.561   4.429 -12.284
  170    HG2  GLU  30           HG2      GLU  30   1.351   4.902 -12.847
  171    HG3  GLU  30           HG1      GLU  30   1.261   4.486 -11.138
  172    H    LYS  31           HN       LYS  31   2.867   5.788  -7.968
  173    HA   LYS  31           HA       LYS  31   3.931   8.545  -7.959
  174    HB2  LYS  31           HB2      LYS  31   1.411   7.624  -6.515
  175    HB3  LYS  31           HB1      LYS  31   2.165   9.190  -6.347
  176    HG2  LYS  31           HG2      LYS  31   1.192   8.108  -8.942
  177    HG3  LYS  31           HG1      LYS  31   0.198   9.078  -7.855
  178    HD2  LYS  31           HD2      LYS  31   1.603  10.891  -8.024
  179    HD3  LYS  31           HD1      LYS  31   2.891   9.994  -8.824
  180    HE2  LYS  31           HE2      LYS  31   0.161  10.542  -9.994
  181    HE3  LYS  31           HE1      LYS  31   1.661  11.355 -10.458
  182    HZ1  LYS  31           HZ1      LYS  31   1.176   9.466 -12.011
  183    HZ2  LYS  31           HZ2      LYS  31   1.063   8.460 -10.736
  184    HZ3  LYS  31           HZ3      LYS  31   2.537   9.101 -11.085
  185    H    ILE  32           HN       ILE  32   3.513   5.573  -6.144
  186    HA   ILE  32           HA       ILE  32   5.269   6.753  -4.154
  187    HB   ILE  32           HB       ILE  32   3.360   5.844  -3.008
  188   HG12  ILE  32          HG12      ILE  32   5.706   3.926  -2.671
  189   HG13  ILE  32          HG11      ILE  32   5.468   5.459  -1.835
  190   HG21  ILE  32          HG21      ILE  32   2.502   4.345  -4.701
  191   HG22  ILE  32          HG22      ILE  32   2.630   3.520  -3.146
  192   HG23  ILE  32          HG23      ILE  32   3.833   3.229  -4.405
  193   HD11  ILE  32          HD11      ILE  32   3.708   3.037  -1.606
  194   HD12  ILE  32          HD12      ILE  32   3.520   4.542  -0.698
  195   HD13  ILE  32          HD13      ILE  32   4.937   3.518  -0.434
  196    H    ILE  33           HN       ILE  33   7.164   6.606  -4.970
  197    HA   ILE  33           HA       ILE  33   8.062   4.046  -5.985
  198    HB   ILE  33           HB       ILE  33   9.578   6.621  -5.427
  199   HG12  ILE  33          HG12      ILE  33   7.913   6.962  -7.178
  200   HG13  ILE  33          HG11      ILE  33   9.531   7.003  -7.861
  201   HG21  ILE  33          HG21      ILE  33  11.350   5.701  -6.858
  202   HG22  ILE  33          HG22      ILE  33  10.468   4.169  -6.923
  203   HG23  ILE  33          HG23      ILE  33  11.073   4.782  -5.378
  204   HD11  ILE  33          HD11      ILE  33   7.588   4.700  -8.015
  205   HD12  ILE  33          HD12      ILE  33   9.219   4.709  -8.685
  206   HD13  ILE  33          HD13      ILE  33   8.000   5.816  -9.317
  207    H    ALA  34           HN       ALA  34   8.785   2.544  -4.615
  208    HA   ALA  34           HA       ALA  34   9.092   3.126  -1.818
  209    HB1  ALA  34           HB1      ALA  34   9.469   0.857  -1.502
  210    HB2  ALA  34           HB2      ALA  34   9.750   0.602  -3.235
  211    HB3  ALA  34           HB3      ALA  34   8.121   1.061  -2.640
  212    H    GLU  35           HN       GLU  35  11.027   2.494  -4.492
  213    HA   GLU  35           HA       GLU  35  13.385   1.738  -3.573
  214    HB2  GLU  35           HB2      GLU  35  12.824   1.862  -5.868
  215    HB3  GLU  35           HB1      GLU  35  12.519   3.531  -5.754
  216    HG2  GLU  35           HG2      GLU  35  14.655   2.990  -6.990
  217    HG3  GLU  35           HG1      GLU  35  14.716   4.248  -5.772
  218    H    ARG  36           HN       ARG  36  12.341   5.166  -3.796
  219    HA   ARG  36           HA       ARG  36  14.780   5.931  -2.493
  220    HB2  ARG  36           HB2      ARG  36  13.711   7.325  -4.324
  221    HB3  ARG  36           HB1      ARG  36  12.520   7.830  -3.134
  222    HG2  ARG  36           HG2      ARG  36  14.386   9.461  -3.473
  223    HG3  ARG  36           HG1      ARG  36  14.200   8.917  -1.804
  224    HD2  ARG  36           HD2      ARG  36  16.580   9.007  -2.572
  225    HD3  ARG  36           HD1      ARG  36  16.093   7.414  -2.015
  226    HE   ARG  36           HE       ARG  36  16.402   8.228  -4.830
  227   HH11  ARG  36          HH11      ARG  36  16.616   5.630  -2.326
  228   HH12  ARG  36          HH12      ARG  36  16.941   4.438  -3.506
  229   HH21  ARG  36          HH21      ARG  36  17.023   6.385  -6.340
  230   HH22  ARG  36          HH22      ARG  36  17.180   4.838  -5.584
  231    H    HIS  37           HN       HIS  37  11.899   4.840  -1.425
  232    HA   HIS  37           HA       HIS  37  11.930   6.325   1.078
  233    HB2  HIS  37           HB2      HIS  37  10.013   4.296  -0.055
  234    HB3  HIS  37           HB1      HIS  37  10.011   4.659   1.660
  235    HD1  HIS  37           HD1      HIS  37   8.778   5.907  -1.606
  236    HD2  HIS  37           HD2      HIS  37   9.181   7.353   2.279
  237    HE1  HIS  37           HE1      HIS  37   7.281   7.902  -1.470
  238    HE2  HIS  37           HE2      HIS  37   7.326   8.567   0.938
  239    H    PHE  38           HN       PHE  38  12.883   3.242  -0.236
  240    HA   PHE  38           HA       PHE  38  12.852   1.414   1.697
  241    HB2  PHE  38           HB2      PHE  38  13.723   0.858  -0.458
  242    HB3  PHE  38           HB1      PHE  38  15.108   1.919  -0.240
  243    HD1  PHE  38           HD2      PHE  38  13.523  -1.155   1.157
  244    HD2  PHE  38           HD1      PHE  38  17.112   1.070   0.598
  245    HE1  PHE  38           HE2      PHE  38  14.831  -3.024   2.078
  246    HE2  PHE  38           HE1      PHE  38  18.417  -0.795   1.524
  247    HZ   PHE  38           HZ       PHE  38  17.274  -2.845   2.266
  248    H    ASP  39           HN       ASP  39  15.597   3.642   1.449
  249    HA   ASP  39           HA       ASP  39  17.097   2.811   3.612
  250    HB2  ASP  39           HB2      ASP  39  18.016   4.476   2.188
  251    HB3  ASP  39           HB1      ASP  39  16.675   5.576   2.485
  252    H    HIS  40           HN       HIS  40  14.453   5.046   3.609
  253    HA   HIS  40           HA       HIS  40  14.610   5.355   6.483
  254    HB2  HIS  40           HB2      HIS  40  12.927   6.872   4.474
  255    HB3  HIS  40           HB1      HIS  40  12.940   7.184   6.212
  256    HD1  HIS  40           HD1      HIS  40  14.296   8.661   3.351
  257    HD2  HIS  40           HD2      HIS  40  15.985   7.404   6.935
  258    HE1  HIS  40           HE1      HIS  40  16.494   9.838   3.511
  259    HE2  HIS  40           HE2      HIS  40  17.555   8.387   5.226
  260    H    LEU  41           HN       LEU  41  12.918   3.556   4.240
  261    HA   LEU  41           HA       LEU  41  10.449   3.160   5.600
  262    HB2  LEU  41           HB2      LEU  41  11.090   2.650   3.181
  263    HB3  LEU  41           HB1      LEU  41  11.875   1.218   3.800
  264    HG   LEU  41           HG       LEU  41   9.134   1.398   4.701
  265   HD11  LEU  41          HD11      LEU  41   9.610   1.333   1.700
  266   HD12  LEU  41          HD12      LEU  41   8.940   2.651   2.676
  267   HD13  LEU  41          HD13      LEU  41   8.074   1.121   2.574
  268   HD21  LEU  41          HD21      LEU  41   9.066  -0.862   3.781
  269   HD22  LEU  41          HD22      LEU  41  10.503  -0.616   4.779
  270   HD23  LEU  41          HD23      LEU  41  10.641  -0.607   3.018
  271    H    ARG  42           HN       ARG  42  13.613   2.018   5.974
  272    HA   ARG  42           HA       ARG  42  13.191  -0.257   7.680
  273    HB2  ARG  42           HB2      ARG  42  15.612   1.540   7.360
  274    HB3  ARG  42           HB1      ARG  42  15.597  -0.032   8.150
  275    HG2  ARG  42           HG2      ARG  42  14.985  -1.096   6.037
  276    HG3  ARG  42           HG1      ARG  42  14.988   0.475   5.243
  277    HD2  ARG  42           HD2      ARG  42  17.372  -0.811   6.570
  278    HD3  ARG  42           HD1      ARG  42  17.043  -0.841   4.845
  279    HE   ARG  42           HE       ARG  42  17.110   1.838   5.758
  280   HH11  ARG  42          HH11      ARG  42  19.240  -0.889   5.096
  281   HH12  ARG  42          HH12      ARG  42  20.623   0.058   4.754
  282   HH21  ARG  42          HH21      ARG  42  19.050   3.206   5.228
  283   HH22  ARG  42          HH22      ARG  42  20.477   2.451   4.855
  284    H    ALA  43           HN       ALA  43  12.481   2.894   8.161
  285    HA   ALA  43           HA       ALA  43  13.188   3.329  10.856
  286    HB1  ALA  43           HB1      ALA  43  10.911   4.330   9.177
  287    HB2  ALA  43           HB2      ALA  43  12.458   5.122   9.383
  288    HB3  ALA  43           HB3      ALA  43  11.334   4.998  10.757
  289    H    LYS  44           HN       LYS  44  10.258   2.076   9.252
  290    HA   LYS  44           HA       LYS  44   9.020   1.710  11.862
  291    HB2  LYS  44           HB2      LYS  44   7.833   1.100   9.157
  292    HB3  LYS  44           HB1      LYS  44   6.974   1.279  10.680
  293    HG2  LYS  44           HG2      LYS  44   7.666   3.650  10.760
  294    HG3  LYS  44           HG1      LYS  44   8.444   3.452   9.194
  295    HD2  LYS  44           HD2      LYS  44   6.305   4.410   8.707
  296    HD3  LYS  44           HD1      LYS  44   6.176   2.705   8.336
  297    HE2  LYS  44           HE2      LYS  44   5.035   2.268  10.400
  298    HE3  LYS  44           HE1      LYS  44   5.298   3.926  10.939
  299    HZ1  LYS  44           HZ1      LYS  44   3.032   3.573  10.008
  300    HZ2  LYS  44           HZ2      LYS  44   3.710   3.297   8.483
  301    HZ3  LYS  44           HZ3      LYS  44   3.890   4.747   9.272
  302    H    LYS  45           HN       LYS  45  10.555  -0.188   9.423
  303    HA   LYS  45           HA       LYS  45  10.865  -2.405   9.115
  304    HB2  LYS  45           HB2      LYS  45  11.329  -2.172  12.068
  305    HB3  LYS  45           HB1      LYS  45  11.762  -3.594  11.125
  306    HG2  LYS  45           HG2      LYS  45  13.264  -2.240   9.741
  307    HG3  LYS  45           HG1      LYS  45  12.735  -0.818  10.598
  308    HD2  LYS  45           HD2      LYS  45  14.100  -3.116  11.976
  309    HD3  LYS  45           HD1      LYS  45  14.939  -1.686  11.373
  310    HE2  LYS  45           HE2      LYS  45  12.776  -1.756  13.492
  311    HE3  LYS  45           HE1      LYS  45  14.485  -1.422  13.738
  312    HZ1  LYS  45           HZ1      LYS  45  12.509   0.285  12.312
  313    HZ2  LYS  45           HZ2      LYS  45  14.134   0.527  12.170
  314    HZ3  LYS  45           HZ3      LYS  45  13.390   0.681  13.691
  315    H    ILE  46           HN       ILE  46   8.573  -2.414   8.631
  316    HA   ILE  46           HA       ILE  46   6.567  -3.572  10.080
  317    HB   ILE  46           HB       ILE  46   6.897  -4.379   7.193
  318   HG12  ILE  46          HG12      ILE  46   5.599  -2.088   6.783
  319   HG13  ILE  46          HG11      ILE  46   6.456  -1.604   8.239
  320   HG21  ILE  46          HG21      ILE  46   4.916  -5.101   8.626
  321   HG22  ILE  46          HG22      ILE  46   4.563  -4.374   7.085
  322   HG23  ILE  46          HG23      ILE  46   4.399  -3.397   8.563
  323   HD11  ILE  46          HD11      ILE  46   7.737  -0.900   6.328
  324   HD12  ILE  46          HD12      ILE  46   7.679  -2.521   5.638
  325   HD13  ILE  46          HD13      ILE  46   8.605  -2.244   7.083
  326    H    LEU  47           HN       LEU  47   9.043  -5.010   8.133
  327    HA   LEU  47           HA       LEU  47   9.003  -7.390   9.677
  328    HB2  LEU  47           HB2      LEU  47   9.723  -8.655   7.433
  329    HB3  LEU  47           HB1      LEU  47   8.063  -8.546   7.924
  330    HG   LEU  47           HG       LEU  47   8.705  -8.252   5.431
  331   HD11  LEU  47          HD11      LEU  47   6.826  -6.279   6.685
  332   HD12  LEU  47          HD12      LEU  47   6.477  -7.953   6.250
  333   HD13  LEU  47          HD13      LEU  47   6.867  -6.792   4.985
  334   HD21  LEU  47          HD21      LEU  47  10.411  -6.576   5.555
  335   HD22  LEU  47          HD22      LEU  47   9.351  -5.520   6.483
  336   HD23  LEU  47          HD23      LEU  47   8.973  -5.868   4.802
  337    H    SER  48           HN       SER  48  11.359  -8.635   8.470
  338    HA   SER  48           HA       SER  48  13.103  -6.826   9.890
  339    HB2  SER  48           HB2      SER  48  14.647  -8.653  10.044
  340    HB3  SER  48           HB1      SER  48  13.036  -9.290  10.362
  341    HG   SER  48           HG       SER  48  12.980 -10.072   8.218
  342    H    ARG  49           HN       ARG  49  15.524  -7.226   8.980
  343    HA   ARG  49           HA       ARG  49  15.825  -5.445   6.792
  344    HB2  ARG  49           HB2      ARG  49  17.641  -5.511   8.496
  345    HB3  ARG  49           HB1      ARG  49  17.876  -7.246   8.119
  346    HG2  ARG  49           HG2      ARG  49  18.610  -6.468   6.027
  347    HG3  ARG  49           HG1      ARG  49  18.242  -4.809   6.518
  348    HD2  ARG  49           HD2      ARG  49  20.381  -5.038   6.990
  349    HD3  ARG  49           HD1      ARG  49  19.624  -5.180   8.514
  350    HE   ARG  49           HE       ARG  49  20.727  -7.131   8.831
  351   HH11  ARG  49          HH11      ARG  49  20.036  -7.140   5.302
  352   HH12  ARG  49          HH12      ARG  49  20.225  -8.824   5.163
  353   HH21  ARG  49          HH21      ARG  49  21.185  -9.488   8.473
  354   HH22  ARG  49          HH22      ARG  49  20.904 -10.115   6.913
  355    H    GLU  50           HN       GLU  50  15.783  -8.983   7.039
  356    HA   GLU  50           HA       GLU  50  16.921  -9.279   4.410
  357    HB2  GLU  50           HB2      GLU  50  15.718 -11.345   6.271
  358    HB3  GLU  50           HB1      GLU  50  16.543 -11.706   4.764
  359    HG2  GLU  50           HG2      GLU  50  17.820 -10.352   7.140
  360    HG3  GLU  50           HG1      GLU  50  17.930 -12.070   6.791
  361    H    ASP  51           HN       ASP  51  13.848  -8.932   5.819
  362    HA   ASP  51           HA       ASP  51  12.403 -10.062   3.590
  363    HB2  ASP  51           HB2      ASP  51  11.337  -8.335   5.825
  364    HB3  ASP  51           HB1      ASP  51  10.394  -9.341   4.730
  365    H    THR  52           HN       THR  52  13.164  -6.848   4.883
  366    HA   THR  52           HA       THR  52  11.828  -5.436   2.803
  367    HB   THR  52           HB       THR  52  13.451  -3.509   3.570
  368    HG1  THR  52           HG1      THR  52  13.697  -5.212   5.816
  369   HG21  THR  52          HG21      THR  52  11.429  -4.671   5.517
  370   HG22  THR  52          HG22      THR  52  11.053  -3.570   4.202
  371   HG23  THR  52          HG23      THR  52  12.033  -3.023   5.549
  372    H    ARG  53           HN       ARG  53  14.694  -7.096   2.960
  373    HA   ARG  53           HA       ARG  53  16.308  -5.915   0.982
  374    HB2  ARG  53           HB2      ARG  53  17.094  -7.505   2.630
  375    HB3  ARG  53           HB1      ARG  53  16.047  -8.741   1.974
  376    HG2  ARG  53           HG2      ARG  53  17.384  -8.720  -0.094
  377    HG3  ARG  53           HG1      ARG  53  18.466  -7.535   0.656
  378    HD2  ARG  53           HD2      ARG  53  18.922  -9.077   2.470
  379    HD3  ARG  53           HD1      ARG  53  17.819 -10.252   1.769
  380    HE   ARG  53           HE       ARG  53  19.602  -9.779  -0.187
  381   HH11  ARG  53          HH11      ARG  53  19.870 -10.717   3.229
  382   HH12  ARG  53          HH12      ARG  53  21.213 -11.703   3.074
  383   HH21  ARG  53          HH21      ARG  53  21.542 -11.171  -0.488
  384   HH22  ARG  53          HH22      ARG  53  22.216 -11.970   0.861
  385    H    GLU  54           HN       GLU  54  13.417  -7.791   0.808
  386    HA   GLU  54           HA       GLU  54  13.360  -9.208  -1.511
  387    HB2  GLU  54           HB2      GLU  54  11.449  -9.126  -0.070
  388    HB3  GLU  54           HB1      GLU  54  11.285  -7.395  -0.276
  389    HG2  GLU  54           HG2      GLU  54   9.524  -8.443  -1.478
  390    HG3  GLU  54           HG1      GLU  54  10.664  -7.803  -2.651
  391    H    ILE  55           HN       ILE  55  12.482  -5.780  -1.289
  392    HA   ILE  55           HA       ILE  55  12.188  -5.544  -4.081
  393    HB   ILE  55           HB       ILE  55  11.920  -3.033  -3.624
  394   HG12  ILE  55          HG12      ILE  55  11.985  -3.922  -0.740
  395   HG13  ILE  55          HG11      ILE  55  13.326  -3.074  -1.499
  396   HG21  ILE  55          HG21      ILE  55   9.816  -3.308  -2.604
  397   HG22  ILE  55          HG22      ILE  55  10.191  -5.050  -2.455
  398   HG23  ILE  55          HG23      ILE  55  10.163  -4.273  -4.025
  399   HD11  ILE  55          HD11      ILE  55  10.518  -2.018  -1.214
  400   HD12  ILE  55          HD12      ILE  55  11.879  -1.155  -1.930
  401   HD13  ILE  55          HD13      ILE  55  11.893  -1.560  -0.215
  402    H    SER  56           HN       SER  56  14.911  -5.048  -2.026
  403    HA   SER  56           HA       SER  56  16.411  -3.491  -3.862
  404    HB2  SER  56           HB2      SER  56  17.384  -5.230  -1.596
  405    HB3  SER  56           HB1      SER  56  18.227  -3.858  -2.325
  406    HG   SER  56           HG       SER  56  16.350  -2.590  -1.642
  407    H    CYS  57           HN       CYS  57  15.713  -6.875  -3.580
  408    HA   CYS  57           HA       CYS  57  18.002  -7.650  -5.197
  409    HB2  CYS  57           HB2      CYS  57  15.702  -9.325  -4.168
  410    HB3  CYS  57           HB1      CYS  57  17.194  -9.932  -4.878
  411    HG   CYS  57           HG       CYS  57  16.754  -8.376  -1.918
  412    H    ARG  58           HN       ARG  58  14.768  -6.706  -5.584
  413    HA   ARG  58           HA       ARG  58  14.420  -8.026  -8.173
  414    HB2  ARG  58           HB2      ARG  58  12.490  -6.159  -6.795
  415    HB3  ARG  58           HB1      ARG  58  12.147  -7.266  -8.115
  416    HG2  ARG  58           HG2      ARG  58  12.828  -7.989  -5.280
  417    HG3  ARG  58           HG1      ARG  58  11.260  -8.141  -6.065
  418    HD2  ARG  58           HD2      ARG  58  12.123  -9.858  -7.538
  419    HD3  ARG  58           HD1      ARG  58  13.755  -9.631  -6.898
  420    HE   ARG  58           HE       ARG  58  12.121 -10.158  -4.733
  421   HH11  ARG  58          HH11      ARG  58  13.220 -11.989  -7.552
  422   HH12  ARG  58          HH12      ARG  58  13.074 -13.498  -6.766
  423   HH21  ARG  58          HH21      ARG  58  11.926 -11.995  -3.735
  424   HH22  ARG  58          HH22      ARG  58  12.290 -13.536  -4.407
  425    H    THR  59           HN       THR  59  16.153  -5.590  -7.342
  426    HA   THR  59           HA       THR  59  15.322  -3.246  -8.295
  427    HB   THR  59           HB       THR  59  18.131  -4.322  -8.391
  428    HG1  THR  59           HG1      THR  59  17.834  -4.056  -6.277
  429   HG21  THR  59          HG21      THR  59  18.763  -1.905  -8.399
  430   HG22  THR  59          HG22      THR  59  17.031  -1.532  -8.626
  431   HG23  THR  59          HG23      THR  59  17.903  -2.409  -9.866
  432    H    SER  60           HN       SER  60  14.422  -2.700  -9.966
  433    HA   SER  60           HA       SER  60  15.669  -2.598 -12.478
  434    HB2  SER  60           HB2      SER  60  13.619  -3.628 -13.616
  435    HB3  SER  60           HB1      SER  60  14.655  -4.789 -12.782
  436    HG   SER  60           HG       SER  60  13.306  -4.844 -11.130
  437    H    SER  61           HN       SER  61  13.424  -1.568 -13.847
  438    HA   SER  61           HA       SER  61  13.081   0.868 -12.492
  439    HB2  SER  61           HB2      SER  61  11.564  -0.169 -14.879
  440    HB3  SER  61           HB1      SER  61  11.869   1.517 -14.447
  441    HG   SER  61           HG       SER  61  13.556   1.267 -15.691
  442    H    ARG  62           HN       ARG  62  10.678  -1.656 -13.356
  443    HA   ARG  62           HA       ARG  62   8.636  -0.198 -11.857
  444    HB2  ARG  62           HB2      ARG  62   8.533  -1.414 -14.236
  445    HB3  ARG  62           HB1      ARG  62   8.037  -2.768 -13.246
  446    HG2  ARG  62           HG2      ARG  62   6.639  -0.083 -13.304
  447    HG3  ARG  62           HG1      ARG  62   6.164  -1.469 -14.266
  448    HD2  ARG  62           HD2      ARG  62   5.717  -2.718 -12.172
  449    HD3  ARG  62           HD1      ARG  62   6.146  -1.277 -11.248
  450    HE   ARG  62           HE       ARG  62   4.195  -0.625 -13.144
  451   HH11  ARG  62          HH11      ARG  62   4.445  -2.404 -10.092
  452   HH12  ARG  62          HH12      ARG  62   2.832  -2.134  -9.610
  453   HH21  ARG  62          HH21      ARG  62   1.943  -0.216 -12.470
  454   HH22  ARG  62          HH22      ARG  62   1.385  -0.825 -10.994
  455    H    LYS  63           HN       LYS  63  10.668  -2.977 -11.334
  456    HA   LYS  63           HA       LYS  63   8.809  -4.418  -9.717
  457    HB2  LYS  63           HB2      LYS  63  11.763  -4.708 -10.065
  458    HB3  LYS  63           HB1      LYS  63  10.873  -5.631  -8.880
  459    HG2  LYS  63           HG2      LYS  63  10.309  -5.674 -11.838
  460    HG3  LYS  63           HG1      LYS  63  11.244  -6.886 -10.957
  461    HD2  LYS  63           HD2      LYS  63   9.212  -7.133  -9.466
  462    HD3  LYS  63           HD1      LYS  63   8.330  -6.211 -10.674
  463    HE2  LYS  63           HE2      LYS  63   9.765  -8.826 -11.193
  464    HE3  LYS  63           HE1      LYS  63   8.022  -8.614 -11.072
  465    HZ1  LYS  63           HZ1      LYS  63   9.774  -7.399 -13.147
  466    HZ2  LYS  63           HZ2      LYS  63   8.092  -7.211 -13.043
  467    HZ3  LYS  63           HZ3      LYS  63   8.753  -8.727 -13.366
  468    H    ARG  64           HN       ARG  64  11.725  -2.650  -8.770
  469    HA   ARG  64           HA       ARG  64  11.343  -3.227  -6.099
  470    HB2  ARG  64           HB2      ARG  64  13.049  -1.367  -5.658
  471    HB3  ARG  64           HB1      ARG  64  13.541  -2.744  -6.629
  472    HG2  ARG  64           HG2      ARG  64  13.314  -1.468  -8.648
  473    HG3  ARG  64           HG1      ARG  64  12.663  -0.085  -7.747
  474    HD2  ARG  64           HD2      ARG  64  14.764   0.233  -6.682
  475    HD3  ARG  64           HD1      ARG  64  15.381  -1.294  -7.311
  476    HE   ARG  64           HE       ARG  64  14.663   0.126  -9.509
  477   HH11  ARG  64          HH11      ARG  64  16.733   0.877  -6.771
  478   HH12  ARG  64          HH12      ARG  64  17.962   1.654  -7.621
  479   HH21  ARG  64          HH21      ARG  64  16.310   1.261 -10.801
  480   HH22  ARG  64          HH22      ARG  64  17.695   1.903 -10.038
  481    H    ALA  65           HN       ALA  65   9.794  -0.812  -7.907
  482    HA   ALA  65           HA       ALA  65   9.265   0.824  -5.614
  483    HB1  ALA  65           HB1      ALA  65   9.435   1.932  -7.764
  484    HB2  ALA  65           HB2      ALA  65   7.780   2.111  -7.153
  485    HB3  ALA  65           HB3      ALA  65   8.131   0.938  -8.409
  486    H    GLY  66           HN       GLY  66   7.456  -1.403  -7.742
  487    HA2  GLY  66           HA2      GLY  66   5.030  -1.082  -6.182
  488    HA3  GLY  66           HA1      GLY  66   5.204  -2.001  -7.662
  489    H    LYS  67           HN       LYS  67   7.584  -3.438  -6.442
  490    HA   LYS  67           HA       LYS  67   6.079  -5.651  -5.451
  491    HB2  LYS  67           HB2      LYS  67   8.571  -5.391  -6.596
  492    HB3  LYS  67           HB1      LYS  67   9.000  -5.643  -4.917
  493    HG2  LYS  67           HG2      LYS  67   7.281  -7.522  -6.543
  494    HG3  LYS  67           HG1      LYS  67   9.007  -7.716  -6.282
  495    HD2  LYS  67           HD2      LYS  67   8.634  -7.971  -3.889
  496    HD3  LYS  67           HD1      LYS  67   6.911  -7.673  -4.105
  497    HE2  LYS  67           HE2      LYS  67   6.768  -9.695  -5.523
  498    HE3  LYS  67           HE1      LYS  67   8.480  -9.998  -5.229
  499    HZ1  LYS  67           HZ1      LYS  67   6.372  -9.865  -3.154
  500    HZ2  LYS  67           HZ2      LYS  67   8.032 -10.306  -2.900
  501    HZ3  LYS  67           HZ3      LYS  67   7.005 -11.294  -3.779
  502    H    LEU  68           HN       LEU  68   7.348  -2.867  -4.017
  503    HA   LEU  68           HA       LEU  68   7.789  -3.719  -1.359
  504    HB2  LEU  68           HB2      LEU  68   8.465  -1.518  -1.992
  505    HB3  LEU  68           HB1      LEU  68   6.825  -1.087  -2.457
  506    HG   LEU  68           HG       LEU  68   6.251  -1.651  -0.030
  507   HD11  LEU  68          HD11      LEU  68   8.239  -2.630   0.635
  508   HD12  LEU  68          HD12      LEU  68   7.860  -1.193   1.591
  509   HD13  LEU  68          HD13      LEU  68   9.134  -1.117   0.353
  510   HD21  LEU  68          HD21      LEU  68   6.094   0.639  -0.952
  511   HD22  LEU  68          HD22      LEU  68   7.786   0.904  -0.531
  512   HD23  LEU  68          HD23      LEU  68   6.603   0.622   0.729
  513    H    LEU  69           HN       LEU  69   5.004  -2.500  -3.061
  514    HA   LEU  69           HA       LEU  69   3.337  -2.444  -0.770
  515    HB2  LEU  69           HB2      LEU  69   2.287  -2.452  -3.595
  516    HB3  LEU  69           HB1      LEU  69   1.699  -1.630  -2.200
  517    HG   LEU  69           HG       LEU  69   4.209  -0.776  -3.711
  518   HD11  LEU  69          HD11      LEU  69   2.229  -0.147  -4.894
  519   HD12  LEU  69          HD12      LEU  69   2.924   1.272  -4.073
  520   HD13  LEU  69          HD13      LEU  69   1.510   0.479  -3.408
  521   HD21  LEU  69          HD21      LEU  69   2.942   0.421  -1.239
  522   HD22  LEU  69          HD22      LEU  69   4.302   1.080  -2.161
  523   HD23  LEU  69          HD23      LEU  69   4.477  -0.447  -1.314
  524    H    ASP  70           HN       ASP  70   4.378  -4.741  -2.927
  525    HA   ASP  70           HA       ASP  70   2.278  -6.659  -2.750
  526    HB2  ASP  70           HB2      ASP  70   3.755  -6.683  -4.647
  527    HB3  ASP  70           HB1      ASP  70   5.159  -6.824  -3.600
  528    H    TYR  71           HN       TYR  71   5.573  -6.429  -1.246
  529    HA   TYR  71           HA       TYR  71   4.962  -8.712   0.324
  530    HB2  TYR  71           HB2      TYR  71   7.066  -8.443   1.562
  531    HB3  TYR  71           HB1      TYR  71   7.325  -8.521  -0.180
  532    HD1  TYR  71           HD2      TYR  71   7.929  -5.974  -1.227
  533    HD2  TYR  71           HD1      TYR  71   8.132  -7.069   2.905
  534    HE1  TYR  71           HE2      TYR  71   9.644  -4.219  -0.821
  535    HE2  TYR  71           HE1      TYR  71   9.796  -5.283   3.254
  536    HH   TYR  71           HH       TYR  71  10.451  -2.873   1.051
  537    H    LEU  72           HN       LEU  72   4.264  -5.579   0.791
  538    HA   LEU  72           HA       LEU  72   3.755  -5.888   3.648
  539    HB2  LEU  72           HB2      LEU  72   3.537  -3.620   1.722
  540    HB3  LEU  72           HB1      LEU  72   2.777  -3.548   3.299
  541    HG   LEU  72           HG       LEU  72   4.863  -2.417   3.492
  542   HD11  LEU  72          HD11      LEU  72   5.972  -3.632   5.170
  543   HD12  LEU  72          HD12      LEU  72   5.203  -5.123   4.662
  544   HD13  LEU  72          HD13      LEU  72   4.222  -3.784   5.297
  545   HD21  LEU  72          HD21      LEU  72   6.017  -3.348   1.545
  546   HD22  LEU  72          HD22      LEU  72   6.221  -4.869   2.410
  547   HD23  LEU  72          HD23      LEU  72   7.011  -3.406   2.999
  548    H    GLN  73           HN       GLN  73   2.117  -6.546   0.754
  549    HA   GLN  73           HA       GLN  73  -0.554  -6.179   1.868
  550    HB2  GLN  73           HB2      GLN  73  -0.103  -5.666  -0.469
  551    HB3  GLN  73           HB1      GLN  73   0.360  -7.335  -0.744
  552    HG2  GLN  73           HG2      GLN  73  -1.980  -6.661  -1.465
  553    HG3  GLN  73           HG1      GLN  73  -1.935  -8.083  -0.366
  554   HE21  GLN  73          HE21      GLN  73  -3.773  -6.433  -1.456
  555   HE22  GLN  73          HE22      GLN  73  -4.537  -5.549  -0.168
  556    H    GLU  74           HN       GLU  74   1.859  -8.575   1.787
  557    HA   GLU  74           HA       GLU  74   0.409 -10.995   1.945
  558    HB2  GLU  74           HB2      GLU  74   2.842 -10.928   1.821
  559    HB3  GLU  74           HB1      GLU  74   2.922 -10.076   3.355
  560    HG2  GLU  74           HG2      GLU  74   1.641 -12.218   4.205
  561    HG3  GLU  74           HG1      GLU  74   2.433 -12.944   2.803
  562    H    ASN  75           HN       ASN  75   1.375  -8.634   4.252
  563    HA   ASN  75           HA       ASN  75  -0.592  -9.560   6.170
  564    HB2  ASN  75           HB2      ASN  75   0.932  -8.425   7.922
  565    HB3  ASN  75           HB1      ASN  75   1.529  -9.927   7.240
  566   HD21  ASN  75          HD21      ASN  75   3.440  -9.893   5.906
  567   HD22  ASN  75          HD22      ASN  75   4.400  -8.492   5.805
  568    HA   PRO  76           HA       PRO  76  -2.295  -6.028   3.799
  569    HB2  PRO  76           HB2      PRO  76  -4.286  -6.509   5.979
  570    HB3  PRO  76           HB1      PRO  76  -4.571  -6.121   4.265
  571    HG2  PRO  76           HG2      PRO  76  -4.760  -8.604   5.023
  572    HG3  PRO  76           HG1      PRO  76  -3.906  -8.200   3.520
  573    HD2  PRO  76           HD2      PRO  76  -2.788  -9.107   6.108
  574    HD3  PRO  76           HD1      PRO  76  -2.178  -9.348   4.459
  575    H    LYS  77           HN       LYS  77  -1.945  -5.861   7.321
  576    HA   LYS  77           HA       LYS  77  -2.516  -3.060   7.301
  577    HB2  LYS  77           HB2      LYS  77  -2.997  -4.463   9.325
  578    HB3  LYS  77           HB1      LYS  77  -1.272  -4.660   9.572
  579    HG2  LYS  77           HG2      LYS  77  -2.370  -1.882   9.475
  580    HG3  LYS  77           HG1      LYS  77  -2.683  -2.852  10.909
  581    HD2  LYS  77           HD2      LYS  77  -0.341  -3.085  11.346
  582    HD3  LYS  77           HD1      LYS  77   0.076  -2.414   9.771
  583    HE2  LYS  77           HE2      LYS  77  -1.395  -0.851  11.893
  584    HE3  LYS  77           HE1      LYS  77   0.360  -0.860  11.752
  585    HZ1  LYS  77           HZ1      LYS  77  -0.578   1.056  10.607
  586    HZ2  LYS  77           HZ2      LYS  77  -1.543   0.117   9.629
  587    HZ3  LYS  77           HZ3      LYS  77   0.139   0.017   9.504
  588    H    GLY  78           HN       GLY  78   0.215  -4.911   6.561
  589    HA2  GLY  78           HA2      GLY  78   2.261  -3.067   7.154
  590    HA3  GLY  78           HA1      GLY  78   2.315  -4.384   5.982
  591    H    LEU  79           HN       LEU  79   0.299  -3.698   4.268
  592    HA   LEU  79           HA       LEU  79   1.487  -1.621   2.767
  593    HB2  LEU  79           HB2      LEU  79   0.357  -3.506   1.672
  594    HB3  LEU  79           HB1      LEU  79  -1.166  -3.042   2.386
  595    HG   LEU  79           HG       LEU  79  -1.379  -1.153   0.912
  596   HD11  LEU  79          HD11      LEU  79   0.341  -0.593  -0.729
  597   HD12  LEU  79          HD12      LEU  79   1.409  -1.804  -0.022
  598   HD13  LEU  79          HD13      LEU  79   0.943  -0.376   0.918
  599   HD21  LEU  79          HD21      LEU  79  -1.858  -3.418  -0.047
  600   HD22  LEU  79          HD22      LEU  79  -0.228  -3.362  -0.770
  601   HD23  LEU  79          HD23      LEU  79  -1.426  -2.178  -1.221
  602    H    ASP  80           HN       ASP  80  -1.209  -1.767   4.933
  603    HA   ASP  80           HA       ASP  80  -2.172   0.886   4.682
  604    HB2  ASP  80           HB2      ASP  80  -3.486  -0.626   5.982
  605    HB3  ASP  80           HB1      ASP  80  -2.120  -1.016   7.020
  606    H    THR  81           HN       THR  81   0.509  -0.467   6.335
  607    HA   THR  81           HA       THR  81   1.304   1.789   7.858
  608    HB   THR  81           HB       THR  81   2.717  -0.737   6.996
  609    HG1  THR  81           HG1      THR  81   1.271  -1.335   8.352
  610   HG21  THR  81          HG21      THR  81   4.374  -0.338   8.728
  611   HG22  THR  81          HG22      THR  81   3.635   1.219   9.132
  612   HG23  THR  81          HG23      THR  81   4.428   1.004   7.581
  613    H    LEU  82           HN       LEU  82   1.869   0.709   4.596
  614    HA   LEU  82           HA       LEU  82   4.065   2.483   4.044
  615    HB2  LEU  82           HB2      LEU  82   2.264   0.995   2.160
  616    HB3  LEU  82           HB1      LEU  82   3.751   1.804   1.727
  617    HG   LEU  82           HG       LEU  82   3.467  -0.668   3.425
  618   HD11  LEU  82          HD11      LEU  82   4.661  -1.701   1.596
  619   HD12  LEU  82          HD12      LEU  82   4.593  -0.175   0.717
  620   HD13  LEU  82          HD13      LEU  82   3.106  -1.031   1.112
  621   HD21  LEU  82          HD21      LEU  82   5.298   0.675   4.308
  622   HD22  LEU  82          HD22      LEU  82   5.916   0.941   2.689
  623   HD23  LEU  82          HD23      LEU  82   5.976  -0.673   3.390
  624    H    VAL  83           HN       VAL  83   0.648   2.319   3.044
  625    HA   VAL  83           HA       VAL  83   0.599   4.707   1.574
  626    HB   VAL  83           HB       VAL  83  -1.241   3.132   1.298
  627   HG11  VAL  83          HG11      VAL  83  -1.290   2.241   3.541
  628   HG12  VAL  83          HG12      VAL  83  -2.910   2.750   3.040
  629   HG13  VAL  83          HG13      VAL  83  -1.967   3.749   4.151
  630   HG21  VAL  83          HG21      VAL  83  -1.813   5.448   0.860
  631   HG22  VAL  83          HG22      VAL  83  -2.181   5.660   2.574
  632   HG23  VAL  83          HG23      VAL  83  -3.209   4.611   1.580
  633    H    GLU  84           HN       GLU  84   0.641   4.216   4.902
  634    HA   GLU  84           HA       GLU  84  -0.556   6.473   5.874
  635    HB2  GLU  84           HB2      GLU  84   0.187   4.575   7.221
  636    HB3  GLU  84           HB1      GLU  84   1.858   5.014   6.928
  637    HG2  GLU  84           HG2      GLU  84   1.120   7.276   8.029
  638    HG3  GLU  84           HG1      GLU  84  -0.141   6.255   8.732
  639    H    SER  85           HN       SER  85   2.547   6.065   4.258
  640    HA   SER  85           HA       SER  85   3.653   8.541   5.159
  641    HB2  SER  85           HB2      SER  85   5.426   8.144   3.448
  642    HB3  SER  85           HB1      SER  85   5.186   6.755   4.502
  643    HG   SER  85           HG       SER  85   4.001   5.756   2.819
  644    H    ILE  86           HN       ILE  86   1.609   7.546   2.569
  645    HA   ILE  86           HA       ILE  86   1.797  10.024   1.106
  646    HB   ILE  86           HB       ILE  86  -0.319   7.843   0.860
  647   HG12  ILE  86          HG12      ILE  86   2.293   8.101  -0.650
  648   HG13  ILE  86          HG11      ILE  86   1.989   6.939   0.634
  649   HG21  ILE  86          HG21      ILE  86  -0.558   8.702  -1.433
  650   HG22  ILE  86          HG22      ILE  86   0.677   9.918  -1.110
  651   HG23  ILE  86          HG23      ILE  86  -0.862   9.977  -0.253
  652   HD11  ILE  86          HD11      ILE  86   0.547   7.072  -2.006
  653   HD12  ILE  86          HD12      ILE  86   0.241   5.913  -0.716
  654   HD13  ILE  86          HD13      ILE  86   1.794   5.909  -1.549
  655    H    ARG  87           HN       ARG  87  -0.166   8.513   3.501
  656    HA   ARG  87           HA       ARG  87  -2.438  10.187   3.784
  657    HB2  ARG  87           HB2      ARG  87  -2.085   7.926   4.777
  658    HB3  ARG  87           HB1      ARG  87  -0.924   8.616   5.889
  659    HG2  ARG  87           HG2      ARG  87  -2.728   9.941   6.910
  660    HG3  ARG  87           HG1      ARG  87  -3.880   9.179   5.806
  661    HD2  ARG  87           HD2      ARG  87  -2.155   7.754   7.842
  662    HD3  ARG  87           HD1      ARG  87  -3.889   8.043   7.974
  663    HE   ARG  87           HE       ARG  87  -3.689   6.720   5.653
  664   HH11  ARG  87          HH11      ARG  87  -2.391   5.933   8.874
  665   HH12  ARG  87          HH12      ARG  87  -2.492   4.250   8.657
  666   HH21  ARG  87          HH21      ARG  87  -3.824   4.344   5.388
  667   HH22  ARG  87          HH22      ARG  87  -3.363   3.327   6.664
  668    H    ARG  88           HN       ARG  88   0.708  10.852   4.260
  669    HA   ARG  88           HA       ARG  88   0.864  12.859   6.305
  670    HB2  ARG  88           HB2      ARG  88   2.719  11.342   5.006
  671    HB3  ARG  88           HB1      ARG  88   2.872  12.852   4.126
  672    HG2  ARG  88           HG2      ARG  88   4.045  13.776   5.771
  673    HG3  ARG  88           HG1      ARG  88   2.822  13.343   6.969
  674    HD2  ARG  88           HD2      ARG  88   5.074  11.609   5.951
  675    HD3  ARG  88           HD1      ARG  88   4.883  12.260   7.581
  676    HE   ARG  88           HE       ARG  88   2.718  10.589   6.661
  677   HH11  ARG  88          HH11      ARG  88   5.731  10.612   8.540
  678   HH12  ARG  88          HH12      ARG  88   5.415   9.106   9.281
  679   HH21  ARG  88          HH21      ARG  88   2.338   8.566   7.630
  680   HH22  ARG  88          HH22      ARG  88   3.378   7.863   8.747
  681    H    GLU  89           HN       GLU  89  -0.856  12.848   3.953
  682    HA   GLU  89           HA       GLU  89  -0.577  13.854   1.657
  683    HB2  GLU  89           HB2      GLU  89  -2.933  14.387   1.677
  684    HB3  GLU  89           HB1      GLU  89  -2.433  12.818   2.321
  685    HG2  GLU  89           HG2      GLU  89  -4.299  13.765   3.606
  686    HG3  GLU  89           HG1      GLU  89  -2.854  13.598   4.592
  687    H    LYS  90           HN       LYS  90  -0.357  16.179   4.183
  688    HA   LYS  90           HA       LYS  90  -1.622  18.269   2.863
  689    HB2  LYS  90           HB2      LYS  90  -0.768  18.286   5.238
  690    HB3  LYS  90           HB1      LYS  90   0.826  18.625   4.589
  691    HG2  LYS  90           HG2      LYS  90  -0.312  20.638   5.398
  692    HG3  LYS  90           HG1      LYS  90   0.078  20.718   3.685
  693    HD2  LYS  90           HD2      LYS  90  -2.147  21.641   4.088
  694    HD3  LYS  90           HD1      LYS  90  -2.275  20.188   3.121
  695    HE2  LYS  90           HE2      LYS  90  -2.692  20.181   6.119
  696    HE3  LYS  90           HE1      LYS  90  -3.993  20.558   5.006
  697    HZ1  LYS  90           HZ1      LYS  90  -4.087  18.219   5.653
  698    HZ2  LYS  90           HZ2      LYS  90  -2.567  17.890   5.186
  699    HZ3  LYS  90           HZ3      LYS  90  -3.697  18.223   4.056
  700    H    THR  91           HN       THR  91   1.346  16.767   2.011
  701    HA   THR  91           HA       THR  91   1.814  18.753  -0.108
  702    HB   THR  91           HB       THR  91   3.661  16.499   0.727
  703    HG1  THR  91           HG1      THR  91   3.279  19.102   1.776
  704   HG21  THR  91          HG21      THR  91   4.154  17.609  -1.436
  705   HG22  THR  91          HG22      THR  91   5.395  17.958  -0.232
  706   HG23  THR  91          HG23      THR  91   4.175  19.171  -0.617
  707    H    GLN  92           HN       GLN  92   0.126  15.857   0.286
  708    HA   GLN  92           HA       GLN  92   0.638  14.835  -2.472
  709    HB2  GLN  92           HB2      GLN  92   0.518  13.109   0.017
  710    HB3  GLN  92           HB1      GLN  92   0.667  12.528  -1.626
  711    HG2  GLN  92           HG2      GLN  92   2.880  13.424  -1.805
  712    HG3  GLN  92           HG1      GLN  92   2.721  14.243  -0.249
  713   HE21  GLN  92          HE21      GLN  92   2.767  13.027   1.634
  714   HE22  GLN  92          HE22      GLN  92   3.365  11.403   1.672
  715    H    ASN  93           HN       ASN  93  -1.589  16.249  -0.978
  716    HA   ASN  93           HA       ASN  93  -3.634  14.628  -0.053
  717    HB2  ASN  93           HB2      ASN  93  -3.481  17.052   0.332
  718    HB3  ASN  93           HB1      ASN  93  -3.971  17.334  -1.330
  719   HD21  ASN  93          HD21      ASN  93  -5.037  16.350   1.879
  720   HD22  ASN  93          HD22      ASN  93  -6.711  16.396   1.481
  721    H    PHE  94           HN       PHE  94  -3.073  15.462  -3.368
  722    HA   PHE  94           HA       PHE  94  -5.632  14.837  -4.262
  723    HB2  PHE  94           HB2      PHE  94  -4.649  14.715  -6.568
  724    HB3  PHE  94           HB1      PHE  94  -4.276  16.183  -5.688
  725    HD1  PHE  94           HD1      PHE  94  -1.950  16.369  -4.618
  726    HD2  PHE  94           HD2      PHE  94  -2.962  13.405  -7.504
  727    HE1  PHE  94           HE1      PHE  94   0.434  16.053  -5.123
  728    HE2  PHE  94           HE2      PHE  94  -0.575  13.081  -8.006
  729    HZ   PHE  94           HZ       PHE  94   1.125  14.405  -6.816
  730    H    LEU  95           HN       LEU  95  -3.087  12.707  -3.381
  731    HA   LEU  95           HA       LEU  95  -4.076  10.432  -4.851
  732    HB2  LEU  95           HB2      LEU  95  -1.940  10.913  -2.882
  733    HB3  LEU  95           HB1      LEU  95  -2.680   9.351  -2.814
  734    HG   LEU  95           HG       LEU  95  -0.675   9.274  -4.202
  735   HD11  LEU  95          HD11      LEU  95  -2.461   7.714  -4.602
  736   HD12  LEU  95          HD12      LEU  95  -1.653   8.135  -6.109
  737   HD13  LEU  95          HD13      LEU  95  -3.233   8.825  -5.738
  738   HD21  LEU  95          HD21      LEU  95  -2.189  11.119  -6.023
  739   HD22  LEU  95          HD22      LEU  95  -0.673  10.306  -6.399
  740   HD23  LEU  95          HD23      LEU  95  -0.724  11.533  -5.122
  741    H    ILE  96           HN       ILE  96  -4.670  11.902  -1.835
  742    HA   ILE  96           HA       ILE  96  -5.491   9.528  -0.462
  743    HB   ILE  96           HB       ILE  96  -6.222  12.317   0.452
  744   HG12  ILE  96          HG12      ILE  96  -3.910  12.424  -0.359
  745   HG13  ILE  96          HG11      ILE  96  -4.028  12.556   1.398
  746   HG21  ILE  96          HG21      ILE  96  -5.054  10.036   2.071
  747   HG22  ILE  96          HG22      ILE  96  -6.791  10.115   1.752
  748   HG23  ILE  96          HG23      ILE  96  -5.989  11.408   2.648
  749   HD11  ILE  96          HD11      ILE  96  -3.346  10.159   1.529
  750   HD12  ILE  96          HD12      ILE  96  -2.147  11.220   0.795
  751   HD13  ILE  96          HD13      ILE  96  -3.134  10.184  -0.232
  752    H    GLN  97           HN       GLN  97  -7.010  12.059  -2.279
  753    HA   GLN  97           HA       GLN  97  -9.694  11.439  -1.705
  754    HB2  GLN  97           HB2      GLN  97  -9.057  13.513  -2.854
  755    HB3  GLN  97           HB1      GLN  97  -8.464  12.592  -4.224
  756    HG2  GLN  97           HG2      GLN  97 -10.632  13.603  -4.704
  757    HG3  GLN  97           HG1      GLN  97 -10.729  11.846  -4.730
  758   HE21  GLN  97          HE21      GLN  97 -11.924  10.790  -3.128
  759   HE22  GLN  97          HE22      GLN  97 -13.022  11.658  -2.108
  760    H    LYS  98           HN       LYS  98  -7.398  10.165  -4.047
  761    HA   LYS  98           HA       LYS  98  -9.202   8.460  -5.415
  762    HB2  LYS  98           HB2      LYS  98  -7.092   9.115  -6.446
  763    HB3  LYS  98           HB1      LYS  98  -6.187   8.380  -5.142
  764    HG2  LYS  98           HG2      LYS  98  -5.925   6.845  -6.859
  765    HG3  LYS  98           HG1      LYS  98  -7.255   6.160  -5.946
  766    HD2  LYS  98           HD2      LYS  98  -7.553   7.805  -8.478
  767    HD3  LYS  98           HD1      LYS  98  -7.542   6.052  -8.424
  768    HE2  LYS  98           HE2      LYS  98  -9.612   7.898  -7.207
  769    HE3  LYS  98           HE1      LYS  98  -9.796   6.885  -8.620
  770    HZ1  LYS  98           HZ1      LYS  98  -9.584   4.888  -7.195
  771    HZ2  LYS  98           HZ2      LYS  98 -10.826   5.885  -6.720
  772    HZ3  LYS  98           HZ3      LYS  98  -9.410   5.878  -5.841
  773    H    ILE  99           HN       ILE  99  -6.959   7.992  -2.749
  774    HA   ILE  99           HA       ILE  99  -7.318   5.230  -2.362
  775    HB   ILE  99           HB       ILE  99  -6.586   7.346  -0.307
  776   HG12  ILE  99          HG12      ILE  99  -4.785   5.606  -2.014
  777   HG13  ILE  99          HG11      ILE  99  -5.142   7.293  -2.342
  778   HG21  ILE  99          HG21      ILE  99  -5.511   5.501   0.920
  779   HG22  ILE  99          HG22      ILE  99  -6.113   4.356  -0.277
  780   HG23  ILE  99          HG23      ILE  99  -7.247   5.233   0.750
  781   HD11  ILE  99          HD11      ILE  99  -2.974   7.023  -1.287
  782   HD12  ILE  99          HD12      ILE  99  -3.736   6.230   0.093
  783   HD13  ILE  99          HD13      ILE  99  -4.071   7.926  -0.243
  784    H    THR 100           HN       THR 100  -8.840   7.997  -0.718
  785    HA   THR 100           HA       THR 100 -10.564   6.587   0.954
  786    HB   THR 100           HB       THR 100 -10.967   9.326  -0.297
  787    HG1  THR 100           HG1      THR 100  -9.076   9.459   0.762
  788   HG21  THR 100          HG21      THR 100 -12.058   8.148   2.273
  789   HG22  THR 100          HG22      THR 100 -12.996   8.506   0.820
  790   HG23  THR 100          HG23      THR 100 -12.266   9.816   1.744
  791    H    ASP 101           HN       ASP 101 -11.001   7.805  -2.342
  792    HA   ASP 101           HA       ASP 101 -13.660   7.171  -2.772
  793    HB2  ASP 101           HB2      ASP 101 -12.659   8.481  -4.432
  794    HB3  ASP 101           HB1      ASP 101 -11.289   7.391  -4.598
  795    H    GLU 102           HN       GLU 102 -10.829   5.058  -3.013
  796    HA   GLU 102           HA       GLU 102 -12.292   2.922  -4.140
  797    HB2  GLU 102           HB2      GLU 102  -9.724   2.782  -2.554
  798    HB3  GLU 102           HB1      GLU 102 -10.402   1.472  -3.506
  799    HG2  GLU 102           HG2      GLU 102  -9.352   4.101  -4.531
  800    HG3  GLU 102           HG1      GLU 102  -8.596   2.525  -4.699
  801    H    VAL 103           HN       VAL 103 -11.236   3.566  -0.842
  802    HA   VAL 103           HA       VAL 103 -12.290   1.343   0.432
  803    HB   VAL 103           HB       VAL 103 -12.009   4.171   1.508
  804   HG11  VAL 103          HG11      VAL 103 -13.554   2.908   2.913
  805   HG12  VAL 103          HG12      VAL 103 -12.021   3.170   3.747
  806   HG13  VAL 103          HG13      VAL 103 -12.382   1.597   3.039
  807   HG21  VAL 103          HG21      VAL 103  -9.943   3.333   2.508
  808   HG22  VAL 103          HG22      VAL 103  -9.906   3.184   0.747
  809   HG23  VAL 103          HG23      VAL 103 -10.215   1.766   1.755
  810    H    LEU 104           HN       LEU 104 -13.899   4.404  -0.265
  811    HA   LEU 104           HA       LEU 104 -16.266   3.738   1.083
  812    HB2  LEU 104           HB2      LEU 104 -15.546   5.876  -0.880
  813    HB3  LEU 104           HB1      LEU 104 -17.236   5.611  -0.536
  814    HG   LEU 104           HG       LEU 104 -16.888   6.188   1.811
  815   HD11  LEU 104          HD11      LEU 104 -14.641   5.351   2.158
  816   HD12  LEU 104          HD12      LEU 104 -14.760   7.045   2.634
  817   HD13  LEU 104          HD13      LEU 104 -13.997   6.606   1.105
  818   HD21  LEU 104          HD21      LEU 104 -15.665   8.199  -0.062
  819   HD22  LEU 104          HD22      LEU 104 -16.315   8.543   1.541
  820   HD23  LEU 104          HD23      LEU 104 -17.385   7.975   0.259
  821    H    LYS 105           HN       LYS 105 -15.333   3.271  -2.315
  822    HA   LYS 105           HA       LYS 105 -17.989   2.401  -3.079
  823    HB2  LYS 105           HB2      LYS 105 -15.415   2.016  -4.478
  824    HB3  LYS 105           HB1      LYS 105 -16.984   1.722  -5.208
  825    HG2  LYS 105           HG2      LYS 105 -17.457   4.188  -4.872
  826    HG3  LYS 105           HG1      LYS 105 -15.760   4.370  -4.424
  827    HD2  LYS 105           HD2      LYS 105 -16.850   3.418  -7.085
  828    HD3  LYS 105           HD1      LYS 105 -16.026   4.940  -6.763
  829    HE2  LYS 105           HE2      LYS 105 -14.801   2.177  -6.564
  830    HE3  LYS 105           HE1      LYS 105 -14.547   3.327  -7.869
  831    HZ1  LYS 105           HZ1      LYS 105 -12.747   3.253  -6.174
  832    HZ2  LYS 105           HZ2      LYS 105 -13.839   3.928  -5.055
  833    HZ3  LYS 105           HZ3      LYS 105 -13.404   4.782  -6.407
  834    H    LEU 106           HN       LEU 106 -15.148   1.012  -1.842
  835    HA   LEU 106           HA       LEU 106 -15.328  -1.605  -2.701
  836    HB2  LEU 106           HB2      LEU 106 -13.776  -0.073  -0.878
  837    HB3  LEU 106           HB1      LEU 106 -14.128  -1.607  -0.146
  838    HG   LEU 106           HG       LEU 106 -11.953  -1.634  -1.294
  839   HD11  LEU 106          HD11      LEU 106 -12.232  -3.566  -2.735
  840   HD12  LEU 106          HD12      LEU 106 -13.975  -3.321  -2.731
  841   HD13  LEU 106          HD13      LEU 106 -13.136  -3.734  -1.235
  842   HD21  LEU 106          HD21      LEU 106 -13.495  -1.049  -3.821
  843   HD22  LEU 106          HD22      LEU 106 -11.777  -1.435  -3.720
  844   HD23  LEU 106          HD23      LEU 106 -12.392   0.052  -2.996
  845    H    ARG 107           HN       ARG 107 -17.307  -0.057  -0.369
  846    HA   ARG 107           HA       ARG 107 -17.980  -2.291   1.228
  847    HB2  ARG 107           HB2      ARG 107 -19.992  -1.121   1.892
  848    HB3  ARG 107           HB1      ARG 107 -18.562  -0.128   2.012
  849    HG2  ARG 107           HG2      ARG 107 -19.228   1.092   0.030
  850    HG3  ARG 107           HG1      ARG 107 -20.645   0.037  -0.150
  851    HD2  ARG 107           HD2      ARG 107 -21.463   0.685   2.004
  852    HD3  ARG 107           HD1      ARG 107 -20.033   1.648   2.310
  853    HE   ARG 107           HE       ARG 107 -21.151   2.657   0.044
  854   HH11  ARG 107          HH11      ARG 107 -22.089   2.114   3.433
  855   HH12  ARG 107          HH12      ARG 107 -23.154   3.411   3.550
  856   HH21  ARG 107          HH21      ARG 107 -22.642   4.546   0.167
  857   HH22  ARG 107          HH22      ARG 107 -23.475   4.860   1.622
  858    H    ASN 108           HN       ASN 108 -18.875  -1.683  -2.000
  859    HA   ASN 108           HA       ASN 108 -21.177  -3.419  -1.919
  860    HB2  ASN 108           HB2      ASN 108 -21.035  -1.750  -3.705
  861    HB3  ASN 108           HB1      ASN 108 -19.526  -2.450  -4.275
  862   HD21  ASN 108          HD21      ASN 108 -23.001  -2.916  -4.053
  863   HD22  ASN 108          HD22      ASN 108 -23.060  -4.130  -5.285
  864    H    ILE 109           HN       ILE 109 -17.791  -3.732  -2.389
  865    HA   ILE 109           HA       ILE 109 -17.718  -6.319  -3.464
  866    HB   ILE 109           HB       ILE 109 -15.614  -4.560  -2.192
  867   HG12  ILE 109          HG12      ILE 109 -14.536  -4.748  -4.456
  868   HG13  ILE 109          HG11      ILE 109 -15.907  -5.702  -4.983
  869   HG21  ILE 109          HG21      ILE 109 -14.985  -6.782  -1.467
  870   HG22  ILE 109          HG22      ILE 109 -13.856  -6.197  -2.689
  871   HG23  ILE 109          HG23      ILE 109 -15.093  -7.378  -3.124
  872   HD11  ILE 109          HD11      ILE 109 -15.979  -2.818  -4.110
  873   HD12  ILE 109          HD12      ILE 109 -17.369  -3.767  -4.626
  874   HD13  ILE 109          HD13      ILE 109 -16.070  -3.417  -5.765
  875    H    LYS 110           HN       LYS 110 -18.029  -5.140  -0.234
  876    HA   LYS 110           HA       LYS 110 -17.439  -7.209   1.448
  877    HB2  LYS 110           HB2      LYS 110 -19.815  -5.430   1.307
  878    HB3  LYS 110           HB1      LYS 110 -19.781  -6.697   2.561
  879    HG2  LYS 110           HG2      LYS 110 -17.719  -5.531   3.344
  880    HG3  LYS 110           HG1      LYS 110 -18.029  -4.299   2.109
  881    HD2  LYS 110           HD2      LYS 110 -19.129  -3.356   3.869
  882    HD3  LYS 110           HD1      LYS 110 -20.429  -4.292   3.160
  883    HE2  LYS 110           HE2      LYS 110 -20.543  -4.631   5.528
  884    HE3  LYS 110           HE1      LYS 110 -19.906  -6.117   4.831
  885    HZ1  LYS 110           HZ1      LYS 110 -17.745  -5.599   5.562
  886    HZ2  LYS 110           HZ2      LYS 110 -18.682  -5.197   6.915
  887    HZ3  LYS 110           HZ3      LYS 110 -18.100  -4.023   5.917
  888    H    LEU 111           HN       LEU 111 -20.289  -7.018  -0.661
  889    HA   LEU 111           HA       LEU 111 -21.517  -9.397   0.284
  890    HB2  LEU 111           HB2      LEU 111 -21.974  -7.898  -2.293
  891    HB3  LEU 111           HB1      LEU 111 -23.045  -9.102  -1.609
  892    HG   LEU 111           HG       LEU 111 -22.403  -6.431  -0.352
  893   HD11  LEU 111          HD11      LEU 111 -24.708  -5.846  -0.937
  894   HD12  LEU 111          HD12      LEU 111 -24.866  -7.371  -1.810
  895   HD13  LEU 111          HD13      LEU 111 -23.717  -6.151  -2.362
  896   HD21  LEU 111          HD21      LEU 111 -24.253  -6.970   1.175
  897   HD22  LEU 111          HD22      LEU 111 -22.927  -8.118   1.326
  898   HD23  LEU 111          HD23      LEU 111 -24.386  -8.569   0.442
  899    H    GLU 112           HN       GLU 112 -18.964  -8.900  -1.902
  900    HA   GLU 112           HA       GLU 112 -19.371 -11.375  -3.382
  901    HB2  GLU 112           HB2      GLU 112 -18.426  -9.397  -4.528
  902    HB3  GLU 112           HB1      GLU 112 -17.087  -9.382  -3.392
  903    HG2  GLU 112           HG2      GLU 112 -16.494 -11.680  -4.232
  904    HG3  GLU 112           HG1      GLU 112 -17.688 -11.436  -5.504
  905    H    HIS 113           HN       HIS 113 -17.452 -10.020  -0.805
  906    HA   HIS 113           HA       HIS 113 -15.915 -12.484  -0.682
  907    HB2  HIS 113           HB2      HIS 113 -15.273  -9.790   0.561
  908    HB3  HIS 113           HB1      HIS 113 -14.330 -11.248   0.887
  909    HD1  HIS 113           HD1      HIS 113 -12.827  -8.845  -0.640
  910    HD2  HIS 113           HD2      HIS 113 -14.840 -11.999  -2.523
  911    HE1  HIS 113           HE1      HIS 113 -11.969  -8.936  -2.916
  912    HE2  HIS 113           HE2      HIS 113 -13.676 -10.390  -4.051
  913    H    LEU 114           HN       LEU 114 -18.436 -10.957   1.005
  914    HA   LEU 114           HA       LEU 114 -18.522 -13.292   2.690
  915    HB2  LEU 114           HB2      LEU 114 -19.211 -12.005   4.658
  916    HB3  LEU 114           HB1      LEU 114 -17.607 -11.541   4.165
  917    HG   LEU 114           HG       LEU 114 -18.710  -9.472   3.097
  918   HD11  LEU 114          HD11      LEU 114 -21.029 -10.278   4.866
  919   HD12  LEU 114          HD12      LEU 114 -21.048 -10.225   3.111
  920   HD13  LEU 114          HD13      LEU 114 -20.849  -8.732   4.030
  921   HD21  LEU 114          HD21      LEU 114 -17.376  -9.375   5.114
  922   HD22  LEU 114          HD22      LEU 114 -18.778  -9.827   6.086
  923   HD23  LEU 114          HD23      LEU 114 -18.755  -8.283   5.233
  924    H    LYS 115           HN       LYS 115 -20.655 -14.008   3.084
  925    HA   LYS 115           HA       LYS 115 -22.913 -12.667   2.865
  926    HB2  LYS 115           HB2      LYS 115 -23.849 -13.159   0.650
  927    HB3  LYS 115           HB1      LYS 115 -22.273 -12.476   0.323
  928    HG2  LYS 115           HG2      LYS 115 -23.051 -15.399   0.181
  929    HG3  LYS 115           HG1      LYS 115 -22.720 -14.332  -1.171
  930    HD2  LYS 115           HD2      LYS 115 -20.493 -14.644  -1.004
  931    HD3  LYS 115           HD1      LYS 115 -20.523 -14.503   0.758
  932    HE2  LYS 115           HE2      LYS 115 -21.315 -16.943  -0.836
  933    HE3  LYS 115           HE1      LYS 115 -19.815 -16.744   0.072
  934    HZ1  LYS 115           HZ1      LYS 115 -21.468 -18.008   1.424
  935    HZ2  LYS 115           HZ2      LYS 115 -22.548 -16.699   1.293
  936    HZ3  LYS 115           HZ3      LYS 115 -21.198 -16.495   2.125
  Start of MODEL    3
    1    H    GLU  10           HT1      GLU  10 -18.496   4.337   7.110
    2    HA   GLU  10           HA       GLU  10 -17.297   3.060   5.407
    3    HB2  GLU  10           HB2      GLU  10 -14.879   2.995   5.306
    4    HB3  GLU  10           HB1      GLU  10 -15.383   4.667   5.144
    5    HG2  GLU  10           HG2      GLU  10 -14.465   3.361   7.625
    6    HG3  GLU  10           HG1      GLU  10 -13.393   4.359   6.610
    7    H    GLU  11           HN       GLU  11 -17.335   3.579   8.666
    8    HA   GLU  11           HA       GLU  11 -16.452   1.605  10.123
    9    HB2  GLU  11           HB2      GLU  11 -18.483   1.871  11.474
   10    HB3  GLU  11           HB1      GLU  11 -17.891   3.412  10.893
   11    HG2  GLU  11           HG2      GLU  11 -20.350   1.902   9.928
   12    HG3  GLU  11           HG1      GLU  11 -20.306   3.445  10.770
   13    H    ASP  12           HN       ASP  12 -19.374   1.215   8.068
   14    HA   ASP  12           HA       ASP  12 -19.594  -1.578   8.804
   15    HB2  ASP  12           HB2      ASP  12 -21.662  -0.377   8.497
   16    HB3  ASP  12           HB1      ASP  12 -21.189   0.123   6.876
   17    H    LEU  13           HN       LEU  13 -18.575   0.258   6.078
   18    HA   LEU  13           HA       LEU  13 -18.490  -1.909   4.204
   19    HB2  LEU  13           HB2      LEU  13 -17.169   0.852   3.911
   20    HB3  LEU  13           HB1      LEU  13 -17.254  -0.395   2.717
   21    HG   LEU  13           HG       LEU  13 -19.700  -0.184   2.611
   22   HD11  LEU  13          HD11      LEU  13 -19.354   2.122   4.525
   23   HD12  LEU  13          HD12      LEU  13 -20.171   0.599   4.873
   24   HD13  LEU  13          HD13      LEU  13 -20.835   1.697   3.665
   25   HD21  LEU  13          HD21      LEU  13 -18.214   1.098   1.146
   26   HD22  LEU  13          HD22      LEU  13 -18.271   2.435   2.299
   27   HD23  LEU  13          HD23      LEU  13 -19.737   1.923   1.468
   28    H    THR  14           HN       THR  14 -16.274  -0.821   6.539
   29    HA   THR  14           HA       THR  14 -14.024  -1.268   5.272
   30    HB   THR  14           HB       THR  14 -12.922  -1.563   7.654
   31    HG1  THR  14           HG1      THR  14 -15.226   0.006   8.169
   32   HG21  THR  14          HG21      THR  14 -12.583   0.128   5.914
   33   HG22  THR  14          HG22      THR  14 -12.705   0.881   7.513
   34   HG23  THR  14          HG23      THR  14 -14.075   0.915   6.388
   35    H    GLU  15           HN       GLU  15 -15.607  -4.071   6.150
   36    HA   GLU  15           HA       GLU  15 -13.524  -5.920   6.178
   37    HB2  GLU  15           HB2      GLU  15 -15.976  -6.088   4.403
   38    HB3  GLU  15           HB1      GLU  15 -14.959  -7.433   4.873
   39    HG2  GLU  15           HG2      GLU  15 -15.668  -7.108   7.209
   40    HG3  GLU  15           HG1      GLU  15 -16.741  -5.810   6.674
   41    H    VAL  16           HN       VAL  16 -14.733  -3.953   3.572
   42    HA   VAL  16           HA       VAL  16 -13.275  -5.042   1.456
   43    HB   VAL  16           HB       VAL  16 -13.795  -3.085   0.177
   44   HG11  VAL  16          HG11      VAL  16 -15.429  -4.910   0.289
   45   HG12  VAL  16          HG12      VAL  16 -16.269  -3.367   0.233
   46   HG13  VAL  16          HG13      VAL  16 -16.107  -4.227   1.767
   47   HG21  VAL  16          HG21      VAL  16 -15.039  -2.237   2.693
   48   HG22  VAL  16          HG22      VAL  16 -15.114  -1.306   1.161
   49   HG23  VAL  16          HG23      VAL  16 -13.546  -1.635   2.022
   50    H    LYS  17           HN       LYS  17 -12.285  -2.883   3.888
   51    HA   LYS  17           HA       LYS  17 -10.569  -1.078   2.808
   52    HB2  LYS  17           HB2      LYS  17 -10.907  -1.126   5.179
   53    HB3  LYS  17           HB1      LYS  17 -10.127  -2.698   5.310
   54    HG2  LYS  17           HG2      LYS  17  -8.045  -1.553   4.379
   55    HG3  LYS  17           HG1      LYS  17  -8.870  -0.036   4.727
   56    HD2  LYS  17           HD2      LYS  17  -8.940  -0.513   7.054
   57    HD3  LYS  17           HD1      LYS  17  -8.434  -2.186   6.792
   58    HE2  LYS  17           HE2      LYS  17  -6.300  -1.293   5.825
   59    HE3  LYS  17           HE1      LYS  17  -6.804   0.308   6.356
   60    HZ1  LYS  17           HZ1      LYS  17  -6.674  -1.921   8.273
   61    HZ2  LYS  17           HZ2      LYS  17  -6.371  -0.252   8.585
   62    HZ3  LYS  17           HZ3      LYS  17  -5.300  -1.230   7.706
   63    H    LYS  18           HN       LYS  18  -9.608  -4.457   3.531
   64    HA   LYS  18           HA       LYS  18  -6.949  -3.820   2.604
   65    HB2  LYS  18           HB2      LYS  18  -7.452  -5.433   4.549
   66    HB3  LYS  18           HB1      LYS  18  -7.844  -6.613   3.309
   67    HG2  LYS  18           HG2      LYS  18  -5.517  -6.830   4.185
   68    HG3  LYS  18           HG1      LYS  18  -5.580  -6.545   2.445
   69    HD2  LYS  18           HD2      LYS  18  -5.083  -4.145   2.824
   70    HD3  LYS  18           HD1      LYS  18  -5.043  -4.429   4.562
   71    HE2  LYS  18           HE2      LYS  18  -3.204  -5.795   2.600
   72    HE3  LYS  18           HE1      LYS  18  -2.837  -4.242   3.317
   73    HZ1  LYS  18           HZ1      LYS  18  -1.830  -6.155   4.511
   74    HZ2  LYS  18           HZ2      LYS  18  -3.388  -6.624   5.019
   75    HZ3  LYS  18           HZ3      LYS  18  -2.756  -5.094   5.430
   76    H    ASP  19           HN       ASP  19  -9.747  -4.805   1.014
   77    HA   ASP  19           HA       ASP  19  -8.448  -6.133  -1.175
   78    HB2  ASP  19           HB2      ASP  19 -10.928  -6.335  -0.635
   79    HB3  ASP  19           HB1      ASP  19 -11.108  -4.672  -1.162
   80    H    ALA  20           HN       ALA  20  -9.438  -2.874  -0.352
   81    HA   ALA  20           HA       ALA  20  -8.875  -1.448  -2.693
   82    HB1  ALA  20           HB1      ALA  20  -8.352   0.478  -1.231
   83    HB2  ALA  20           HB2      ALA  20  -8.381  -0.591   0.159
   84    HB3  ALA  20           HB3      ALA  20  -9.865  -0.319  -0.774
   85    H    LEU  21           HN       LEU  21  -6.783  -2.625  -0.199
   86    HA   LEU  21           HA       LEU  21  -4.445  -1.320  -1.108
   87    HB2  LEU  21           HB2      LEU  21  -4.874  -3.574   0.810
   88    HB3  LEU  21           HB1      LEU  21  -3.261  -3.142   0.311
   89    HG   LEU  21           HG       LEU  21  -3.670  -2.141   2.450
   90   HD11  LEU  21          HD11      LEU  21  -3.947   0.033   0.438
   91   HD12  LEU  21          HD12      LEU  21  -2.449  -0.795   0.801
   92   HD13  LEU  21          HD13      LEU  21  -3.250   0.171   2.052
   93   HD21  LEU  21          HD21      LEU  21  -6.090  -2.106   2.504
   94   HD22  LEU  21          HD22      LEU  21  -6.113  -0.871   1.250
   95   HD23  LEU  21          HD23      LEU  21  -5.453  -0.498   2.843
   96    H    GLU  22           HN       GLU  22  -6.092  -4.114  -2.311
   97    HA   GLU  22           HA       GLU  22  -3.762  -5.148  -3.620
   98    HB2  GLU  22           HB2      GLU  22  -6.682  -5.887  -3.752
   99    HB3  GLU  22           HB1      GLU  22  -5.501  -6.587  -4.852
  100    HG2  GLU  22           HG2      GLU  22  -5.355  -6.746  -1.847
  101    HG3  GLU  22           HG1      GLU  22  -5.987  -8.015  -2.897
  102    H    ASN  23           HN       ASN  23  -6.593  -3.263  -4.518
  103    HA   ASN  23           HA       ASN  23  -5.840  -2.852  -7.223
  104    HB2  ASN  23           HB2      ASN  23  -7.319  -0.939  -5.372
  105    HB3  ASN  23           HB1      ASN  23  -7.196  -0.747  -7.115
  106   HD21  ASN  23          HD21      ASN  23  -9.570  -0.943  -5.533
  107   HD22  ASN  23          HD22      ASN  23 -10.382  -2.398  -6.026
  108    H    LEU  24           HN       LEU  24  -5.013  -1.392  -4.250
  109    HA   LEU  24           HA       LEU  24  -3.449   0.753  -5.177
  110    HB2  LEU  24           HB2      LEU  24  -4.565   0.464  -2.948
  111    HB3  LEU  24           HB1      LEU  24  -3.339  -0.720  -2.576
  112    HG   LEU  24           HG       LEU  24  -2.363   2.018  -3.210
  113   HD11  LEU  24          HD11      LEU  24  -2.904   2.660  -0.835
  114   HD12  LEU  24          HD12      LEU  24  -4.131   1.353  -0.881
  115   HD13  LEU  24          HD13      LEU  24  -4.200   2.664  -2.013
  116   HD21  LEU  24          HD21      LEU  24  -0.848   0.177  -2.551
  117   HD22  LEU  24          HD22      LEU  24  -1.755  -0.015  -1.052
  118   HD23  LEU  24          HD23      LEU  24  -0.860   1.475  -1.357
  119    H    ARG  25           HN       ARG  25  -2.704  -2.668  -4.513
  120    HA   ARG  25           HA       ARG  25   0.109  -2.597  -4.648
  121    HB2  ARG  25           HB2      ARG  25  -1.307  -4.673  -4.088
  122    HB3  ARG  25           HB1      ARG  25  -1.683  -4.801  -5.799
  123    HG2  ARG  25           HG2      ARG  25   0.822  -4.947  -6.194
  124    HG3  ARG  25           HG1      ARG  25   0.986  -5.130  -4.458
  125    HD2  ARG  25           HD2      ARG  25  -0.497  -7.006  -6.347
  126    HD3  ARG  25           HD1      ARG  25   1.068  -7.315  -5.624
  127    HE   ARG  25           HE       ARG  25  -1.460  -7.163  -4.060
  128   HH11  ARG  25          HH11      ARG  25   1.681  -8.921  -4.666
  129   HH12  ARG  25          HH12      ARG  25   1.314 -10.051  -3.437
  130   HH21  ARG  25          HH21      ARG  25  -1.875  -8.911  -2.612
  131   HH22  ARG  25          HH22      ARG  25  -0.636 -10.076  -2.329
  132    H    VAL  26           HN       VAL  26  -2.357  -2.284  -7.029
  133    HA   VAL  26           HA       VAL  26  -0.516  -2.455  -9.250
  134    HB   VAL  26           HB       VAL  26  -3.487  -1.873  -9.285
  135   HG11  VAL  26          HG11      VAL  26  -2.370  -1.051 -11.281
  136   HG12  VAL  26          HG12      VAL  26  -3.367  -2.454 -11.667
  137   HG13  VAL  26          HG13      VAL  26  -1.618  -2.628 -11.531
  138   HG21  VAL  26          HG21      VAL  26  -3.753  -4.216  -9.990
  139   HG22  VAL  26          HG22      VAL  26  -3.041  -4.094  -8.381
  140   HG23  VAL  26          HG23      VAL  26  -2.022  -4.469  -9.769
  141    H    TYR  27           HN       TYR  27  -2.972   0.003  -8.243
  142    HA   TYR  27           HA       TYR  27  -1.965   1.861 -10.120
  143    HB2  TYR  27           HB2      TYR  27  -3.525   3.542  -9.289
  144    HB3  TYR  27           HB1      TYR  27  -4.324   2.002  -9.495
  145    HD1  TYR  27           HD2      TYR  27  -2.703   4.083  -6.677
  146    HD2  TYR  27           HD1      TYR  27  -5.821   1.359  -7.833
  147    HE1  TYR  27           HE2      TYR  27  -3.683   4.262  -4.472
  148    HE2  TYR  27           HE1      TYR  27  -6.802   1.592  -5.592
  149    HH   TYR  27           HH       TYR  27  -6.216   2.226  -3.392
  150    H    LEU  28           HN       LEU  28  -1.270   1.545  -6.735
  151    HA   LEU  28           HA       LEU  28  -0.650   4.253  -6.279
  152    HB2  LEU  28           HB2      LEU  28  -1.406   2.386  -4.761
  153    HB3  LEU  28           HB1      LEU  28   0.257   1.897  -4.659
  154    HG   LEU  28           HG       LEU  28  -0.776   3.290  -2.729
  155   HD11  LEU  28          HD11      LEU  28   1.284   4.422  -2.301
  156   HD12  LEU  28          HD12      LEU  28   1.803   4.072  -3.963
  157   HD13  LEU  28          HD13      LEU  28   1.494   2.748  -2.821
  158   HD21  LEU  28          HD21      LEU  28  -0.634   5.653  -2.942
  159   HD22  LEU  28          HD22      LEU  28  -1.729   5.034  -4.193
  160   HD23  LEU  28          HD23      LEU  28  -0.063   5.497  -4.593
  161    H    CYS  29           HN       CYS  29   1.108   1.807  -7.690
  162    HA   CYS  29           HA       CYS  29   3.805   2.559  -7.284
  163    HB2  CYS  29           HB2      CYS  29   3.126   0.395  -8.213
  164    HB3  CYS  29           HB1      CYS  29   2.460   1.197  -9.624
  165    HG   CYS  29           HG       CYS  29   5.291   2.293  -9.810
  166    H    GLU  30           HN       GLU  30   1.247   4.058  -8.991
  167    HA   GLU  30           HA       GLU  30   2.371   5.374 -11.117
  168    HB2  GLU  30           HB2      GLU  30   0.541   7.020 -10.810
  169    HB3  GLU  30           HB1      GLU  30  -0.033   5.369 -10.643
  170    HG2  GLU  30           HG2      GLU  30   0.168   5.690  -8.130
  171    HG3  GLU  30           HG1      GLU  30   0.429   7.395  -8.458
  172    H    LYS  31           HN       LYS  31   2.421   6.277  -7.710
  173    HA   LYS  31           HA       LYS  31   4.359   8.372  -8.430
  174    HB2  LYS  31           HB2      LYS  31   2.066   9.150  -7.547
  175    HB3  LYS  31           HB1      LYS  31   2.611   8.513  -6.006
  176    HG2  LYS  31           HG2      LYS  31   4.551   9.999  -6.052
  177    HG3  LYS  31           HG1      LYS  31   3.981  10.682  -7.572
  178    HD2  LYS  31           HD2      LYS  31   1.879  11.342  -6.392
  179    HD3  LYS  31           HD1      LYS  31   2.626  10.812  -4.882
  180    HE2  LYS  31           HE2      LYS  31   4.479  12.397  -5.289
  181    HE3  LYS  31           HE1      LYS  31   3.638  12.971  -6.728
  182    HZ1  LYS  31           HZ1      LYS  31   2.881  13.242  -3.902
  183    HZ2  LYS  31           HZ2      LYS  31   1.726  13.434  -5.108
  184    HZ3  LYS  31           HZ3      LYS  31   3.057  14.475  -5.040
  185    H    ILE  32           HN       ILE  32   3.739   5.590  -6.438
  186    HA   ILE  32           HA       ILE  32   5.727   6.455  -4.548
  187    HB   ILE  32           HB       ILE  32   3.678   5.224  -3.693
  188   HG12  ILE  32          HG12      ILE  32   6.296   3.808  -3.043
  189   HG13  ILE  32          HG11      ILE  32   5.811   5.363  -2.355
  190   HG21  ILE  32          HG21      ILE  32   3.496   3.542  -5.431
  191   HG22  ILE  32          HG22      ILE  32   3.674   2.808  -3.833
  192   HG23  ILE  32          HG23      ILE  32   5.049   2.847  -4.941
  193   HD11  ILE  32          HD11      ILE  32   4.304   2.778  -2.082
  194   HD12  ILE  32          HD12      ILE  32   3.916   4.298  -1.277
  195   HD13  ILE  32          HD13      ILE  32   5.404   3.433  -0.869
  196    H    ILE  33           HN       ILE  33   7.722   6.222  -4.922
  197    HA   ILE  33           HA       ILE  33   8.526   3.633  -5.958
  198    HB   ILE  33           HB       ILE  33  10.847   4.606  -6.087
  199   HG12  ILE  33          HG12      ILE  33   9.452   7.245  -5.514
  200   HG13  ILE  33          HG11      ILE  33  10.572   6.429  -4.433
  201   HG21  ILE  33          HG21      ILE  33   9.495   4.475  -8.079
  202   HG22  ILE  33          HG22      ILE  33  10.455   5.955  -8.105
  203   HG23  ILE  33          HG23      ILE  33   8.740   6.025  -7.701
  204   HD11  ILE  33          HD11      ILE  33  12.364   6.738  -6.072
  205   HD12  ILE  33          HD12      ILE  33  11.646   8.274  -5.588
  206   HD13  ILE  33          HD13      ILE  33  11.231   7.559  -7.147
  207    H    ALA  34           HN       ALA  34   9.213   2.182  -4.537
  208    HA   ALA  34           HA       ALA  34   9.254   2.785  -1.721
  209    HB1  ALA  34           HB1      ALA  34   8.423   0.721  -2.615
  210    HB2  ALA  34           HB2      ALA  34   9.830   0.434  -1.542
  211    HB3  ALA  34           HB3      ALA  34  10.025   0.377  -3.295
  212    H    GLU  35           HN       GLU  35  11.207   2.298  -4.303
  213    HA   GLU  35           HA       GLU  35  13.615   1.650  -3.794
  214    HB2  GLU  35           HB2      GLU  35  12.410   2.495  -5.865
  215    HB3  GLU  35           HB1      GLU  35  12.858   4.088  -5.363
  216    HG2  GLU  35           HG2      GLU  35  14.972   2.039  -5.849
  217    HG3  GLU  35           HG1      GLU  35  14.301   2.989  -7.172
  218    H    ARG  36           HN       ARG  36  12.501   5.007  -3.609
  219    HA   ARG  36           HA       ARG  36  14.853   5.832  -2.178
  220    HB2  ARG  36           HB2      ARG  36  13.818   7.026  -4.182
  221    HB3  ARG  36           HB1      ARG  36  12.613   7.625  -3.057
  222    HG2  ARG  36           HG2      ARG  36  14.498   9.192  -3.537
  223    HG3  ARG  36           HG1      ARG  36  14.241   8.835  -1.828
  224    HD2  ARG  36           HD2      ARG  36  16.648   8.830  -2.636
  225    HD3  ARG  36           HD1      ARG  36  16.132   7.426  -1.720
  226    HE   ARG  36           HE       ARG  36  15.769   6.557  -4.253
  227   HH11  ARG  36          HH11      ARG  36  18.507   8.273  -2.859
  228   HH12  ARG  36          HH12      ARG  36  19.678   7.429  -3.779
  229   HH21  ARG  36          HH21      ARG  36  17.285   5.371  -5.430
  230   HH22  ARG  36          HH22      ARG  36  18.938   5.696  -5.332
  231    H    HIS  37           HN       HIS  37  11.905   4.709  -1.318
  232    HA   HIS  37           HA       HIS  37  11.456   6.409   0.992
  233    HB2  HIS  37           HB2      HIS  37   9.949   4.162  -0.236
  234    HB3  HIS  37           HB1      HIS  37   9.766   4.378   1.495
  235    HD1  HIS  37           HD1      HIS  37   8.730   5.783  -1.773
  236    HD2  HIS  37           HD2      HIS  37   8.453   6.790   2.251
  237    HE1  HIS  37           HE1      HIS  37   6.944   7.562  -1.637
  238    HE2  HIS  37           HE2      HIS  37   6.602   7.899   0.826
  239    H    PHE  38           HN       PHE  38  13.553   3.965   0.357
  240    HA   PHE  38           HA       PHE  38  13.532   2.000   2.169
  241    HB2  PHE  38           HB2      PHE  38  15.258   2.068   0.549
  242    HB3  PHE  38           HB1      PHE  38  15.917   3.559   1.206
  243    HD1  PHE  38           HD2      PHE  38  15.202   0.052   2.283
  244    HD2  PHE  38           HD1      PHE  38  17.801   3.412   2.528
  245    HE1  PHE  38           HE2      PHE  38  16.742  -1.242   3.691
  246    HE2  PHE  38           HE1      PHE  38  19.343   2.121   3.942
  247    HZ   PHE  38           HZ       PHE  38  18.814  -0.211   4.524
  248    H    ASP  39           HN       ASP  39  14.942   5.184   3.050
  249    HA   ASP  39           HA       ASP  39  15.793   4.395   5.631
  250    HB2  ASP  39           HB2      ASP  39  16.111   6.779   6.053
  251    HB3  ASP  39           HB1      ASP  39  16.625   6.426   4.407
  252    H    HIS  40           HN       HIS  40  12.924   5.764   4.382
  253    HA   HIS  40           HA       HIS  40  11.620   6.236   6.889
  254    HB2  HIS  40           HB2      HIS  40  10.476   6.262   4.079
  255    HB3  HIS  40           HB1      HIS  40   9.639   6.840   5.518
  256    HD1  HIS  40           HD1      HIS  40  11.908   7.982   2.856
  257    HD2  HIS  40           HD2      HIS  40  11.148   9.087   6.782
  258    HE1  HIS  40           HE1      HIS  40  12.665  10.327   3.031
  259    HE2  HIS  40           HE2      HIS  40  12.872  10.452   5.476
  260    H    LEU  41           HN       LEU  41  11.995   3.588   4.875
  261    HA   LEU  41           HA       LEU  41   9.713   2.165   5.969
  262    HB2  LEU  41           HB2      LEU  41  11.869   1.275   4.098
  263    HB3  LEU  41           HB1      LEU  41  10.417   0.372   4.507
  264    HG   LEU  41           HG       LEU  41  10.377   3.072   3.196
  265   HD11  LEU  41          HD11      LEU  41   9.886   1.868   1.179
  266   HD12  LEU  41          HD12      LEU  41  10.226   0.340   2.064
  267   HD13  LEU  41          HD13      LEU  41  11.493   1.579   1.870
  268   HD21  LEU  41          HD21      LEU  41   8.073   2.470   2.635
  269   HD22  LEU  41          HD22      LEU  41   8.315   2.503   4.378
  270   HD23  LEU  41          HD23      LEU  41   8.245   0.960   3.527
  271    H    ARG  42           HN       ARG  42  13.173   2.346   6.351
  272    HA   ARG  42           HA       ARG  42  13.286   0.195   8.361
  273    HB2  ARG  42           HB2      ARG  42  15.305   2.371   7.570
  274    HB3  ARG  42           HB1      ARG  42  15.567   1.161   8.828
  275    HG2  ARG  42           HG2      ARG  42  15.033   0.678   5.957
  276    HG3  ARG  42           HG1      ARG  42  16.632   0.978   6.634
  277    HD2  ARG  42           HD2      ARG  42  16.591  -1.091   6.605
  278    HD3  ARG  42           HD1      ARG  42  16.009  -0.924   8.253
  279    HE   ARG  42           HE       ARG  42  14.177  -1.444   5.985
  280   HH11  ARG  42          HH11      ARG  42  15.174  -2.248   9.286
  281   HH12  ARG  42          HH12      ARG  42  14.074  -3.545   9.465
  282   HH21  ARG  42          HH21      ARG  42  12.712  -3.299   6.208
  283   HH22  ARG  42          HH22      ARG  42  12.636  -4.151   7.660
  284    H    ALA  43           HN       ALA  43  12.232   3.290   8.154
  285    HA   ALA  43           HA       ALA  43  12.446   4.096  10.859
  286    HB1  ALA  43           HB1      ALA  43  10.688   5.738  10.086
  287    HB2  ALA  43           HB2      ALA  43  10.697   4.822   8.550
  288    HB3  ALA  43           HB3      ALA  43  12.130   5.658   9.049
  289    H    LYS  44           HN       LYS  44   9.828   2.760   8.831
  290    HA   LYS  44           HA       LYS  44   8.121   2.310  11.124
  291    HB2  LYS  44           HB2      LYS  44   7.746   1.691   8.190
  292    HB3  LYS  44           HB1      LYS  44   6.524   1.417   9.420
  293    HG2  LYS  44           HG2      LYS  44   7.714   4.118   8.799
  294    HG3  LYS  44           HG1      LYS  44   6.224   3.508   8.085
  295    HD2  LYS  44           HD2      LYS  44   6.575   3.588  11.044
  296    HD3  LYS  44           HD1      LYS  44   6.050   5.061  10.190
  297    HE2  LYS  44           HE2      LYS  44   4.132   3.627   9.335
  298    HE3  LYS  44           HE1      LYS  44   4.744   2.357  10.403
  299    HZ1  LYS  44           HZ1      LYS  44   4.225   3.630  12.317
  300    HZ2  LYS  44           HZ2      LYS  44   2.878   3.854  11.286
  301    HZ3  LYS  44           HZ3      LYS  44   3.994   5.025  11.407
  302    H    LYS  45           HN       LYS  45  10.321   0.498   9.216
  303    HA   LYS  45           HA       LYS  45  11.183  -1.548   9.349
  304    HB2  LYS  45           HB2      LYS  45  10.088  -1.534  12.152
  305    HB3  LYS  45           HB1      LYS  45  11.335  -2.619  11.537
  306    HG2  LYS  45           HG2      LYS  45  12.792  -0.715  11.081
  307    HG3  LYS  45           HG1      LYS  45  11.516   0.357  11.591
  308    HD2  LYS  45           HD2      LYS  45  11.484  -0.630  13.802
  309    HD3  LYS  45           HD1      LYS  45  12.871  -1.639  13.382
  310    HE2  LYS  45           HE2      LYS  45  13.509   0.423  14.634
  311    HE3  LYS  45           HE1      LYS  45  14.257   0.309  13.042
  312    HZ1  LYS  45           HZ1      LYS  45  11.788   1.904  13.571
  313    HZ2  LYS  45           HZ2      LYS  45  12.723   1.871  12.170
  314    HZ3  LYS  45           HZ3      LYS  45  13.353   2.547  13.572
  315    H    ILE  46           HN       ILE  46   9.395  -1.863   7.814
  316    HA   ILE  46           HA       ILE  46   7.182  -3.402   8.704
  317    HB   ILE  46           HB       ILE  46   7.963  -3.375   5.803
  318   HG12  ILE  46          HG12      ILE  46   6.290  -1.352   5.680
  319   HG13  ILE  46          HG11      ILE  46   6.788  -1.089   7.347
  320   HG21  ILE  46          HG21      ILE  46   5.295  -3.211   7.082
  321   HG22  ILE  46          HG22      ILE  46   6.119  -4.746   6.759
  322   HG23  ILE  46          HG23      ILE  46   5.673  -3.702   5.413
  323   HD11  ILE  46          HD11      ILE  46   8.702  -1.201   5.023
  324   HD12  ILE  46          HD12      ILE  46   9.047  -0.731   6.688
  325   HD13  ILE  46          HD13      ILE  46   7.990   0.264   5.686
  326    H    LEU  47           HN       LEU  47   9.801  -4.077   6.425
  327    HA   LEU  47           HA       LEU  47   9.399  -6.964   6.699
  328    HB2  LEU  47           HB2      LEU  47  11.121  -5.502   4.711
  329    HB3  LEU  47           HB1      LEU  47  10.598  -7.159   4.638
  330    HG   LEU  47           HG       LEU  47   9.454  -6.104   3.006
  331   HD11  LEU  47          HD11      LEU  47   7.545  -6.453   5.265
  332   HD12  LEU  47          HD12      LEU  47   7.877  -7.501   3.848
  333   HD13  LEU  47          HD13      LEU  47   7.050  -6.004   3.639
  334   HD21  LEU  47          HD21      LEU  47   7.992  -3.935   3.771
  335   HD22  LEU  47          HD22      LEU  47   9.557  -3.917   2.981
  336   HD23  LEU  47          HD23      LEU  47   9.482  -3.751   4.724
  337    H    SER  48           HN       SER  48  11.968  -7.723   5.777
  338    HA   SER  48           HA       SER  48  13.391  -7.466   8.261
  339    HB2  SER  48           HB2      SER  48  13.183  -9.660   7.107
  340    HB3  SER  48           HB1      SER  48  14.123  -9.030   5.760
  341    HG   SER  48           HG       SER  48  15.102 -10.275   7.674
  342    H    ARG  49           HN       ARG  49  15.792  -7.164   8.106
  343    HA   ARG  49           HA       ARG  49  16.243  -4.493   7.396
  344    HB2  ARG  49           HB2      ARG  49  18.720  -5.066   7.944
  345    HB3  ARG  49           HB1      ARG  49  17.504  -5.042   9.206
  346    HG2  ARG  49           HG2      ARG  49  17.395  -7.442   9.225
  347    HG3  ARG  49           HG1      ARG  49  18.438  -7.541   7.805
  348    HD2  ARG  49           HD2      ARG  49  19.295  -6.199  10.319
  349    HD3  ARG  49           HD1      ARG  49  19.529  -7.946  10.104
  350    HE   ARG  49           HE       ARG  49  20.509  -6.436   7.892
  351   HH11  ARG  49          HH11      ARG  49  21.482  -7.202  11.203
  352   HH12  ARG  49          HH12      ARG  49  23.150  -7.259  10.846
  353   HH21  ARG  49          HH21      ARG  49  22.672  -6.584   7.365
  354   HH22  ARG  49          HH22      ARG  49  23.882  -6.878   8.527
  355    H    GLU  50           HN       GLU  50  17.873  -7.329   5.924
  356    HA   GLU  50           HA       GLU  50  19.174  -5.699   3.964
  357    HB2  GLU  50           HB2      GLU  50  18.747  -8.689   3.782
  358    HB3  GLU  50           HB1      GLU  50  20.066  -7.747   3.109
  359    HG2  GLU  50           HG2      GLU  50  19.598  -8.434   6.009
  360    HG3  GLU  50           HG1      GLU  50  20.895  -9.002   4.971
  361    H    ASP  51           HN       ASP  51  16.353  -7.482   4.245
  362    HA   ASP  51           HA       ASP  51  15.403  -7.947   1.698
  363    HB2  ASP  51           HB2      ASP  51  14.493  -8.973   3.624
  364    HB3  ASP  51           HB1      ASP  51  14.128  -7.427   4.356
  365    H    THR  52           HN       THR  52  14.473  -5.187   3.828
  366    HA   THR  52           HA       THR  52  13.038  -3.867   1.769
  367    HB   THR  52           HB       THR  52  14.149  -2.495   4.245
  368    HG1  THR  52           HG1      THR  52  12.349  -4.528   3.918
  369   HG21  THR  52          HG21      THR  52  11.987  -1.263   4.130
  370   HG22  THR  52          HG22      THR  52  11.580  -2.139   2.670
  371   HG23  THR  52          HG23      THR  52  12.952  -1.026   2.670
  372    H    ARG  53           HN       ARG  53  16.381  -4.078   2.379
  373    HA   ARG  53           HA       ARG  53  17.187  -1.592   1.118
  374    HB2  ARG  53           HB2      ARG  53  18.724  -2.644   2.690
  375    HB3  ARG  53           HB1      ARG  53  18.718  -4.131   1.749
  376    HG2  ARG  53           HG2      ARG  53  19.593  -2.534  -0.164
  377    HG3  ARG  53           HG1      ARG  53  20.105  -1.547   1.204
  378    HD2  ARG  53           HD2      ARG  53  20.847  -4.446   0.738
  379    HD3  ARG  53           HD1      ARG  53  21.887  -3.059   0.449
  380    HE   ARG  53           HE       ARG  53  21.620  -2.640   2.885
  381   HH11  ARG  53          HH11      ARG  53  21.336  -6.080   1.615
  382   HH12  ARG  53          HH12      ARG  53  21.976  -6.686   3.023
  383   HH21  ARG  53          HH21      ARG  53  22.520  -3.724   4.822
  384   HH22  ARG  53          HH22      ARG  53  22.556  -5.436   4.806
  385    H    GLU  54           HN       GLU  54  17.264  -5.008   0.344
  386    HA   GLU  54           HA       GLU  54  18.239  -4.513  -2.219
  387    HB2  GLU  54           HB2      GLU  54  17.580  -7.030  -0.769
  388    HB3  GLU  54           HB1      GLU  54  18.142  -7.029  -2.449
  389    HG2  GLU  54           HG2      GLU  54  20.152  -5.899  -1.880
  390    HG3  GLU  54           HG1      GLU  54  19.555  -5.558  -0.264
  391    H    ILE  55           HN       ILE  55  15.036  -4.707  -1.123
  392    HA   ILE  55           HA       ILE  55  14.079  -5.272  -3.682
  393    HB   ILE  55           HB       ILE  55  11.888  -4.220  -3.039
  394   HG12  ILE  55          HG12      ILE  55  11.642  -3.900  -0.435
  395   HG13  ILE  55          HG11      ILE  55  13.362  -3.549  -0.507
  396   HG21  ILE  55          HG21      ILE  55  11.184  -5.943  -1.510
  397   HG22  ILE  55          HG22      ILE  55  12.860  -6.278  -1.091
  398   HG23  ILE  55          HG23      ILE  55  12.283  -6.595  -2.725
  399   HD11  ILE  55          HD11      ILE  55  11.189  -2.066  -1.983
  400   HD12  ILE  55          HD12      ILE  55  12.905  -1.684  -2.054
  401   HD13  ILE  55          HD13      ILE  55  12.028  -1.513  -0.540
  402    H    SER  56           HN       SER  56  15.208  -2.315  -2.269
  403    HA   SER  56           HA       SER  56  14.447  -0.722  -4.548
  404    HB2  SER  56           HB2      SER  56  16.122  -0.101  -2.122
  405    HB3  SER  56           HB1      SER  56  15.521   1.078  -3.283
  406    HG   SER  56           HG       SER  56  14.088   1.088  -1.646
  407    H    CYS  57           HN       CYS  57  17.183  -2.532  -3.473
  408    HA   CYS  57           HA       CYS  57  19.032  -0.831  -4.894
  409    HB2  CYS  57           HB2      CYS  57  19.626  -1.488  -2.667
  410    HB3  CYS  57           HB1      CYS  57  19.580  -3.184  -3.116
  411    HG   CYS  57           HG       CYS  57  21.660  -1.552  -5.079
  412    H    ARG  58           HN       ARG  58  18.684  -4.419  -4.980
  413    HA   ARG  58           HA       ARG  58  20.532  -4.249  -7.220
  414    HB2  ARG  58           HB2      ARG  58  20.860  -6.725  -6.873
  415    HB3  ARG  58           HB1      ARG  58  21.362  -5.659  -5.569
  416    HG2  ARG  58           HG2      ARG  58  19.138  -6.158  -4.471
  417    HG3  ARG  58           HG1      ARG  58  18.922  -7.412  -5.687
  418    HD2  ARG  58           HD2      ARG  58  21.256  -7.243  -3.798
  419    HD3  ARG  58           HD1      ARG  58  19.819  -8.211  -3.515
  420    HE   ARG  58           HE       ARG  58  21.082  -8.795  -5.994
  421   HH11  ARG  58          HH11      ARG  58  21.107  -9.413  -2.476
  422   HH12  ARG  58          HH12      ARG  58  21.906 -10.880  -2.548
  423   HH21  ARG  58          HH21      ARG  58  22.227 -10.912  -6.144
  424   HH22  ARG  58          HH22      ARG  58  22.569 -11.772  -4.712
  425    H    THR  59           HN       THR  59  17.798  -6.548  -6.825
  426    HA   THR  59           HA       THR  59  17.774  -6.660  -9.744
  427    HB   THR  59           HB       THR  59  16.498  -8.549  -7.765
  428    HG1  THR  59           HG1      THR  59  18.870  -9.048  -9.215
  429   HG21  THR  59          HG21      THR  59  17.186  -8.836 -10.700
  430   HG22  THR  59          HG22      THR  59  15.573  -8.586 -10.041
  431   HG23  THR  59          HG23      THR  59  16.444 -10.084  -9.686
  432    H    SER  60           HN       SER  60  16.295  -5.255 -10.643
  433    HA   SER  60           HA       SER  60  13.552  -5.515  -9.726
  434    HB2  SER  60           HB2      SER  60  13.412  -3.099  -9.353
  435    HB3  SER  60           HB1      SER  60  14.387  -3.978  -8.166
  436    HG   SER  60           HG       SER  60  15.592  -2.881 -10.454
  437    H    SER  61           HN       SER  61  12.367  -5.564 -11.700
  438    HA   SER  61           HA       SER  61  13.075  -3.536 -13.665
  439    HB2  SER  61           HB2      SER  61  12.340  -5.725 -14.539
  440    HB3  SER  61           HB1      SER  61  10.848  -5.620 -13.612
  441    HG   SER  61           HG       SER  61  11.639  -4.114 -15.870
  442    H    ARG  62           HN       ARG  62   9.859  -4.407 -12.406
  443    HA   ARG  62           HA       ARG  62   9.153  -1.627 -11.811
  444    HB2  ARG  62           HB2      ARG  62   7.490  -3.165 -12.897
  445    HB3  ARG  62           HB1      ARG  62   7.533  -4.187 -11.468
  446    HG2  ARG  62           HG2      ARG  62   6.701  -2.194 -10.151
  447    HG3  ARG  62           HG1      ARG  62   6.452  -1.377 -11.691
  448    HD2  ARG  62           HD2      ARG  62   4.907  -3.154 -12.381
  449    HD3  ARG  62           HD1      ARG  62   5.171  -3.982 -10.847
  450    HE   ARG  62           HE       ARG  62   3.973  -1.301 -11.070
  451   HH11  ARG  62          HH11      ARG  62   4.007  -4.517  -9.507
  452   HH12  ARG  62          HH12      ARG  62   2.660  -4.192  -8.521
  453   HH21  ARG  62          HH21      ARG  62   2.029  -0.930  -9.695
  454   HH22  ARG  62          HH22      ARG  62   1.556  -2.139  -8.618
  455    H    LYS  63           HN       LYS  63  10.534  -4.176 -10.419
  456    HA   LYS  63           HA       LYS  63   9.413  -4.770  -7.982
  457    HB2  LYS  63           HB2      LYS  63  11.512  -5.635  -9.431
  458    HB3  LYS  63           HB1      LYS  63  12.355  -4.878  -8.096
  459    HG2  LYS  63           HG2      LYS  63  10.310  -7.096  -7.876
  460    HG3  LYS  63           HG1      LYS  63  12.053  -7.302  -7.807
  461    HD2  LYS  63           HD2      LYS  63  10.388  -5.718  -5.854
  462    HD3  LYS  63           HD1      LYS  63  11.008  -7.347  -5.582
  463    HE2  LYS  63           HE2      LYS  63  12.660  -4.865  -6.039
  464    HE3  LYS  63           HE1      LYS  63  12.302  -5.594  -4.487
  465    HZ1  LYS  63           HZ1      LYS  63  13.923  -6.807  -6.675
  466    HZ2  LYS  63           HZ2      LYS  63  13.522  -7.593  -5.222
  467    HZ3  LYS  63           HZ3      LYS  63  14.473  -6.203  -5.204
  468    H    ARG  64           HN       ARG  64  11.675  -2.070  -8.635
  469    HA   ARG  64           HA       ARG  64  12.233  -1.510  -5.884
  470    HB2  ARG  64           HB2      ARG  64  12.435   0.312  -8.285
  471    HB3  ARG  64           HB1      ARG  64  13.016   0.701  -6.680
  472    HG2  ARG  64           HG2      ARG  64  14.597  -1.226  -6.861
  473    HG3  ARG  64           HG1      ARG  64  13.996  -1.454  -8.489
  474    HD2  ARG  64           HD2      ARG  64  14.702   0.759  -9.146
  475    HD3  ARG  64           HD1      ARG  64  15.287   1.075  -7.516
  476    HE   ARG  64           HE       ARG  64  16.354  -1.201  -8.934
  477   HH11  ARG  64          HH11      ARG  64  16.873   2.067  -7.565
  478   HH12  ARG  64          HH12      ARG  64  18.520   2.116  -7.852
  479   HH21  ARG  64          HH21      ARG  64  18.690  -1.158  -9.318
  480   HH22  ARG  64          HH22      ARG  64  19.618   0.198  -8.887
  481    H    ALA  65           HN       ALA  65   9.776  -0.477  -8.123
  482    HA   ALA  65           HA       ALA  65   8.912   1.487  -6.216
  483    HB1  ALA  65           HB1      ALA  65   7.417   2.333  -7.941
  484    HB2  ALA  65           HB2      ALA  65   7.845   0.983  -8.990
  485    HB3  ALA  65           HB3      ALA  65   9.065   2.179  -8.552
  486    H    GLY  66           HN       GLY  66   7.239  -0.931  -8.197
  487    HA2  GLY  66           HA2      GLY  66   4.944  -0.728  -6.431
  488    HA3  GLY  66           HA1      GLY  66   4.969  -1.466  -8.011
  489    H    LYS  67           HN       LYS  67   7.459  -3.093  -6.824
  490    HA   LYS  67           HA       LYS  67   5.552  -5.093  -5.988
  491    HB2  LYS  67           HB2      LYS  67   7.480  -5.663  -7.648
  492    HB3  LYS  67           HB1      LYS  67   8.467  -5.827  -6.192
  493    HG2  LYS  67           HG2      LYS  67   6.853  -7.480  -5.306
  494    HG3  LYS  67           HG1      LYS  67   5.927  -7.351  -6.791
  495    HD2  LYS  67           HD2      LYS  67   7.987  -8.155  -8.003
  496    HD3  LYS  67           HD1      LYS  67   8.699  -8.475  -6.420
  497    HE2  LYS  67           HE2      LYS  67   6.156  -9.708  -7.525
  498    HE3  LYS  67           HE1      LYS  67   7.702 -10.520  -7.340
  499    HZ1  LYS  67           HZ1      LYS  67   6.195 -11.125  -5.529
  500    HZ2  LYS  67           HZ2      LYS  67   5.883  -9.571  -5.173
  501    HZ3  LYS  67           HZ3      LYS  67   7.408 -10.178  -4.836
  502    H    LEU  68           HN       LEU  68   7.368  -2.867  -4.427
  503    HA   LEU  68           HA       LEU  68   7.834  -4.113  -1.943
  504    HB2  LEU  68           HB2      LEU  68   8.585  -1.915  -2.213
  505    HB3  LEU  68           HB1      LEU  68   6.998  -1.297  -2.682
  506    HG   LEU  68           HG       LEU  68   6.302  -2.039  -0.298
  507   HD11  LEU  68          HD11      LEU  68   8.284  -3.268   0.156
  508   HD12  LEU  68          HD12      LEU  68   7.842  -2.080   1.352
  509   HD13  LEU  68          HD13      LEU  68   9.214  -1.744   0.242
  510   HD21  LEU  68          HD21      LEU  68   8.103   0.367  -0.548
  511   HD22  LEU  68          HD22      LEU  68   6.896   0.086   0.701
  512   HD23  LEU  68          HD23      LEU  68   6.395   0.319  -0.970
  513    H    LEU  69           HN       LEU  69   5.121  -2.411  -3.278
  514    HA   LEU  69           HA       LEU  69   3.365  -2.455  -1.108
  515    HB2  LEU  69           HB2      LEU  69   2.473  -2.495  -3.967
  516    HB3  LEU  69           HB1      LEU  69   1.787  -1.603  -2.628
  517    HG   LEU  69           HG       LEU  69   4.297  -0.949  -4.193
  518   HD11  LEU  69          HD11      LEU  69   3.201   1.113  -4.608
  519   HD12  LEU  69          HD12      LEU  69   1.810   0.600  -3.663
  520   HD13  LEU  69          HD13      LEU  69   2.216  -0.244  -5.169
  521   HD21  LEU  69          HD21      LEU  69   4.709   0.892  -2.671
  522   HD22  LEU  69          HD22      LEU  69   4.784  -0.623  -1.787
  523   HD23  LEU  69          HD23      LEU  69   3.355   0.402  -1.651
  524    H    ASP  70           HN       ASP  70   4.038  -4.566  -3.646
  525    HA   ASP  70           HA       ASP  70   2.033  -6.493  -3.588
  526    HB2  ASP  70           HB2      ASP  70   3.619  -6.245  -5.373
  527    HB3  ASP  70           HB1      ASP  70   4.953  -6.566  -4.284
  528    H    TYR  71           HN       TYR  71   5.324  -6.832  -2.076
  529    HA   TYR  71           HA       TYR  71   4.214  -9.006  -0.634
  530    HB2  TYR  71           HB2      TYR  71   6.318  -9.296   0.587
  531    HB3  TYR  71           HB1      TYR  71   6.574  -9.392  -1.176
  532    HD1  TYR  71           HD2      TYR  71   7.361  -6.288  -1.557
  533    HD2  TYR  71           HD1      TYR  71   8.100  -9.154   1.567
  534    HE1  TYR  71           HE2      TYR  71   9.333  -5.092  -0.878
  535    HE2  TYR  71           HE1      TYR  71  10.074  -7.933   2.186
  536    HH   TYR  71           HH       TYR  71  11.599  -6.484   1.266
  537    H    LEU  72           HN       LEU  72   4.248  -5.831   0.004
  538    HA   LEU  72           HA       LEU  72   3.977  -6.067   2.865
  539    HB2  LEU  72           HB2      LEU  72   3.880  -3.815   0.960
  540    HB3  LEU  72           HB1      LEU  72   3.218  -3.600   2.570
  541    HG   LEU  72           HG       LEU  72   5.460  -4.380   3.487
  542   HD11  LEU  72          HD11      LEU  72   6.236  -5.611   1.690
  543   HD12  LEU  72          HD12      LEU  72   7.360  -4.277   2.026
  544   HD13  LEU  72          HD13      LEU  72   6.235  -4.183   0.678
  545   HD21  LEU  72          HD21      LEU  72   5.507  -1.982   1.741
  546   HD22  LEU  72          HD22      LEU  72   6.541  -2.320   3.148
  547   HD23  LEU  72          HD23      LEU  72   4.797  -2.093   3.351
  548    H    GLN  73           HN       GLN  73   1.871  -6.496   0.250
  549    HA   GLN  73           HA       GLN  73  -0.562  -5.724   1.602
  550    HB2  GLN  73           HB2      GLN  73   0.087  -6.239  -0.968
  551    HB3  GLN  73           HB1      GLN  73  -0.492  -7.824  -0.509
  552    HG2  GLN  73           HG2      GLN  73  -2.171  -5.267  -0.410
  553    HG3  GLN  73           HG1      GLN  73  -2.263  -6.586  -1.594
  554   HE21  GLN  73          HE21      GLN  73  -3.900  -5.131  -0.102
  555   HE22  GLN  73          HE22      GLN  73  -4.827  -6.152   0.889
  556    H    GLU  74           HN       GLU  74   1.113  -8.672   0.725
  557    HA   GLU  74           HA       GLU  74  -0.575 -10.388   2.243
  558    HB2  GLU  74           HB2      GLU  74   1.042 -12.163   1.334
  559    HB3  GLU  74           HB1      GLU  74   0.057 -11.273   0.184
  560    HG2  GLU  74           HG2      GLU  74   2.098  -9.745  -0.114
  561    HG3  GLU  74           HG1      GLU  74   2.995 -11.001   0.737
  562    H    ASN  75           HN       ASN  75   2.184  -8.684   2.933
  563    HA   ASN  75           HA       ASN  75   2.644 -10.162   5.421
  564    HB2  ASN  75           HB2      ASN  75   4.705  -9.426   4.154
  565    HB3  ASN  75           HB1      ASN  75   4.177  -7.762   4.322
  566   HD21  ASN  75          HD21      ASN  75   6.608  -9.135   5.198
  567   HD22  ASN  75          HD22      ASN  75   6.743  -8.861   6.898
  568    HA   PRO  76           HA       PRO  76  -1.130  -7.846   6.346
  569    HB2  PRO  76           HB2      PRO  76  -0.019  -8.528   9.033
  570    HB3  PRO  76           HB1      PRO  76  -1.711  -8.542   8.481
  571    HG2  PRO  76           HG2      PRO  76  -0.360 -10.787   8.546
  572    HG3  PRO  76           HG1      PRO  76  -1.445 -10.420   7.189
  573    HD2  PRO  76           HD2      PRO  76   1.498 -10.521   7.231
  574    HD3  PRO  76           HD1      PRO  76   0.379 -10.700   5.866
  575    H    LYS  77           HN       LYS  77   1.850  -6.939   8.116
  576    HA   LYS  77           HA       LYS  77   0.727  -4.495   9.169
  577    HB2  LYS  77           HB2      LYS  77   3.614  -5.099   8.641
  578    HB3  LYS  77           HB1      LYS  77   3.005  -3.826   9.670
  579    HG2  LYS  77           HG2      LYS  77   2.148  -5.594  11.213
  580    HG3  LYS  77           HG1      LYS  77   2.941  -6.796  10.186
  581    HD2  LYS  77           HD2      LYS  77   4.311  -4.506  11.635
  582    HD3  LYS  77           HD1      LYS  77   4.405  -6.212  12.070
  583    HE2  LYS  77           HE2      LYS  77   5.555  -6.708   9.966
  584    HE3  LYS  77           HE1      LYS  77   5.379  -5.036   9.451
  585    HZ1  LYS  77           HZ1      LYS  77   7.007  -5.925  11.787
  586    HZ2  LYS  77           HZ2      LYS  77   6.888  -4.335  11.193
  587    HZ3  LYS  77           HZ3      LYS  77   7.581  -5.522  10.254
  588    H    GLY  78           HN       GLY  78   2.241  -5.432   6.199
  589    HA2  GLY  78           HA2      GLY  78   3.866  -3.320   5.655
  590    HA3  GLY  78           HA1      GLY  78   3.176  -4.381   4.444
  591    H    LEU  79           HN       LEU  79   0.905  -3.647   3.855
  592    HA   LEU  79           HA       LEU  79   1.274  -1.002   2.930
  593    HB2  LEU  79           HB2      LEU  79  -0.984  -2.899   2.650
  594    HB3  LEU  79           HB1      LEU  79  -1.042  -1.261   2.024
  595    HG   LEU  79           HG       LEU  79   1.061  -3.274   1.226
  596   HD11  LEU  79          HD11      LEU  79  -1.351  -2.261  -0.153
  597   HD12  LEU  79          HD12      LEU  79  -1.220  -3.834   0.654
  598   HD13  LEU  79          HD13      LEU  79  -0.190  -3.462  -0.773
  599   HD21  LEU  79          HD21      LEU  79   1.703  -0.942   1.015
  600   HD22  LEU  79          HD22      LEU  79   0.218  -0.633   0.098
  601   HD23  LEU  79          HD23      LEU  79   1.457  -1.700  -0.561
  602    H    ASP  80           HN       ASP  80  -0.432  -2.363   5.537
  603    HA   ASP  80           HA       ASP  80  -2.141  -0.217   5.958
  604    HB2  ASP  80           HB2      ASP  80  -1.174  -2.419   7.799
  605    HB3  ASP  80           HB1      ASP  80  -2.362  -1.226   8.307
  606    H    THR  81           HN       THR  81   1.097  -0.900   6.598
  607    HA   THR  81           HA       THR  81   1.648   1.201   8.490
  608    HB   THR  81           HB       THR  81   3.281  -0.859   7.015
  609    HG1  THR  81           HG1      THR  81   2.020  -1.575   8.673
  610   HG21  THR  81          HG21      THR  81   4.729   1.115   7.383
  611   HG22  THR  81          HG22      THR  81   5.198  -0.313   8.292
  612   HG23  THR  81          HG23      THR  81   4.390   1.021   9.122
  613    H    LEU  82           HN       LEU  82   1.898   0.604   5.013
  614    HA   LEU  82           HA       LEU  82   3.697   2.717   4.405
  615    HB2  LEU  82           HB2      LEU  82   1.711   1.436   2.567
  616    HB3  LEU  82           HB1      LEU  82   2.959   2.550   2.076
  617    HG   LEU  82           HG       LEU  82   3.207  -0.313   2.890
  618   HD11  LEU  82          HD11      LEU  82   2.943   0.418   0.549
  619   HD12  LEU  82          HD12      LEU  82   4.423  -0.466   0.887
  620   HD13  LEU  82          HD13      LEU  82   4.466   1.285   0.708
  621   HD21  LEU  82          HD21      LEU  82   5.592  -0.040   3.028
  622   HD22  LEU  82          HD22      LEU  82   4.775   0.824   4.328
  623   HD23  LEU  82          HD23      LEU  82   5.430   1.721   2.934
  624    H    VAL  83           HN       VAL  83   0.245   2.611   4.662
  625    HA   VAL  83           HA       VAL  83  -0.362   4.904   3.229
  626    HB   VAL  83           HB       VAL  83  -2.118   3.400   3.957
  627   HG11  VAL  83          HG11      VAL  83  -2.914   3.346   6.273
  628   HG12  VAL  83          HG12      VAL  83  -1.551   4.371   6.744
  629   HG13  VAL  83          HG13      VAL  83  -1.259   2.753   6.103
  630   HG21  VAL  83          HG21      VAL  83  -2.460   6.153   5.119
  631   HG22  VAL  83          HG22      VAL  83  -3.790   5.039   4.778
  632   HG23  VAL  83          HG23      VAL  83  -2.808   5.679   3.455
  633    H    GLU  84           HN       GLU  84   1.046   4.664   6.393
  634    HA   GLU  84           HA       GLU  84   0.459   7.355   7.044
  635    HB2  GLU  84           HB2      GLU  84   2.526   5.539   8.259
  636    HB3  GLU  84           HB1      GLU  84   2.008   7.082   8.919
  637    HG2  GLU  84           HG2      GLU  84  -0.343   6.048   8.903
  638    HG3  GLU  84           HG1      GLU  84   0.511   4.509   8.758
  639    H    SER  85           HN       SER  85   2.951   5.768   5.273
  640    HA   SER  85           HA       SER  85   4.754   8.022   5.383
  641    HB2  SER  85           HB2      SER  85   5.551   5.605   5.239
  642    HB3  SER  85           HB1      SER  85   4.918   5.567   3.595
  643    HG   SER  85           HG       SER  85   6.756   7.471   4.517
  644    H    ILE  86           HN       ILE  86   2.191   6.754   3.448
  645    HA   ILE  86           HA       ILE  86   2.672   8.430   1.162
  646    HB   ILE  86           HB       ILE  86   0.095   7.001   1.941
  647   HG12  ILE  86          HG12      ILE  86   2.297   6.077   0.077
  648   HG13  ILE  86          HG11      ILE  86   1.980   5.421   1.680
  649   HG21  ILE  86          HG21      ILE  86  -0.487   7.199  -0.442
  650   HG22  ILE  86          HG22      ILE  86   1.013   8.076  -0.734
  651   HG23  ILE  86          HG23      ILE  86  -0.231   8.786   0.291
  652   HD11  ILE  86          HD11      ILE  86   0.095   5.323  -0.669
  653   HD12  ILE  86          HD12      ILE  86  -0.204   4.630   0.932
  654   HD13  ILE  86          HD13      ILE  86   1.092   3.990  -0.084
  655    H    ARG  87           HN       ARG  87   0.861   8.572   4.121
  656    HA   ARG  87           HA       ARG  87  -1.001  10.558   3.867
  657    HB2  ARG  87           HB2      ARG  87  -0.637   9.286   5.913
  658    HB3  ARG  87           HB1      ARG  87   0.902  10.082   6.170
  659    HG2  ARG  87           HG2      ARG  87  -0.337  12.234   6.443
  660    HG3  ARG  87           HG1      ARG  87  -1.840  11.317   6.352
  661    HD2  ARG  87           HD2      ARG  87   0.351  10.867   8.385
  662    HD3  ARG  87           HD1      ARG  87  -1.124  11.776   8.686
  663    HE   ARG  87           HE       ARG  87  -2.231   9.549   8.039
  664   HH11  ARG  87          HH11      ARG  87   0.845   9.758   9.889
  665   HH12  ARG  87          HH12      ARG  87   0.514   8.288  10.723
  666   HH21  ARG  87          HH21      ARG  87  -2.563   7.523   9.384
  667   HH22  ARG  87          HH22      ARG  87  -1.291   7.124  10.460
  668    H    ARG  88           HN       ARG  88   2.480  11.007   3.971
  669    HA   ARG  88           HA       ARG  88   2.588  13.782   4.584
  670    HB2  ARG  88           HB2      ARG  88   4.495  12.095   4.741
  671    HB3  ARG  88           HB1      ARG  88   4.623  12.184   2.999
  672    HG2  ARG  88           HG2      ARG  88   4.782  14.822   4.234
  673    HG3  ARG  88           HG1      ARG  88   6.006  13.726   4.858
  674    HD2  ARG  88           HD2      ARG  88   6.976  14.874   3.005
  675    HD3  ARG  88           HD1      ARG  88   6.639  13.237   2.462
  676    HE   ARG  88           HE       ARG  88   4.950  15.558   1.843
  677   HH11  ARG  88          HH11      ARG  88   6.459  12.506   0.813
  678   HH12  ARG  88          HH12      ARG  88   5.670  12.515  -0.706
  679   HH21  ARG  88          HH21      ARG  88   4.021  15.578  -0.316
  680   HH22  ARG  88          HH22      ARG  88   4.317  14.250  -1.354
  681    H    GLU  89           HN       GLU  89   1.875  12.022   1.704
  682    HA   GLU  89           HA       GLU  89   2.462  13.941  -0.235
  683    HB2  GLU  89           HB2      GLU  89   0.492  11.648  -0.346
  684    HB3  GLU  89           HB1      GLU  89   0.865  12.684  -1.710
  685    HG2  GLU  89           HG2      GLU  89   2.794  10.872  -0.264
  686    HG3  GLU  89           HG1      GLU  89   2.064  10.577  -1.840
  687    H    LYS  90           HN       LYS  90   0.102  13.971   2.103
  688    HA   LYS  90           HA       LYS  90  -2.267  14.867   1.325
  689    HB2  LYS  90           HB2      LYS  90  -1.704  14.727   3.650
  690    HB3  LYS  90           HB1      LYS  90  -0.601  16.084   3.521
  691    HG2  LYS  90           HG2      LYS  90  -2.604  16.821   4.616
  692    HG3  LYS  90           HG1      LYS  90  -2.535  17.555   3.017
  693    HD2  LYS  90           HD2      LYS  90  -4.034  15.602   2.262
  694    HD3  LYS  90           HD1      LYS  90  -4.291  15.307   3.979
  695    HE2  LYS  90           HE2      LYS  90  -6.087  16.690   3.183
  696    HE3  LYS  90           HE1      LYS  90  -5.048  17.672   4.214
  697    HZ1  LYS  90           HZ1      LYS  90  -5.176  17.687   1.242
  698    HZ2  LYS  90           HZ2      LYS  90  -3.942  18.425   2.068
  699    HZ3  LYS  90           HZ3      LYS  90  -5.541  18.967   2.277
  700    H    THR  91           HN       THR  91   0.584  16.987   0.901
  701    HA   THR  91           HA       THR  91  -0.694  19.406   0.328
  702    HB   THR  91           HB       THR  91   1.737  18.393  -1.150
  703    HG1  THR  91           HG1      THR  91   2.094  19.579   1.350
  704   HG21  THR  91          HG21      THR  91   2.488  20.718  -0.839
  705   HG22  THR  91          HG22      THR  91   1.022  21.074   0.073
  706   HG23  THR  91          HG23      THR  91   0.916  20.670  -1.640
  707    H    GLN  92           HN       GLN  92  -0.040  16.552  -1.567
  708    HA   GLN  92           HA       GLN  92  -1.599  17.510  -3.868
  709    HB2  GLN  92           HB2      GLN  92   0.737  15.565  -3.867
  710    HB3  GLN  92           HB1      GLN  92  -0.088  16.214  -5.278
  711    HG2  GLN  92           HG2      GLN  92   0.750  18.447  -4.743
  712    HG3  GLN  92           HG1      GLN  92   1.574  17.799  -3.330
  713   HE21  GLN  92          HE21      GLN  92   2.680  19.189  -5.515
  714   HE22  GLN  92          HE22      GLN  92   3.834  18.153  -6.278
  715    H    ASN  93           HN       ASN  93  -2.830  16.574  -1.894
  716    HA   ASN  93           HA       ASN  93  -2.931  13.995  -1.061
  717    HB2  ASN  93           HB2      ASN  93  -5.275  14.402  -0.260
  718    HB3  ASN  93           HB1      ASN  93  -4.037  15.544   0.290
  719   HD21  ASN  93          HD21      ASN  93  -5.904  15.411  -2.763
  720   HD22  ASN  93          HD22      ASN  93  -6.706  16.893  -2.432
  721    H    PHE  94           HN       PHE  94  -3.633  14.528  -4.148
  722    HA   PHE  94           HA       PHE  94  -5.859  13.195  -4.950
  723    HB2  PHE  94           HB2      PHE  94  -4.282  14.211  -6.494
  724    HB3  PHE  94           HB1      PHE  94  -3.077  12.995  -6.112
  725    HD1  PHE  94           HD2      PHE  94  -6.514  13.341  -7.509
  726    HD2  PHE  94           HD1      PHE  94  -2.871  11.138  -7.479
  727    HE1  PHE  94           HE2      PHE  94  -7.330  11.969  -9.384
  728    HE2  PHE  94           HE1      PHE  94  -3.679   9.768  -9.351
  729    HZ   PHE  94           HZ       PHE  94  -5.909  10.181 -10.307
  730    H    LEU  95           HN       LEU  95  -2.823  11.556  -3.948
  731    HA   LEU  95           HA       LEU  95  -3.882   8.933  -4.381
  732    HB2  LEU  95           HB2      LEU  95  -1.514   9.835  -2.776
  733    HB3  LEU  95           HB1      LEU  95  -1.982   8.163  -2.921
  734    HG   LEU  95           HG       LEU  95  -1.065   9.931  -5.198
  735   HD11  LEU  95          HD11      LEU  95   0.072   7.484  -3.897
  736   HD12  LEU  95          HD12      LEU  95   0.762   9.118  -3.769
  737   HD13  LEU  95          HD13      LEU  95   0.718   8.257  -5.326
  738   HD21  LEU  95          HD21      LEU  95  -1.987   7.082  -5.154
  739   HD22  LEU  95          HD22      LEU  95  -1.209   7.877  -6.521
  740   HD23  LEU  95          HD23      LEU  95  -2.805   8.418  -5.985
  741    H    ILE  96           HN       ILE  96  -3.664  10.989  -1.592
  742    HA   ILE  96           HA       ILE  96  -4.337   9.064   0.391
  743    HB   ILE  96           HB       ILE  96  -5.117  11.982   0.653
  744   HG12  ILE  96          HG12      ILE  96  -2.879  12.030  -0.376
  745   HG13  ILE  96          HG11      ILE  96  -2.808  12.571   1.303
  746   HG21  ILE  96          HG21      ILE  96  -3.770  10.131   2.631
  747   HG22  ILE  96          HG22      ILE  96  -5.523  10.328   2.512
  748   HG23  ILE  96          HG23      ILE  96  -4.504  11.696   2.967
  749   HD11  ILE  96          HD11      ILE  96  -2.030  10.264   1.873
  750   HD12  ILE  96          HD12      ILE  96  -0.954  11.229   0.874
  751   HD13  ILE  96          HD13      ILE  96  -1.939   9.963   0.126
  752    H    GLN  97           HN       GLN  97  -6.092  11.313  -1.585
  753    HA   GLN  97           HA       GLN  97  -8.703  10.906  -0.619
  754    HB2  GLN  97           HB2      GLN  97  -7.947  12.815  -2.023
  755    HB3  GLN  97           HB1      GLN  97  -7.794  11.715  -3.382
  756    HG2  GLN  97           HG2      GLN  97 -10.211  11.254  -3.238
  757    HG3  GLN  97           HG1      GLN  97 -10.333  12.446  -1.943
  758   HE21  GLN  97          HE21      GLN  97  -9.891  11.944  -5.331
  759   HE22  GLN  97          HE22      GLN  97 -10.069  13.607  -5.783
  760    H    LYS  98           HN       LYS  98  -6.812   9.422  -3.226
  761    HA   LYS  98           HA       LYS  98  -8.869   7.857  -4.332
  762    HB2  LYS  98           HB2      LYS  98  -6.654   8.414  -5.412
  763    HB3  LYS  98           HB1      LYS  98  -5.914   7.208  -4.370
  764    HG2  LYS  98           HG2      LYS  98  -7.380   5.487  -5.369
  765    HG3  LYS  98           HG1      LYS  98  -8.036   6.708  -6.455
  766    HD2  LYS  98           HD2      LYS  98  -5.170   5.741  -6.333
  767    HD3  LYS  98           HD1      LYS  98  -6.342   5.386  -7.594
  768    HE2  LYS  98           HE2      LYS  98  -6.421   7.816  -8.129
  769    HE3  LYS  98           HE1      LYS  98  -5.152   8.082  -6.935
  770    HZ1  LYS  98           HZ1      LYS  98  -4.889   6.524  -9.478
  771    HZ2  LYS  98           HZ2      LYS  98  -3.768   6.463  -8.265
  772    HZ3  LYS  98           HZ3      LYS  98  -3.977   7.862  -9.015
  773    H    ILE  99           HN       ILE  99  -6.414   7.121  -1.879
  774    HA   ILE  99           HA       ILE  99  -7.023   4.419  -1.455
  775    HB   ILE  99           HB       ILE  99  -6.052   6.439   0.606
  776   HG12  ILE  99          HG12      ILE  99  -4.456   4.568  -1.164
  777   HG13  ILE  99          HG11      ILE  99  -4.624   6.297  -1.423
  778   HG21  ILE  99          HG21      ILE  99  -5.123   4.493   1.798
  779   HG22  ILE  99          HG22      ILE  99  -5.856   3.420   0.607
  780   HG23  ILE  99          HG23      ILE  99  -6.879   4.394   1.661
  781   HD11  ILE  99          HD11      ILE  99  -2.489   5.751  -0.400
  782   HD12  ILE  99          HD12      ILE  99  -3.318   4.986   0.956
  783   HD13  ILE  99          HD13      ILE  99  -3.476   6.723   0.690
  784    H    THR 100           HN       THR 100  -8.361   7.348  -0.043
  785    HA   THR 100           HA       THR 100 -10.109   6.120   1.813
  786    HB   THR 100           HB       THR 100 -10.357   8.850   0.508
  787    HG1  THR 100           HG1      THR 100  -8.303   8.724   1.481
  788   HG21  THR 100          HG21      THR 100 -11.502   9.466   2.604
  789   HG22  THR 100          HG22      THR 100 -11.335   7.808   3.183
  790   HG23  THR 100          HG23      THR 100 -12.350   8.154   1.783
  791    H    ASP 101           HN       ASP 101 -10.524   7.416  -1.466
  792    HA   ASP 101           HA       ASP 101 -13.222   7.009  -1.900
  793    HB2  ASP 101           HB2      ASP 101 -11.953   8.270  -3.491
  794    HB3  ASP 101           HB1      ASP 101 -10.865   6.921  -3.783
  795    H    GLU 102           HN       GLU 102 -10.535   4.818  -2.611
  796    HA   GLU 102           HA       GLU 102 -11.822   2.632  -3.618
  797    HB2  GLU 102           HB2      GLU 102  -9.506   2.721  -1.695
  798    HB3  GLU 102           HB1      GLU 102 -10.048   1.254  -2.488
  799    HG2  GLU 102           HG2      GLU 102  -9.054   3.715  -3.907
  800    HG3  GLU 102           HG1      GLU 102  -8.084   2.291  -3.548
  801    H    VAL 103           HN       VAL 103 -11.292   3.250  -0.160
  802    HA   VAL 103           HA       VAL 103 -12.447   0.901   0.804
  803    HB   VAL 103           HB       VAL 103 -12.363   3.594   2.204
  804   HG11  VAL 103          HG11      VAL 103 -12.723   0.833   3.376
  805   HG12  VAL 103          HG12      VAL 103 -13.956   2.089   3.285
  806   HG13  VAL 103          HG13      VAL 103 -12.530   2.327   4.295
  807   HG21  VAL 103          HG21      VAL 103 -10.153   2.822   1.532
  808   HG22  VAL 103          HG22      VAL 103 -10.452   1.262   2.301
  809   HG23  VAL 103          HG23      VAL 103 -10.341   2.719   3.284
  810    H    LEU 104           HN       LEU 104 -14.036   3.971   0.105
  811    HA   LEU 104           HA       LEU 104 -16.567   2.952   1.044
  812    HB2  LEU 104           HB2      LEU 104 -15.836   5.550  -0.308
  813    HB3  LEU 104           HB1      LEU 104 -17.496   5.111  -0.000
  814    HG   LEU 104           HG       LEU 104 -16.787   6.664   1.666
  815   HD11  LEU 104          HD11      LEU 104 -18.289   4.937   2.421
  816   HD12  LEU 104          HD12      LEU 104 -17.222   5.487   3.709
  817   HD13  LEU 104          HD13      LEU 104 -16.913   3.945   2.920
  818   HD21  LEU 104          HD21      LEU 104 -14.373   6.359   1.570
  819   HD22  LEU 104          HD22      LEU 104 -14.527   4.776   2.330
  820   HD23  LEU 104          HD23      LEU 104 -14.945   6.232   3.234
  821    H    LYS 105           HN       LYS 105 -14.926   3.211  -1.980
  822    HA   LYS 105           HA       LYS 105 -17.193   2.873  -3.702
  823    HB2  LYS 105           HB2      LYS 105 -15.157   4.093  -4.308
  824    HB3  LYS 105           HB1      LYS 105 -14.255   2.598  -4.142
  825    HG2  LYS 105           HG2      LYS 105 -15.326   1.675  -6.092
  826    HG3  LYS 105           HG1      LYS 105 -16.401   3.077  -6.206
  827    HD2  LYS 105           HD2      LYS 105 -14.531   3.277  -7.788
  828    HD3  LYS 105           HD1      LYS 105 -14.471   4.544  -6.562
  829    HE2  LYS 105           HE2      LYS 105 -12.842   3.086  -5.293
  830    HE3  LYS 105           HE1      LYS 105 -12.792   2.039  -6.711
  831    HZ1  LYS 105           HZ1      LYS 105 -11.957   3.998  -7.966
  832    HZ2  LYS 105           HZ2      LYS 105 -10.997   3.547  -6.630
  833    HZ3  LYS 105           HZ3      LYS 105 -12.019   4.869  -6.496
  834    H    LEU 106           HN       LEU 106 -14.694   0.768  -2.396
  835    HA   LEU 106           HA       LEU 106 -15.291  -1.636  -3.757
  836    HB2  LEU 106           HB2      LEU 106 -13.872  -1.024  -1.204
  837    HB3  LEU 106           HB1      LEU 106 -14.414  -2.658  -1.542
  838    HG   LEU 106           HG       LEU 106 -12.064  -2.401  -2.110
  839   HD11  LEU 106          HD11      LEU 106 -12.109  -3.245  -4.373
  840   HD12  LEU 106          HD12      LEU 106 -13.795  -2.757  -4.528
  841   HD13  LEU 106          HD13      LEU 106 -13.326  -3.977  -3.335
  842   HD21  LEU 106          HD21      LEU 106 -12.008  -0.047  -2.689
  843   HD22  LEU 106          HD22      LEU 106 -12.946  -0.376  -4.152
  844   HD23  LEU 106          HD23      LEU 106 -11.320  -1.046  -3.970
  845    H    ARG 107           HN       ARG 107 -17.323  -0.059  -1.711
  846    HA   ARG 107           HA       ARG 107 -18.621  -1.810  -0.124
  847    HB2  ARG 107           HB2      ARG 107 -20.707  -0.593  -0.477
  848    HB3  ARG 107           HB1      ARG 107 -19.348   0.515  -0.424
  849    HG2  ARG 107           HG2      ARG 107 -19.387   0.676  -2.871
  850    HG3  ARG 107           HG1      ARG 107 -20.760  -0.427  -2.915
  851    HD2  ARG 107           HD2      ARG 107 -21.568   1.834  -3.109
  852    HD3  ARG 107           HD1      ARG 107 -22.040   1.195  -1.536
  853    HE   ARG 107           HE       ARG 107 -19.559   2.554  -1.426
  854   HH11  ARG 107          HH11      ARG 107 -23.053   3.130  -1.460
  855   HH12  ARG 107          HH12      ARG 107 -22.983   4.661  -0.726
  856   HH21  ARG 107          HH21      ARG 107 -19.418   4.648  -0.442
  857   HH22  ARG 107          HH22      ARG 107 -20.815   5.570  -0.117
  858    H    ASN 108           HN       ASN 108 -18.837  -1.870  -3.669
  859    HA   ASN 108           HA       ASN 108 -21.009  -3.692  -3.923
  860    HB2  ASN 108           HB2      ASN 108 -20.426  -2.458  -5.883
  861    HB3  ASN 108           HB1      ASN 108 -18.747  -2.975  -5.800
  862   HD21  ASN 108          HD21      ASN 108 -22.025  -3.965  -6.636
  863   HD22  ASN 108          HD22      ASN 108 -21.525  -5.343  -7.548
  864    H    ILE 109           HN       ILE 109 -17.656  -4.097  -3.349
  865    HA   ILE 109           HA       ILE 109 -17.530  -6.871  -3.832
  866    HB   ILE 109           HB       ILE 109 -15.727  -4.835  -2.549
  867   HG12  ILE 109          HG12      ILE 109 -15.889  -4.695  -4.944
  868   HG13  ILE 109          HG11      ILE 109 -14.290  -5.275  -4.505
  869   HG21  ILE 109          HG21      ILE 109 -13.945  -6.394  -2.414
  870   HG22  ILE 109          HG22      ILE 109 -15.024  -7.736  -2.848
  871   HG23  ILE 109          HG23      ILE 109 -15.261  -6.841  -1.329
  872   HD11  ILE 109          HD11      ILE 109 -16.563  -6.936  -5.587
  873   HD12  ILE 109          HD12      ILE 109 -15.004  -7.566  -5.065
  874   HD13  ILE 109          HD13      ILE 109 -15.090  -6.458  -6.431
  875    H    LYS 110           HN       LYS 110 -18.416  -4.889  -1.106
  876    HA   LYS 110           HA       LYS 110 -18.384  -7.108   0.707
  877    HB2  LYS 110           HB2      LYS 110 -18.234  -4.797   1.612
  878    HB3  LYS 110           HB1      LYS 110 -19.861  -4.469   1.022
  879    HG2  LYS 110           HG2      LYS 110 -20.761  -6.199   2.477
  880    HG3  LYS 110           HG1      LYS 110 -19.145  -6.577   3.050
  881    HD2  LYS 110           HD2      LYS 110 -18.980  -4.360   4.050
  882    HD3  LYS 110           HD1      LYS 110 -20.586  -3.954   3.429
  883    HE2  LYS 110           HE2      LYS 110 -21.580  -5.745   4.734
  884    HE3  LYS 110           HE1      LYS 110 -19.991  -6.244   5.303
  885    HZ1  LYS 110           HZ1      LYS 110 -21.164  -4.869   6.968
  886    HZ2  LYS 110           HZ2      LYS 110 -21.288  -3.633   5.868
  887    HZ3  LYS 110           HZ3      LYS 110 -19.790  -4.083   6.406
  888    H    LEU 111           HN       LEU 111 -20.557  -5.911  -1.660
  889    HA   LEU 111           HA       LEU 111 -22.917  -7.221  -0.696
  890    HB2  LEU 111           HB2      LEU 111 -22.197  -6.432  -3.528
  891    HB3  LEU 111           HB1      LEU 111 -23.789  -6.901  -2.973
  892    HG   LEU 111           HG       LEU 111 -22.295  -4.407  -2.155
  893   HD11  LEU 111          HD11      LEU 111 -24.018  -3.233  -3.419
  894   HD12  LEU 111          HD12      LEU 111 -24.713  -4.776  -3.911
  895   HD13  LEU 111          HD13      LEU 111 -23.097  -4.327  -4.452
  896   HD21  LEU 111          HD21      LEU 111 -24.399  -3.769  -1.052
  897   HD22  LEU 111          HD22      LEU 111 -23.701  -5.218  -0.338
  898   HD23  LEU 111          HD23      LEU 111 -25.074  -5.352  -1.438
  899    H    GLU 112           HN       GLU 112 -20.534  -8.074  -3.216
  900    HA   GLU 112           HA       GLU 112 -21.618 -10.716  -3.392
  901    HB2  GLU 112           HB2      GLU 112 -19.017  -9.655  -4.514
  902    HB3  GLU 112           HB1      GLU 112 -19.725 -11.217  -4.900
  903    HG2  GLU 112           HG2      GLU 112 -20.740  -8.484  -5.619
  904    HG3  GLU 112           HG1      GLU 112 -20.279  -9.803  -6.695
  905    H    HIS 113           HN       HIS 113 -19.994  -9.393  -1.063
  906    HA   HIS 113           HA       HIS 113 -18.318 -11.578  -0.210
  907    HB2  HIS 113           HB2      HIS 113 -17.737  -9.324   0.499
  908    HB3  HIS 113           HB1      HIS 113 -19.334  -9.079   1.170
  909    HD1  HIS 113           HD1      HIS 113 -16.031 -10.697   1.899
  910    HD2  HIS 113           HD2      HIS 113 -19.654  -9.977   3.791
  911    HE1  HIS 113           HE1      HIS 113 -15.628 -11.144   4.337
  912    HE2  HIS 113           HE2      HIS 113 -17.629 -10.081   5.350
  913    H    LEU 114           HN       LEU 114 -21.628 -10.781  -0.208
  914    HA   LEU 114           HA       LEU 114 -22.204 -13.106   1.365
  915    HB2  LEU 114           HB2      LEU 114 -23.971 -11.916   2.671
  916    HB3  LEU 114           HB1      LEU 114 -22.351 -11.427   3.058
  917    HG   LEU 114           HG       LEU 114 -22.740  -9.346   1.677
  918   HD11  LEU 114          HD11      LEU 114 -24.463  -9.617   0.266
  919   HD12  LEU 114          HD12      LEU 114 -25.351  -8.824   1.582
  920   HD13  LEU 114          HD13      LEU 114 -25.402 -10.595   1.368
  921   HD21  LEU 114          HD21      LEU 114 -22.830  -9.307   4.093
  922   HD22  LEU 114          HD22      LEU 114 -24.522  -9.803   4.059
  923   HD23  LEU 114          HD23      LEU 114 -24.051  -8.228   3.418
  924    H    LYS 115           HN       LYS 115 -24.954 -12.660   1.411
  925    HA   LYS 115           HA       LYS 115 -26.570 -13.401   0.553
  926    HB2  LYS 115           HB2      LYS 115 -27.998 -12.088  -0.825
  927    HB3  LYS 115           HB1      LYS 115 -26.885 -10.956  -0.105
  928    HG2  LYS 115           HG2      LYS 115 -26.565 -12.026  -2.896
  929    HG3  LYS 115           HG1      LYS 115 -27.525 -10.602  -2.521
  930    HD2  LYS 115           HD2      LYS 115 -25.692  -9.338  -2.077
  931    HD3  LYS 115           HD1      LYS 115 -24.758 -10.728  -1.508
  932    HE2  LYS 115           HE2      LYS 115 -25.527 -10.343  -4.379
  933    HE3  LYS 115           HE1      LYS 115 -24.018  -9.736  -3.697
  934    HZ1  LYS 115           HZ1      LYS 115 -23.478 -11.968  -3.023
  935    HZ2  LYS 115           HZ2      LYS 115 -23.615 -11.856  -4.689
  936    HZ3  LYS 115           HZ3      LYS 115 -24.848 -12.614  -3.725
  Start of MODEL    4
    1    H    GLU  10           HT1      GLU  10 -18.164   1.103  10.758
    2    HA   GLU  10           HA       GLU  10 -17.628   1.767   8.527
    3    HB2  GLU  10           HB2      GLU  10 -14.778   1.933   9.342
    4    HB3  GLU  10           HB1      GLU  10 -15.470   2.334   7.796
    5    HG2  GLU  10           HG2      GLU  10 -15.729   3.908  10.338
    6    HG3  GLU  10           HG1      GLU  10 -15.134   4.444   8.761
    7    H    GLU  11           HN       GLU  11 -16.682  -0.373  10.783
    8    HA   GLU  11           HA       GLU  11 -15.063  -2.300   9.988
    9    HB2  GLU  11           HB2      GLU  11 -17.832  -2.905  11.071
   10    HB3  GLU  11           HB1      GLU  11 -16.390  -3.876  11.270
   11    HG2  GLU  11           HG2      GLU  11 -16.935  -2.737  13.356
   12    HG3  GLU  11           HG1      GLU  11 -15.419  -2.105  12.718
   13    H    ASP  12           HN       ASP  12 -18.527  -2.475   9.195
   14    HA   ASP  12           HA       ASP  12 -18.458  -4.647   7.416
   15    HB2  ASP  12           HB2      ASP  12 -20.532  -3.954   8.429
   16    HB3  ASP  12           HB1      ASP  12 -20.432  -2.369   7.681
   17    H    LEU  13           HN       LEU  13 -17.615  -1.408   6.861
   18    HA   LEU  13           HA       LEU  13 -17.835  -1.611   3.963
   19    HB2  LEU  13           HB2      LEU  13 -16.974   0.723   5.673
   20    HB3  LEU  13           HB1      LEU  13 -17.133   0.737   3.934
   21    HG   LEU  13           HG       LEU  13 -19.598   0.233   4.314
   22   HD11  LEU  13          HD11      LEU  13 -19.484  -0.443   6.654
   23   HD12  LEU  13          HD12      LEU  13 -20.552   0.943   6.448
   24   HD13  LEU  13          HD13      LEU  13 -18.932   1.172   7.105
   25   HD21  LEU  13          HD21      LEU  13 -18.505   2.881   5.247
   26   HD22  LEU  13          HD22      LEU  13 -20.140   2.581   4.660
   27   HD23  LEU  13          HD23      LEU  13 -18.765   2.397   3.571
   28    H    THR  14           HN       THR  14 -15.557  -2.409   6.298
   29    HA   THR  14           HA       THR  14 -13.512  -1.333   4.605
   30    HB   THR  14           HB       THR  14 -12.749  -2.445   7.274
   31    HG1  THR  14           HG1      THR  14 -14.585  -0.631   6.973
   32   HG21  THR  14          HG21      THR  14 -10.976  -0.813   6.932
   33   HG22  THR  14          HG22      THR  14 -11.882  -0.205   5.520
   34   HG23  THR  14          HG23      THR  14 -11.185  -1.797   5.442
   35    H    GLU  15           HN       GLU  15 -14.610  -4.634   5.309
   36    HA   GLU  15           HA       GLU  15 -12.150  -5.950   4.976
   37    HB2  GLU  15           HB2      GLU  15 -14.785  -7.062   3.968
   38    HB3  GLU  15           HB1      GLU  15 -13.363  -7.979   4.429
   39    HG2  GLU  15           HG2      GLU  15 -14.575  -8.289   6.315
   40    HG3  GLU  15           HG1      GLU  15 -13.840  -6.746   6.755
   41    H    VAL  16           HN       VAL  16 -14.179  -4.573   2.706
   42    HA   VAL  16           HA       VAL  16 -13.381  -5.589   0.285
   43    HB   VAL  16           HB       VAL  16 -14.080  -3.397  -0.682
   44   HG11  VAL  16          HG11      VAL  16 -15.915  -4.698   1.344
   45   HG12  VAL  16          HG12      VAL  16 -15.666  -5.257  -0.323
   46   HG13  VAL  16          HG13      VAL  16 -16.427  -3.718  -0.032
   47   HG21  VAL  16          HG21      VAL  16 -13.404  -1.957   1.022
   48   HG22  VAL  16          HG22      VAL  16 -14.101  -2.994   2.178
   49   HG23  VAL  16          HG23      VAL  16 -15.197  -1.966   1.208
   50    H    LYS  17           HN       LYS  17 -11.729  -3.388   2.354
   51    HA   LYS  17           HA       LYS  17 -10.228  -1.801   0.674
   52    HB2  LYS  17           HB2      LYS  17 -10.458  -1.475   3.103
   53    HB3  LYS  17           HB1      LYS  17  -9.449  -2.877   3.389
   54    HG2  LYS  17           HG2      LYS  17  -7.556  -1.702   2.339
   55    HG3  LYS  17           HG1      LYS  17  -8.578  -0.286   2.106
   56    HD2  LYS  17           HD2      LYS  17  -8.944  -0.212   4.568
   57    HD3  LYS  17           HD1      LYS  17  -7.802  -1.545   4.742
   58    HE2  LYS  17           HE2      LYS  17  -6.057  -0.147   3.698
   59    HE3  LYS  17           HE1      LYS  17  -7.205   1.188   3.599
   60    HZ1  LYS  17           HZ1      LYS  17  -7.326   1.030   6.135
   61    HZ2  LYS  17           HZ2      LYS  17  -5.834   1.478   5.483
   62    HZ3  LYS  17           HZ3      LYS  17  -5.988  -0.017   6.023
   63    H    LYS  18           HN       LYS  18  -9.867  -5.150   1.259
   64    HA   LYS  18           HA       LYS  18  -7.070  -5.341   0.779
   65    HB2  LYS  18           HB2      LYS  18  -8.851  -7.106   1.745
   66    HB3  LYS  18           HB1      LYS  18  -8.794  -7.646   0.067
   67    HG2  LYS  18           HG2      LYS  18  -7.169  -8.879   1.318
   68    HG3  LYS  18           HG1      LYS  18  -6.322  -7.757   0.244
   69    HD2  LYS  18           HD2      LYS  18  -6.336  -6.130   2.293
   70    HD3  LYS  18           HD1      LYS  18  -6.752  -7.564   3.206
   71    HE2  LYS  18           HE2      LYS  18  -4.333  -7.286   1.464
   72    HE3  LYS  18           HE1      LYS  18  -4.353  -7.043   3.216
   73    HZ1  LYS  18           HZ1      LYS  18  -5.124  -9.449   3.361
   74    HZ2  LYS  18           HZ2      LYS  18  -3.568  -9.118   2.770
   75    HZ3  LYS  18           HZ3      LYS  18  -4.730  -9.548   1.683
   76    H    ASP  19           HN       ASP  19  -9.849  -5.200  -1.349
   77    HA   ASP  19           HA       ASP  19  -8.369  -5.858  -3.726
   78    HB2  ASP  19           HB2      ASP  19 -10.780  -6.102  -3.799
   79    HB3  ASP  19           HB1      ASP  19 -11.012  -4.424  -3.317
   80    H    ALA  20           HN       ALA  20  -9.427  -2.975  -2.095
   81    HA   ALA  20           HA       ALA  20  -8.540  -1.018  -3.845
   82    HB1  ALA  20           HB1      ALA  20  -9.927  -0.466  -1.907
   83    HB2  ALA  20           HB2      ALA  20  -8.446   0.510  -1.927
   84    HB3  ALA  20           HB3      ALA  20  -8.580  -0.859  -0.836
   85    H    LEU  21           HN       LEU  21  -6.768  -2.718  -1.340
   86    HA   LEU  21           HA       LEU  21  -4.402  -1.178  -1.545
   87    HB2  LEU  21           HB2      LEU  21  -4.676  -4.061  -0.695
   88    HB3  LEU  21           HB1      LEU  21  -3.285  -3.049  -0.392
   89    HG   LEU  21           HG       LEU  21  -6.039  -2.785   0.792
   90   HD11  LEU  21          HD11      LEU  21  -4.696  -4.512   1.800
   91   HD12  LEU  21          HD12      LEU  21  -4.908  -3.160   2.911
   92   HD13  LEU  21          HD13      LEU  21  -3.380  -3.368   2.059
   93   HD21  LEU  21          HD21      LEU  21  -5.238  -0.547   0.366
   94   HD22  LEU  21          HD22      LEU  21  -3.676  -0.933   1.079
   95   HD23  LEU  21          HD23      LEU  21  -5.116  -0.885   2.094
   96    H    GLU  22           HN       GLU  22  -5.577  -3.947  -3.345
   97    HA   GLU  22           HA       GLU  22  -3.102  -4.518  -4.631
   98    HB2  GLU  22           HB2      GLU  22  -5.918  -5.348  -5.338
   99    HB3  GLU  22           HB1      GLU  22  -4.457  -5.996  -6.073
  100    HG2  GLU  22           HG2      GLU  22  -5.284  -6.247  -3.193
  101    HG3  GLU  22           HG1      GLU  22  -5.272  -7.526  -4.410
  102    H    ASN  23           HN       ASN  23  -6.090  -2.896  -5.569
  103    HA   ASN  23           HA       ASN  23  -5.087  -2.208  -8.134
  104    HB2  ASN  23           HB2      ASN  23  -7.112  -0.873  -8.455
  105    HB3  ASN  23           HB1      ASN  23  -7.550  -2.383  -7.683
  106   HD21  ASN  23          HD21      ASN  23  -9.385  -1.901  -6.535
  107   HD22  ASN  23          HD22      ASN  23  -9.528  -0.581  -5.479
  108    H    LEU  24           HN       LEU  24  -4.878  -0.802  -5.050
  109    HA   LEU  24           HA       LEU  24  -3.970   1.763  -5.751
  110    HB2  LEU  24           HB2      LEU  24  -4.894   1.140  -3.575
  111    HB3  LEU  24           HB1      LEU  24  -3.519   0.116  -3.281
  112    HG   LEU  24           HG       LEU  24  -2.985   3.015  -3.689
  113   HD11  LEU  24          HD11      LEU  24  -4.350   1.756  -1.321
  114   HD12  LEU  24          HD12      LEU  24  -4.937   3.081  -2.353
  115   HD13  LEU  24          HD13      LEU  24  -3.561   3.347  -1.276
  116   HD21  LEU  24          HD21      LEU  24  -1.360   2.560  -1.917
  117   HD22  LEU  24          HD22      LEU  24  -1.178   1.391  -3.228
  118   HD23  LEU  24          HD23      LEU  24  -1.996   0.925  -1.735
  119    H    ARG  25           HN       ARG  25  -2.291  -1.270  -5.068
  120    HA   ARG  25           HA       ARG  25   0.323  -0.264  -5.240
  121    HB2  ARG  25           HB2      ARG  25  -0.213  -2.512  -4.374
  122    HB3  ARG  25           HB1      ARG  25  -0.675  -3.026  -5.985
  123    HG2  ARG  25           HG2      ARG  25   1.587  -2.846  -6.765
  124    HG3  ARG  25           HG1      ARG  25   2.101  -2.098  -5.255
  125    HD2  ARG  25           HD2      ARG  25   2.752  -4.425  -5.297
  126    HD3  ARG  25           HD1      ARG  25   1.538  -4.162  -4.053
  127    HE   ARG  25           HE       ARG  25   1.116  -5.482  -6.634
  128   HH11  ARG  25          HH11      ARG  25   0.063  -4.911  -3.260
  129   HH12  ARG  25          HH12      ARG  25  -1.183  -6.068  -3.350
  130   HH21  ARG  25          HH21      ARG  25  -0.560  -7.201  -6.610
  131   HH22  ARG  25          HH22      ARG  25  -1.480  -7.373  -5.179
  132    H    VAL  26           HN       VAL  26  -2.006  -0.863  -7.681
  133    HA   VAL  26           HA       VAL  26  -0.171  -0.860  -9.871
  134    HB   VAL  26           HB       VAL  26  -3.163  -0.357  -9.894
  135   HG11  VAL  26          HG11      VAL  26  -2.090   0.469 -11.915
  136   HG12  VAL  26          HG12      VAL  26  -3.049  -0.967 -12.271
  137   HG13  VAL  26          HG13      VAL  26  -1.293  -1.088 -12.148
  138   HG21  VAL  26          HG21      VAL  26  -3.365  -2.715 -10.570
  139   HG22  VAL  26          HG22      VAL  26  -2.643  -2.551  -8.969
  140   HG23  VAL  26          HG23      VAL  26  -1.624  -2.914 -10.361
  141    H    TYR  27           HN       TYR  27  -2.641   1.571  -8.855
  142    HA   TYR  27           HA       TYR  27  -1.468   3.508 -10.625
  143    HB2  TYR  27           HB2      TYR  27  -3.123   5.158  -9.678
  144    HB3  TYR  27           HB1      TYR  27  -3.828   3.724 -10.393
  145    HD1  TYR  27           HD2      TYR  27  -2.742   4.938  -6.952
  146    HD2  TYR  27           HD1      TYR  27  -5.612   2.793  -9.274
  147    HE1  TYR  27           HE2      TYR  27  -4.097   4.532  -4.912
  148    HE2  TYR  27           HE1      TYR  27  -6.973   2.434  -7.257
  149    HH   TYR  27           HH       TYR  27  -6.697   2.332  -4.886
  150    H    LEU  28           HN       LEU  28  -1.023   2.843  -7.301
  151    HA   LEU  28           HA       LEU  28  -0.024   5.492  -6.812
  152    HB2  LEU  28           HB2      LEU  28  -1.679   4.514  -5.310
  153    HB3  LEU  28           HB1      LEU  28  -0.649   3.156  -5.011
  154    HG   LEU  28           HG       LEU  28  -1.016   4.920  -3.202
  155   HD11  LEU  28          HD11      LEU  28   1.222   4.603  -2.338
  156   HD12  LEU  28          HD12      LEU  28   1.717   3.990  -3.931
  157   HD13  LEU  28          HD13      LEU  28   0.484   3.140  -2.992
  158   HD21  LEU  28          HD21      LEU  28   1.129   6.329  -4.774
  159   HD22  LEU  28          HD22      LEU  28   0.464   6.819  -3.204
  160   HD23  LEU  28          HD23      LEU  28  -0.545   6.847  -4.648
  161    H    CYS  29           HN       CYS  29   1.333   2.555  -7.807
  162    HA   CYS  29           HA       CYS  29   3.839   2.543  -6.420
  163    HB2  CYS  29           HB2      CYS  29   4.651   1.095  -8.182
  164    HB3  CYS  29           HB1      CYS  29   3.019   0.615  -7.743
  165    HG   CYS  29           HG       CYS  29   1.799   1.470 -10.027
  166    H    GLU  30           HN       GLU  30   2.686   4.560  -8.975
  167    HA   GLU  30           HA       GLU  30   5.317   5.316  -9.865
  168    HB2  GLU  30           HB2      GLU  30   3.111   5.285 -11.242
  169    HB3  GLU  30           HB1      GLU  30   2.780   6.830 -10.471
  170    HG2  GLU  30           HG2      GLU  30   3.746   7.268 -12.609
  171    HG3  GLU  30           HG1      GLU  30   4.953   7.667 -11.386
  172    H    LYS  31           HN       LYS  31   3.409   6.106  -7.221
  173    HA   LYS  31           HA       LYS  31   4.847   8.622  -6.920
  174    HB2  LYS  31           HB2      LYS  31   2.032   7.974  -6.072
  175    HB3  LYS  31           HB1      LYS  31   2.987   9.139  -5.165
  176    HG2  LYS  31           HG2      LYS  31   2.281   9.255  -8.081
  177    HG3  LYS  31           HG1      LYS  31   1.609  10.239  -6.778
  178    HD2  LYS  31           HD2      LYS  31   4.062  10.870  -6.330
  179    HD3  LYS  31           HD1      LYS  31   4.337  10.331  -7.990
  180    HE2  LYS  31           HE2      LYS  31   3.910  12.678  -8.072
  181    HE3  LYS  31           HE1      LYS  31   2.478  11.854  -8.696
  182    HZ1  LYS  31           HZ1      LYS  31   2.867  13.011  -6.006
  183    HZ2  LYS  31           HZ2      LYS  31   1.626  12.053  -6.286
  184    HZ3  LYS  31           HZ3      LYS  31   1.739  13.556  -7.114
  185    H    ILE  32           HN       ILE  32   5.089   5.613  -5.980
  186    HA   ILE  32           HA       ILE  32   6.368   6.516  -3.558
  187    HB   ILE  32           HB       ILE  32   4.318   5.563  -2.705
  188   HG12  ILE  32          HG12      ILE  32   6.602   3.610  -2.275
  189   HG13  ILE  32          HG11      ILE  32   6.376   5.128  -1.411
  190   HG21  ILE  32          HG21      ILE  32   3.689   4.164  -4.589
  191   HG22  ILE  32          HG22      ILE  32   3.649   3.240  -3.083
  192   HG23  ILE  32          HG23      ILE  32   4.995   3.042  -4.205
  193   HD11  ILE  32          HD11      ILE  32   4.491   2.784  -1.355
  194   HD12  ILE  32          HD12      ILE  32   4.342   4.268  -0.406
  195   HD13  ILE  32          HD13      ILE  32   5.686   3.163  -0.114
  196    H    ILE  33           HN       ILE  33   8.371   6.343  -4.291
  197    HA   ILE  33           HA       ILE  33   9.104   3.836  -5.544
  198    HB   ILE  33           HB       ILE  33  10.870   6.128  -4.600
  199   HG12  ILE  33          HG12      ILE  33   9.345   6.914  -6.342
  200   HG13  ILE  33          HG11      ILE  33  10.987   6.828  -6.962
  201   HG21  ILE  33          HG21      ILE  33  12.087   4.046  -4.796
  202   HG22  ILE  33          HG22      ILE  33  12.593   5.181  -6.051
  203   HG23  ILE  33          HG23      ILE  33  11.516   3.841  -6.453
  204   HD11  ILE  33          HD11      ILE  33  10.433   4.724  -8.100
  205   HD12  ILE  33          HD12      ILE  33   9.392   6.050  -8.613
  206   HD13  ILE  33          HD13      ILE  33   8.781   4.837  -7.490
  207    H    ALA  34           HN       ALA  34   9.545   2.150  -4.332
  208    HA   ALA  34           HA       ALA  34   9.770   2.352  -1.474
  209    HB1  ALA  34           HB1      ALA  34  10.161  -0.041  -3.227
  210    HB2  ALA  34           HB2      ALA  34   8.602   0.523  -2.587
  211    HB3  ALA  34           HB3      ALA  34   9.881  -0.014  -1.478
  212    H    GLU  35           HN       GLU  35  11.707   1.798  -4.156
  213    HA   GLU  35           HA       GLU  35  13.929   0.613  -3.228
  214    HB2  GLU  35           HB2      GLU  35  13.241   1.030  -5.533
  215    HB3  GLU  35           HB1      GLU  35  13.595   2.704  -5.321
  216    HG2  GLU  35           HG2      GLU  35  15.461   1.655  -6.513
  217    HG3  GLU  35           HG1      GLU  35  15.944   2.390  -4.989
  218    H    ARG  36           HN       ARG  36  13.433   4.154  -3.522
  219    HA   ARG  36           HA       ARG  36  15.737   4.451  -1.834
  220    HB2  ARG  36           HB2      ARG  36  14.308   6.574  -3.404
  221    HB3  ARG  36           HB1      ARG  36  15.531   6.958  -2.198
  222    HG2  ARG  36           HG2      ARG  36  15.886   5.411  -4.760
  223    HG3  ARG  36           HG1      ARG  36  16.661   6.923  -4.284
  224    HD2  ARG  36           HD2      ARG  36  17.183   4.147  -3.157
  225    HD3  ARG  36           HD1      ARG  36  18.284   5.166  -4.059
  226    HE   ARG  36           HE       ARG  36  18.354   6.671  -2.163
  227   HH11  ARG  36          HH11      ARG  36  17.236   3.295  -1.487
  228   HH12  ARG  36          HH12      ARG  36  17.570   3.432   0.172
  229   HH21  ARG  36          HH21      ARG  36  18.779   6.709   0.237
  230   HH22  ARG  36          HH22      ARG  36  18.318   5.331   1.139
  231    H    HIS  37           HN       HIS  37  12.648   4.093  -1.322
  232    HA   HIS  37           HA       HIS  37  12.579   5.666   1.109
  233    HB2  HIS  37           HB2      HIS  37  10.562   5.081  -0.499
  234    HB3  HIS  37           HB1      HIS  37  10.542   3.570   0.395
  235    HD1  HIS  37           HD1      HIS  37   9.997   3.800   3.010
  236    HD2  HIS  37           HD2      HIS  37   9.370   7.218   0.738
  237    HE1  HIS  37           HE1      HIS  37   8.541   5.295   4.424
  238    HE2  HIS  37           HE2      HIS  37   8.015   7.262   2.948
  239    H    PHE  38           HN       PHE  38  13.908   2.810   0.059
  240    HA   PHE  38           HA       PHE  38  13.494   0.692   1.619
  241    HB2  PHE  38           HB2      PHE  38  15.075   0.653  -0.177
  242    HB3  PHE  38           HB1      PHE  38  16.130   1.777   0.655
  243    HD1  PHE  38           HD1      PHE  38  14.725  -1.658   0.915
  244    HD2  PHE  38           HD2      PHE  38  17.895   0.986   1.936
  245    HE1  PHE  38           HE1      PHE  38  16.010  -3.546   1.817
  246    HE2  PHE  38           HE2      PHE  38  19.182  -0.898   2.847
  247    HZ   PHE  38           HZ       PHE  38  18.239  -3.169   2.784
  248    H    ASP  39           HN       ASP  39  16.185   2.856   2.541
  249    HA   ASP  39           HA       ASP  39  16.474   1.769   5.118
  250    HB2  ASP  39           HB2      ASP  39  17.905   3.830   5.492
  251    HB3  ASP  39           HB1      ASP  39  18.350   2.865   4.089
  252    H    HIS  40           HN       HIS  40  14.652   4.230   3.793
  253    HA   HIS  40           HA       HIS  40  13.875   5.555   6.183
  254    HB2  HIS  40           HB2      HIS  40  12.666   5.740   3.408
  255    HB3  HIS  40           HB1      HIS  40  12.300   6.828   4.749
  256    HD1  HIS  40           HD1      HIS  40  14.458   6.690   1.821
  257    HD2  HIS  40           HD2      HIS  40  14.920   8.021   5.753
  258    HE1  HIS  40           HE1      HIS  40  16.390   8.208   1.789
  259    HE2  HIS  40           HE2      HIS  40  16.915   8.304   4.210
  260    H    LEU  41           HN       LEU  41  12.836   2.688   4.717
  261    HA   LEU  41           HA       LEU  41  10.151   2.630   5.744
  262    HB2  LEU  41           HB2      LEU  41  11.969   0.501   4.700
  263    HB3  LEU  41           HB1      LEU  41  10.332   0.188   5.236
  264    HG   LEU  41           HG       LEU  41  10.953   2.151   3.042
  265   HD11  LEU  41          HD11      LEU  41  10.188  -0.715   2.935
  266   HD12  LEU  41          HD12      LEU  41  11.795  -0.062   2.577
  267   HD13  LEU  41          HD13      LEU  41  10.412   0.350   1.522
  268   HD21  LEU  41          HD21      LEU  41   8.626   1.785   2.505
  269   HD22  LEU  41          HD22      LEU  41   8.770   2.325   4.182
  270   HD23  LEU  41          HD23      LEU  41   8.494   0.616   3.813
  271    H    ARG  42           HN       ARG  42  13.222   2.165   7.076
  272    HA   ARG  42           HA       ARG  42  12.403   0.366   9.133
  273    HB2  ARG  42           HB2      ARG  42  14.907   1.977   8.673
  274    HB3  ARG  42           HB1      ARG  42  14.629   1.232  10.238
  275    HG2  ARG  42           HG2      ARG  42  16.054  -0.188   8.871
  276    HG3  ARG  42           HG1      ARG  42  14.513  -0.980   9.166
  277    HD2  ARG  42           HD2      ARG  42  13.781  -0.217   6.888
  278    HD3  ARG  42           HD1      ARG  42  15.420   0.376   6.619
  279    HE   ARG  42           HE       ARG  42  15.734  -2.209   7.404
  280   HH11  ARG  42          HH11      ARG  42  14.125  -0.611   4.646
  281   HH12  ARG  42          HH12      ARG  42  14.170  -1.992   3.655
  282   HH21  ARG  42          HH21      ARG  42  15.778  -4.123   5.948
  283   HH22  ARG  42          HH22      ARG  42  15.112  -3.982   4.382
  284    H    ALA  43           HN       ALA  43  11.688   3.413   8.465
  285    HA   ALA  43           HA       ALA  43  11.410   4.887  10.779
  286    HB1  ALA  43           HB1      ALA  43  10.858   5.717   8.584
  287    HB2  ALA  43           HB2      ALA  43   9.350   5.747   9.541
  288    HB3  ALA  43           HB3      ALA  43   9.674   4.455   8.385
  289    H    LYS  44           HN       LYS  44   9.186   2.548   9.273
  290    HA   LYS  44           HA       LYS  44   7.824   2.404  11.858
  291    HB2  LYS  44           HB2      LYS  44   6.647   1.851   9.143
  292    HB3  LYS  44           HB1      LYS  44   5.805   1.649  10.668
  293    HG2  LYS  44           HG2      LYS  44   6.153   4.108  11.079
  294    HG3  LYS  44           HG1      LYS  44   6.756   4.223   9.422
  295    HD2  LYS  44           HD2      LYS  44   4.701   3.325   8.586
  296    HD3  LYS  44           HD1      LYS  44   4.014   3.206  10.223
  297    HE2  LYS  44           HE2      LYS  44   3.115   5.162   9.272
  298    HE3  LYS  44           HE1      LYS  44   4.439   5.741  10.284
  299    HZ1  LYS  44           HZ1      LYS  44   4.580   5.262   7.371
  300    HZ2  LYS  44           HZ2      LYS  44   5.826   5.953   8.333
  301    HZ3  LYS  44           HZ3      LYS  44   4.368   6.760   8.098
  302    H    LYS  45           HN       LYS  45   9.522   0.541   9.461
  303    HA   LYS  45           HA       LYS  45  10.231  -1.600   9.468
  304    HB2  LYS  45           HB2      LYS  45   9.556  -1.420  12.405
  305    HB3  LYS  45           HB1      LYS  45  10.458  -2.741  11.679
  306    HG2  LYS  45           HG2      LYS  45  12.300  -1.382  11.194
  307    HG3  LYS  45           HG1      LYS  45  11.368   0.098  11.406
  308    HD2  LYS  45           HD2      LYS  45  11.993  -1.840  13.622
  309    HD3  LYS  45           HD1      LYS  45  12.960  -0.404  13.274
  310    HE2  LYS  45           HE2      LYS  45  10.030  -0.444  14.090
  311    HE3  LYS  45           HE1      LYS  45  11.388   0.051  15.087
  312    HZ1  LYS  45           HZ1      LYS  45  10.243   1.991  14.144
  313    HZ2  LYS  45           HZ2      LYS  45  10.506   1.420  12.594
  314    HZ3  LYS  45           HZ3      LYS  45  11.807   1.891  13.513
  315    H    ILE  46           HN       ILE  46   8.131  -1.744   8.176
  316    HA   ILE  46           HA       ILE  46   5.734  -2.725   9.078
  317    HB   ILE  46           HB       ILE  46   6.790  -4.082   6.619
  318   HG12  ILE  46          HG12      ILE  46   5.782  -1.994   5.373
  319   HG13  ILE  46          HG11      ILE  46   6.261  -1.145   6.847
  320   HG21  ILE  46          HG21      ILE  46   4.090  -2.893   7.112
  321   HG22  ILE  46          HG22      ILE  46   4.578  -4.515   7.580
  322   HG23  ILE  46          HG23      ILE  46   4.576  -4.090   5.882
  323   HD11  ILE  46          HD11      ILE  46   8.053  -2.719   5.021
  324   HD12  ILE  46          HD12      ILE  46   8.528  -2.010   6.557
  325   HD13  ILE  46          HD13      ILE  46   8.016  -0.957   5.220
  326    H    LEU  47           HN       LEU  47   8.136  -4.683   7.496
  327    HA   LEU  47           HA       LEU  47   8.574  -6.670   9.348
  328    HB2  LEU  47           HB2      LEU  47   7.564  -8.486   7.786
  329    HB3  LEU  47           HB1      LEU  47   6.473  -7.678   8.886
  330    HG   LEU  47           HG       LEU  47   5.651  -6.266   7.000
  331   HD11  LEU  47          HD11      LEU  47   7.624  -6.353   5.621
  332   HD12  LEU  47          HD12      LEU  47   6.146  -6.717   4.728
  333   HD13  LEU  47          HD13      LEU  47   7.265  -8.025   5.168
  334   HD21  LEU  47          HD21      LEU  47   5.463  -9.224   6.518
  335   HD22  LEU  47          HD22      LEU  47   4.408  -7.975   5.844
  336   HD23  LEU  47          HD23      LEU  47   4.438  -8.251   7.585
  337    H    SER  48           HN       SER  48  10.317  -8.082   8.278
  338    HA   SER  48           HA       SER  48  10.750  -7.107   5.542
  339    HB2  SER  48           HB2      SER  48  12.626  -8.605   7.424
  340    HB3  SER  48           HB1      SER  48  13.043  -8.108   5.784
  341    HG   SER  48           HG       SER  48  12.055  -6.166   7.468
  342    H    ARG  49           HN       ARG  49   9.925  -8.613   4.046
  343    HA   ARG  49           HA       ARG  49   9.093 -11.012   5.382
  344    HB2  ARG  49           HB2      ARG  49   7.538  -9.825   4.009
  345    HB3  ARG  49           HB1      ARG  49   8.573 -10.021   2.611
  346    HG2  ARG  49           HG2      ARG  49   8.203 -12.462   2.790
  347    HG3  ARG  49           HG1      ARG  49   7.010 -12.120   4.057
  348    HD2  ARG  49           HD2      ARG  49   5.757 -10.730   2.570
  349    HD3  ARG  49           HD1      ARG  49   6.979 -10.913   1.313
  350    HE   ARG  49           HE       ARG  49   6.447 -13.305   1.444
  351   HH11  ARG  49          HH11      ARG  49   4.181 -10.617   1.791
  352   HH12  ARG  49          HH12      ARG  49   2.781 -11.560   1.575
  353   HH21  ARG  49          HH21      ARG  49   4.410 -14.631   1.090
  354   HH22  ARG  49          HH22      ARG  49   2.889 -13.828   1.241
  355    H    GLU  50           HN       GLU  50   9.963 -11.184   1.927
  356    HA   GLU  50           HA       GLU  50  12.364 -12.687   2.501
  357    HB2  GLU  50           HB2      GLU  50  11.247 -12.067  -0.255
  358    HB3  GLU  50           HB1      GLU  50  12.443 -13.267   0.165
  359    HG2  GLU  50           HG2      GLU  50  10.492 -14.457  -0.350
  360    HG3  GLU  50           HG1      GLU  50  10.570 -14.462   1.412
  361    H    ASP  51           HN       ASP  51  11.246 -10.319   0.305
  362    HA   ASP  51           HA       ASP  51  13.724  -9.506  -0.706
  363    HB2  ASP  51           HB2      ASP  51  11.113  -8.066  -0.994
  364    HB3  ASP  51           HB1      ASP  51  12.516  -7.943  -2.030
  365    H    THR  52           HN       THR  52  11.790  -8.181   1.897
  366    HA   THR  52           HA       THR  52  12.199  -5.491   1.666
  367    HB   THR  52           HB       THR  52  12.307  -6.859   4.322
  368    HG1  THR  52           HG1      THR  52   9.905  -6.382   2.955
  369   HG21  THR  52          HG21      THR  52  10.729  -5.067   4.952
  370   HG22  THR  52          HG22      THR  52  10.771  -4.414   3.333
  371   HG23  THR  52          HG23      THR  52  12.228  -4.368   4.340
  372    H    ARG  53           HN       ARG  53  14.603  -7.784   2.701
  373    HA   ARG  53           HA       ARG  53  16.557  -5.829   3.628
  374    HB2  ARG  53           HB2      ARG  53  16.834  -8.742   2.887
  375    HB3  ARG  53           HB1      ARG  53  18.087  -7.769   3.633
  376    HG2  ARG  53           HG2      ARG  53  16.878  -7.630   5.673
  377    HG3  ARG  53           HG1      ARG  53  15.419  -8.288   4.925
  378    HD2  ARG  53           HD2      ARG  53  18.026  -9.806   5.166
  379    HD3  ARG  53           HD1      ARG  53  16.693  -9.951   6.312
  380    HE   ARG  53           HE       ARG  53  15.390 -10.984   4.675
  381   HH11  ARG  53          HH11      ARG  53  18.740 -10.476   3.469
  382   HH12  ARG  53          HH12      ARG  53  18.443 -11.461   2.091
  383   HH21  ARG  53          HH21      ARG  53  15.188 -12.360   2.732
  384   HH22  ARG  53          HH22      ARG  53  16.564 -12.438   1.685
  385    H    GLU  54           HN       GLU  54  15.905  -7.729   0.788
  386    HA   GLU  54           HA       GLU  54  18.371  -7.131  -0.582
  387    HB2  GLU  54           HB2      GLU  54  16.217  -9.149  -1.039
  388    HB3  GLU  54           HB1      GLU  54  17.570  -8.913  -2.131
  389    HG2  GLU  54           HG2      GLU  54  19.133  -9.550  -0.426
  390    HG3  GLU  54           HG1      GLU  54  17.850  -9.603   0.784
  391    H    ILE  55           HN       ILE  55  15.221  -5.840  -0.740
  392    HA   ILE  55           HA       ILE  55  14.200  -6.058  -3.184
  393    HB   ILE  55           HB       ILE  55  12.930  -3.976  -3.015
  394   HG12  ILE  55          HG12      ILE  55  14.846  -3.142  -0.818
  395   HG13  ILE  55          HG11      ILE  55  14.893  -2.479  -2.447
  396   HG21  ILE  55          HG21      ILE  55  13.404  -5.139  -0.353
  397   HG22  ILE  55          HG22      ILE  55  12.359  -5.756  -1.627
  398   HG23  ILE  55          HG23      ILE  55  12.016  -4.184  -0.883
  399   HD11  ILE  55          HD11      ILE  55  13.726  -0.980  -0.926
  400   HD12  ILE  55          HD12      ILE  55  12.590  -2.262  -0.511
  401   HD13  ILE  55          HD13      ILE  55  12.617  -1.607  -2.146
  402    H    SER  56           HN       SER  56  16.864  -3.705  -2.752
  403    HA   SER  56           HA       SER  56  16.778  -2.529  -5.243
  404    HB2  SER  56           HB2      SER  56  19.243  -3.214  -3.650
  405    HB3  SER  56           HB1      SER  56  18.990  -1.821  -4.708
  406    HG   SER  56           HG       SER  56  17.395  -1.079  -3.274
  407    H    CYS  57           HN       CYS  57  18.069  -5.650  -4.252
  408    HA   CYS  57           HA       CYS  57  19.280  -6.193  -6.842
  409    HB2  CYS  57           HB2      CYS  57  19.098  -7.919  -4.364
  410    HB3  CYS  57           HB1      CYS  57  20.085  -8.247  -5.787
  411    HG   CYS  57           HG       CYS  57  20.968  -5.311  -4.937
  412    H    ARG  58           HN       ARG  58  16.335  -6.653  -5.234
  413    HA   ARG  58           HA       ARG  58  15.463  -9.055  -6.674
  414    HB2  ARG  58           HB2      ARG  58  14.029  -7.254  -4.717
  415    HB3  ARG  58           HB1      ARG  58  13.373  -8.730  -5.384
  416    HG2  ARG  58           HG2      ARG  58  15.889  -8.653  -3.737
  417    HG3  ARG  58           HG1      ARG  58  14.285  -8.919  -3.056
  418    HD2  ARG  58           HD2      ARG  58  14.021 -10.875  -4.541
  419    HD3  ARG  58           HD1      ARG  58  15.665 -10.626  -5.124
  420    HE   ARG  58           HE       ARG  58  16.486 -11.206  -2.939
  421   HH11  ARG  58          HH11      ARG  58  12.982 -11.571  -3.084
  422   HH12  ARG  58          HH12      ARG  58  12.919 -12.921  -2.065
  423   HH21  ARG  58          HH21      ARG  58  16.467 -12.874  -1.521
  424   HH22  ARG  58          HH22      ARG  58  15.042 -13.738  -1.083
  425    H    THR  59           HN       THR  59  15.935  -6.173  -7.639
  426    HA   THR  59           HA       THR  59  13.495  -5.080  -8.447
  427    HB   THR  59           HB       THR  59  16.350  -4.518  -9.115
  428    HG1  THR  59           HG1      THR  59  15.238  -4.004  -6.991
  429   HG21  THR  59          HG21      THR  59  15.584  -2.435 -10.220
  430   HG22  THR  59          HG22      THR  59  13.915  -2.973 -10.001
  431   HG23  THR  59          HG23      THR  59  14.977  -3.867 -11.075
  432    H    SER  60           HN       SER  60  12.371  -5.183 -10.196
  433    HA   SER  60           HA       SER  60  13.503  -6.046 -12.707
  434    HB2  SER  60           HB2      SER  60  12.035  -7.912 -11.838
  435    HB3  SER  60           HB1      SER  60  10.710  -6.768 -11.675
  436    HG   SER  60           HG       SER  60  11.637  -8.075 -13.869
  437    H    SER  61           HN       SER  61  12.355  -4.813 -14.471
  438    HA   SER  61           HA       SER  61  12.673  -2.213 -14.243
  439    HB2  SER  61           HB2      SER  61  10.509  -3.409 -15.951
  440    HB3  SER  61           HB1      SER  61  11.479  -1.970 -16.289
  441    HG   SER  61           HG       SER  61  13.002  -3.224 -17.030
  442    H    ARG  62           HN       ARG  62   9.213  -3.238 -14.313
  443    HA   ARG  62           HA       ARG  62   8.587  -0.760 -12.905
  444    HB2  ARG  62           HB2      ARG  62   6.813  -2.751 -14.293
  445    HB3  ARG  62           HB1      ARG  62   6.161  -1.483 -13.274
  446    HG2  ARG  62           HG2      ARG  62   7.795  -1.105 -15.778
  447    HG3  ARG  62           HG1      ARG  62   6.060  -0.842 -15.605
  448    HD2  ARG  62           HD2      ARG  62   8.298   0.733 -14.313
  449    HD3  ARG  62           HD1      ARG  62   7.148   1.294 -15.516
  450    HE   ARG  62           HE       ARG  62   5.880   0.400 -13.103
  451   HH11  ARG  62          HH11      ARG  62   7.298   3.281 -14.725
  452   HH12  ARG  62          HH12      ARG  62   6.583   4.327 -13.581
  453   HH21  ARG  62          HH21      ARG  62   5.013   2.053 -11.517
  454   HH22  ARG  62          HH22      ARG  62   5.508   3.664 -11.845
  455    H    LYS  63           HN       LYS  63   9.136  -3.901 -12.146
  456    HA   LYS  63           HA       LYS  63   7.156  -4.382 -10.153
  457    HB2  LYS  63           HB2      LYS  63   8.698  -6.045 -11.501
  458    HB3  LYS  63           HB1      LYS  63   9.822  -5.681 -10.233
  459    HG2  LYS  63           HG2      LYS  63   8.483  -7.783  -9.862
  460    HG3  LYS  63           HG1      LYS  63   8.495  -6.623  -8.529
  461    HD2  LYS  63           HD2      LYS  63   6.444  -5.875  -8.958
  462    HD3  LYS  63           HD1      LYS  63   6.329  -6.525 -10.602
  463    HE2  LYS  63           HE2      LYS  63   4.905  -7.922  -9.238
  464    HE3  LYS  63           HE1      LYS  63   6.365  -8.849  -9.543
  465    HZ1  LYS  63           HZ1      LYS  63   5.873  -9.116  -7.256
  466    HZ2  LYS  63           HZ2      LYS  63   5.399  -7.612  -7.075
  467    HZ3  LYS  63           HZ3      LYS  63   7.075  -7.917  -7.210
  468    H    ARG  64           HN       ARG  64  10.169  -2.864 -10.283
  469    HA   ARG  64           HA       ARG  64  11.376  -3.287  -7.966
  470    HB2  ARG  64           HB2      ARG  64  12.191  -2.003  -9.940
  471    HB3  ARG  64           HB1      ARG  64  11.318  -0.618  -9.329
  472    HG2  ARG  64           HG2      ARG  64  12.682  -0.596  -7.323
  473    HG3  ARG  64           HG1      ARG  64  13.551  -2.017  -7.891
  474    HD2  ARG  64           HD2      ARG  64  14.108  -0.641  -9.970
  475    HD3  ARG  64           HD1      ARG  64  13.560   0.756  -9.043
  476    HE   ARG  64           HE       ARG  64  15.318  -0.531  -7.396
  477   HH11  ARG  64          HH11      ARG  64  15.601   0.890 -10.617
  478   HH12  ARG  64          HH12      ARG  64  17.277   1.191 -10.474
  479   HH21  ARG  64          HH21      ARG  64  17.384  -0.174  -7.171
  480   HH22  ARG  64          HH22      ARG  64  18.416   0.535  -8.352
  481    H    ALA  65           HN       ALA  65   9.330  -0.364  -8.450
  482    HA   ALA  65           HA       ALA  65   9.539   0.412  -5.726
  483    HB1  ALA  65           HB1      ALA  65   9.075   2.078  -7.462
  484    HB2  ALA  65           HB2      ALA  65   7.740   2.059  -6.293
  485    HB3  ALA  65           HB3      ALA  65   7.550   1.279  -7.843
  486    H    GLY  66           HN       GLY  66   7.195  -1.325  -7.649
  487    HA2  GLY  66           HA2      GLY  66   5.065  -1.387  -5.818
  488    HA3  GLY  66           HA1      GLY  66   5.288  -2.475  -7.174
  489    H    LYS  67           HN       LYS  67   7.900  -3.354  -6.147
  490    HA   LYS  67           HA       LYS  67   7.267  -5.748  -5.018
  491    HB2  LYS  67           HB2      LYS  67   9.410  -5.392  -6.004
  492    HB3  LYS  67           HB1      LYS  67   9.818  -4.164  -4.832
  493    HG2  LYS  67           HG2      LYS  67  11.125  -6.079  -4.331
  494    HG3  LYS  67           HG1      LYS  67   9.900  -5.959  -3.087
  495    HD2  LYS  67           HD2      LYS  67   9.679  -7.838  -5.463
  496    HD3  LYS  67           HD1      LYS  67  10.438  -8.299  -3.946
  497    HE2  LYS  67           HE2      LYS  67   8.139  -7.562  -2.905
  498    HE3  LYS  67           HE1      LYS  67   7.566  -7.729  -4.550
  499    HZ1  LYS  67           HZ1      LYS  67   8.318 -10.063  -4.528
  500    HZ2  LYS  67           HZ2      LYS  67   7.196  -9.731  -3.317
  501    HZ3  LYS  67           HZ3      LYS  67   8.849  -9.849  -2.935
  502    H    LEU  68           HN       LEU  68   8.050  -2.827  -3.196
  503    HA   LEU  68           HA       LEU  68   8.016  -4.136  -0.686
  504    HB2  LEU  68           HB2      LEU  68   9.036  -2.287  -0.463
  505    HB3  LEU  68           HB1      LEU  68   8.071  -1.348  -1.617
  506    HG   LEU  68           HG       LEU  68   6.318  -1.553   0.374
  507   HD11  LEU  68          HD11      LEU  68   8.830  -1.969   1.833
  508   HD12  LEU  68          HD12      LEU  68   7.310  -2.909   1.783
  509   HD13  LEU  68          HD13      LEU  68   7.334  -1.309   2.518
  510   HD21  LEU  68          HD21      LEU  68   7.095   0.602   1.261
  511   HD22  LEU  68          HD22      LEU  68   7.113   0.563  -0.502
  512   HD23  LEU  68          HD23      LEU  68   8.619   0.392   0.399
  513    H    LEU  69           HN       LEU  69   5.547  -2.353  -2.402
  514    HA   LEU  69           HA       LEU  69   3.653  -2.711  -0.325
  515    HB2  LEU  69           HB2      LEU  69   2.201  -2.039  -2.636
  516    HB3  LEU  69           HB1      LEU  69   2.666  -1.028  -1.330
  517    HG   LEU  69           HG       LEU  69   4.501  -1.268  -3.798
  518   HD11  LEU  69          HD11      LEU  69   3.647   0.838  -4.471
  519   HD12  LEU  69          HD12      LEU  69   2.631   0.943  -3.049
  520   HD13  LEU  69          HD13      LEU  69   2.264  -0.255  -4.301
  521   HD21  LEU  69          HD21      LEU  69   4.394   0.728  -1.537
  522   HD22  LEU  69          HD22      LEU  69   5.567   0.690  -2.856
  523   HD23  LEU  69          HD23      LEU  69   5.559  -0.582  -1.633
  524    H    ASP  70           HN       ASP  70   4.802  -4.517  -2.790
  525    HA   ASP  70           HA       ASP  70   2.695  -6.339  -3.482
  526    HB2  ASP  70           HB2      ASP  70   4.642  -5.686  -4.885
  527    HB3  ASP  70           HB1      ASP  70   5.698  -6.432  -3.719
  528    H    TYR  71           HN       TYR  71   5.571  -6.398  -1.366
  529    HA   TYR  71           HA       TYR  71   4.919  -9.005  -0.471
  530    HB2  TYR  71           HB2      TYR  71   6.842  -8.740   1.219
  531    HB3  TYR  71           HB1      TYR  71   7.230  -8.887  -0.484
  532    HD1  TYR  71           HD1      TYR  71   6.698  -6.039   2.108
  533    HD2  TYR  71           HD2      TYR  71   9.032  -7.572  -1.166
  534    HE1  TYR  71           HE1      TYR  71   8.330  -4.361   2.445
  535    HE2  TYR  71           HE2      TYR  71  10.616  -5.756  -0.830
  536    HH   TYR  71           HH       TYR  71  10.698  -3.543   0.197
  537    H    LEU  72           HN       LEU  72   3.744  -6.163   0.511
  538    HA   LEU  72           HA       LEU  72   3.498  -6.574   3.368
  539    HB2  LEU  72           HB2      LEU  72   1.829  -4.817   1.640
  540    HB3  LEU  72           HB1      LEU  72   2.098  -4.695   3.356
  541    HG   LEU  72           HG       LEU  72   4.180  -4.196   1.246
  542   HD11  LEU  72          HD11      LEU  72   2.318  -2.646   1.164
  543   HD12  LEU  72          HD12      LEU  72   3.787  -1.886   1.776
  544   HD13  LEU  72          HD13      LEU  72   2.501  -2.341   2.891
  545   HD21  LEU  72          HD21      LEU  72   5.424  -3.145   3.023
  546   HD22  LEU  72          HD22      LEU  72   5.093  -4.830   3.501
  547   HD23  LEU  72          HD23      LEU  72   4.135  -3.490   4.155
  548    H    GLN  73           HN       GLN  73   1.753  -7.907   0.721
  549    HA   GLN  73           HA       GLN  73  -0.850  -7.252   1.138
  550    HB2  GLN  73           HB2      GLN  73   0.477  -8.945  -0.560
  551    HB3  GLN  73           HB1      GLN  73  -0.675 -10.002   0.245
  552    HG2  GLN  73           HG2      GLN  73  -1.580  -7.376  -0.995
  553    HG3  GLN  73           HG1      GLN  73  -1.534  -8.932  -1.892
  554   HE21  GLN  73          HE21      GLN  73  -3.289  -6.918  -1.238
  555   HE22  GLN  73          HE22      GLN  73  -4.627  -7.590  -0.447
  556    H    GLU  74           HN       GLU  74   0.460 -10.269   2.650
  557    HA   GLU  74           HA       GLU  74  -2.042 -10.438   4.018
  558    HB2  GLU  74           HB2      GLU  74  -1.040 -12.512   5.168
  559    HB3  GLU  74           HB1      GLU  74  -1.369 -12.589   3.454
  560    HG2  GLU  74           HG2      GLU  74   1.370 -11.948   4.486
  561    HG3  GLU  74           HG1      GLU  74   0.803 -13.610   4.359
  562    H    ASN  75           HN       ASN  75   0.118  -8.364   4.627
  563    HA   ASN  75           HA       ASN  75  -0.296  -8.495   7.523
  564    HB2  ASN  75           HB2      ASN  75   2.138  -8.465   6.773
  565    HB3  ASN  75           HB1      ASN  75   1.836  -6.870   6.095
  566   HD21  ASN  75          HD21      ASN  75   2.125  -8.730   8.981
  567   HD22  ASN  75          HD22      ASN  75   2.330  -7.431  10.095
  568    HA   PRO  76           HA       PRO  76  -3.643  -5.885   5.765
  569    HB2  PRO  76           HB2      PRO  76  -3.861  -5.536   8.728
  570    HB3  PRO  76           HB1      PRO  76  -5.155  -5.735   7.523
  571    HG2  PRO  76           HG2      PRO  76  -4.413  -7.799   8.947
  572    HG3  PRO  76           HG1      PRO  76  -4.743  -7.977   7.212
  573    HD2  PRO  76           HD2      PRO  76  -2.149  -8.045   8.631
  574    HD3  PRO  76           HD1      PRO  76  -2.629  -8.817   7.108
  575    H    LYS  77           HN       LYS  77  -1.681  -4.595   8.452
  576    HA   LYS  77           HA       LYS  77  -2.430  -1.914   7.719
  577    HB2  LYS  77           HB2      LYS  77  -1.020  -1.168   9.647
  578    HB3  LYS  77           HB1      LYS  77  -2.295  -2.286  10.068
  579    HG2  LYS  77           HG2      LYS  77  -0.381  -2.856  11.377
  580    HG3  LYS  77           HG1      LYS  77  -0.552  -4.108  10.156
  581    HD2  LYS  77           HD2      LYS  77   1.256  -3.112   8.851
  582    HD3  LYS  77           HD1      LYS  77   1.372  -1.772   9.989
  583    HE2  LYS  77           HE2      LYS  77   2.089  -3.286  11.751
  584    HE3  LYS  77           HE1      LYS  77   1.862  -4.673  10.689
  585    HZ1  LYS  77           HZ1      LYS  77   3.827  -2.481  10.256
  586    HZ2  LYS  77           HZ2      LYS  77   3.600  -3.842   9.270
  587    HZ3  LYS  77           HZ3      LYS  77   4.210  -4.033  10.817
  588    H    GLY  78           HN       GLY  78  -0.305  -3.872   6.325
  589    HA2  GLY  78           HA2      GLY  78   2.130  -2.550   6.207
  590    HA3  GLY  78           HA1      GLY  78   1.491  -3.624   4.977
  591    H    LEU  79           HN       LEU  79  -0.608  -2.248   3.975
  592    HA   LEU  79           HA       LEU  79   0.746  -0.324   2.388
  593    HB2  LEU  79           HB2      LEU  79  -2.074  -1.292   2.464
  594    HB3  LEU  79           HB1      LEU  79  -1.719   0.178   1.589
  595    HG   LEU  79           HG       LEU  79  -1.839  -1.691   0.060
  596   HD11  LEU  79          HD11      LEU  79  -0.314   0.028  -0.538
  597   HD12  LEU  79          HD12      LEU  79   0.254  -1.571  -1.053
  598   HD13  LEU  79          HD13      LEU  79   0.989  -0.790   0.347
  599   HD21  LEU  79          HD21      LEU  79  -0.080  -3.437   0.075
  600   HD22  LEU  79          HD22      LEU  79  -1.298  -3.609   1.350
  601   HD23  LEU  79          HD23      LEU  79   0.309  -2.971   1.733
  602    H    ASP  80           HN       ASP  80  -1.414  -0.042   5.133
  603    HA   ASP  80           HA       ASP  80  -1.842   2.735   4.927
  604    HB2  ASP  80           HB2      ASP  80  -1.945   0.923   7.346
  605    HB3  ASP  80           HB1      ASP  80  -2.402   2.623   7.388
  606    H    THR  81           HN       THR  81   0.565   0.787   6.379
  607    HA   THR  81           HA       THR  81   2.094   2.591   7.848
  608    HB   THR  81           HB       THR  81   2.886   0.133   6.252
  609    HG1  THR  81           HG1      THR  81   1.392  -0.216   7.921
  610   HG21  THR  81          HG21      THR  81   4.436   1.435   8.484
  611   HG22  THR  81          HG22      THR  81   4.894   1.493   6.775
  612   HG23  THR  81          HG23      THR  81   4.855  -0.049   7.643
  613    H    LEU  82           HN       LEU  82   1.874   2.022   4.409
  614    HA   LEU  82           HA       LEU  82   4.238   3.582   3.803
  615    HB2  LEU  82           HB2      LEU  82   2.352   2.182   1.943
  616    HB3  LEU  82           HB1      LEU  82   3.877   2.919   1.507
  617    HG   LEU  82           HG       LEU  82   3.422   0.375   3.063
  618   HD11  LEU  82          HD11      LEU  82   4.914  -0.489   1.417
  619   HD12  LEU  82          HD12      LEU  82   4.825   1.055   0.559
  620   HD13  LEU  82          HD13      LEU  82   3.365   0.077   0.790
  621   HD21  LEU  82          HD21      LEU  82   5.139   1.648   4.280
  622   HD22  LEU  82          HD22      LEU  82   6.016   1.899   2.773
  623   HD23  LEU  82          HD23      LEU  82   5.837   0.272   3.430
  624    H    VAL  83           HN       VAL  83   0.763   3.678   2.979
  625    HA   VAL  83           HA       VAL  83   0.864   5.985   1.397
  626    HB   VAL  83           HB       VAL  83  -1.119   4.564   1.319
  627   HG11  VAL  83          HG11      VAL  83  -2.745   4.478   3.135
  628   HG12  VAL  83          HG12      VAL  83  -1.693   5.505   4.118
  629   HG13  VAL  83          HG13      VAL  83  -1.149   3.898   3.626
  630   HG21  VAL  83          HG21      VAL  83  -2.909   6.272   1.454
  631   HG22  VAL  83          HG22      VAL  83  -1.445   6.897   0.674
  632   HG23  VAL  83          HG23      VAL  83  -1.788   7.297   2.363
  633    H    GLU  84           HN       GLU  84   0.782   5.700   4.826
  634    HA   GLU  84           HA       GLU  84  -0.031   8.224   5.525
  635    HB2  GLU  84           HB2      GLU  84   0.251   6.368   7.112
  636    HB3  GLU  84           HB1      GLU  84   1.978   6.379   6.865
  637    HG2  GLU  84           HG2      GLU  84   0.480   8.672   8.133
  638    HG3  GLU  84           HG1      GLU  84   1.120   7.315   9.051
  639    H    SER  85           HN       SER  85   3.101   7.061   4.443
  640    HA   SER  85           HA       SER  85   4.635   9.384   5.006
  641    HB2  SER  85           HB2      SER  85   5.635   7.133   4.735
  642    HB3  SER  85           HB1      SER  85   5.131   7.110   3.053
  643    HG   SER  85           HG       SER  85   6.514   9.319   3.405
  644    H    ILE  86           HN       ILE  86   2.627   8.364   2.350
  645    HA   ILE  86           HA       ILE  86   3.616  10.283   0.432
  646    HB   ILE  86           HB       ILE  86   1.100   8.585   0.327
  647   HG12  ILE  86          HG12      ILE  86   3.864   7.958  -0.728
  648   HG13  ILE  86          HG11      ILE  86   3.121   7.216   0.684
  649   HG21  ILE  86          HG21      ILE  86   2.706   9.882  -1.892
  650   HG22  ILE  86          HG22      ILE  86   1.126  10.413  -1.315
  651   HG23  ILE  86          HG23      ILE  86   1.292   8.849  -2.114
  652   HD11  ILE  86          HD11      ILE  86   2.191   7.005  -2.160
  653   HD12  ILE  86          HD12      ILE  86   1.343   6.341  -0.774
  654   HD13  ILE  86          HD13      ILE  86   2.946   5.732  -1.194
  655    H    ARG  87           HN       ARG  87   1.363  10.219   2.957
  656    HA   ARG  87           HA       ARG  87  -0.647  11.939   2.004
  657    HB2  ARG  87           HB2      ARG  87  -0.750  10.348   3.971
  658    HB3  ARG  87           HB1      ARG  87   0.093  11.571   4.904
  659    HG2  ARG  87           HG2      ARG  87  -1.723  13.050   4.808
  660    HG3  ARG  87           HG1      ARG  87  -2.485  12.160   3.490
  661    HD2  ARG  87           HD2      ARG  87  -2.156  11.219   6.342
  662    HD3  ARG  87           HD1      ARG  87  -3.660  11.725   5.573
  663    HE   ARG  87           HE       ARG  87  -2.174   9.257   5.116
  664   HH11  ARG  87          HH11      ARG  87  -5.037  11.198   4.264
  665   HH12  ARG  87          HH12      ARG  87  -5.927   9.913   3.621
  666   HH21  ARG  87          HH21      ARG  87  -3.448   7.426   4.243
  667   HH22  ARG  87          HH22      ARG  87  -5.002   7.704   3.635
  668    H    ARG  88           HN       ARG  88   2.498  12.752   2.586
  669    HA   ARG  88           HA       ARG  88   2.152  15.474   3.475
  670    HB2  ARG  88           HB2      ARG  88   4.507  13.976   2.329
  671    HB3  ARG  88           HB1      ARG  88   4.557  15.720   2.483
  672    HG2  ARG  88           HG2      ARG  88   5.683  14.706   4.352
  673    HG3  ARG  88           HG1      ARG  88   4.215  15.492   4.915
  674    HD2  ARG  88           HD2      ARG  88   3.093  13.301   4.944
  675    HD3  ARG  88           HD1      ARG  88   4.596  12.538   4.428
  676    HE   ARG  88           HE       ARG  88   5.259  13.957   6.656
  677   HH11  ARG  88          HH11      ARG  88   2.953  11.306   5.958
  678   HH12  ARG  88          HH12      ARG  88   3.019  10.744   7.551
  679   HH21  ARG  88          HH21      ARG  88   5.237  13.006   8.903
  680   HH22  ARG  88          HH22      ARG  88   4.228  11.640   9.132
  681    H    GLU  89           HN       GLU  89   2.060  13.783   0.449
  682    HA   GLU  89           HA       GLU  89   2.504  15.844  -1.339
  683    HB2  GLU  89           HB2      GLU  89   0.985  13.289  -1.699
  684    HB3  GLU  89           HB1      GLU  89   1.179  14.460  -2.987
  685    HG2  GLU  89           HG2      GLU  89   3.737  14.178  -2.321
  686    HG3  GLU  89           HG1      GLU  89   3.140  12.601  -1.795
  687    H    LYS  90           HN       LYS  90   0.079  15.676   0.721
  688    HA   LYS  90           HA       LYS  90  -2.418  15.852  -0.119
  689    HB2  LYS  90           HB2      LYS  90  -2.961  17.403   1.676
  690    HB3  LYS  90           HB1      LYS  90  -1.832  16.146   2.168
  691    HG2  LYS  90           HG2      LYS  90   0.026  17.719   1.991
  692    HG3  LYS  90           HG1      LYS  90  -1.076  18.977   1.444
  693    HD2  LYS  90           HD2      LYS  90  -0.580  19.310   3.788
  694    HD3  LYS  90           HD1      LYS  90  -2.263  18.822   3.618
  695    HE2  LYS  90           HE2      LYS  90  -1.685  16.543   4.264
  696    HE3  LYS  90           HE1      LYS  90   0.018  16.989   4.364
  697    HZ1  LYS  90           HZ1      LYS  90  -1.033  16.957   6.545
  698    HZ2  LYS  90           HZ2      LYS  90  -2.161  18.115   6.043
  699    HZ3  LYS  90           HZ3      LYS  90  -0.526  18.520   6.145
  700    H    THR  91           HN       THR  91  -0.265  18.457  -1.162
  701    HA   THR  91           HA       THR  91  -2.247  20.287  -1.979
  702    HB   THR  91           HB       THR  91   0.366  19.634  -3.384
  703    HG1  THR  91           HG1      THR  91   0.065  21.514  -1.277
  704   HG21  THR  91          HG21      THR  91  -1.107  21.258  -4.527
  705   HG22  THR  91          HG22      THR  91   0.354  22.038  -3.926
  706   HG23  THR  91          HG23      THR  91  -1.169  22.231  -3.058
  707    H    GLN  92           HN       GLN  92  -0.841  17.356  -3.330
  708    HA   GLN  92           HA       GLN  92  -2.670  17.325  -5.622
  709    HB2  GLN  92           HB2      GLN  92  -0.512  15.328  -4.868
  710    HB3  GLN  92           HB1      GLN  92  -1.324  15.466  -6.418
  711    HG2  GLN  92           HG2      GLN  92  -0.223  17.605  -6.812
  712    HG3  GLN  92           HG1      GLN  92   0.568  17.488  -5.242
  713   HE21  GLN  92          HE21      GLN  92   2.606  17.466  -6.037
  714   HE22  GLN  92          HE22      GLN  92   3.275  16.143  -6.915
  715    H    ASN  93           HN       ASN  93  -4.343  17.180  -4.023
  716    HA   ASN  93           HA       ASN  93  -4.417  15.258  -1.956
  717    HB2  ASN  93           HB2      ASN  93  -5.694  17.561  -2.413
  718    HB3  ASN  93           HB1      ASN  93  -6.958  16.445  -2.902
  719   HD21  ASN  93          HD21      ASN  93  -5.013  17.575  -0.289
  720   HD22  ASN  93          HD22      ASN  93  -5.985  16.890   0.981
  721    H    PHE  94           HN       PHE  94  -4.939  14.775  -5.193
  722    HA   PHE  94           HA       PHE  94  -7.188  13.195  -5.438
  723    HB2  PHE  94           HB2      PHE  94  -5.943  13.982  -7.381
  724    HB3  PHE  94           HB1      PHE  94  -4.587  12.946  -6.961
  725    HD1  PHE  94           HD2      PHE  94  -8.118  12.928  -8.067
  726    HD2  PHE  94           HD1      PHE  94  -4.514  10.693  -7.683
  727    HE1  PHE  94           HE2      PHE  94  -9.089  11.130  -9.438
  728    HE2  PHE  94           HE1      PHE  94  -5.479   8.893  -9.053
  729    HZ   PHE  94           HZ       PHE  94  -7.771   9.111  -9.932
  730    H    LEU  95           HN       LEU  95  -3.877  12.037  -4.734
  731    HA   LEU  95           HA       LEU  95  -4.644   9.279  -4.546
  732    HB2  LEU  95           HB2      LEU  95  -2.202  10.741  -3.576
  733    HB3  LEU  95           HB1      LEU  95  -2.409   9.015  -3.429
  734    HG   LEU  95           HG       LEU  95  -2.328  10.484  -6.070
  735   HD11  LEU  95          HD11      LEU  95  -0.123   9.482  -6.258
  736   HD12  LEU  95          HD12      LEU  95  -0.225   8.936  -4.586
  737   HD13  LEU  95          HD13      LEU  95  -0.188  10.673  -4.954
  738   HD21  LEU  95          HD21      LEU  95  -3.485   8.368  -6.289
  739   HD22  LEU  95          HD22      LEU  95  -2.244   7.588  -5.303
  740   HD23  LEU  95          HD23      LEU  95  -1.820   8.183  -6.895
  741    H    ILE  96           HN       ILE  96  -4.593  11.925  -2.404
  742    HA   ILE  96           HA       ILE  96  -4.351  10.484   0.050
  743    HB   ILE  96           HB       ILE  96  -5.577  13.235  -0.161
  744   HG12  ILE  96          HG12      ILE  96  -3.610  13.305  -1.657
  745   HG13  ILE  96          HG11      ILE  96  -3.373  14.249  -0.194
  746   HG21  ILE  96          HG21      ILE  96  -4.435  13.604   1.949
  747   HG22  ILE  96          HG22      ILE  96  -3.609  12.067   1.794
  748   HG23  ILE  96          HG23      ILE  96  -5.363  12.097   2.055
  749   HD11  ILE  96          HD11      ILE  96  -1.986  12.486   0.717
  750   HD12  ILE  96          HD12      ILE  96  -1.369  13.063  -0.837
  751   HD13  ILE  96          HD13      ILE  96  -2.227  11.520  -0.744
  752    H    GLN  97           HN       GLN  97  -6.936  11.827  -1.898
  753    HA   GLN  97           HA       GLN  97  -9.061  11.052  -0.111
  754    HB2  GLN  97           HB2      GLN  97  -9.140  11.998  -2.974
  755    HB3  GLN  97           HB1      GLN  97 -10.531  11.821  -1.917
  756    HG2  GLN  97           HG2      GLN  97  -9.696  13.555  -0.474
  757    HG3  GLN  97           HG1      GLN  97  -8.229  13.685  -1.441
  758   HE21  GLN  97          HE21      GLN  97 -10.151  15.701  -0.838
  759   HE22  GLN  97          HE22      GLN  97 -10.786  16.269  -2.354
  760    H    LYS  98           HN       LYS  98  -7.459   9.800  -2.932
  761    HA   LYS  98           HA       LYS  98  -9.373   8.119  -3.949
  762    HB2  LYS  98           HB2      LYS  98  -7.329   8.622  -5.178
  763    HB3  LYS  98           HB1      LYS  98  -6.378   7.733  -4.006
  764    HG2  LYS  98           HG2      LYS  98  -6.518   6.295  -5.849
  765    HG3  LYS  98           HG1      LYS  98  -7.701   5.669  -4.717
  766    HD2  LYS  98           HD2      LYS  98  -8.264   7.308  -7.215
  767    HD3  LYS  98           HD1      LYS  98  -8.583   5.596  -6.991
  768    HE2  LYS  98           HE2      LYS  98 -10.153   6.320  -5.090
  769    HE3  LYS  98           HE1      LYS  98  -9.935   7.948  -5.732
  770    HZ1  LYS  98           HZ1      LYS  98 -10.852   7.084  -7.901
  771    HZ2  LYS  98           HZ2      LYS  98 -11.852   7.099  -6.526
  772    HZ3  LYS  98           HZ3      LYS  98 -11.268   5.661  -7.010
  773    H    ILE  99           HN       ILE  99  -7.024   7.353  -1.444
  774    HA   ILE  99           HA       ILE  99  -7.676   4.640  -1.286
  775    HB   ILE  99           HB       ILE  99  -5.609   5.423  -0.293
  776   HG12  ILE  99          HG12      ILE  99  -7.435   4.335   1.871
  777   HG13  ILE  99          HG11      ILE  99  -6.611   3.372   0.654
  778   HG21  ILE  99          HG21      ILE  99  -7.278   6.942   1.702
  779   HG22  ILE  99          HG22      ILE  99  -6.264   7.632   0.437
  780   HG23  ILE  99          HG23      ILE  99  -5.527   6.750   1.774
  781   HD11  ILE  99          HD11      ILE  99  -4.457   4.039   1.596
  782   HD12  ILE  99          HD12      ILE  99  -5.479   3.249   2.799
  783   HD13  ILE  99          HD13      ILE  99  -5.289   5.003   2.816
  784    H    THR 100           HN       THR 100  -9.124   7.423   0.370
  785    HA   THR 100           HA       THR 100 -10.831   5.750   1.918
  786    HB   THR 100           HB       THR 100 -11.937   8.117   2.308
  787    HG1  THR 100           HG1      THR 100 -10.645   9.093   0.584
  788   HG21  THR 100          HG21      THR 100 -10.269   8.537   4.073
  789   HG22  THR 100          HG22      THR 100  -9.181   7.373   3.315
  790   HG23  THR 100          HG23      THR 100 -10.713   6.831   4.001
  791    H    ASP 101           HN       ASP 101 -11.087   7.551  -1.089
  792    HA   ASP 101           HA       ASP 101 -13.857   7.463  -1.442
  793    HB2  ASP 101           HB2      ASP 101 -12.646   8.894  -2.912
  794    HB3  ASP 101           HB1      ASP 101 -11.571   7.599  -3.411
  795    H    GLU 102           HN       GLU 102 -11.366   5.148  -2.456
  796    HA   GLU 102           HA       GLU 102 -13.310   3.460  -3.593
  797    HB2  GLU 102           HB2      GLU 102 -10.469   2.835  -2.813
  798    HB3  GLU 102           HB1      GLU 102 -11.538   1.674  -3.585
  799    HG2  GLU 102           HG2      GLU 102 -10.427   4.228  -4.735
  800    HG3  GLU 102           HG1      GLU 102 -10.227   2.581  -5.301
  801    H    VAL 103           HN       VAL 103 -11.594   3.153  -0.498
  802    HA   VAL 103           HA       VAL 103 -12.567   0.695   0.256
  803    HB   VAL 103           HB       VAL 103 -11.866   2.994   2.094
  804   HG11  VAL 103          HG11      VAL 103 -13.284   1.394   3.300
  805   HG12  VAL 103          HG12      VAL 103 -11.615   1.308   3.865
  806   HG13  VAL 103          HG13      VAL 103 -12.243   0.069   2.778
  807   HG21  VAL 103          HG21      VAL 103  -9.774   1.752   2.362
  808   HG22  VAL 103          HG22      VAL 103 -10.046   2.230   0.683
  809   HG23  VAL 103          HG23      VAL 103 -10.340   0.563   1.190
  810    H    LEU 104           HN       LEU 104 -14.175   3.746   1.263
  811    HA   LEU 104           HA       LEU 104 -16.152   2.228   2.650
  812    HB2  LEU 104           HB2      LEU 104 -16.138   5.178   1.982
  813    HB3  LEU 104           HB1      LEU 104 -17.356   4.412   2.969
  814    HG   LEU 104           HG       LEU 104 -15.918   5.515   4.458
  815   HD11  LEU 104          HD11      LEU 104 -14.900   3.779   5.815
  816   HD12  LEU 104          HD12      LEU 104 -15.122   2.629   4.500
  817   HD13  LEU 104          HD13      LEU 104 -16.526   3.368   5.276
  818   HD21  LEU 104          HD21      LEU 104 -13.478   5.247   4.542
  819   HD22  LEU 104          HD22      LEU 104 -14.008   5.931   3.005
  820   HD23  LEU 104          HD23      LEU 104 -13.547   4.233   3.102
  821    H    LYS 105           HN       LYS 105 -15.930   3.425  -0.514
  822    HA   LYS 105           HA       LYS 105 -18.720   3.249  -1.232
  823    HB2  LYS 105           HB2      LYS 105 -17.209   4.834  -2.244
  824    HB3  LYS 105           HB1      LYS 105 -16.133   3.526  -2.686
  825    HG2  LYS 105           HG2      LYS 105 -17.786   2.737  -4.322
  826    HG3  LYS 105           HG1      LYS 105 -18.856   4.072  -3.868
  827    HD2  LYS 105           HD2      LYS 105 -17.581   4.648  -5.884
  828    HD3  LYS 105           HD1      LYS 105 -17.123   5.689  -4.536
  829    HE2  LYS 105           HE2      LYS 105 -15.151   4.183  -4.133
  830    HE3  LYS 105           HE1      LYS 105 -15.583   3.308  -5.604
  831    HZ1  LYS 105           HZ1      LYS 105 -13.865   4.885  -6.004
  832    HZ2  LYS 105           HZ2      LYS 105 -14.760   6.132  -5.322
  833    HZ3  LYS 105           HZ3      LYS 105 -15.254   5.449  -6.796
  834    H    LEU 106           HN       LEU 106 -15.892   1.290  -1.250
  835    HA   LEU 106           HA       LEU 106 -16.555  -0.652  -3.201
  836    HB2  LEU 106           HB2      LEU 106 -14.302   0.149  -2.128
  837    HB3  LEU 106           HB1      LEU 106 -14.666  -1.054  -0.932
  838    HG   LEU 106           HG       LEU 106 -14.557  -2.834  -2.612
  839   HD11  LEU 106          HD11      LEU 106 -15.352  -1.565  -4.571
  840   HD12  LEU 106          HD12      LEU 106 -13.790  -2.313  -4.890
  841   HD13  LEU 106          HD13      LEU 106 -13.882  -0.592  -4.527
  842   HD21  LEU 106          HD21      LEU 106 -12.516  -2.158  -1.454
  843   HD22  LEU 106          HD22      LEU 106 -12.208  -0.953  -2.702
  844   HD23  LEU 106          HD23      LEU 106 -12.175  -2.667  -3.108
  845    H    ARG 107           HN       ARG 107 -17.726  -0.181  -0.064
  846    HA   ARG 107           HA       ARG 107 -17.995  -2.637   1.194
  847    HB2  ARG 107           HB2      ARG 107 -18.936  -0.477   2.067
  848    HB3  ARG 107           HB1      ARG 107 -20.287  -0.674   0.956
  849    HG2  ARG 107           HG2      ARG 107 -20.372  -3.068   2.151
  850    HG3  ARG 107           HG1      ARG 107 -19.683  -2.135   3.468
  851    HD2  ARG 107           HD2      ARG 107 -22.268  -1.601   2.023
  852    HD3  ARG 107           HD1      ARG 107 -22.090  -2.239   3.648
  853    HE   ARG 107           HE       ARG 107 -21.236   0.461   2.880
  854   HH11  ARG 107          HH11      ARG 107 -22.500  -1.734   5.315
  855   HH12  ARG 107          HH12      ARG 107 -23.323  -0.588   6.241
  856   HH21  ARG 107          HH21      ARG 107 -22.281   2.187   4.191
  857   HH22  ARG 107          HH22      ARG 107 -23.156   1.764   5.589
  858    H    ASN 108           HN       ASN 108 -19.902  -1.473  -1.540
  859    HA   ASN 108           HA       ASN 108 -21.892  -3.490  -1.492
  860    HB2  ASN 108           HB2      ASN 108 -22.198  -1.385  -2.733
  861    HB3  ASN 108           HB1      ASN 108 -20.930  -1.859  -3.859
  862   HD21  ASN 108          HD21      ASN 108 -24.207  -2.460  -2.810
  863   HD22  ASN 108          HD22      ASN 108 -24.655  -3.386  -4.196
  864    H    ILE 109           HN       ILE 109 -18.711  -3.386  -2.773
  865    HA   ILE 109           HA       ILE 109 -18.839  -5.605  -4.474
  866    HB   ILE 109           HB       ILE 109 -16.617  -4.007  -3.239
  867   HG12  ILE 109          HG12      ILE 109 -15.969  -3.629  -5.625
  868   HG13  ILE 109          HG11      ILE 109 -17.348  -4.592  -6.116
  869   HG21  ILE 109          HG21      ILE 109 -14.898  -5.291  -4.336
  870   HG22  ILE 109          HG22      ILE 109 -16.086  -6.523  -4.788
  871   HG23  ILE 109          HG23      ILE 109 -15.719  -6.221  -3.083
  872   HD11  ILE 109          HD11      ILE 109 -18.851  -2.941  -5.129
  873   HD12  ILE 109          HD12      ILE 109 -17.782  -2.203  -6.323
  874   HD13  ILE 109          HD13      ILE 109 -17.468  -1.987  -4.602
  875    H    LYS 110           HN       LYS 110 -18.460  -5.282  -1.071
  876    HA   LYS 110           HA       LYS 110 -17.683  -8.023  -0.668
  877    HB2  LYS 110           HB2      LYS 110 -17.303  -6.108   1.009
  878    HB3  LYS 110           HB1      LYS 110 -19.018  -6.226   1.332
  879    HG2  LYS 110           HG2      LYS 110 -18.767  -8.581   1.976
  880    HG3  LYS 110           HG1      LYS 110 -17.029  -8.451   1.718
  881    HD2  LYS 110           HD2      LYS 110 -17.415  -8.219   4.051
  882    HD3  LYS 110           HD1      LYS 110 -17.011  -6.622   3.428
  883    HE2  LYS 110           HE2      LYS 110 -19.414  -6.065   3.361
  884    HE3  LYS 110           HE1      LYS 110 -19.782  -7.653   4.033
  885    HZ1  LYS 110           HZ1      LYS 110 -19.763  -6.031   5.787
  886    HZ2  LYS 110           HZ2      LYS 110 -18.280  -5.459   5.264
  887    HZ3  LYS 110           HZ3      LYS 110 -18.313  -6.938   5.989
  888    H    LEU 111           HN       LEU 111 -20.608  -6.079  -0.316
  889    HA   LEU 111           HA       LEU 111 -22.457  -7.940   0.638
  890    HB2  LEU 111           HB2      LEU 111 -23.012  -5.757  -1.364
  891    HB3  LEU 111           HB1      LEU 111 -24.183  -6.539  -0.330
  892    HG   LEU 111           HG       LEU 111 -21.950  -4.723   0.576
  893   HD11  LEU 111          HD11      LEU 111 -24.933  -4.301   0.510
  894   HD12  LEU 111          HD12      LEU 111 -23.782  -3.584  -0.605
  895   HD13  LEU 111          HD13      LEU 111 -23.731  -3.157   1.110
  896   HD21  LEU 111          HD21      LEU 111 -23.011  -4.860   2.786
  897   HD22  LEU 111          HD22      LEU 111 -22.429  -6.437   2.257
  898   HD23  LEU 111          HD23      LEU 111 -24.151  -6.056   2.167
  899    H    GLU 112           HN       GLU 112 -21.586  -7.265  -2.730
  900    HA   GLU 112           HA       GLU 112 -23.455  -8.941  -3.967
  901    HB2  GLU 112           HB2      GLU 112 -21.897  -7.157  -4.989
  902    HB3  GLU 112           HB1      GLU 112 -20.661  -8.395  -5.005
  903    HG2  GLU 112           HG2      GLU 112 -23.287  -8.523  -6.508
  904    HG3  GLU 112           HG1      GLU 112 -21.746  -8.050  -7.201
  905    H    HIS 113           HN       HIS 113 -20.377  -9.634  -2.518
  906    HA   HIS 113           HA       HIS 113 -20.505 -12.333  -3.582
  907    HB2  HIS 113           HB2      HIS 113 -18.189 -10.905  -2.266
  908    HB3  HIS 113           HB1      HIS 113 -18.131 -12.583  -2.833
  909    HD1  HIS 113           HD1      HIS 113 -17.790  -9.123  -4.029
  910    HD2  HIS 113           HD2      HIS 113 -18.736 -12.821  -5.677
  911    HE1  HIS 113           HE1      HIS 113 -17.669  -8.811  -6.505
  912    HE2  HIS 113           HE2      HIS 113 -19.002 -10.807  -7.166
  913    H    LEU 114           HN       LEU 114 -21.196 -10.672  -0.886
  914    HA   LEU 114           HA       LEU 114 -20.951 -12.732   1.053
  915    HB2  LEU 114           HB2      LEU 114 -20.684 -10.468   1.738
  916    HB3  LEU 114           HB1      LEU 114 -22.144  -9.978   0.941
  917    HG   LEU 114           HG       LEU 114 -22.145  -9.880   3.436
  918   HD11  LEU 114          HD11      LEU 114 -24.429 -10.700   3.702
  919   HD12  LEU 114          HD12      LEU 114 -24.280 -11.549   2.151
  920   HD13  LEU 114          HD13      LEU 114 -24.159  -9.787   2.208
  921   HD21  LEU 114          HD21      LEU 114 -20.954 -11.944   3.938
  922   HD22  LEU 114          HD22      LEU 114 -22.261 -12.893   3.230
  923   HD23  LEU 114          HD23      LEU 114 -22.545 -11.955   4.697
  924    H    LYS 115           HN       LYS 115 -23.473 -11.783  -1.254
  925    HA   LYS 115           HA       LYS 115 -25.243 -13.536   0.222
  926    HB2  LYS 115           HB2      LYS 115 -27.186 -12.494  -0.612
  927    HB3  LYS 115           HB1      LYS 115 -26.081 -11.147  -0.457
  928    HG2  LYS 115           HG2      LYS 115 -26.568 -12.589  -3.060
  929    HG3  LYS 115           HG1      LYS 115 -27.527 -11.216  -2.533
  930    HD2  LYS 115           HD2      LYS 115 -25.779  -9.733  -2.838
  931    HD3  LYS 115           HD1      LYS 115 -24.552 -10.991  -2.661
  932    HE2  LYS 115           HE2      LYS 115 -26.476 -10.977  -4.972
  933    HE3  LYS 115           HE1      LYS 115 -24.967 -10.070  -5.030
  934    HZ1  LYS 115           HZ1      LYS 115 -24.818 -12.411  -5.979
  935    HZ2  LYS 115           HZ2      LYS 115 -24.903 -12.972  -4.329
  936    HZ3  LYS 115           HZ3      LYS 115 -23.729 -11.948  -4.824
  Start of MODEL    5
    1    H    GLU  10           HT1      GLU  10 -21.976  -0.661   7.723
    2    HA   GLU  10           HA       GLU  10 -20.617   0.516   5.380
    3    HB2  GLU  10           HB2      GLU  10 -20.052   1.459   8.124
    4    HB3  GLU  10           HB1      GLU  10 -19.622   2.200   6.626
    5    HG2  GLU  10           HG2      GLU  10 -22.409   2.154   7.788
    6    HG3  GLU  10           HG1      GLU  10 -21.405   3.561   7.439
    7    H    GLU  11           HN       GLU  11 -20.613  -1.802   7.707
    8    HA   GLU  11           HA       GLU  11 -17.933  -2.466   8.016
    9    HB2  GLU  11           HB2      GLU  11 -20.132  -4.504   7.544
   10    HB3  GLU  11           HB1      GLU  11 -18.717  -4.659   8.563
   11    HG2  GLU  11           HG2      GLU  11 -20.560  -4.475  10.034
   12    HG3  GLU  11           HG1      GLU  11 -19.762  -2.906  10.081
   13    H    ASP  12           HN       ASP  12 -20.247  -2.870   5.473
   14    HA   ASP  12           HA       ASP  12 -18.877  -4.518   3.710
   15    HB2  ASP  12           HB2      ASP  12 -20.552  -3.584   2.052
   16    HB3  ASP  12           HB1      ASP  12 -21.249  -4.312   3.489
   17    H    LEU  13           HN       LEU  13 -18.709  -1.063   4.302
   18    HA   LEU  13           HA       LEU  13 -16.966  -0.667   1.980
   19    HB2  LEU  13           HB2      LEU  13 -17.393   1.467   4.183
   20    HB3  LEU  13           HB1      LEU  13 -16.558   1.616   2.684
   21    HG   LEU  13           HG       LEU  13 -18.679   1.627   1.512
   22   HD11  LEU  13          HD11      LEU  13 -19.751   0.098   3.270
   23   HD12  LEU  13          HD12      LEU  13 -20.682   1.491   2.709
   24   HD13  LEU  13          HD13      LEU  13 -19.797   1.591   4.237
   25   HD21  LEU  13          HD21      LEU  13 -18.783   3.378   3.933
   26   HD22  LEU  13          HD22      LEU  13 -19.396   3.730   2.316
   27   HD23  LEU  13          HD23      LEU  13 -17.657   3.638   2.625
   28    H    THR  14           HN       THR  14 -16.707  -1.766   5.137
   29    HA   THR  14           HA       THR  14 -14.084  -0.932   4.913
   30    HB   THR  14           HB       THR  14 -13.719  -1.108   7.441
   31    HG1  THR  14           HG1      THR  14 -16.550  -0.686   7.154
   32   HG21  THR  14          HG21      THR  14 -14.270   1.262   7.397
   33   HG22  THR  14          HG22      THR  14 -15.517   0.905   6.191
   34   HG23  THR  14          HG23      THR  14 -13.844   0.770   5.715
   35    H    GLU  15           HN       GLU  15 -15.403  -4.017   5.398
   36    HA   GLU  15           HA       GLU  15 -12.963  -5.370   5.802
   37    HB2  GLU  15           HB2      GLU  15 -15.205  -6.293   3.988
   38    HB3  GLU  15           HB1      GLU  15 -13.969  -7.302   4.707
   39    HG2  GLU  15           HG2      GLU  15 -14.925  -6.883   6.912
   40    HG3  GLU  15           HG1      GLU  15 -16.173  -5.867   6.180
   41    H    VAL  16           HN       VAL  16 -14.403  -3.922   3.072
   42    HA   VAL  16           HA       VAL  16 -12.968  -4.918   0.999
   43    HB   VAL  16           HB       VAL  16 -13.426  -2.917  -0.289
   44   HG11  VAL  16          HG11      VAL  16 -15.902  -3.285  -0.287
   45   HG12  VAL  16          HG12      VAL  16 -15.728  -4.219   1.180
   46   HG13  VAL  16          HG13      VAL  16 -15.005  -4.782  -0.327
   47   HG21  VAL  16          HG21      VAL  16 -14.933  -1.285   0.803
   48   HG22  VAL  16          HG22      VAL  16 -13.276  -1.444   1.474
   49   HG23  VAL  16          HG23      VAL  16 -14.588  -2.176   2.301
   50    H    LYS  17           HN       LYS  17 -11.727  -2.702   3.330
   51    HA   LYS  17           HA       LYS  17  -9.925  -1.383   1.682
   52    HB2  LYS  17           HB2      LYS  17 -10.313  -0.964   4.215
   53    HB3  LYS  17           HB1      LYS  17  -9.052  -2.170   4.466
   54    HG2  LYS  17           HG2      LYS  17  -7.528  -0.823   3.038
   55    HG3  LYS  17           HG1      LYS  17  -8.777   0.403   2.909
   56    HD2  LYS  17           HD2      LYS  17  -7.294   1.186   4.568
   57    HD3  LYS  17           HD1      LYS  17  -8.676   0.552   5.453
   58    HE2  LYS  17           HE2      LYS  17  -7.467  -1.490   5.944
   59    HE3  LYS  17           HE1      LYS  17  -6.114  -0.957   4.947
   60    HZ1  LYS  17           HZ1      LYS  17  -6.971   0.297   7.534
   61    HZ2  LYS  17           HZ2      LYS  17  -5.825   0.928   6.459
   62    HZ3  LYS  17           HZ3      LYS  17  -5.490  -0.447   7.161
   63    H    LYS  18           HN       LYS  18  -9.853  -4.677   2.703
   64    HA   LYS  18           HA       LYS  18  -7.174  -5.474   2.044
   65    HB2  LYS  18           HB2      LYS  18  -8.897  -6.899   3.163
   66    HB3  LYS  18           HB1      LYS  18  -9.839  -6.892   1.692
   67    HG2  LYS  18           HG2      LYS  18  -8.776  -9.010   1.886
   68    HG3  LYS  18           HG1      LYS  18  -7.952  -8.149   0.589
   69    HD2  LYS  18           HD2      LYS  18  -6.793  -7.830   3.289
   70    HD3  LYS  18           HD1      LYS  18  -6.710  -9.456   2.627
   71    HE2  LYS  18           HE2      LYS  18  -5.627  -6.954   1.269
   72    HE3  LYS  18           HE1      LYS  18  -4.701  -8.149   2.162
   73    HZ1  LYS  18           HZ1      LYS  18  -5.525  -9.831   0.444
   74    HZ2  LYS  18           HZ2      LYS  18  -4.462  -8.628  -0.043
   75    HZ3  LYS  18           HZ3      LYS  18  -6.023  -8.475  -0.481
   76    H    ASP  19           HN       ASP  19 -10.144  -5.496   0.121
   77    HA   ASP  19           HA       ASP  19  -9.127  -6.099  -2.394
   78    HB2  ASP  19           HB2      ASP  19 -11.535  -4.355  -1.830
   79    HB3  ASP  19           HB1      ASP  19 -11.280  -5.431  -3.192
   80    H    ALA  20           HN       ALA  20  -9.784  -3.067  -0.760
   81    HA   ALA  20           HA       ALA  20  -9.229  -1.327  -2.917
   82    HB1  ALA  20           HB1      ALA  20 -10.503  -0.652  -0.897
   83    HB2  ALA  20           HB2      ALA  20  -9.209   0.469  -1.316
   84    HB3  ALA  20           HB3      ALA  20  -8.989  -0.661   0.015
   85    H    LEU  21           HN       LEU  21  -7.169  -2.847  -0.563
   86    HA   LEU  21           HA       LEU  21  -4.936  -1.181  -1.204
   87    HB2  LEU  21           HB2      LEU  21  -5.047  -3.767   0.310
   88    HB3  LEU  21           HB1      LEU  21  -3.588  -2.805   0.124
   89    HG   LEU  21           HG       LEU  21  -6.095  -2.110   1.634
   90   HD11  LEU  21          HD11      LEU  21  -3.282  -2.599   2.503
   91   HD12  LEU  21          HD12      LEU  21  -4.707  -3.591   2.821
   92   HD13  LEU  21          HD13      LEU  21  -4.570  -1.979   3.528
   93   HD21  LEU  21          HD21      LEU  21  -5.279  -0.086   0.538
   94   HD22  LEU  21          HD22      LEU  21  -3.671  -0.396   1.213
   95   HD23  LEU  21          HD23      LEU  21  -5.016  -0.026   2.282
   96    H    GLU  22           HN       GLU  22  -6.363  -3.960  -2.626
   97    HA   GLU  22           HA       GLU  22  -4.101  -4.941  -4.008
   98    HB2  GLU  22           HB2      GLU  22  -6.898  -4.788  -5.179
   99    HB3  GLU  22           HB1      GLU  22  -5.643  -5.945  -5.568
  100    HG2  GLU  22           HG2      GLU  22  -7.256  -5.802  -3.035
  101    HG3  GLU  22           HG1      GLU  22  -7.437  -6.995  -4.315
  102    H    ASN  23           HN       ASN  23  -6.536  -2.489  -4.638
  103    HA   ASN  23           HA       ASN  23  -5.625  -1.462  -7.074
  104    HB2  ASN  23           HB2      ASN  23  -7.153  -0.092  -4.836
  105    HB3  ASN  23           HB1      ASN  23  -6.815   0.677  -6.380
  106   HD21  ASN  23          HD21      ASN  23  -9.077   0.901  -6.809
  107   HD22  ASN  23          HD22      ASN  23  -9.996  -0.486  -7.245
  108    H    LEU  24           HN       LEU  24  -4.805  -0.524  -3.750
  109    HA   LEU  24           HA       LEU  24  -3.044   1.575  -4.347
  110    HB2  LEU  24           HB2      LEU  24  -3.361  -0.199  -2.050
  111    HB3  LEU  24           HB1      LEU  24  -1.812   0.615  -2.184
  112    HG   LEU  24           HG       LEU  24  -3.106   2.758  -2.363
  113   HD11  LEU  24          HD11      LEU  24  -5.351   2.746  -1.397
  114   HD12  LEU  24          HD12      LEU  24  -5.384   0.981  -1.590
  115   HD13  LEU  24          HD13      LEU  24  -5.181   2.048  -2.995
  116   HD21  LEU  24          HD21      LEU  24  -1.956   2.092  -0.404
  117   HD22  LEU  24          HD22      LEU  24  -3.362   1.164   0.138
  118   HD23  LEU  24          HD23      LEU  24  -3.455   2.933   0.014
  119    H    ARG  25           HN       ARG  25  -2.309  -1.852  -3.961
  120    HA   ARG  25           HA       ARG  25   0.435  -1.688  -4.389
  121    HB2  ARG  25           HB2      ARG  25  -0.522  -3.635  -3.544
  122    HB3  ARG  25           HB1      ARG  25  -1.533  -3.920  -4.973
  123    HG2  ARG  25           HG2      ARG  25   0.903  -3.950  -6.131
  124    HG3  ARG  25           HG1      ARG  25   1.358  -4.503  -4.522
  125    HD2  ARG  25           HD2      ARG  25  -0.846  -5.775  -6.154
  126    HD3  ARG  25           HD1      ARG  25   0.823  -6.299  -6.235
  127    HE   ARG  25           HE       ARG  25   0.636  -7.132  -4.013
  128   HH11  ARG  25          HH11      ARG  25  -2.518  -5.951  -5.175
  129   HH12  ARG  25          HH12      ARG  25  -3.373  -7.053  -4.173
  130   HH21  ARG  25          HH21      ARG  25  -0.491  -8.528  -2.815
  131   HH22  ARG  25          HH22      ARG  25  -2.227  -8.512  -2.740
  132    H    VAL  26           HN       VAL  26  -2.166  -1.445  -6.677
  133    HA   VAL  26           HA       VAL  26  -0.401  -1.778  -8.961
  134    HB   VAL  26           HB       VAL  26  -3.354  -1.099  -8.898
  135   HG11  VAL  26          HG11      VAL  26  -1.589  -1.879 -11.227
  136   HG12  VAL  26          HG12      VAL  26  -2.314  -0.298 -10.949
  137   HG13  VAL  26          HG13      VAL  26  -3.342  -1.686 -11.296
  138   HG21  VAL  26          HG21      VAL  26  -2.927  -3.327  -8.023
  139   HG22  VAL  26          HG22      VAL  26  -1.946  -3.719  -9.432
  140   HG23  VAL  26          HG23      VAL  26  -3.680  -3.445  -9.614
  141    H    TYR  27           HN       TYR  27  -2.671   0.853  -7.964
  142    HA   TYR  27           HA       TYR  27  -1.360   2.574  -9.851
  143    HB2  TYR  27           HB2      TYR  27  -2.947   4.376  -9.174
  144    HB3  TYR  27           HB1      TYR  27  -3.725   2.905  -9.716
  145    HD1  TYR  27           HD2      TYR  27  -2.395   3.837  -6.312
  146    HD2  TYR  27           HD1      TYR  27  -5.794   2.897  -8.697
  147    HE1  TYR  27           HE2      TYR  27  -3.725   3.814  -4.330
  148    HE2  TYR  27           HE1      TYR  27  -7.203   2.925  -6.694
  149    HH   TYR  27           HH       TYR  27  -6.971   2.656  -4.272
  150    H    LEU  28           HN       LEU  28  -1.028   2.140  -6.436
  151    HA   LEU  28           HA       LEU  28   0.233   4.663  -6.171
  152    HB2  LEU  28           HB2      LEU  28  -0.317   2.420  -4.377
  153    HB3  LEU  28           HB1      LEU  28   1.114   3.387  -3.906
  154    HG   LEU  28           HG       LEU  28  -1.852   3.919  -3.921
  155   HD11  LEU  28          HD11      LEU  28  -0.814   3.015  -1.951
  156   HD12  LEU  28          HD12      LEU  28  -1.408   4.652  -1.670
  157   HD13  LEU  28          HD13      LEU  28   0.318   4.366  -1.906
  158   HD21  LEU  28          HD21      LEU  28  -0.957   5.856  -5.092
  159   HD22  LEU  28          HD22      LEU  28   0.325   5.997  -3.891
  160   HD23  LEU  28          HD23      LEU  28  -1.350   6.296  -3.425
  161    H    CYS  29           HN       CYS  29   1.302   1.404  -6.781
  162    HA   CYS  29           HA       CYS  29   4.089   1.822  -6.548
  163    HB2  CYS  29           HB2      CYS  29   3.187  -0.428  -6.672
  164    HB3  CYS  29           HB1      CYS  29   2.544  -0.124  -8.283
  165    HG   CYS  29           HG       CYS  29   5.515   0.597  -8.673
  166    H    GLU  30           HN       GLU  30   1.901   3.016  -8.815
  167    HA   GLU  30           HA       GLU  30   3.606   3.279 -11.065
  168    HB2  GLU  30           HB2      GLU  30   0.916   3.609 -10.533
  169    HB3  GLU  30           HB1      GLU  30   1.468   5.264 -10.707
  170    HG2  GLU  30           HG2      GLU  30   1.784   3.075 -12.749
  171    HG3  GLU  30           HG1      GLU  30   0.584   4.362 -12.795
  172    H    LYS  31           HN       LYS  31   3.031   5.097  -8.126
  173    HA   LYS  31           HA       LYS  31   5.032   6.999  -9.028
  174    HB2  LYS  31           HB2      LYS  31   2.506   7.772  -7.544
  175    HB3  LYS  31           HB1      LYS  31   3.915   8.805  -7.694
  176    HG2  LYS  31           HG2      LYS  31   2.545   7.608 -10.072
  177    HG3  LYS  31           HG1      LYS  31   2.092   9.166  -9.366
  178    HD2  LYS  31           HD2      LYS  31   4.104  10.106  -9.783
  179    HD3  LYS  31           HD1      LYS  31   4.957   8.603 -10.046
  180    HE2  LYS  31           HE2      LYS  31   2.827   9.706 -11.893
  181    HE3  LYS  31           HE1      LYS  31   4.562   9.864 -12.160
  182    HZ1  LYS  31           HZ1      LYS  31   4.595   7.306 -12.086
  183    HZ2  LYS  31           HZ2      LYS  31   3.873   7.990 -13.430
  184    HZ3  LYS  31           HZ3      LYS  31   2.940   7.339 -12.295
  185    H    ILE  32           HN       ILE  32   4.030   5.096  -6.295
  186    HA   ILE  32           HA       ILE  32   5.946   6.447  -4.635
  187    HB   ILE  32           HB       ILE  32   3.932   5.568  -3.477
  188   HG12  ILE  32          HG12      ILE  32   6.505   4.211  -2.639
  189   HG13  ILE  32          HG11      ILE  32   5.934   5.805  -2.137
  190   HG21  ILE  32          HG21      ILE  32   3.605   3.164  -3.081
  191   HG22  ILE  32          HG22      ILE  32   4.913   2.805  -4.194
  192   HG23  ILE  32          HG23      ILE  32   3.439   3.581  -4.790
  193   HD11  ILE  32          HD11      ILE  32   5.557   4.244  -0.348
  194   HD12  ILE  32          HD12      ILE  32   4.764   3.128  -1.459
  195   HD13  ILE  32          HD13      ILE  32   3.991   4.660  -1.072
  196    H    ILE  33           HN       ILE  33   7.996   6.185  -5.316
  197    HA   ILE  33           HA       ILE  33   8.852   3.468  -5.828
  198    HB   ILE  33           HB       ILE  33  10.555   5.964  -5.436
  199   HG12  ILE  33          HG12      ILE  33   9.159   6.234  -7.420
  200   HG13  ILE  33          HG11      ILE  33  10.828   5.960  -7.894
  201   HG21  ILE  33          HG21      ILE  33  12.379   4.692  -6.484
  202   HG22  ILE  33          HG22      ILE  33  11.344   3.269  -6.541
  203   HG23  ILE  33          HG23      ILE  33  11.828   3.940  -4.986
  204   HD11  ILE  33          HD11      ILE  33  10.302   3.642  -8.452
  205   HD12  ILE  33          HD12      ILE  33   9.276   4.764  -9.340
  206   HD13  ILE  33          HD13      ILE  33   8.630   3.896  -7.951
  207    H    ALA  34           HN       ALA  34   9.283   2.155  -4.283
  208    HA   ALA  34           HA       ALA  34   9.403   2.993  -1.546
  209    HB1  ALA  34           HB1      ALA  34   9.692   0.298  -2.820
  210    HB2  ALA  34           HB2      ALA  34   8.225   0.991  -2.088
  211    HB3  ALA  34           HB3      ALA  34   9.651   0.626  -1.093
  212    H    GLU  35           HN       GLU  35  11.434   1.333  -3.778
  213    HA   GLU  35           HA       GLU  35  13.581   0.481  -2.591
  214    HB2  GLU  35           HB2      GLU  35  13.212   0.363  -4.935
  215    HB3  GLU  35           HB1      GLU  35  13.473   2.076  -5.110
  216    HG2  GLU  35           HG2      GLU  35  15.796   1.868  -4.204
  217    HG3  GLU  35           HG1      GLU  35  15.638   0.126  -4.283
  218    H    ARG  36           HN       ARG  36  13.441   3.826  -3.695
  219    HA   ARG  36           HA       ARG  36  15.974   4.314  -2.543
  220    HB2  ARG  36           HB2      ARG  36  14.225   6.157  -4.138
  221    HB3  ARG  36           HB1      ARG  36  15.877   6.541  -3.611
  222    HG2  ARG  36           HG2      ARG  36  16.723   4.547  -4.686
  223    HG3  ARG  36           HG1      ARG  36  15.103   4.116  -5.190
  224    HD2  ARG  36           HD2      ARG  36  15.060   6.140  -6.570
  225    HD3  ARG  36           HD1      ARG  36  16.757   6.435  -6.137
  226    HE   ARG  36           HE       ARG  36  16.157   3.785  -7.092
  227   HH11  ARG  36          HH11      ARG  36  17.302   6.992  -8.066
  228   HH12  ARG  36          HH12      ARG  36  18.111   6.446  -9.461
  229   HH21  ARG  36          HH21      ARG  36  17.249   3.028  -8.929
  230   HH22  ARG  36          HH22      ARG  36  18.084   4.069  -9.990
  231    H    HIS  37           HN       HIS  37  13.081   4.362  -1.208
  232    HA   HIS  37           HA       HIS  37  13.710   6.411   0.751
  233    HB2  HIS  37           HB2      HIS  37  11.316   4.617   0.359
  234    HB3  HIS  37           HB1      HIS  37  11.544   5.513   1.849
  235    HD1  HIS  37           HD1      HIS  37  10.040   5.813  -1.484
  236    HD2  HIS  37           HD2      HIS  37  11.600   8.427   1.373
  237    HE1  HIS  37           HE1      HIS  37   9.065   8.046  -2.007
  238    HE2  HIS  37           HE2      HIS  37   9.836   9.554  -0.161
  239    H    PHE  38           HN       PHE  38  14.663   3.331   0.168
  240    HA   PHE  38           HA       PHE  38  14.229   1.521   2.091
  241    HB2  PHE  38           HB2      PHE  38  15.607   1.113   0.158
  242    HB3  PHE  38           HB1      PHE  38  16.869   2.147   0.790
  243    HD1  PHE  38           HD2      PHE  38  15.222  -1.130   1.079
  244    HD2  PHE  38           HD1      PHE  38  18.435   1.321   2.432
  245    HE1  PHE  38           HE2      PHE  38  16.313  -3.095   2.067
  246    HE2  PHE  38           HE1      PHE  38  19.526  -0.646   3.414
  247    HZ   PHE  38           HZ       PHE  38  18.464  -2.858   3.237
  248    H    ASP  39           HN       ASP  39  16.596   4.166   2.586
  249    HA   ASP  39           HA       ASP  39  17.521   3.036   5.057
  250    HB2  ASP  39           HB2      ASP  39  18.938   5.024   5.227
  251    HB3  ASP  39           HB1      ASP  39  19.027   4.402   3.585
  252    H    HIS  40           HN       HIS  40  15.478   5.676   4.084
  253    HA   HIS  40           HA       HIS  40  14.912   6.475   6.805
  254    HB2  HIS  40           HB2      HIS  40  13.521   7.415   4.269
  255    HB3  HIS  40           HB1      HIS  40  13.353   8.141   5.862
  256    HD1  HIS  40           HD1      HIS  40  15.744   9.102   6.863
  257    HD2  HIS  40           HD2      HIS  40  15.500   8.476   2.773
  258    HE1  HIS  40           HE1      HIS  40  17.690  10.327   5.879
  259    HE2  HIS  40           HE2      HIS  40  17.736   9.181   3.668
  260    H    LEU  41           HN       LEU  41  13.670   4.290   4.612
  261    HA   LEU  41           HA       LEU  41  11.029   4.034   5.611
  262    HB2  LEU  41           HB2      LEU  41  11.891   3.360   3.351
  263    HB3  LEU  41           HB1      LEU  41  12.683   2.001   4.109
  264    HG   LEU  41           HG       LEU  41   9.761   2.217   4.547
  265   HD11  LEU  41          HD11      LEU  41  10.933   1.437   1.863
  266   HD12  LEU  41          HD12      LEU  41  10.061   2.926   2.245
  267   HD13  LEU  41          HD13      LEU  41   9.233   1.382   2.357
  268   HD21  LEU  41          HD21      LEU  41   9.887  -0.183   4.219
  269   HD22  LEU  41          HD22      LEU  41  11.092   0.324   5.398
  270   HD23  LEU  41          HD23      LEU  41  11.583  -0.070   3.747
  271    H    ARG  42           HN       ARG  42  14.038   3.175   6.786
  272    HA   ARG  42           HA       ARG  42  13.310   0.928   8.435
  273    HB2  ARG  42           HB2      ARG  42  15.676   1.878   7.601
  274    HB3  ARG  42           HB1      ARG  42  15.595   2.708   9.158
  275    HG2  ARG  42           HG2      ARG  42  16.848   0.626   9.261
  276    HG3  ARG  42           HG1      ARG  42  15.391   0.536  10.256
  277    HD2  ARG  42           HD2      ARG  42  15.890  -1.485   8.778
  278    HD3  ARG  42           HD1      ARG  42  14.262  -0.833   8.655
  279    HE   ARG  42           HE       ARG  42  15.869   0.384   6.731
  280   HH11  ARG  42          HH11      ARG  42  14.691  -2.936   7.382
  281   HH12  ARG  42          HH12      ARG  42  14.498  -3.287   5.726
  282   HH21  ARG  42          HH21      ARG  42  15.511  -0.149   4.501
  283   HH22  ARG  42          HH22      ARG  42  14.975  -1.727   4.088
  284    H    ALA  43           HN       ALA  43  12.398   4.086   8.456
  285    HA   ALA  43           HA       ALA  43  12.164   4.782  11.144
  286    HB1  ALA  43           HB1      ALA  43  10.293   5.188   8.820
  287    HB2  ALA  43           HB2      ALA  43  11.543   6.317   9.344
  288    HB3  ALA  43           HB3      ALA  43  10.126   6.003  10.369
  289    H    LYS  44           HN       LYS  44  10.043   2.909   8.973
  290    HA   LYS  44           HA       LYS  44   8.262   2.383  11.213
  291    HB2  LYS  44           HB2      LYS  44   7.977   1.719   8.287
  292    HB3  LYS  44           HB1      LYS  44   6.756   1.410   9.508
  293    HG2  LYS  44           HG2      LYS  44   7.771   4.115   8.610
  294    HG3  LYS  44           HG1      LYS  44   6.196   3.409   8.258
  295    HD2  LYS  44           HD2      LYS  44   5.727   3.391  10.718
  296    HD3  LYS  44           HD1      LYS  44   7.254   4.227  10.962
  297    HE2  LYS  44           HE2      LYS  44   5.421   5.813  10.986
  298    HE3  LYS  44           HE1      LYS  44   6.452   6.099   9.586
  299    HZ1  LYS  44           HZ1      LYS  44   4.138   6.255   9.038
  300    HZ2  LYS  44           HZ2      LYS  44   3.825   4.681   9.544
  301    HZ3  LYS  44           HZ3      LYS  44   4.803   4.967   8.201
  302    H    LYS  45           HN       LYS  45  10.656   0.719   9.347
  303    HA   LYS  45           HA       LYS  45  11.381  -1.474   9.270
  304    HB2  LYS  45           HB2      LYS  45  10.879  -1.173  12.229
  305    HB3  LYS  45           HB1      LYS  45  11.831  -2.462  11.512
  306    HG2  LYS  45           HG2      LYS  45  13.444  -0.856  10.669
  307    HG3  LYS  45           HG1      LYS  45  12.419   0.446  11.207
  308    HD2  LYS  45           HD2      LYS  45  13.654  -1.549  13.103
  309    HD3  LYS  45           HD1      LYS  45  14.335   0.031  12.720
  310    HE2  LYS  45           HE2      LYS  45  11.644  -0.486  14.011
  311    HE3  LYS  45           HE1      LYS  45  13.081   0.159  14.790
  312    HZ1  LYS  45           HZ1      LYS  45  11.536   1.500  12.620
  313    HZ2  LYS  45           HZ2      LYS  45  12.957   2.084  13.246
  314    HZ3  LYS  45           HZ3      LYS  45  11.589   1.968  14.232
  315    H    ILE  46           HN       ILE  46   9.186  -1.809   8.206
  316    HA   ILE  46           HA       ILE  46   7.145  -3.211   9.557
  317    HB   ILE  46           HB       ILE  46   7.552  -3.725   6.661
  318   HG12  ILE  46          HG12      ILE  46   6.145  -1.517   6.362
  319   HG13  ILE  46          HG11      ILE  46   7.044  -1.034   7.809
  320   HG21  ILE  46          HG21      ILE  46   5.062  -3.096   8.215
  321   HG22  ILE  46          HG22      ILE  46   5.689  -4.702   7.811
  322   HG23  ILE  46          HG23      ILE  46   5.172  -3.629   6.525
  323   HD11  ILE  46          HD11      ILE  46   9.121  -1.724   6.600
  324   HD12  ILE  46          HD12      ILE  46   8.311  -0.293   5.974
  325   HD13  ILE  46          HD13      ILE  46   8.149  -1.853   5.139
  326    H    LEU  47           HN       LEU  47   9.952  -4.066   7.755
  327    HA   LEU  47           HA       LEU  47   9.351  -6.880   7.949
  328    HB2  LEU  47           HB2      LEU  47  10.053  -5.278   5.548
  329    HB3  LEU  47           HB1      LEU  47  10.102  -7.035   5.588
  330    HG   LEU  47           HG       LEU  47   7.611  -5.696   6.478
  331   HD11  LEU  47          HD11      LEU  47   8.264  -4.564   4.498
  332   HD12  LEU  47          HD12      LEU  47   6.795  -5.522   4.310
  333   HD13  LEU  47          HD13      LEU  47   8.342  -6.097   3.601
  334   HD21  LEU  47          HD21      LEU  47   8.180  -8.216   4.929
  335   HD22  LEU  47          HD22      LEU  47   6.596  -7.640   5.460
  336   HD23  LEU  47          HD23      LEU  47   7.806  -8.101   6.654
  337    H    SER  48           HN       SER  48  11.612  -7.783   6.553
  338    HA   SER  48           HA       SER  48  13.598  -7.278   8.587
  339    HB2  SER  48           HB2      SER  48  14.814  -9.153   7.548
  340    HB3  SER  48           HB1      SER  48  13.142  -9.596   7.886
  341    HG   SER  48           HG       SER  48  12.695  -9.103   5.647
  342    H    ARG  49           HN       ARG  49  15.946  -7.473   7.530
  343    HA   ARG  49           HA       ARG  49  16.462  -4.993   6.147
  344    HB2  ARG  49           HB2      ARG  49  17.973  -6.086   7.897
  345    HB3  ARG  49           HB1      ARG  49  18.139  -7.395   6.776
  346    HG2  ARG  49           HG2      ARG  49  19.179  -5.810   5.177
  347    HG3  ARG  49           HG1      ARG  49  19.192  -4.622   6.494
  348    HD2  ARG  49           HD2      ARG  49  20.261  -7.376   6.678
  349    HD3  ARG  49           HD1      ARG  49  21.314  -5.980   6.334
  350    HE   ARG  49           HE       ARG  49  20.710  -5.202   8.555
  351   HH11  ARG  49          HH11      ARG  49  19.897  -8.638   7.889
  352   HH12  ARG  49          HH12      ARG  49  20.105  -9.169   9.451
  353   HH21  ARG  49          HH21      ARG  49  21.000  -5.967  10.821
  354   HH22  ARG  49          HH22      ARG  49  20.749  -7.614  11.182
  355    H    GLU  50           HN       GLU  50  16.562  -8.400   5.721
  356    HA   GLU  50           HA       GLU  50  17.714  -8.706   3.261
  357    HB2  GLU  50           HB2      GLU  50  15.830 -10.470   4.835
  358    HB3  GLU  50           HB1      GLU  50  16.711 -10.992   3.413
  359    HG2  GLU  50           HG2      GLU  50  17.763 -11.747   5.522
  360    HG3  GLU  50           HG1      GLU  50  18.831 -10.736   4.566
  361    H    ASP  51           HN       ASP  51  14.220  -8.997   4.086
  362    HA   ASP  51           HA       ASP  51  13.555  -9.313   1.347
  363    HB2  ASP  51           HB2      ASP  51  11.239  -9.375   1.917
  364    HB3  ASP  51           HB1      ASP  51  12.096 -10.184   3.218
  365    H    THR  52           HN       THR  52  13.636  -6.447   3.366
  366    HA   THR  52           HA       THR  52  12.332  -4.850   1.415
  367    HB   THR  52           HB       THR  52  13.320  -2.838   2.649
  368    HG1  THR  52           HG1      THR  52  14.113  -4.821   4.498
  369   HG21  THR  52          HG21      THR  52  11.860  -3.093   4.652
  370   HG22  THR  52          HG22      THR  52  11.710  -4.805   4.305
  371   HG23  THR  52          HG23      THR  52  11.041  -3.619   3.188
  372    H    ARG  53           HN       ARG  53  15.631  -5.833   1.808
  373    HA   ARG  53           HA       ARG  53  16.610  -3.925  -0.137
  374    HB2  ARG  53           HB2      ARG  53  17.988  -5.013   1.764
  375    HB3  ARG  53           HB1      ARG  53  18.025  -6.460   0.776
  376    HG2  ARG  53           HG2      ARG  53  19.124  -3.779  -0.100
  377    HG3  ARG  53           HG1      ARG  53  20.089  -5.032   0.662
  378    HD2  ARG  53           HD2      ARG  53  19.808  -6.489  -1.193
  379    HD3  ARG  53           HD1      ARG  53  18.548  -5.480  -1.892
  380    HE   ARG  53           HE       ARG  53  21.409  -4.854  -1.768
  381   HH11  ARG  53          HH11      ARG  53  18.203  -4.324  -3.179
  382   HH12  ARG  53          HH12      ARG  53  18.699  -3.301  -4.432
  383   HH21  ARG  53          HH21      ARG  53  22.174  -3.437  -3.581
  384   HH22  ARG  53          HH22      ARG  53  21.030  -2.815  -4.674
  385    H    GLU  54           HN       GLU  54  15.452  -7.157  -0.007
  386    HA   GLU  54           HA       GLU  54  16.188  -8.262  -2.445
  387    HB2  GLU  54           HB2      GLU  54  14.996  -9.190  -0.301
  388    HB3  GLU  54           HB1      GLU  54  13.521  -8.772  -1.146
  389    HG2  GLU  54           HG2      GLU  54  15.613 -10.773  -2.011
  390    HG3  GLU  54           HG1      GLU  54  14.013 -11.123  -1.375
  391    H    ILE  55           HN       ILE  55  13.568  -6.059  -1.585
  392    HA   ILE  55           HA       ILE  55  11.927  -6.290  -3.838
  393    HB   ILE  55           HB       ILE  55  10.742  -4.300  -3.086
  394   HG12  ILE  55          HG12      ILE  55  13.336  -3.308  -1.826
  395   HG13  ILE  55          HG11      ILE  55  12.696  -2.703  -3.346
  396   HG21  ILE  55          HG21      ILE  55  10.606  -4.391  -0.775
  397   HG22  ILE  55          HG22      ILE  55  12.167  -5.196  -0.677
  398   HG23  ILE  55          HG23      ILE  55  10.815  -6.008  -1.463
  399   HD11  ILE  55          HD11      ILE  55  10.722  -1.830  -2.143
  400   HD12  ILE  55          HD12      ILE  55  12.213  -1.161  -1.495
  401   HD13  ILE  55          HD13      ILE  55  11.383  -2.437  -0.631
  402    H    SER  56           HN       SER  56  14.861  -4.516  -3.412
  403    HA   SER  56           HA       SER  56  14.724  -3.206  -5.992
  404    HB2  SER  56           HB2      SER  56  15.512  -1.856  -4.215
  405    HB3  SER  56           HB1      SER  56  16.603  -3.100  -3.638
  406    HG   SER  56           HG       SER  56  16.898  -1.288  -5.758
  407    H    CYS  57           HN       CYS  57  15.942  -6.149  -4.716
  408    HA   CYS  57           HA       CYS  57  18.203  -6.263  -6.531
  409    HB2  CYS  57           HB2      CYS  57  18.428  -7.172  -4.245
  410    HB3  CYS  57           HB1      CYS  57  17.168  -8.348  -4.598
  411    HG   CYS  57           HG       CYS  57  19.160  -8.820  -6.952
  412    H    ARG  58           HN       ARG  58  14.995  -7.460  -6.278
  413    HA   ARG  58           HA       ARG  58  15.377  -9.354  -8.427
  414    HB2  ARG  58           HB2      ARG  58  13.922  -9.579  -6.207
  415    HB3  ARG  58           HB1      ARG  58  12.676  -8.951  -7.278
  416    HG2  ARG  58           HG2      ARG  58  12.685 -11.419  -7.211
  417    HG3  ARG  58           HG1      ARG  58  13.019 -10.794  -8.827
  418    HD2  ARG  58           HD2      ARG  58  14.489 -12.713  -8.054
  419    HD3  ARG  58           HD1      ARG  58  15.356 -11.306  -8.650
  420    HE   ARG  58           HE       ARG  58  14.899 -11.230  -5.813
  421   HH11  ARG  58          HH11      ARG  58  17.189 -12.515  -8.202
  422   HH12  ARG  58          HH12      ARG  58  18.478 -12.540  -7.080
  423   HH21  ARG  58          HH21      ARG  58  16.480 -11.235  -4.462
  424   HH22  ARG  58          HH22      ARG  58  18.091 -11.753  -4.780
  425    H    THR  59           HN       THR  59  15.308  -6.384  -8.695
  426    HA   THR  59           HA       THR  59  13.187  -5.089  -9.612
  427    HB   THR  59           HB       THR  59  16.041  -4.933 -10.501
  428    HG1  THR  59           HG1      THR  59  15.880  -4.068  -8.527
  429   HG21  THR  59          HG21      THR  59  13.802  -3.093 -11.368
  430   HG22  THR  59          HG22      THR  59  14.839  -4.056 -12.420
  431   HG23  THR  59          HG23      THR  59  15.517  -2.701 -11.512
  432    H    SER  60           HN       SER  60  11.884  -4.919 -11.149
  433    HA   SER  60           HA       SER  60  12.326  -5.378 -13.881
  434    HB2  SER  60           HB2      SER  60   9.918  -6.777 -12.596
  435    HB3  SER  60           HB1      SER  60  10.509  -6.958 -14.236
  436    HG   SER  60           HG       SER  60  12.512  -7.693 -12.822
  437    H    SER  61           HN       SER  61   9.543  -4.722 -14.529
  438    HA   SER  61           HA       SER  61   9.625  -2.001 -14.033
  439    HB2  SER  61           HB2      SER  61   8.412  -2.924 -15.917
  440    HB3  SER  61           HB1      SER  61   7.258  -3.691 -14.832
  441    HG   SER  61           HG       SER  61   7.584  -0.953 -15.427
  442    H    ARG  62           HN       ARG  62   6.854  -3.897 -12.648
  443    HA   ARG  62           HA       ARG  62   6.642  -1.838 -10.579
  444    HB2  ARG  62           HB2      ARG  62   4.796  -4.189 -11.123
  445    HB3  ARG  62           HB1      ARG  62   4.476  -2.874 -10.006
  446    HG2  ARG  62           HG2      ARG  62   4.727  -2.628 -13.009
  447    HG3  ARG  62           HG1      ARG  62   3.238  -2.568 -12.074
  448    HD2  ARG  62           HD2      ARG  62   3.980  -0.523 -10.973
  449    HD3  ARG  62           HD1      ARG  62   5.519  -0.592 -11.828
  450    HE   ARG  62           HE       ARG  62   3.359  -0.613 -13.640
  451   HH11  ARG  62          HH11      ARG  62   5.164   1.686 -11.553
  452   HH12  ARG  62          HH12      ARG  62   4.750   3.020 -12.548
  453   HH21  ARG  62          HH21      ARG  62   2.890   1.382 -14.955
  454   HH22  ARG  62          HH22      ARG  62   3.515   2.858 -14.339
  455    H    LYS  63           HN       LYS  63   7.917  -4.743 -11.024
  456    HA   LYS  63           HA       LYS  63   7.824  -6.424  -8.854
  457    HB2  LYS  63           HB2      LYS  63   8.853  -6.690 -11.026
  458    HB3  LYS  63           HB1      LYS  63  10.140  -5.619 -10.533
  459    HG2  LYS  63           HG2      LYS  63  11.053  -7.719 -10.331
  460    HG3  LYS  63           HG1      LYS  63  10.576  -7.319  -8.684
  461    HD2  LYS  63           HD2      LYS  63   8.800  -8.724  -8.704
  462    HD3  LYS  63           HD1      LYS  63   8.704  -8.804 -10.475
  463    HE2  LYS  63           HE2      LYS  63  10.810 -10.034  -8.693
  464    HE3  LYS  63           HE1      LYS  63   9.626 -10.896  -9.678
  465    HZ1  LYS  63           HZ1      LYS  63  11.696 -10.925 -10.877
  466    HZ2  LYS  63           HZ2      LYS  63  11.954  -9.301 -10.588
  467    HZ3  LYS  63           HZ3      LYS  63  10.772  -9.741 -11.674
  468    H    ARG  64           HN       ARG  64   9.620  -3.471  -9.236
  469    HA   ARG  64           HA       ARG  64  11.399  -4.079  -7.097
  470    HB2  ARG  64           HB2      ARG  64  12.161  -1.633  -7.571
  471    HB3  ARG  64           HB1      ARG  64  12.567  -2.939  -8.665
  472    HG2  ARG  64           HG2      ARG  64  10.923  -2.265 -10.241
  473    HG3  ARG  64           HG1      ARG  64  10.164  -1.162  -9.093
  474    HD2  ARG  64           HD2      ARG  64  11.727  -0.221 -10.939
  475    HD3  ARG  64           HD1      ARG  64  11.863   0.410  -9.292
  476    HE   ARG  64           HE       ARG  64  13.584  -1.720 -10.327
  477   HH11  ARG  64          HH11      ARG  64  13.326   1.529  -8.987
  478   HH12  ARG  64          HH12      ARG  64  14.800   1.425  -8.118
  479   HH21  ARG  64          HH21      ARG  64  15.610  -1.841  -9.144
  480   HH22  ARG  64          HH22      ARG  64  16.074  -0.494  -8.179
  481    H    ALA  65           HN       ALA  65   9.087  -1.434  -7.626
  482    HA   ALA  65           HA       ALA  65   9.603  -0.522  -4.977
  483    HB1  ALA  65           HB1      ALA  65   8.089   1.338  -5.559
  484    HB2  ALA  65           HB2      ALA  65   7.721   0.546  -7.085
  485    HB3  ALA  65           HB3      ALA  65   9.366   1.095  -6.753
  486    H    GLY  66           HN       GLY  66   6.912  -1.961  -6.851
  487    HA2  GLY  66           HA2      GLY  66   4.932  -1.536  -4.835
  488    HA3  GLY  66           HA1      GLY  66   4.737  -2.390  -6.351
  489    H    LYS  67           HN       LYS  67   7.135  -4.057  -5.520
  490    HA   LYS  67           HA       LYS  67   5.574  -6.151  -4.408
  491    HB2  LYS  67           HB2      LYS  67   7.313  -6.701  -5.961
  492    HB3  LYS  67           HB1      LYS  67   8.512  -5.904  -4.972
  493    HG2  LYS  67           HG2      LYS  67   8.486  -7.701  -3.353
  494    HG3  LYS  67           HG1      LYS  67   7.053  -8.407  -4.103
  495    HD2  LYS  67           HD2      LYS  67   8.200  -9.221  -5.885
  496    HD3  LYS  67           HD1      LYS  67   9.441  -7.976  -5.801
  497    HE2  LYS  67           HE2      LYS  67   9.141 -10.247  -3.825
  498    HE3  LYS  67           HE1      LYS  67  10.265 -10.249  -5.178
  499    HZ1  LYS  67           HZ1      LYS  67  11.543  -9.538  -3.423
  500    HZ2  LYS  67           HZ2      LYS  67  10.369  -8.605  -2.710
  501    HZ3  LYS  67           HZ3      LYS  67  11.140  -8.064  -4.124
  502    H    LEU  68           HN       LEU  68   7.463  -3.653  -3.035
  503    HA   LEU  68           HA       LEU  68   7.815  -4.812  -0.479
  504    HB2  LEU  68           HB2      LEU  68   9.123  -2.884  -0.947
  505    HB3  LEU  68           HB1      LEU  68   7.724  -1.964  -1.448
  506    HG   LEU  68           HG       LEU  68   6.970  -1.735   0.837
  507   HD11  LEU  68          HD11      LEU  68   7.570  -3.796   1.730
  508   HD12  LEU  68          HD12      LEU  68   8.247  -2.491   2.706
  509   HD13  LEU  68          HD13      LEU  68   9.309  -3.444   1.630
  510   HD21  LEU  68          HD21      LEU  68   8.890  -0.549   1.822
  511   HD22  LEU  68          HD22      LEU  68   8.422  -0.067   0.206
  512   HD23  LEU  68          HD23      LEU  68   9.862  -1.080   0.443
  513    H    LEU  69           HN       LEU  69   5.255  -3.064  -2.047
  514    HA   LEU  69           HA       LEU  69   3.784  -2.670   0.356
  515    HB2  LEU  69           HB2      LEU  69   2.427  -2.521  -2.302
  516    HB3  LEU  69           HB1      LEU  69   2.237  -1.568  -0.883
  517    HG   LEU  69           HG       LEU  69   4.604  -1.290  -2.729
  518   HD11  LEU  69          HD11      LEU  69   2.598  -0.443  -3.745
  519   HD12  LEU  69          HD12      LEU  69   3.645   0.891  -3.252
  520   HD13  LEU  69          HD13      LEU  69   2.224   0.484  -2.292
  521   HD21  LEU  69          HD21      LEU  69   3.843   0.234  -0.233
  522   HD22  LEU  69          HD22      LEU  69   5.090   0.721  -1.375
  523   HD23  LEU  69          HD23      LEU  69   5.278  -0.780  -0.451
  524    H    ASP  70           HN       ASP  70   4.239  -5.183  -1.852
  525    HA   ASP  70           HA       ASP  70   1.704  -6.452  -1.550
  526    HB2  ASP  70           HB2      ASP  70   3.128  -6.825  -3.533
  527    HB3  ASP  70           HB1      ASP  70   4.302  -7.651  -2.507
  528    H    TYR  71           HN       TYR  71   4.852  -6.695   0.044
  529    HA   TYR  71           HA       TYR  71   4.303  -8.988   1.665
  530    HB2  TYR  71           HB2      TYR  71   5.938  -6.615   2.572
  531    HB3  TYR  71           HB1      TYR  71   6.057  -8.260   3.136
  532    HD1  TYR  71           HD1      TYR  71   6.815  -9.967   1.087
  533    HD2  TYR  71           HD2      TYR  71   7.595  -5.793   1.345
  534    HE1  TYR  71           HE1      TYR  71   8.824 -10.231  -0.333
  535    HE2  TYR  71           HE2      TYR  71   9.531  -6.030  -0.062
  536    HH   TYR  71           HH       TYR  71  11.143  -7.872  -0.516
  537    H    LEU  72           HN       LEU  72   3.354  -5.762   1.702
  538    HA   LEU  72           HA       LEU  72   2.600  -5.431   4.486
  539    HB2  LEU  72           HB2      LEU  72   1.908  -3.862   2.063
  540    HB3  LEU  72           HB1      LEU  72   1.753  -3.270   3.689
  541    HG   LEU  72           HG       LEU  72   4.233  -3.724   2.056
  542   HD11  LEU  72          HD11      LEU  72   3.101  -1.281   3.365
  543   HD12  LEU  72          HD12      LEU  72   2.822  -1.712   1.697
  544   HD13  LEU  72          HD13      LEU  72   4.470  -1.360   2.255
  545   HD21  LEU  72          HD21      LEU  72   4.058  -2.856   4.931
  546   HD22  LEU  72          HD22      LEU  72   5.497  -2.820   3.914
  547   HD23  LEU  72          HD23      LEU  72   4.766  -4.377   4.349
  548    H    GLN  73           HN       GLN  73   1.247  -6.823   1.735
  549    HA   GLN  73           HA       GLN  73  -1.450  -5.854   2.096
  550    HB2  GLN  73           HB2      GLN  73   0.152  -6.276  -0.042
  551    HB3  GLN  73           HB1      GLN  73  -0.794  -7.751  -0.049
  552    HG2  GLN  73           HG2      GLN  73  -2.335  -5.181   0.136
  553    HG3  GLN  73           HG1      GLN  73  -1.593  -5.657  -1.424
  554   HE21  GLN  73          HE21      GLN  73  -4.090  -5.074  -0.294
  555   HE22  GLN  73          HE22      GLN  73  -5.047  -6.426  -0.672
  556    H    GLU  74           HN       GLU  74   0.244  -8.311   3.479
  557    HA   GLU  74           HA       GLU  74  -1.456 -10.551   3.068
  558    HB2  GLU  74           HB2      GLU  74  -0.304 -11.341   5.303
  559    HB3  GLU  74           HB1      GLU  74   0.605 -11.262   3.812
  560    HG2  GLU  74           HG2      GLU  74   1.943 -10.455   5.698
  561    HG3  GLU  74           HG1      GLU  74   1.667  -9.165   4.552
  562    H    ASN  75           HN       ASN  75  -1.304  -8.151   5.463
  563    HA   ASN  75           HA       ASN  75  -3.969  -8.582   6.343
  564    HB2  ASN  75           HB2      ASN  75  -2.686 -10.123   7.792
  565    HB3  ASN  75           HB1      ASN  75  -1.576  -8.825   8.201
  566   HD21  ASN  75          HD21      ASN  75  -4.736 -10.150   8.679
  567   HD22  ASN  75          HD22      ASN  75  -5.146  -9.198  10.065
  568    HA   PRO  76           HA       PRO  76  -3.311  -4.590   4.472
  569    HB2  PRO  76           HB2      PRO  76  -5.421  -4.135   6.523
  570    HB3  PRO  76           HB1      PRO  76  -5.291  -3.435   4.892
  571    HG2  PRO  76           HG2      PRO  76  -6.765  -5.557   5.243
  572    HG3  PRO  76           HG1      PRO  76  -5.693  -5.447   3.833
  573    HD2  PRO  76           HD2      PRO  76  -5.497  -7.213   6.159
  574    HD3  PRO  76           HD1      PRO  76  -4.725  -7.360   4.568
  575    H    LYS  77           HN       LYS  77  -2.385  -4.804   7.740
  576    HA   LYS  77           HA       LYS  77  -2.271  -2.188   8.819
  577    HB2  LYS  77           HB2      LYS  77  -0.032  -4.156   9.062
  578    HB3  LYS  77           HB1      LYS  77  -0.596  -3.011  10.254
  579    HG2  LYS  77           HG2      LYS  77  -2.478  -4.382  10.778
  580    HG3  LYS  77           HG1      LYS  77  -2.167  -5.435   9.395
  581    HD2  LYS  77           HD2      LYS  77  -0.317  -5.077  11.766
  582    HD3  LYS  77           HD1      LYS  77  -1.404  -6.441  11.537
  583    HE2  LYS  77           HE2      LYS  77   0.970  -5.719   9.747
  584    HE3  LYS  77           HE1      LYS  77   0.913  -7.016  10.918
  585    HZ1  LYS  77           HZ1      LYS  77   0.503  -7.944   8.675
  586    HZ2  LYS  77           HZ2      LYS  77  -0.693  -6.858   8.405
  587    HZ3  LYS  77           HZ3      LYS  77  -0.902  -8.024   9.584
  588    H    GLY  78           HN       GLY  78  -0.249  -3.889   6.487
  589    HA2  GLY  78           HA2      GLY  78   2.074  -2.345   6.859
  590    HA3  GLY  78           HA1      GLY  78   1.785  -3.467   5.548
  591    H    LEU  79           HN       LEU  79  -0.463  -2.209   4.351
  592    HA   LEU  79           HA       LEU  79   0.839  -0.212   2.850
  593    HB2  LEU  79           HB2      LEU  79  -2.023  -1.079   2.955
  594    HB3  LEU  79           HB1      LEU  79  -1.633   0.424   2.167
  595    HG   LEU  79           HG       LEU  79  -1.905  -1.342   0.530
  596   HD11  LEU  79          HD11      LEU  79   0.970  -0.521   0.696
  597   HD12  LEU  79          HD12      LEU  79  -0.359   0.365  -0.054
  598   HD13  LEU  79          HD13      LEU  79   0.139  -1.203  -0.715
  599   HD21  LEU  79          HD21      LEU  79   0.260  -2.754   2.026
  600   HD22  LEU  79          HD22      LEU  79  -0.178  -3.133   0.372
  601   HD23  LEU  79          HD23      LEU  79  -1.378  -3.341   1.672
  602    H    ASP  80           HN       ASP  80  -1.424   0.002   5.544
  603    HA   ASP  80           HA       ASP  80  -1.785   2.785   5.553
  604    HB2  ASP  80           HB2      ASP  80  -1.661   0.949   7.970
  605    HB3  ASP  80           HB1      ASP  80  -2.306   2.579   7.967
  606    H    THR  81           HN       THR  81   0.524   0.701   7.101
  607    HA   THR  81           HA       THR  81   2.022   2.474   8.578
  608    HB   THR  81           HB       THR  81   2.873  -0.103   7.231
  609    HG1  THR  81           HG1      THR  81   1.211  -0.360   8.754
  610   HG21  THR  81          HG21      THR  81   4.707  -0.197   8.848
  611   HG22  THR  81          HG22      THR  81   4.231   1.370   9.502
  612   HG23  THR  81          HG23      THR  81   4.852   1.253   7.854
  613    H    LEU  82           HN       LEU  82   2.431   1.598   5.135
  614    HA   LEU  82           HA       LEU  82   4.697   3.388   5.019
  615    HB2  LEU  82           HB2      LEU  82   3.424   1.852   2.768
  616    HB3  LEU  82           HB1      LEU  82   4.808   2.899   2.593
  617    HG   LEU  82           HG       LEU  82   4.641   0.181   3.845
  618   HD11  LEU  82          HD11      LEU  82   5.183   0.422   1.517
  619   HD12  LEU  82          HD12      LEU  82   6.488  -0.271   2.473
  620   HD13  LEU  82          HD13      LEU  82   6.580   1.419   1.945
  621   HD21  LEU  82          HD21      LEU  82   6.802   2.227   4.360
  622   HD22  LEU  82          HD22      LEU  82   6.921   0.505   4.693
  623   HD23  LEU  82          HD23      LEU  82   5.743   1.487   5.574
  624    H    VAL  83           HN       VAL  83   1.360   3.377   3.753
  625    HA   VAL  83           HA       VAL  83   1.752   5.520   2.058
  626    HB   VAL  83           HB       VAL  83  -0.295   4.165   1.813
  627   HG11  VAL  83          HG11      VAL  83  -1.236   5.617   4.248
  628   HG12  VAL  83          HG12      VAL  83  -0.840   3.886   4.158
  629   HG13  VAL  83          HG13      VAL  83  -2.214   4.544   3.237
  630   HG21  VAL  83          HG21      VAL  83  -0.838   7.053   2.327
  631   HG22  VAL  83          HG22      VAL  83  -1.895   5.987   1.386
  632   HG23  VAL  83          HG23      VAL  83  -0.269   6.380   0.796
  633    H    GLU  84           HN       GLU  84   1.125   5.554   5.428
  634    HA   GLU  84           HA       GLU  84   0.376   8.249   5.696
  635    HB2  GLU  84           HB2      GLU  84   0.010   6.698   7.526
  636    HB3  GLU  84           HB1      GLU  84   1.698   6.271   7.582
  637    HG2  GLU  84           HG2      GLU  84   0.618   8.976   8.410
  638    HG3  GLU  84           HG1      GLU  84   0.862   7.630   9.515
  639    H    SER  85           HN       SER  85   3.515   6.805   5.277
  640    HA   SER  85           HA       SER  85   4.783   9.224   6.112
  641    HB2  SER  85           HB2      SER  85   5.932   6.699   4.937
  642    HB3  SER  85           HB1      SER  85   6.850   8.005   5.710
  643    HG   SER  85           HG       SER  85   4.948   7.408   7.393
  644    H    ILE  86           HN       ILE  86   3.875   7.684   3.188
  645    HA   ILE  86           HA       ILE  86   5.267   9.519   1.473
  646    HB   ILE  86           HB       ILE  86   5.379   7.447   0.486
  647   HG12  ILE  86          HG12      ILE  86   4.076   9.121  -1.129
  648   HG13  ILE  86          HG11      ILE  86   4.318   7.442  -1.595
  649   HG21  ILE  86          HG21      ILE  86   2.582   6.980   1.242
  650   HG22  ILE  86          HG22      ILE  86   4.010   6.296   2.043
  651   HG23  ILE  86          HG23      ILE  86   3.573   5.802   0.398
  652   HD11  ILE  86          HD11      ILE  86   1.765   8.602  -0.405
  653   HD12  ILE  86          HD12      ILE  86   2.024   6.924  -0.806
  654   HD13  ILE  86          HD13      ILE  86   2.006   8.132  -2.097
  655    H    ARG  87           HN       ARG  87   2.355   9.805   3.058
  656    HA   ARG  87           HA       ARG  87   0.289  10.015   1.374
  657    HB2  ARG  87           HB2      ARG  87   0.956  11.370   3.875
  658    HB3  ARG  87           HB1      ARG  87  -0.459  12.028   2.991
  659    HG2  ARG  87           HG2      ARG  87  -1.387   9.785   3.115
  660    HG3  ARG  87           HG1      ARG  87   0.095   9.215   3.880
  661    HD2  ARG  87           HD2      ARG  87  -0.305  10.767   5.744
  662    HD3  ARG  87           HD1      ARG  87  -1.810  11.278   4.980
  663    HE   ARG  87           HE       ARG  87  -2.130   8.650   5.110
  664   HH11  ARG  87          HH11      ARG  87  -1.138  10.971   7.560
  665   HH12  ARG  87          HH12      ARG  87  -1.750  10.120   8.897
  666   HH21  ARG  87          HH21      ARG  87  -3.008   7.403   6.935
  667   HH22  ARG  87          HH22      ARG  87  -2.866   8.002   8.518
  668    H    ARG  88           HN       ARG  88   1.412  13.420   2.183
  669    HA   ARG  88           HA       ARG  88   1.310  13.781  -0.740
  670    HB2  ARG  88           HB2      ARG  88   0.067  15.472   0.335
  671    HB3  ARG  88           HB1      ARG  88   1.397  15.908   1.410
  672    HG2  ARG  88           HG2      ARG  88   2.669  16.668  -0.617
  673    HG3  ARG  88           HG1      ARG  88   1.223  16.356  -1.582
  674    HD2  ARG  88           HD2      ARG  88  -0.005  18.020  -0.458
  675    HD3  ARG  88           HD1      ARG  88   1.193  18.157   0.823
  676    HE   ARG  88           HE       ARG  88   1.498  19.094  -1.941
  677   HH11  ARG  88          HH11      ARG  88   2.544  19.125   1.457
  678   HH12  ARG  88          HH12      ARG  88   3.330  20.616   1.398
  679   HH21  ARG  88          HH21      ARG  88   2.657  21.193  -2.091
  680   HH22  ARG  88          HH22      ARG  88   3.421  21.832  -0.712
  681    H    GLU  89           HN       GLU  89   3.262  15.448   1.608
  682    HA   GLU  89           HA       GLU  89   5.659  14.284   0.466
  683    HB2  GLU  89           HB2      GLU  89   6.093  15.712   2.929
  684    HB3  GLU  89           HB1      GLU  89   6.703  16.129   1.346
  685    HG2  GLU  89           HG2      GLU  89   5.569  18.039   2.347
  686    HG3  GLU  89           HG1      GLU  89   4.677  17.497   0.939
  687    H    LYS  90           HN       LYS  90   4.674  15.074   3.686
  688    HA   LYS  90           HA       LYS  90   4.701  12.356   4.600
  689    HB2  LYS  90           HB2      LYS  90   5.009  14.966   5.973
  690    HB3  LYS  90           HB1      LYS  90   4.399  13.604   6.882
  691    HG2  LYS  90           HG2      LYS  90   7.044  13.771   5.448
  692    HG3  LYS  90           HG1      LYS  90   6.782  13.857   7.187
  693    HD2  LYS  90           HD2      LYS  90   6.248  11.423   5.431
  694    HD3  LYS  90           HD1      LYS  90   7.624  11.658   6.477
  695    HE2  LYS  90           HE2      LYS  90   6.123  10.177   7.613
  696    HE3  LYS  90           HE1      LYS  90   6.056  11.716   8.445
  697    HZ1  LYS  90           HZ1      LYS  90   3.873  12.138   7.446
  698    HZ2  LYS  90           HZ2      LYS  90   3.850  10.619   8.132
  699    HZ3  LYS  90           HZ3      LYS  90   3.968  10.761   6.497
  700    H    THR  91           HN       THR  91   2.574  15.152   4.295
  701    HA   THR  91           HA       THR  91   0.709  13.740   6.080
  702    HB   THR  91           HB       THR  91  -0.214  15.986   6.565
  703    HG1  THR  91           HG1      THR  91   2.125  16.908   5.133
  704   HG21  THR  91          HG21      THR  91   2.742  15.541   7.076
  705   HG22  THR  91          HG22      THR  91   1.427  14.884   8.045
  706   HG23  THR  91          HG23      THR  91   1.700  16.626   7.994
  707    H    GLN  92           HN       GLN  92   0.407  15.830   3.148
  708    HA   GLN  92           HA       GLN  92  -2.403  15.761   3.462
  709    HB2  GLN  92           HB2      GLN  92  -0.929  16.865   1.067
  710    HB3  GLN  92           HB1      GLN  92  -2.629  17.076   1.422
  711    HG2  GLN  92           HG2      GLN  92  -0.300  18.135   3.013
  712    HG3  GLN  92           HG1      GLN  92  -1.416  19.056   2.013
  713   HE21  GLN  92          HE21      GLN  92  -0.867  17.570   5.055
  714   HE22  GLN  92          HE22      GLN  92  -2.331  18.123   5.803
  715    H    ASN  93           HN       ASN  93  -3.863  15.516   1.522
  716    HA   ASN  93           HA       ASN  93  -4.088  12.662   1.164
  717    HB2  ASN  93           HB2      ASN  93  -6.425  13.094   0.604
  718    HB3  ASN  93           HB1      ASN  93  -5.988  13.926   2.095
  719   HD21  ASN  93          HD21      ASN  93  -8.220  14.542   0.279
  720   HD22  ASN  93          HD22      ASN  93  -7.920  16.143  -0.255
  721    H    PHE  94           HN       PHE  94  -2.615  14.683  -0.865
  722    HA   PHE  94           HA       PHE  94  -3.731  14.790  -3.321
  723    HB2  PHE  94           HB2      PHE  94  -1.455  15.574  -2.849
  724    HB3  PHE  94           HB1      PHE  94  -0.877  13.917  -2.826
  725    HD1  PHE  94           HD1      PHE  94  -2.542  16.395  -5.051
  726    HD2  PHE  94           HD2      PHE  94   0.001  12.994  -4.766
  727    HE1  PHE  94           HE1      PHE  94  -2.048  16.565  -7.456
  728    HE2  PHE  94           HE2      PHE  94   0.494  13.155  -7.173
  729    HZ   PHE  94           HZ       PHE  94  -0.531  14.943  -8.519
  730    H    LEU  95           HN       LEU  95  -1.805  11.759  -2.629
  731    HA   LEU  95           HA       LEU  95  -3.286  10.400  -4.780
  732    HB2  LEU  95           HB2      LEU  95  -1.130   9.452  -2.911
  733    HB3  LEU  95           HB1      LEU  95  -1.884   8.417  -4.104
  734    HG   LEU  95           HG       LEU  95  -0.099  10.799  -4.637
  735   HD11  LEU  95          HD11      LEU  95   1.079   8.773  -3.978
  736   HD12  LEU  95          HD12      LEU  95   1.315   9.060  -5.713
  737   HD13  LEU  95          HD13      LEU  95   0.158   7.851  -5.164
  738   HD21  LEU  95          HD21      LEU  95  -1.870  10.744  -6.323
  739   HD22  LEU  95          HD22      LEU  95  -1.561   9.021  -6.576
  740   HD23  LEU  95          HD23      LEU  95  -0.328  10.204  -7.005
  741    H    ILE  96           HN       ILE  96  -3.463  10.861  -1.589
  742    HA   ILE  96           HA       ILE  96  -4.142   8.260  -0.559
  743    HB   ILE  96           HB       ILE  96  -4.567  10.693   1.156
  744   HG12  ILE  96          HG12      ILE  96  -2.635  11.354  -0.280
  745   HG13  ILE  96          HG11      ILE  96  -2.167  11.093   1.403
  746   HG21  ILE  96          HG21      ILE  96  -3.600   9.353   2.824
  747   HG22  ILE  96          HG22      ILE  96  -2.586   8.594   1.662
  748   HG23  ILE  96          HG23      ILE  96  -4.305   8.069   1.785
  749   HD11  ILE  96          HD11      ILE  96  -1.879   9.188  -0.852
  750   HD12  ILE  96          HD12      ILE  96  -1.262   8.975   0.812
  751   HD13  ILE  96          HD13      ILE  96  -0.642  10.294  -0.246
  752    H    GLN  97           HN       GLN  97  -5.799  11.108  -1.562
  753    HA   GLN  97           HA       GLN  97  -8.296  10.767  -0.345
  754    HB2  GLN  97           HB2      GLN  97  -7.453  12.833  -1.490
  755    HB3  GLN  97           HB1      GLN  97  -7.690  12.024  -3.025
  756    HG2  GLN  97           HG2      GLN  97  -9.510  13.580  -2.519
  757    HG3  GLN  97           HG1      GLN  97 -10.079  11.916  -2.643
  758   HE21  GLN  97          HE21      GLN  97 -10.805  10.879  -0.842
  759   HE22  GLN  97          HE22      GLN  97 -11.144  11.694   0.649
  760    H    LYS  98           HN       LYS  98  -6.791   9.189  -3.015
  761    HA   LYS  98           HA       LYS  98  -9.088   8.253  -4.379
  762    HB2  LYS  98           HB2      LYS  98  -6.749   8.352  -5.316
  763    HB3  LYS  98           HB1      LYS  98  -6.331   6.989  -4.298
  764    HG2  LYS  98           HG2      LYS  98  -6.732   6.161  -6.496
  765    HG3  LYS  98           HG1      LYS  98  -8.102   5.661  -5.509
  766    HD2  LYS  98           HD2      LYS  98  -9.414   7.548  -6.377
  767    HD3  LYS  98           HD1      LYS  98  -8.036   8.054  -7.353
  768    HE2  LYS  98           HE2      LYS  98  -9.585   6.866  -8.753
  769    HE3  LYS  98           HE1      LYS  98  -8.149   5.874  -8.549
  770    HZ1  LYS  98           HZ1      LYS  98 -10.660   5.567  -7.008
  771    HZ2  LYS  98           HZ2      LYS  98  -9.373   4.473  -6.960
  772    HZ3  LYS  98           HZ3      LYS  98 -10.288   4.635  -8.333
  773    H    ILE  99           HN       ILE  99  -7.342   7.208  -1.550
  774    HA   ILE  99           HA       ILE  99  -8.243   4.529  -1.463
  775    HB   ILE  99           HB       ILE  99  -7.452   6.293   0.881
  776   HG12  ILE  99          HG12      ILE  99  -5.742   4.515  -0.878
  777   HG13  ILE  99          HG11      ILE  99  -5.686   6.262  -0.820
  778   HG21  ILE  99          HG21      ILE  99  -8.593   4.243   1.568
  779   HG22  ILE  99          HG22      ILE  99  -6.881   4.160   1.992
  780   HG23  ILE  99          HG23      ILE  99  -7.487   3.278   0.590
  781   HD11  ILE  99          HD11      ILE  99  -3.827   5.342   0.401
  782   HD12  ILE  99          HD12      ILE  99  -4.918   4.379   1.395
  783   HD13  ILE  99          HD13      ILE  99  -4.931   6.135   1.530
  784    H    THR 100           HN       THR 100  -9.499   7.572  -0.156
  785    HA   THR 100           HA       THR 100 -11.665   6.536   1.304
  786    HB   THR 100           HB       THR 100 -11.601   9.170  -0.182
  787    HG1  THR 100           HG1      THR 100 -10.385   8.434   2.294
  788   HG21  THR 100          HG21      THR 100 -12.955   9.950   1.720
  789   HG22  THR 100          HG22      THR 100 -12.862   8.347   2.448
  790   HG23  THR 100          HG23      THR 100 -13.733   8.575   0.934
  791    H    ASP 101           HN       ASP 101 -11.274   7.612  -2.021
  792    HA   ASP 101           HA       ASP 101 -13.880   7.296  -2.953
  793    HB2  ASP 101           HB2      ASP 101 -12.458   8.539  -4.342
  794    HB3  ASP 101           HB1      ASP 101 -11.170   7.349  -4.243
  795    H    GLU 102           HN       GLU 102 -11.199   5.006  -2.809
  796    HA   GLU 102           HA       GLU 102 -12.623   2.929  -4.110
  797    HB2  GLU 102           HB2      GLU 102 -10.249   2.651  -2.259
  798    HB3  GLU 102           HB1      GLU 102 -10.837   1.429  -3.371
  799    HG2  GLU 102           HG2      GLU 102  -9.685   4.101  -4.133
  800    HG3  GLU 102           HG1      GLU 102  -8.851   2.561  -4.206
  801    H    VAL 103           HN       VAL 103 -11.846   3.419  -0.676
  802    HA   VAL 103           HA       VAL 103 -12.983   1.185   0.394
  803    HB   VAL 103           HB       VAL 103 -12.624   3.959   1.543
  804   HG11  VAL 103          HG11      VAL 103 -13.288   3.191   3.762
  805   HG12  VAL 103          HG12      VAL 103 -13.734   1.618   3.099
  806   HG13  VAL 103          HG13      VAL 103 -14.657   3.046   2.655
  807   HG21  VAL 103          HG21      VAL 103 -11.481   1.275   2.248
  808   HG22  VAL 103          HG22      VAL 103 -11.031   2.807   2.976
  809   HG23  VAL 103          HG23      VAL 103 -10.677   2.506   1.265
  810    H    LEU 104           HN       LEU 104 -14.743   4.205  -0.153
  811    HA   LEU 104           HA       LEU 104 -17.179   3.169   0.871
  812    HB2  LEU 104           HB2      LEU 104 -16.512   5.649  -0.728
  813    HB3  LEU 104           HB1      LEU 104 -18.171   5.251  -0.370
  814    HG   LEU 104           HG       LEU 104 -17.744   5.535   2.041
  815   HD11  LEU 104          HD11      LEU 104 -14.928   6.293   1.281
  816   HD12  LEU 104          HD12      LEU 104 -15.416   4.838   2.149
  817   HD13  LEU 104          HD13      LEU 104 -15.655   6.423   2.884
  818   HD21  LEU 104          HD21      LEU 104 -17.364   7.931   2.058
  819   HD22  LEU 104          HD22      LEU 104 -18.428   7.473   0.726
  820   HD23  LEU 104          HD23      LEU 104 -16.726   7.852   0.420
  821    H    LYS 105           HN       LYS 105 -15.722   3.267  -2.308
  822    HA   LYS 105           HA       LYS 105 -18.043   2.764  -3.928
  823    HB2  LYS 105           HB2      LYS 105 -15.970   3.776  -4.785
  824    HB3  LYS 105           HB1      LYS 105 -15.112   2.271  -4.498
  825    HG2  LYS 105           HG2      LYS 105 -16.748   1.201  -6.104
  826    HG3  LYS 105           HG1      LYS 105 -17.277   2.830  -6.505
  827    HD2  LYS 105           HD2      LYS 105 -14.471   1.728  -6.842
  828    HD3  LYS 105           HD1      LYS 105 -15.637   1.968  -8.131
  829    HE2  LYS 105           HE2      LYS 105 -14.168   3.796  -8.300
  830    HE3  LYS 105           HE1      LYS 105 -15.580   4.451  -7.484
  831    HZ1  LYS 105           HZ1      LYS 105 -14.314   4.224  -5.347
  832    HZ2  LYS 105           HZ2      LYS 105 -13.642   5.254  -6.426
  833    HZ3  LYS 105           HZ3      LYS 105 -12.954   3.735  -6.231
  834    H    LEU 106           HN       LEU 106 -15.448   0.821  -2.628
  835    HA   LEU 106           HA       LEU 106 -16.091  -1.664  -3.791
  836    HB2  LEU 106           HB2      LEU 106 -14.368  -0.821  -1.508
  837    HB3  LEU 106           HB1      LEU 106 -14.748  -2.509  -1.740
  838    HG   LEU 106           HG       LEU 106 -12.543  -1.962  -2.606
  839   HD11  LEU 106          HD11      LEU 106 -14.450  -2.662  -4.805
  840   HD12  LEU 106          HD12      LEU 106 -13.704  -3.764  -3.644
  841   HD13  LEU 106          HD13      LEU 106 -12.705  -2.908  -4.817
  842   HD21  LEU 106          HD21      LEU 106 -12.874   0.331  -3.212
  843   HD22  LEU 106          HD22      LEU 106 -13.946  -0.135  -4.535
  844   HD23  LEU 106          HD23      LEU 106 -12.230  -0.573  -4.588
  845    H    ARG 107           HN       ARG 107 -17.934  -0.082  -1.414
  846    HA   ARG 107           HA       ARG 107 -18.576  -2.121   0.349
  847    HB2  ARG 107           HB2      ARG 107 -20.588  -1.012   0.959
  848    HB3  ARG 107           HB1      ARG 107 -19.497   0.258   0.445
  849    HG2  ARG 107           HG2      ARG 107 -20.732   0.721  -1.474
  850    HG3  ARG 107           HG1      ARG 107 -21.478  -0.875  -1.491
  851    HD2  ARG 107           HD2      ARG 107 -23.173   0.670  -0.829
  852    HD3  ARG 107           HD1      ARG 107 -22.711  -0.240   0.598
  853    HE   ARG 107           HE       ARG 107 -21.710   2.462   0.051
  854   HH11  ARG 107          HH11      ARG 107 -22.885   0.062   2.441
  855   HH12  ARG 107          HH12      ARG 107 -23.155   1.231   3.659
  856   HH21  ARG 107          HH21      ARG 107 -22.103   4.058   1.853
  857   HH22  ARG 107          HH22      ARG 107 -22.612   3.441   3.355
  858    H    ASN 108           HN       ASN 108 -19.663  -1.704  -2.915
  859    HA   ASN 108           HA       ASN 108 -21.822  -3.494  -3.070
  860    HB2  ASN 108           HB2      ASN 108 -21.383  -1.992  -4.875
  861    HB3  ASN 108           HB1      ASN 108 -19.776  -2.689  -5.173
  862   HD21  ASN 108          HD21      ASN 108 -22.870  -4.352  -4.609
  863   HD22  ASN 108          HD22      ASN 108 -22.933  -4.958  -6.227
  864    H    ILE 109           HN       ILE 109 -18.405  -3.988  -3.050
  865    HA   ILE 109           HA       ILE 109 -18.336  -6.627  -4.032
  866    HB   ILE 109           HB       ILE 109 -16.339  -4.965  -2.506
  867   HG12  ILE 109          HG12      ILE 109 -16.878  -4.057  -4.684
  868   HG13  ILE 109          HG11      ILE 109 -15.247  -4.708  -4.693
  869   HG21  ILE 109          HG21      ILE 109 -15.875  -7.596  -3.883
  870   HG22  ILE 109          HG22      ILE 109 -15.797  -7.279  -2.137
  871   HG23  ILE 109          HG23      ILE 109 -14.641  -6.508  -3.238
  872   HD11  ILE 109          HD11      ILE 109 -16.388  -5.214  -6.759
  873   HD12  ILE 109          HD12      ILE 109 -17.692  -6.007  -5.889
  874   HD13  ILE 109          HD13      ILE 109 -16.067  -6.701  -5.870
  875    H    LYS 110           HN       LYS 110 -18.722  -5.270  -0.825
  876    HA   LYS 110           HA       LYS 110 -18.514  -7.958   0.207
  877    HB2  LYS 110           HB2      LYS 110 -18.560  -5.360   1.688
  878    HB3  LYS 110           HB1      LYS 110 -18.658  -6.920   2.501
  879    HG2  LYS 110           HG2      LYS 110 -16.437  -6.020   0.691
  880    HG3  LYS 110           HG1      LYS 110 -16.372  -6.022   2.455
  881    HD2  LYS 110           HD2      LYS 110 -16.609  -8.489   2.419
  882    HD3  LYS 110           HD1      LYS 110 -16.680  -8.456   0.657
  883    HE2  LYS 110           HE2      LYS 110 -14.338  -7.483   2.302
  884    HE3  LYS 110           HE1      LYS 110 -14.434  -9.059   1.521
  885    HZ1  LYS 110           HZ1      LYS 110 -13.179  -7.329   0.225
  886    HZ2  LYS 110           HZ2      LYS 110 -14.561  -6.463   0.061
  887    HZ3  LYS 110           HZ3      LYS 110 -14.434  -7.980  -0.639
  888    H    LEU 111           HN       LEU 111 -20.924  -6.285  -1.058
  889    HA   LEU 111           HA       LEU 111 -23.025  -6.982   0.717
  890    HB2  LEU 111           HB2      LEU 111 -23.102  -6.663  -2.288
  891    HB3  LEU 111           HB1      LEU 111 -24.515  -6.757  -1.259
  892    HG   LEU 111           HG       LEU 111 -22.469  -4.535  -1.297
  893   HD11  LEU 111          HD11      LEU 111 -24.009  -4.540  -3.201
  894   HD12  LEU 111          HD12      LEU 111 -24.282  -3.169  -2.127
  895   HD13  LEU 111          HD13      LEU 111 -25.374  -4.552  -2.079
  896   HD21  LEU 111          HD21      LEU 111 -23.938  -3.389   0.301
  897   HD22  LEU 111          HD22      LEU 111 -23.293  -4.880   0.982
  898   HD23  LEU 111          HD23      LEU 111 -24.957  -4.824   0.393
  899    H    GLU 112           HN       GLU 112 -21.311  -8.771  -1.754
  900    HA   GLU 112           HA       GLU 112 -23.023 -11.036  -1.553
  901    HB2  GLU 112           HB2      GLU 112 -20.460 -10.507  -2.966
  902    HB3  GLU 112           HB1      GLU 112 -20.952 -12.183  -2.738
  903    HG2  GLU 112           HG2      GLU 112 -22.520 -10.013  -4.125
  904    HG3  GLU 112           HG1      GLU 112 -21.740 -11.410  -4.876
  905    H    HIS 113           HN       HIS 113 -20.862  -9.850   0.530
  906    HA   HIS 113           HA       HIS 113 -19.799 -12.296   1.616
  907    HB2  HIS 113           HB2      HIS 113 -18.496 -10.261   1.841
  908    HB3  HIS 113           HB1      HIS 113 -19.842  -9.437   2.584
  909    HD1  HIS 113           HD1      HIS 113 -17.316 -12.160   3.385
  910    HD2  HIS 113           HD2      HIS 113 -19.825  -9.471   5.299
  911    HE1  HIS 113           HE1      HIS 113 -16.607 -12.168   5.785
  912    HE2  HIS 113           HE2      HIS 113 -17.664 -10.054   6.505
  913    H    LEU 114           HN       LEU 114 -22.711 -10.549   1.825
  914    HA   LEU 114           HA       LEU 114 -23.577 -12.224   4.035
  915    HB2  LEU 114           HB2      LEU 114 -25.053 -10.319   4.756
  916    HB3  LEU 114           HB1      LEU 114 -23.346 -10.048   4.997
  917    HG   LEU 114           HG       LEU 114 -23.423  -8.688   2.816
  918   HD11  LEU 114          HD11      LEU 114 -25.494  -7.713   2.144
  919   HD12  LEU 114          HD12      LEU 114 -26.370  -8.576   3.410
  920   HD13  LEU 114          HD13      LEU 114 -25.669  -9.473   2.070
  921   HD21  LEU 114          HD21      LEU 114 -23.130  -7.669   4.988
  922   HD22  LEU 114          HD22      LEU 114 -24.873  -7.693   5.261
  923   HD23  LEU 114          HD23      LEU 114 -24.192  -6.676   3.991
  924    H    LYS 115           HN       LYS 115 -26.099 -12.305   4.028
  925    HA   LYS 115           HA       LYS 115 -27.753 -11.656   2.077
  926    HB2  LYS 115           HB2      LYS 115 -26.173 -14.037   1.297
  927    HB3  LYS 115           HB1      LYS 115 -27.910 -14.302   1.246
  928    HG2  LYS 115           HG2      LYS 115 -28.203 -12.505  -0.327
  929    HG3  LYS 115           HG1      LYS 115 -26.517 -12.023  -0.151
  930    HD2  LYS 115           HD2      LYS 115 -27.446 -14.674  -1.276
  931    HD3  LYS 115           HD1      LYS 115 -26.971 -13.282  -2.248
  932    HE2  LYS 115           HE2      LYS 115 -25.207 -14.825  -0.329
  933    HE3  LYS 115           HE1      LYS 115 -25.111 -14.822  -2.083
  934    HZ1  LYS 115           HZ1      LYS 115 -23.454 -13.356  -1.110
  935    HZ2  LYS 115           HZ2      LYS 115 -24.667 -12.433  -0.373
  936    HZ3  LYS 115           HZ3      LYS 115 -24.551 -12.500  -2.052
  Start of MODEL    6
    1    H    GLU  10           HT1      GLU  10 -14.174   3.753  10.184
    2    HA   GLU  10           HA       GLU  10 -14.711   3.665   7.285
    3    HB2  GLU  10           HB2      GLU  10 -12.385   4.205   6.952
    4    HB3  GLU  10           HB1      GLU  10 -13.120   5.513   7.883
    5    HG2  GLU  10           HG2      GLU  10 -11.472   3.268   8.860
    6    HG3  GLU  10           HG1      GLU  10 -10.850   4.928   8.675
    7    H    GLU  11           HN       GLU  11 -13.069   2.112  10.065
    8    HA   GLU  11           HA       GLU  11 -11.921  -0.027   8.710
    9    HB2  GLU  11           HB2      GLU  11 -11.860   0.579  11.229
   10    HB3  GLU  11           HB1      GLU  11 -13.336  -0.366  11.358
   11    HG2  GLU  11           HG2      GLU  11 -11.575  -1.805  11.983
   12    HG3  GLU  11           HG1      GLU  11 -12.048  -2.291  10.355
   13    H    ASP  12           HN       ASP  12 -15.145   0.480   9.788
   14    HA   ASP  12           HA       ASP  12 -16.608  -1.751   9.298
   15    HB2  ASP  12           HB2      ASP  12 -18.374   0.028   8.478
   16    HB3  ASP  12           HB1      ASP  12 -17.826   0.012  10.155
   17    H    LEU  13           HN       LEU  13 -16.037   0.753   6.793
   18    HA   LEU  13           HA       LEU  13 -16.716  -1.131   4.664
   19    HB2  LEU  13           HB2      LEU  13 -15.573   1.736   4.394
   20    HB3  LEU  13           HB1      LEU  13 -15.839   0.619   3.115
   21    HG   LEU  13           HG       LEU  13 -18.216   0.668   3.375
   22   HD11  LEU  13          HD11      LEU  13 -19.345   2.108   4.974
   23   HD12  LEU  13          HD12      LEU  13 -17.792   2.500   5.719
   24   HD13  LEU  13          HD13      LEU  13 -18.411   0.851   5.786
   25   HD21  LEU  13          HD21      LEU  13 -17.036   3.427   3.469
   26   HD22  LEU  13          HD22      LEU  13 -18.633   3.004   2.849
   27   HD23  LEU  13          HD23      LEU  13 -17.187   2.403   2.040
   28    H    THR  14           HN       THR  14 -13.795   0.148   5.975
   29    HA   THR  14           HA       THR  14 -12.116  -0.418   3.949
   30    HB   THR  14           HB       THR  14 -11.207  -0.452   6.840
   31    HG1  THR  14           HG1      THR  14 -12.400   1.423   6.254
   32   HG21  THR  14          HG21      THR  14  -9.142   0.477   5.812
   33   HG22  THR  14          HG22      THR  14  -9.887   0.143   4.221
   34   HG23  THR  14          HG23      THR  14  -9.497  -1.187   5.297
   35    H    GLU  15           HN       GLU  15 -13.254  -3.003   6.035
   36    HA   GLU  15           HA       GLU  15 -11.400  -5.028   5.613
   37    HB2  GLU  15           HB2      GLU  15 -14.388  -5.252   5.260
   38    HB3  GLU  15           HB1      GLU  15 -13.302  -6.620   5.389
   39    HG2  GLU  15           HG2      GLU  15 -12.699  -5.879   7.653
   40    HG3  GLU  15           HG1      GLU  15 -13.879  -4.569   7.503
   41    H    VAL  16           HN       VAL  16 -13.505  -3.590   3.316
   42    HA   VAL  16           HA       VAL  16 -13.432  -5.200   1.120
   43    HB   VAL  16           HB       VAL  16 -13.820  -3.180  -0.222
   44   HG11  VAL  16          HG11      VAL  16 -15.637  -4.431   0.926
   45   HG12  VAL  16          HG12      VAL  16 -15.969  -2.703   0.873
   46   HG13  VAL  16          HG13      VAL  16 -15.377  -3.439   2.363
   47   HG21  VAL  16          HG21      VAL  16 -13.894  -1.066   0.878
   48   HG22  VAL  16          HG22      VAL  16 -12.354  -1.936   1.322
   49   HG23  VAL  16          HG23      VAL  16 -13.720  -1.938   2.417
   50    H    LYS  17           HN       LYS  17 -10.946  -3.307   2.362
   51    HA   LYS  17           HA       LYS  17  -9.341  -2.297   0.460
   52    HB2  LYS  17           HB2      LYS  17  -7.566  -2.380   2.055
   53    HB3  LYS  17           HB1      LYS  17  -9.081  -2.169   2.910
   54    HG2  LYS  17           HG2      LYS  17  -8.974  -4.774   3.149
   55    HG3  LYS  17           HG1      LYS  17  -7.258  -4.526   2.842
   56    HD2  LYS  17           HD2      LYS  17  -8.915  -3.361   5.081
   57    HD3  LYS  17           HD1      LYS  17  -7.611  -4.531   5.217
   58    HE2  LYS  17           HE2      LYS  17  -7.310  -1.673   4.295
   59    HE3  LYS  17           HE1      LYS  17  -6.950  -2.264   5.909
   60    HZ1  LYS  17           HZ1      LYS  17  -5.506  -2.962   3.397
   61    HZ2  LYS  17           HZ2      LYS  17  -5.283  -3.736   4.895
   62    HZ3  LYS  17           HZ3      LYS  17  -4.952  -2.120   4.765
   63    H    LYS  18           HN       LYS  18  -9.859  -5.665   0.779
   64    HA   LYS  18           HA       LYS  18  -7.487  -6.894   0.042
   65    HB2  LYS  18           HB2      LYS  18 -10.029  -7.734   0.442
   66    HB3  LYS  18           HB1      LYS  18  -9.955  -7.836  -1.300
   67    HG2  LYS  18           HG2      LYS  18  -8.266  -9.346   0.701
   68    HG3  LYS  18           HG1      LYS  18  -9.515  -9.996  -0.337
   69    HD2  LYS  18           HD2      LYS  18  -7.636 -10.698  -1.485
   70    HD3  LYS  18           HD1      LYS  18  -7.861  -9.127  -2.249
   71    HE2  LYS  18           HE2      LYS  18  -6.086  -8.138  -0.934
   72    HE3  LYS  18           HE1      LYS  18  -6.092  -9.520   0.162
   73    HZ1  LYS  18           HZ1      LYS  18  -5.197 -10.867  -1.719
   74    HZ2  LYS  18           HZ2      LYS  18  -4.216  -9.591  -1.249
   75    HZ3  LYS  18           HZ3      LYS  18  -5.049  -9.465  -2.652
   76    H    ASP  19           HN       ASP  19 -10.079  -5.618  -2.087
   77    HA   ASP  19           HA       ASP  19  -8.648  -6.133  -4.523
   78    HB2  ASP  19           HB2      ASP  19 -11.015  -6.160  -4.710
   79    HB3  ASP  19           HB1      ASP  19 -11.171  -4.592  -3.923
   80    H    ALA  20           HN       ALA  20  -9.680  -3.114  -3.013
   81    HA   ALA  20           HA       ALA  20  -8.563  -1.224  -4.612
   82    HB1  ALA  20           HB1      ALA  20  -9.936  -0.602  -2.717
   83    HB2  ALA  20           HB2      ALA  20  -8.365   0.242  -2.642
   84    HB3  ALA  20           HB3      ALA  20  -8.666  -1.140  -1.613
   85    H    LEU  21           HN       LEU  21  -6.942  -2.926  -2.005
   86    HA   LEU  21           HA       LEU  21  -4.621  -1.353  -2.308
   87    HB2  LEU  21           HB2      LEU  21  -5.336  -3.632  -0.543
   88    HB3  LEU  21           HB1      LEU  21  -3.656  -3.192  -0.735
   89    HG   LEU  21           HG       LEU  21  -4.704  -2.200   1.314
   90   HD11  LEU  21          HD11      LEU  21  -3.904  -0.133  -0.712
   91   HD12  LEU  21          HD12      LEU  21  -2.793  -1.123   0.224
   92   HD13  LEU  21          HD13      LEU  21  -3.845   0.035   1.043
   93   HD21  LEU  21          HD21      LEU  21  -6.278  -0.488  -0.598
   94   HD22  LEU  21          HD22      LEU  21  -6.334  -0.428   1.169
   95   HD23  LEU  21          HD23      LEU  21  -6.957  -1.835   0.294
   96    H    GLU  22           HN       GLU  22  -5.669  -4.334  -3.801
   97    HA   GLU  22           HA       GLU  22  -3.059  -5.256  -4.578
   98    HB2  GLU  22           HB2      GLU  22  -5.778  -5.719  -5.850
   99    HB3  GLU  22           HB1      GLU  22  -4.307  -6.546  -6.325
  100    HG2  GLU  22           HG2      GLU  22  -5.511  -6.698  -3.582
  101    HG3  GLU  22           HG1      GLU  22  -5.851  -7.844  -4.872
  102    H    ASN  23           HN       ASN  23  -5.635  -3.468  -6.084
  103    HA   ASN  23           HA       ASN  23  -4.392  -2.828  -8.513
  104    HB2  ASN  23           HB2      ASN  23  -6.568  -1.378  -6.966
  105    HB3  ASN  23           HB1      ASN  23  -6.136  -1.015  -8.636
  106   HD21  ASN  23          HD21      ASN  23  -8.672  -2.177  -7.312
  107   HD22  ASN  23          HD22      ASN  23  -8.964  -3.604  -8.172
  108    H    LEU  24           HN       LEU  24  -4.434  -1.260  -5.430
  109    HA   LEU  24           HA       LEU  24  -3.007   1.088  -6.103
  110    HB2  LEU  24           HB2      LEU  24  -4.485   0.836  -4.193
  111    HB3  LEU  24           HB1      LEU  24  -3.419  -0.373  -3.530
  112    HG   LEU  24           HG       LEU  24  -2.293   2.324  -3.939
  113   HD11  LEU  24          HD11      LEU  24  -4.413   2.887  -3.124
  114   HD12  LEU  24          HD12      LEU  24  -3.346   2.941  -1.709
  115   HD13  LEU  24          HD13      LEU  24  -4.441   1.552  -1.981
  116   HD21  LEU  24          HD21      LEU  24  -1.241   1.746  -1.755
  117   HD22  LEU  24          HD22      LEU  24  -0.928   0.532  -2.988
  118   HD23  LEU  24          HD23      LEU  24  -2.138   0.226  -1.750
  119    H    ARG  25           HN       ARG  25  -2.036  -1.996  -4.715
  120    HA   ARG  25           HA       ARG  25   0.692  -1.703  -4.399
  121    HB2  ARG  25           HB2      ARG  25  -0.311  -3.508  -3.446
  122    HB3  ARG  25           HB1      ARG  25  -1.255  -3.928  -4.868
  123    HG2  ARG  25           HG2      ARG  25   0.939  -4.809  -5.816
  124    HG3  ARG  25           HG1      ARG  25   1.603  -4.584  -4.186
  125    HD2  ARG  25           HD2      ARG  25  -0.195  -5.972  -3.252
  126    HD3  ARG  25           HD1      ARG  25  -0.862  -6.215  -4.859
  127    HE   ARG  25           HE       ARG  25   1.783  -7.092  -4.887
  128   HH11  ARG  25          HH11      ARG  25  -1.392  -8.130  -3.705
  129   HH12  ARG  25          HH12      ARG  25  -0.880  -9.682  -3.270
  130   HH21  ARG  25          HH21      ARG  25   2.512  -9.211  -4.302
  131   HH22  ARG  25          HH22      ARG  25   1.440 -10.331  -3.601
  132    H    VAL  26           HN       VAL  26  -1.181  -2.007  -7.266
  133    HA   VAL  26           HA       VAL  26   1.126  -2.322  -8.983
  134    HB   VAL  26           HB       VAL  26  -1.794  -1.947  -9.722
  135   HG11  VAL  26          HG11      VAL  26   0.560  -2.710 -11.456
  136   HG12  VAL  26          HG12      VAL  26  -0.324  -1.185 -11.513
  137   HG13  VAL  26          HG13      VAL  26  -1.127  -2.687 -11.970
  138   HG21  VAL  26          HG21      VAL  26  -1.748  -4.344 -10.270
  139   HG22  VAL  26          HG22      VAL  26  -1.405  -4.055  -8.563
  140   HG23  VAL  26          HG23      VAL  26  -0.090  -4.441  -9.673
  141    H    TYR  27           HN       TYR  27  -1.442   0.216  -8.526
  142    HA   TYR  27           HA       TYR  27  -0.041   1.903 -10.387
  143    HB2  TYR  27           HB2      TYR  27  -1.813   3.588 -10.158
  144    HB3  TYR  27           HB1      TYR  27  -2.437   2.002 -10.536
  145    HD1  TYR  27           HD2      TYR  27  -1.801   4.065  -7.360
  146    HD2  TYR  27           HD1      TYR  27  -4.466   1.513  -9.533
  147    HE1  TYR  27           HE2      TYR  27  -3.454   4.269  -5.580
  148    HE2  TYR  27           HE1      TYR  27  -6.134   1.767  -7.746
  149    HH   TYR  27           HH       TYR  27  -6.242   2.337  -5.393
  150    H    LEU  28           HN       LEU  28   0.001   1.854  -6.924
  151    HA   LEU  28           HA       LEU  28   0.524   4.653  -6.707
  152    HB2  LEU  28           HB2      LEU  28  -0.323   2.678  -4.986
  153    HB3  LEU  28           HB1      LEU  28   1.254   3.126  -4.339
  154    HG   LEU  28           HG       LEU  28  -1.220   4.823  -4.673
  155   HD11  LEU  28          HD11      LEU  28  -1.208   3.515  -2.710
  156   HD12  LEU  28          HD12      LEU  28  -0.938   5.207  -2.299
  157   HD13  LEU  28          HD13      LEU  28   0.411   4.072  -2.294
  158   HD21  LEU  28          HD21      LEU  28   0.629   6.186  -5.414
  159   HD22  LEU  28          HD22      LEU  28   1.570   5.746  -3.986
  160   HD23  LEU  28          HD23      LEU  28   0.104   6.717  -3.815
  161    H    CYS  29           HN       CYS  29   2.481   2.134  -7.524
  162    HA   CYS  29           HA       CYS  29   4.878   2.310  -6.237
  163    HB2  CYS  29           HB2      CYS  29   4.483   1.917  -9.176
  164    HB3  CYS  29           HB1      CYS  29   5.854   1.348  -8.225
  165    HG   CYS  29           HG       CYS  29   2.834   0.009  -8.659
  166    H    GLU  30           HN       GLU  30   3.783   4.485  -8.835
  167    HA   GLU  30           HA       GLU  30   6.386   5.646  -9.047
  168    HB2  GLU  30           HB2      GLU  30   3.992   5.752 -10.617
  169    HB3  GLU  30           HB1      GLU  30   4.602   7.379 -10.347
  170    HG2  GLU  30           HG2      GLU  30   5.484   6.414 -12.416
  171    HG3  GLU  30           HG1      GLU  30   6.764   6.758 -11.260
  172    H    LYS  31           HN       LYS  31   3.871   6.219  -6.858
  173    HA   LYS  31           HA       LYS  31   5.178   8.760  -6.380
  174    HB2  LYS  31           HB2      LYS  31   2.344   8.109  -5.697
  175    HB3  LYS  31           HB1      LYS  31   3.205   9.323  -4.752
  176    HG2  LYS  31           HG2      LYS  31   2.329   9.330  -7.609
  177    HG3  LYS  31           HG1      LYS  31   2.029  10.514  -6.345
  178    HD2  LYS  31           HD2      LYS  31   4.550   9.983  -7.840
  179    HD3  LYS  31           HD1      LYS  31   3.583  11.450  -7.958
  180    HE2  LYS  31           HE2      LYS  31   5.429  10.565  -5.689
  181    HE3  LYS  31           HE1      LYS  31   5.568  11.991  -6.695
  182    HZ1  LYS  31           HZ1      LYS  31   3.412  12.741  -5.569
  183    HZ2  LYS  31           HZ2      LYS  31   4.798  12.708  -4.632
  184    HZ3  LYS  31           HZ3      LYS  31   3.679  11.457  -4.505
  185    H    ILE  32           HN       ILE  32   4.488   5.778  -4.862
  186    HA   ILE  32           HA       ILE  32   6.166   6.770  -2.689
  187    HB   ILE  32           HB       ILE  32   4.160   5.813  -1.725
  188   HG12  ILE  32          HG12      ILE  32   6.421   3.789  -1.508
  189   HG13  ILE  32          HG11      ILE  32   6.209   5.238  -0.525
  190   HG21  ILE  32          HG21      ILE  32   3.358   4.513  -3.637
  191   HG22  ILE  32          HG22      ILE  32   3.377   3.539  -2.156
  192   HG23  ILE  32          HG23      ILE  32   4.660   3.349  -3.349
  193   HD11  ILE  32          HD11      ILE  32   5.545   3.193   0.637
  194   HD12  ILE  32          HD12      ILE  32   4.329   2.903  -0.620
  195   HD13  ILE  32          HD13      ILE  32   4.194   4.311   0.430
  196    H    ILE  33           HN       ILE  33   8.187   6.523  -3.467
  197    HA   ILE  33           HA       ILE  33   8.550   4.049  -4.948
  198    HB   ILE  33           HB       ILE  33  10.682   6.181  -4.577
  199   HG12  ILE  33          HG12      ILE  33   8.554   6.096  -6.747
  200   HG13  ILE  33          HG11      ILE  33   8.596   7.262  -5.434
  201   HG21  ILE  33          HG21      ILE  33  10.093   4.253  -6.833
  202   HG22  ILE  33          HG22      ILE  33  11.223   3.938  -5.525
  203   HG23  ILE  33          HG23      ILE  33  11.532   5.264  -6.650
  204   HD11  ILE  33          HD11      ILE  33  10.711   8.142  -6.290
  205   HD12  ILE  33          HD12      ILE  33   9.435   8.218  -7.507
  206   HD13  ILE  33          HD13      ILE  33  10.669   6.961  -7.599
  207    H    ALA  34           HN       ALA  34   9.226   2.405  -3.879
  208    HA   ALA  34           HA       ALA  34  10.276   2.609  -1.252
  209    HB1  ALA  34           HB1      ALA  34  10.093   0.284  -1.096
  210    HB2  ALA  34           HB2      ALA  34  10.107   0.154  -2.854
  211    HB3  ALA  34           HB3      ALA  34   8.682   0.875  -2.027
  212    H    GLU  35           HN       GLU  35  11.593   2.889  -4.080
  213    HA   GLU  35           HA       GLU  35  13.561   1.085  -4.394
  214    HB2  GLU  35           HB2      GLU  35  12.668   2.526  -5.979
  215    HB3  GLU  35           HB1      GLU  35  13.289   3.948  -5.180
  216    HG2  GLU  35           HG2      GLU  35  15.594   3.231  -5.796
  217    HG3  GLU  35           HG1      GLU  35  14.869   1.921  -6.746
  218    H    ARG  36           HN       ARG  36  13.486   3.895  -2.436
  219    HA   ARG  36           HA       ARG  36  16.261   3.939  -1.617
  220    HB2  ARG  36           HB2      ARG  36  14.067   5.895  -1.573
  221    HB3  ARG  36           HB1      ARG  36  15.214   6.016  -0.231
  222    HG2  ARG  36           HG2      ARG  36  16.978   6.537  -1.612
  223    HG3  ARG  36           HG1      ARG  36  16.261   5.726  -2.999
  224    HD2  ARG  36           HD2      ARG  36  15.244   8.315  -1.826
  225    HD3  ARG  36           HD1      ARG  36  16.348   8.209  -3.199
  226    HE   ARG  36           HE       ARG  36  13.552   7.894  -3.241
  227   HH11  ARG  36          HH11      ARG  36  16.509   6.571  -4.851
  228   HH12  ARG  36          HH12      ARG  36  15.591   6.028  -6.199
  229   HH21  ARG  36          HH21      ARG  36  12.464   7.123  -5.304
  230   HH22  ARG  36          HH22      ARG  36  13.499   6.326  -6.433
  231    H    HIS  37           HN       HIS  37  13.811   2.270  -0.698
  232    HA   HIS  37           HA       HIS  37  12.911   2.340   1.831
  233    HB2  HIS  37           HB2      HIS  37  12.606  -0.018   1.730
  234    HB3  HIS  37           HB1      HIS  37  12.309   0.709   0.151
  235    HD1  HIS  37           HD1      HIS  37  13.902  -2.238   1.502
  236    HD2  HIS  37           HD2      HIS  37  14.957   0.510  -1.447
  237    HE1  HIS  37           HE1      HIS  37  15.682  -3.316   0.163
  238    HE2  HIS  37           HE2      HIS  37  16.257  -1.646  -1.665
  239    H    PHE  38           HN       PHE  38  16.405   1.664   1.405
  240    HA   PHE  38           HA       PHE  38  16.197  -0.490   3.262
  241    HB2  PHE  38           HB2      PHE  38  17.936  -0.467   1.453
  242    HB3  PHE  38           HB1      PHE  38  18.828   0.707   2.420
  243    HD1  PHE  38           HD2      PHE  38  17.017  -2.541   3.109
  244    HD2  PHE  38           HD1      PHE  38  20.585  -0.210   3.586
  245    HE1  PHE  38           HE2      PHE  38  18.030  -4.343   4.408
  246    HE2  PHE  38           HE1      PHE  38  21.581  -2.034   4.902
  247    HZ   PHE  38           HZ       PHE  38  20.306  -4.100   5.310
  248    H    ASP  39           HN       ASP  39  17.363   2.804   3.620
  249    HA   ASP  39           HA       ASP  39  17.644   2.380   6.474
  250    HB2  ASP  39           HB2      ASP  39  18.389   4.727   6.493
  251    HB3  ASP  39           HB1      ASP  39  19.235   3.860   5.216
  252    H    HIS  40           HN       HIS  40  15.653   3.913   4.134
  253    HA   HIS  40           HA       HIS  40  13.963   5.371   5.842
  254    HB2  HIS  40           HB2      HIS  40  13.690   4.622   2.953
  255    HB3  HIS  40           HB1      HIS  40  12.439   5.532   3.791
  256    HD1  HIS  40           HD1      HIS  40  16.135   5.860   2.798
  257    HD2  HIS  40           HD2      HIS  40  12.997   8.207   4.197
  258    HE1  HIS  40           HE1      HIS  40  16.848   8.189   2.436
  259    HE2  HIS  40           HE2      HIS  40  15.219   9.461   3.813
  260    H    LEU  41           HN       LEU  41  13.739   2.033   4.956
  261    HA   LEU  41           HA       LEU  41  11.045   2.050   5.990
  262    HB2  LEU  41           HB2      LEU  41  12.584  -0.208   4.797
  263    HB3  LEU  41           HB1      LEU  41  11.004  -0.399   5.533
  264    HG   LEU  41           HG       LEU  41  11.659   1.268   3.113
  265   HD11  LEU  41          HD11      LEU  41  10.360  -0.327   1.944
  266   HD12  LEU  41          HD12      LEU  41   9.893  -1.050   3.504
  267   HD13  LEU  41          HD13      LEU  41  11.561  -1.211   2.934
  268   HD21  LEU  41          HD21      LEU  41   9.047   0.877   4.568
  269   HD22  LEU  41          HD22      LEU  41   9.218   1.602   2.976
  270   HD23  LEU  41          HD23      LEU  41   9.920   2.405   4.377
  271    H    ARG  42           HN       ARG  42  14.070   1.717   7.247
  272    HA   ARG  42           HA       ARG  42  13.222   0.097   9.465
  273    HB2  ARG  42           HB2      ARG  42  15.700   1.627   8.782
  274    HB3  ARG  42           HB1      ARG  42  15.402   1.283  10.473
  275    HG2  ARG  42           HG2      ARG  42  16.913  -0.365   9.433
  276    HG3  ARG  42           HG1      ARG  42  15.451  -1.100  10.060
  277    HD2  ARG  42           HD2      ARG  42  15.883  -0.448   7.119
  278    HD3  ARG  42           HD1      ARG  42  16.261  -2.002   7.849
  279    HE   ARG  42           HE       ARG  42  13.553  -0.896   7.955
  280   HH11  ARG  42          HH11      ARG  42  15.728  -3.469   6.864
  281   HH12  ARG  42          HH12      ARG  42  14.475  -4.530   6.381
  282   HH21  ARG  42          HH21      ARG  42  11.814  -2.352   7.207
  283   HH22  ARG  42          HH22      ARG  42  12.226  -3.868   6.551
  284    H    ALA  43           HN       ALA  43  12.678   3.127   8.417
  285    HA   ALA  43           HA       ALA  43  12.163   4.607  10.744
  286    HB1  ALA  43           HB1      ALA  43  10.932   4.554   8.015
  287    HB2  ALA  43           HB2      ALA  43  12.272   5.572   8.513
  288    HB3  ALA  43           HB3      ALA  43  10.645   5.846   9.182
  289    H    LYS  44           HN       LYS  44  10.099   2.588   8.637
  290    HA   LYS  44           HA       LYS  44   7.916   2.821  10.569
  291    HB2  LYS  44           HB2      LYS  44   8.020   1.814   7.745
  292    HB3  LYS  44           HB1      LYS  44   6.588   1.690   8.755
  293    HG2  LYS  44           HG2      LYS  44   6.431   4.070   8.935
  294    HG3  LYS  44           HG1      LYS  44   7.976   4.277   8.108
  295    HD2  LYS  44           HD2      LYS  44   7.065   3.443   6.060
  296    HD3  LYS  44           HD1      LYS  44   5.572   2.956   6.857
  297    HE2  LYS  44           HE2      LYS  44   6.544   5.796   6.653
  298    HE3  LYS  44           HE1      LYS  44   5.375   5.059   5.558
  299    HZ1  LYS  44           HZ1      LYS  44   4.309   6.356   7.378
  300    HZ2  LYS  44           HZ2      LYS  44   4.972   5.335   8.507
  301    HZ3  LYS  44           HZ3      LYS  44   3.867   4.737   7.363
  302    H    LYS  45           HN       LYS  45  10.173   0.472   9.390
  303    HA   LYS  45           HA       LYS  45  10.591  -1.695   9.915
  304    HB2  LYS  45           HB2      LYS  45   9.480  -0.698  12.522
  305    HB3  LYS  45           HB1      LYS  45  10.260  -2.262  12.345
  306    HG2  LYS  45           HG2      LYS  45  12.333  -1.242  11.745
  307    HG3  LYS  45           HG1      LYS  45  11.579   0.347  11.653
  308    HD2  LYS  45           HD2      LYS  45  11.771  -1.304  14.172
  309    HD3  LYS  45           HD1      LYS  45  12.909  -0.032  13.728
  310    HE2  LYS  45           HE2      LYS  45   9.940   0.325  14.223
  311    HE3  LYS  45           HE1      LYS  45  11.241   0.802  15.305
  312    HZ1  LYS  45           HZ1      LYS  45  10.505   2.727  14.079
  313    HZ2  LYS  45           HZ2      LYS  45  10.647   1.945  12.622
  314    HZ3  LYS  45           HZ3      LYS  45  12.034   2.321  13.477
  315    H    ILE  46           HN       ILE  46   8.299  -1.674   8.430
  316    HA   ILE  46           HA       ILE  46   6.042  -2.885   9.475
  317    HB   ILE  46           HB       ILE  46   6.887  -4.098   6.876
  318   HG12  ILE  46          HG12      ILE  46   5.946  -2.027   5.660
  319   HG13  ILE  46          HG11      ILE  46   6.361  -1.139   7.129
  320   HG21  ILE  46          HG21      ILE  46   4.579  -3.827   6.239
  321   HG22  ILE  46          HG22      ILE  46   4.268  -2.911   7.710
  322   HG23  ILE  46          HG23      ILE  46   4.740  -4.607   7.804
  323   HD11  ILE  46          HD11      ILE  46   8.104  -0.936   5.463
  324   HD12  ILE  46          HD12      ILE  46   8.347  -2.703   5.419
  325   HD13  ILE  46          HD13      ILE  46   8.669  -1.798   6.887
  326    H    LEU  47           HN       LEU  47   8.390  -4.535   7.499
  327    HA   LEU  47           HA       LEU  47   9.182  -6.545   9.219
  328    HB2  LEU  47           HB2      LEU  47   8.099  -8.374   7.701
  329    HB3  LEU  47           HB1      LEU  47   7.164  -7.705   9.017
  330    HG   LEU  47           HG       LEU  47   5.965  -6.250   7.385
  331   HD11  LEU  47          HD11      LEU  47   7.678  -6.153   5.689
  332   HD12  LEU  47          HD12      LEU  47   6.095  -6.559   5.035
  333   HD13  LEU  47          HD13      LEU  47   7.337  -7.823   5.221
  334   HD21  LEU  47          HD21      LEU  47   4.989  -8.343   8.077
  335   HD22  LEU  47          HD22      LEU  47   5.843  -9.188   6.778
  336   HD23  LEU  47          HD23      LEU  47   4.603  -7.989   6.393
  337    H    SER  48           HN       SER  48  10.944  -7.664   8.156
  338    HA   SER  48           HA       SER  48  11.121  -7.004   5.285
  339    HB2  SER  48           HB2      SER  48  13.255  -8.085   7.178
  340    HB3  SER  48           HB1      SER  48  13.531  -7.576   5.514
  341    HG   SER  48           HG       SER  48  12.897  -6.053   7.777
  342    H    ARG  49           HN       ARG  49  10.338  -8.906   4.109
  343    HA   ARG  49           HA       ARG  49  10.257 -11.093   5.955
  344    HB2  ARG  49           HB2      ARG  49   9.305 -11.616   3.192
  345    HB3  ARG  49           HB1      ARG  49   8.724 -12.214   4.709
  346    HG2  ARG  49           HG2      ARG  49   7.690 -10.097   5.209
  347    HG3  ARG  49           HG1      ARG  49   8.305  -9.428   3.692
  348    HD2  ARG  49           HD2      ARG  49   6.528 -11.789   3.989
  349    HD3  ARG  49           HD1      ARG  49   5.957 -10.182   3.472
  350    HE   ARG  49           HE       ARG  49   8.016 -11.524   1.859
  351   HH11  ARG  49          HH11      ARG  49   4.645 -10.424   2.038
  352   HH12  ARG  49          HH12      ARG  49   4.164 -11.184   0.649
  353   HH21  ARG  49          HH21      ARG  49   7.432 -12.497  -0.049
  354   HH22  ARG  49          HH22      ARG  49   5.822 -12.355  -0.686
  355    H    GLU  50           HN       GLU  50  10.807 -11.426   2.516
  356    HA   GLU  50           HA       GLU  50  13.395 -12.548   2.940
  357    HB2  GLU  50           HB2      GLU  50  13.195 -13.582   0.720
  358    HB3  GLU  50           HB1      GLU  50  11.872 -14.058   1.753
  359    HG2  GLU  50           HG2      GLU  50  11.768 -12.111  -0.560
  360    HG3  GLU  50           HG1      GLU  50  11.108 -13.737  -0.527
  361    H    ASP  51           HN       ASP  51  11.719 -10.515   0.735
  362    HA   ASP  51           HA       ASP  51  14.010  -9.726  -0.804
  363    HB2  ASP  51           HB2      ASP  51  11.861 -10.429  -1.743
  364    HB3  ASP  51           HB1      ASP  51  11.079  -9.062  -0.986
  365    H    THR  52           HN       THR  52  12.243  -8.312   1.758
  366    HA   THR  52           HA       THR  52  12.071  -5.613   1.214
  367    HB   THR  52           HB       THR  52  12.725  -6.794   3.893
  368    HG1  THR  52           HG1      THR  52  10.355  -6.812   2.353
  369   HG21  THR  52          HG21      THR  52  12.530  -4.298   3.933
  370   HG22  THR  52          HG22      THR  52  11.160  -5.050   4.773
  371   HG23  THR  52          HG23      THR  52  10.922  -4.395   3.194
  372    H    ARG  53           HN       ARG  53  14.972  -7.351   1.902
  373    HA   ARG  53           HA       ARG  53  16.578  -5.093   2.783
  374    HB2  ARG  53           HB2      ARG  53  17.477  -7.794   1.804
  375    HB3  ARG  53           HB1      ARG  53  18.375  -6.669   2.804
  376    HG2  ARG  53           HG2      ARG  53  17.076  -7.145   4.695
  377    HG3  ARG  53           HG1      ARG  53  15.817  -7.928   3.732
  378    HD2  ARG  53           HD2      ARG  53  18.639  -8.935   4.113
  379    HD3  ARG  53           HD1      ARG  53  17.196  -9.583   4.895
  380    HE   ARG  53           HE       ARG  53  17.030  -9.557   2.006
  381   HH11  ARG  53          HH11      ARG  53  18.054 -11.484   4.788
  382   HH12  ARG  53          HH12      ARG  53  18.013 -12.964   3.937
  383   HH21  ARG  53          HH21      ARG  53  16.990 -11.472   0.863
  384   HH22  ARG  53          HH22      ARG  53  17.380 -12.964   1.587
  385    H    GLU  54           HN       GLU  54  16.481  -7.302   0.065
  386    HA   GLU  54           HA       GLU  54  18.448  -5.868  -1.394
  387    HB2  GLU  54           HB2      GLU  54  18.476  -7.796  -2.902
  388    HB3  GLU  54           HB1      GLU  54  18.798  -8.190  -1.222
  389    HG2  GLU  54           HG2      GLU  54  16.021  -8.443  -2.220
  390    HG3  GLU  54           HG1      GLU  54  17.200  -9.636  -2.738
  391    H    ILE  55           HN       ILE  55  15.059  -5.714  -1.545
  392    HA   ILE  55           HA       ILE  55  14.101  -6.068  -4.010
  393    HB   ILE  55           HB       ILE  55  12.321  -4.567  -3.738
  394   HG12  ILE  55          HG12      ILE  55  14.086  -2.653  -2.188
  395   HG13  ILE  55          HG11      ILE  55  13.621  -2.460  -3.873
  396   HG21  ILE  55          HG21      ILE  55  11.796  -4.349  -1.399
  397   HG22  ILE  55          HG22      ILE  55  13.457  -4.774  -0.978
  398   HG23  ILE  55          HG23      ILE  55  12.415  -5.944  -1.798
  399   HD11  ILE  55          HD11      ILE  55  11.750  -2.444  -1.503
  400   HD12  ILE  55          HD12      ILE  55  11.268  -2.266  -3.190
  401   HD13  ILE  55          HD13      ILE  55  12.281  -1.042  -2.426
  402    H    SER  56           HN       SER  56  16.272  -3.361  -3.436
  403    HA   SER  56           HA       SER  56  15.791  -1.890  -5.769
  404    HB2  SER  56           HB2      SER  56  18.337  -2.055  -4.153
  405    HB3  SER  56           HB1      SER  56  17.808  -0.716  -5.174
  406    HG   SER  56           HG       SER  56  16.577  -0.027  -3.662
  407    H    CYS  57           HN       CYS  57  17.645  -4.798  -5.231
  408    HA   CYS  57           HA       CYS  57  19.191  -4.508  -7.672
  409    HB2  CYS  57           HB2      CYS  57  20.227  -5.550  -5.707
  410    HB3  CYS  57           HB1      CYS  57  18.985  -6.793  -5.696
  411    HG   CYS  57           HG       CYS  57  20.087  -7.074  -8.611
  412    H    ARG  58           HN       ARG  58  16.250  -5.906  -6.632
  413    HA   ARG  58           HA       ARG  58  16.043  -7.629  -8.967
  414    HB2  ARG  58           HB2      ARG  58  14.269  -7.415  -6.528
  415    HB3  ARG  58           HB1      ARG  58  13.937  -8.482  -7.889
  416    HG2  ARG  58           HG2      ARG  58  16.084  -9.623  -7.501
  417    HG3  ARG  58           HG1      ARG  58  16.375  -8.577  -6.115
  418    HD2  ARG  58           HD2      ARG  58  14.325  -9.470  -5.064
  419    HD3  ARG  58           HD1      ARG  58  14.126 -10.567  -6.431
  420    HE   ARG  58           HE       ARG  58  16.432 -11.378  -5.770
  421   HH11  ARG  58          HH11      ARG  58  13.964 -10.300  -3.435
  422   HH12  ARG  58          HH12      ARG  58  14.709 -11.083  -2.118
  423   HH21  ARG  58          HH21      ARG  58  17.415 -12.479  -3.843
  424   HH22  ARG  58          HH22      ARG  58  16.654 -12.218  -2.332
  425    H    THR  59           HN       THR  59  15.775  -4.616  -8.675
  426    HA   THR  59           HA       THR  59  13.365  -3.577  -9.190
  427    HB   THR  59           HB       THR  59  16.080  -2.819 -10.147
  428    HG1  THR  59           HG1      THR  59  16.113  -1.967  -8.288
  429   HG21  THR  59          HG21      THR  59  14.986  -0.514 -10.657
  430   HG22  THR  59          HG22      THR  59  13.471  -1.458 -10.834
  431   HG23  THR  59          HG23      THR  59  14.844  -1.802 -11.837
  432    H    SER  60           HN       SER  60  11.889  -3.864 -10.541
  433    HA   SER  60           HA       SER  60  12.451  -4.219 -13.387
  434    HB2  SER  60           HB2      SER  60   9.900  -4.880 -11.879
  435    HB3  SER  60           HB1      SER  60  10.305  -5.343 -13.532
  436    HG   SER  60           HG       SER  60  12.215  -6.240 -11.916
  437    H    SER  61           HN       SER  61  11.076  -2.714 -14.704
  438    HA   SER  61           HA       SER  61  11.322  -0.173 -14.278
  439    HB2  SER  61           HB2      SER  61   8.789  -1.264 -15.468
  440    HB3  SER  61           HB1      SER  61   9.650   0.215 -15.916
  441    HG   SER  61           HG       SER  61  10.888  -0.944 -17.154
  442    H    ARG  62           HN       ARG  62   7.984  -1.337 -13.580
  443    HA   ARG  62           HA       ARG  62   7.711   0.926 -11.785
  444    HB2  ARG  62           HB2      ARG  62   5.855   0.750 -13.222
  445    HB3  ARG  62           HB1      ARG  62   5.729  -0.986 -12.995
  446    HG2  ARG  62           HG2      ARG  62   4.688  -0.762 -10.924
  447    HG3  ARG  62           HG1      ARG  62   5.266   0.889 -10.725
  448    HD2  ARG  62           HD2      ARG  62   3.307   0.086 -12.859
  449    HD3  ARG  62           HD1      ARG  62   2.811   0.635 -11.254
  450    HE   ARG  62           HE       ARG  62   4.635   2.484 -12.300
  451   HH11  ARG  62          HH11      ARG  62   1.322   1.461 -12.908
  452   HH12  ARG  62          HH12      ARG  62   0.823   2.979 -13.516
  453   HH21  ARG  62          HH21      ARG  62   4.071   4.380 -13.007
  454   HH22  ARG  62          HH22      ARG  62   2.507   4.814 -13.590
  455    H    LYS  63           HN       LYS  63   8.179  -2.433 -11.585
  456    HA   LYS  63           HA       LYS  63   7.103  -2.666  -9.005
  457    HB2  LYS  63           HB2      LYS  63   8.394  -4.595 -10.750
  458    HB3  LYS  63           HB1      LYS  63   8.565  -4.894  -9.024
  459    HG2  LYS  63           HG2      LYS  63   6.007  -4.641 -10.596
  460    HG3  LYS  63           HG1      LYS  63   6.610  -6.054  -9.721
  461    HD2  LYS  63           HD2      LYS  63   6.565  -4.487  -7.652
  462    HD3  LYS  63           HD1      LYS  63   5.489  -3.494  -8.619
  463    HE2  LYS  63           HE2      LYS  63   4.050  -5.340  -8.970
  464    HE3  LYS  63           HE1      LYS  63   5.008  -6.367  -7.904
  465    HZ1  LYS  63           HZ1      LYS  63   3.332  -5.634  -6.573
  466    HZ2  LYS  63           HZ2      LYS  63   3.260  -4.055  -7.151
  467    HZ3  LYS  63           HZ3      LYS  63   4.524  -4.552  -6.132
  468    H    ARG  64           HN       ARG  64  10.134  -1.639  -9.898
  469    HA   ARG  64           HA       ARG  64  11.725  -2.165  -7.819
  470    HB2  ARG  64           HB2      ARG  64  12.601   0.214  -8.025
  471    HB3  ARG  64           HB1      ARG  64  12.463  -0.667  -9.541
  472    HG2  ARG  64           HG2      ARG  64  10.393   0.430 -10.055
  473    HG3  ARG  64           HG1      ARG  64  10.401   1.254  -8.501
  474    HD2  ARG  64           HD2      ARG  64  12.460   2.419  -9.211
  475    HD3  ARG  64           HD1      ARG  64  12.304   1.649 -10.797
  476    HE   ARG  64           HE       ARG  64   9.960   2.704 -10.706
  477   HH11  ARG  64          HH11      ARG  64  12.928   4.219  -9.499
  478   HH12  ARG  64          HH12      ARG  64  12.395   5.807  -9.737
  479   HH21  ARG  64          HH21      ARG  64   9.118   4.829 -10.925
  480   HH22  ARG  64          HH22      ARG  64  10.088   6.181 -10.594
  481    H    ALA  65           HN       ALA  65   9.110   0.182  -7.725
  482    HA   ALA  65           HA       ALA  65   9.590   0.826  -4.977
  483    HB1  ALA  65           HB1      ALA  65   7.525   1.699  -6.962
  484    HB2  ALA  65           HB2      ALA  65   8.967   2.581  -6.455
  485    HB3  ALA  65           HB3      ALA  65   7.638   2.305  -5.315
  486    H    GLY  66           HN       GLY  66   7.261  -0.682  -7.091
  487    HA2  GLY  66           HA2      GLY  66   5.161  -1.197  -5.346
  488    HA3  GLY  66           HA1      GLY  66   5.457  -2.012  -6.860
  489    H    LYS  67           HN       LYS  67   8.146  -2.888  -5.629
  490    HA   LYS  67           HA       LYS  67   7.425  -5.467  -4.850
  491    HB2  LYS  67           HB2      LYS  67   9.908  -3.866  -4.374
  492    HB3  LYS  67           HB1      LYS  67   9.795  -5.548  -3.853
  493    HG2  LYS  67           HG2      LYS  67   9.571  -4.503  -6.680
  494    HG3  LYS  67           HG1      LYS  67  10.999  -5.248  -5.975
  495    HD2  LYS  67           HD2      LYS  67   8.324  -6.621  -6.351
  496    HD3  LYS  67           HD1      LYS  67   9.714  -6.793  -7.416
  497    HE2  LYS  67           HE2      LYS  67   9.565  -7.600  -4.508
  498    HE3  LYS  67           HE1      LYS  67   9.619  -8.676  -5.904
  499    HZ1  LYS  67           HZ1      LYS  67  11.880  -7.786  -6.398
  500    HZ2  LYS  67           HZ2      LYS  67  11.778  -8.451  -4.818
  501    HZ3  LYS  67           HZ3      LYS  67  11.751  -6.843  -4.990
  502    H    LEU  68           HN       LEU  68   8.120  -2.641  -2.874
  503    HA   LEU  68           HA       LEU  68   8.042  -4.003  -0.400
  504    HB2  LEU  68           HB2      LEU  68   9.077  -2.137  -0.142
  505    HB3  LEU  68           HB1      LEU  68   8.088  -1.179  -1.260
  506    HG   LEU  68           HG       LEU  68   6.339  -1.419   0.690
  507   HD11  LEU  68          HD11      LEU  68   7.270  -2.939   1.992
  508   HD12  LEU  68          HD12      LEU  68   7.288  -1.406   2.886
  509   HD13  LEU  68          HD13      LEU  68   8.783  -2.049   2.167
  510   HD21  LEU  68          HD21      LEU  68   7.190   0.635   1.759
  511   HD22  LEU  68          HD22      LEU  68   7.219   0.723  -0.000
  512   HD23  LEU  68          HD23      LEU  68   8.711   0.433   0.889
  513    H    LEU  69           HN       LEU  69   5.627  -2.174  -2.104
  514    HA   LEU  69           HA       LEU  69   3.743  -2.567  -0.037
  515    HB2  LEU  69           HB2      LEU  69   2.320  -1.856  -2.412
  516    HB3  LEU  69           HB1      LEU  69   2.691  -0.883  -1.034
  517    HG   LEU  69           HG       LEU  69   4.597  -1.054  -3.411
  518   HD11  LEU  69          HD11      LEU  69   3.754   1.079  -4.073
  519   HD12  LEU  69          HD12      LEU  69   2.734   1.163  -2.656
  520   HD13  LEU  69          HD13      LEU  69   2.357  -0.007  -3.941
  521   HD21  LEU  69          HD21      LEU  69   4.438   0.891  -1.108
  522   HD22  LEU  69          HD22      LEU  69   5.631   0.910  -2.410
  523   HD23  LEU  69          HD23      LEU  69   5.615  -0.408  -1.235
  524    H    ASP  70           HN       ASP  70   4.896  -4.417  -2.527
  525    HA   ASP  70           HA       ASP  70   2.624  -6.080  -3.064
  526    HB2  ASP  70           HB2      ASP  70   4.868  -5.653  -4.421
  527    HB3  ASP  70           HB1      ASP  70   5.456  -6.980  -3.429
  528    H    TYR  71           HN       TYR  71   5.599  -6.280  -1.161
  529    HA   TYR  71           HA       TYR  71   4.787  -8.711  -0.040
  530    HB2  TYR  71           HB2      TYR  71   6.854  -8.616   1.454
  531    HB3  TYR  71           HB1      TYR  71   7.077  -8.781  -0.263
  532    HD1  TYR  71           HD2      TYR  71   6.973  -5.880   2.277
  533    HD2  TYR  71           HD1      TYR  71   8.944  -7.637  -1.128
  534    HE1  TYR  71           HE2      TYR  71   8.667  -4.255   2.382
  535    HE2  TYR  71           HE1      TYR  71  10.599  -5.939  -0.991
  536    HH   TYR  71           HH       TYR  71  10.829  -3.690  -0.130
  537    H    LEU  72           HN       LEU  72   3.839  -5.724   0.909
  538    HA   LEU  72           HA       LEU  72   3.427  -6.482   3.725
  539    HB2  LEU  72           HB2      LEU  72   2.080  -4.173   2.383
  540    HB3  LEU  72           HB1      LEU  72   2.319  -4.444   4.077
  541    HG   LEU  72           HG       LEU  72   4.110  -3.287   2.044
  542   HD11  LEU  72          HD11      LEU  72   4.564  -1.755   3.920
  543   HD12  LEU  72          HD12      LEU  72   3.309  -2.603   4.836
  544   HD13  LEU  72          HD13      LEU  72   2.922  -1.786   3.315
  545   HD21  LEU  72          HD21      LEU  72   5.124  -4.542   4.563
  546   HD22  LEU  72          HD22      LEU  72   5.939  -3.385   3.456
  547   HD23  LEU  72          HD23      LEU  72   5.447  -4.987   2.858
  548    H    GLN  73           HN       GLN  73   1.823  -7.097   0.792
  549    HA   GLN  73           HA       GLN  73  -0.784  -6.216   1.388
  550    HB2  GLN  73           HB2      GLN  73   0.335  -6.785  -0.902
  551    HB3  GLN  73           HB1      GLN  73  -0.304  -8.393  -0.609
  552    HG2  GLN  73           HG2      GLN  73  -2.144  -5.964  -0.562
  553    HG3  GLN  73           HG1      GLN  73  -1.782  -6.895  -2.047
  554   HE21  GLN  73          HE21      GLN  73  -4.027  -6.053  -0.708
  555   HE22  GLN  73          HE22      GLN  73  -4.810  -7.412  -0.054
  556    H    GLU  74           HN       GLU  74   0.670  -9.439   1.813
  557    HA   GLU  74           HA       GLU  74  -1.880 -10.508   2.587
  558    HB2  GLU  74           HB2      GLU  74  -0.643 -12.650   3.072
  559    HB3  GLU  74           HB1      GLU  74  -0.524 -12.089   1.421
  560    HG2  GLU  74           HG2      GLU  74   1.622 -11.647   3.483
  561    HG3  GLU  74           HG1      GLU  74   1.561 -13.060   2.436
  562    H    ASN  75           HN       ASN  75  -0.106  -8.506   4.058
  563    HA   ASN  75           HA       ASN  75  -0.752  -9.437   6.749
  564    HB2  ASN  75           HB2      ASN  75   1.614  -8.577   6.397
  565    HB3  ASN  75           HB1      ASN  75   0.932  -7.028   5.926
  566   HD21  ASN  75          HD21      ASN  75   2.755  -7.635   8.092
  567   HD22  ASN  75          HD22      ASN  75   1.979  -7.120   9.548
  568    HA   PRO  76           HA       PRO  76  -4.638  -7.571   5.163
  569    HB2  PRO  76           HB2      PRO  76  -4.981  -7.730   8.129
  570    HB3  PRO  76           HB1      PRO  76  -6.167  -8.058   6.844
  571    HG2  PRO  76           HG2      PRO  76  -4.900 -10.053   7.992
  572    HG3  PRO  76           HG1      PRO  76  -5.213 -10.053   6.245
  573    HD2  PRO  76           HD2      PRO  76  -2.657  -9.747   7.665
  574    HD3  PRO  76           HD1      PRO  76  -2.964 -10.251   5.994
  575    H    LYS  77           HN       LYS  77  -3.100  -6.111   8.078
  576    HA   LYS  77           HA       LYS  77  -4.112  -3.547   7.056
  577    HB2  LYS  77           HB2      LYS  77  -5.215  -4.501   9.213
  578    HB3  LYS  77           HB1      LYS  77  -3.708  -4.083  10.007
  579    HG2  LYS  77           HG2      LYS  77  -5.395  -2.350  10.367
  580    HG3  LYS  77           HG1      LYS  77  -4.053  -1.716   9.411
  581    HD2  LYS  77           HD2      LYS  77  -5.361  -2.022   7.357
  582    HD3  LYS  77           HD1      LYS  77  -6.696  -2.688   8.298
  583    HE2  LYS  77           HE2      LYS  77  -5.600   0.101   8.667
  584    HE3  LYS  77           HE1      LYS  77  -6.928  -0.280   7.579
  585    HZ1  LYS  77           HZ1      LYS  77  -8.256  -0.996   9.438
  586    HZ2  LYS  77           HZ2      LYS  77  -7.707   0.500   9.785
  587    HZ3  LYS  77           HZ3      LYS  77  -7.013  -0.841  10.517
  588    H    GLY  78           HN       GLY  78  -1.535  -5.090   6.839
  589    HA2  GLY  78           HA2      GLY  78   0.456  -3.433   8.195
  590    HA3  GLY  78           HA1      GLY  78   0.730  -4.844   7.195
  591    H    LEU  79           HN       LEU  79  -0.877  -3.884   5.003
  592    HA   LEU  79           HA       LEU  79   1.156  -2.458   3.630
  593    HB2  LEU  79           HB2      LEU  79  -0.282  -4.060   2.483
  594    HB3  LEU  79           HB1      LEU  79  -1.690  -3.094   2.833
  595    HG   LEU  79           HG       LEU  79  -1.031  -1.423   1.193
  596   HD11  LEU  79          HD11      LEU  79   0.919  -1.760  -0.208
  597   HD12  LEU  79          HD12      LEU  79   1.457  -3.069   0.823
  598   HD13  LEU  79          HD13      LEU  79   1.384  -1.408   1.464
  599   HD21  LEU  79          HD21      LEU  79  -2.162  -3.426   0.389
  600   HD22  LEU  79          HD22      LEU  79  -0.584  -4.164   0.076
  601   HD23  LEU  79          HD23      LEU  79  -1.067  -2.729  -0.820
  602    H    ASP  80           HN       ASP  80  -1.508  -1.503   5.457
  603    HA   ASP  80           HA       ASP  80  -2.036   1.086   4.485
  604    HB2  ASP  80           HB2      ASP  80  -2.468  -0.023   7.268
  605    HB3  ASP  80           HB1      ASP  80  -3.310   1.339   6.536
  606    H    THR  81           HN       THR  81   0.473  -0.207   6.369
  607    HA   THR  81           HA       THR  81   1.353   1.892   7.967
  608    HB   THR  81           HB       THR  81   2.906  -0.258   6.506
  609    HG1  THR  81           HG1      THR  81   1.781  -1.392   7.822
  610   HG21  THR  81          HG21      THR  81   3.772   1.381   8.912
  611   HG22  THR  81          HG22      THR  81   4.454   1.454   7.278
  612   HG23  THR  81          HG23      THR  81   4.643  -0.001   8.233
  613    H    LEU  82           HN       LEU  82   1.577   1.441   4.524
  614    HA   LEU  82           HA       LEU  82   3.765   3.316   4.206
  615    HB2  LEU  82           HB2      LEU  82   2.214   1.801   2.138
  616    HB3  LEU  82           HB1      LEU  82   3.692   2.702   1.867
  617    HG   LEU  82           HG       LEU  82   3.413   0.209   3.544
  618   HD11  LEU  82          HD11      LEU  82   4.752  -0.858   1.923
  619   HD12  LEU  82          HD12      LEU  82   4.862   0.624   0.967
  620   HD13  LEU  82          HD13      LEU  82   3.306  -0.197   1.157
  621   HD21  LEU  82          HD21      LEU  82   5.872   0.310   3.769
  622   HD22  LEU  82          HD22      LEU  82   5.076   1.670   4.545
  623   HD23  LEU  82          HD23      LEU  82   5.862   1.892   2.983
  624    H    VAL  83           HN       VAL  83   0.301   3.195   3.434
  625    HA   VAL  83           HA       VAL  83   0.201   5.462   1.783
  626    HB   VAL  83           HB       VAL  83  -1.717   3.991   1.767
  627   HG11  VAL  83          HG11      VAL  83  -2.173   4.737   4.652
  628   HG12  VAL  83          HG12      VAL  83  -1.597   3.179   4.066
  629   HG13  VAL  83          HG13      VAL  83  -3.229   3.721   3.669
  630   HG21  VAL  83          HG21      VAL  83  -2.248   6.321   1.293
  631   HG22  VAL  83          HG22      VAL  83  -2.487   6.608   3.017
  632   HG23  VAL  83          HG23      VAL  83  -3.600   5.550   2.140
  633    H    GLU  84           HN       GLU  84   0.313   5.211   5.156
  634    HA   GLU  84           HA       GLU  84  -0.681   7.560   6.113
  635    HB2  GLU  84           HB2      GLU  84   0.025   5.703   7.510
  636    HB3  GLU  84           HB1      GLU  84   1.682   5.890   7.003
  637    HG2  GLU  84           HG2      GLU  84   0.208   7.923   8.673
  638    HG3  GLU  84           HG1      GLU  84   1.142   6.596   9.349
  639    H    SER  85           HN       SER  85   2.592   7.085   4.758
  640    HA   SER  85           HA       SER  85   3.291   9.800   5.388
  641    HB2  SER  85           HB2      SER  85   4.794   7.731   3.796
  642    HB3  SER  85           HB1      SER  85   5.455   9.242   4.431
  643    HG   SER  85           HG       SER  85   4.359   8.177   6.495
  644    H    ILE  86           HN       ILE  86   1.796   8.216   2.785
  645    HA   ILE  86           HA       ILE  86   2.605   9.975   0.701
  646    HB   ILE  86           HB       ILE  86   0.174   8.135   0.801
  647   HG12  ILE  86          HG12      ILE  86   2.961   7.694  -0.283
  648   HG13  ILE  86          HG11      ILE  86   2.240   6.895   1.109
  649   HG21  ILE  86          HG21      ILE  86   0.224   8.257  -1.660
  650   HG22  ILE  86          HG22      ILE  86   1.557   9.409  -1.579
  651   HG23  ILE  86          HG23      ILE  86  -0.030   9.854  -0.954
  652   HD11  ILE  86          HD11      ILE  86   1.338   6.655  -1.739
  653   HD12  ILE  86          HD12      ILE  86   0.595   5.848  -0.365
  654   HD13  ILE  86          HD13      ILE  86   2.249   5.441  -0.840
  655    H    ARG  87           HN       ARG  87   0.434  10.164   3.257
  656    HA   ARG  87           HA       ARG  87  -1.625  11.874   2.604
  657    HB2  ARG  87           HB2      ARG  87  -1.208  10.842   4.840
  658    HB3  ARG  87           HB1      ARG  87   0.153  11.914   5.038
  659    HG2  ARG  87           HG2      ARG  87  -1.373  13.811   5.093
  660    HG3  ARG  87           HG1      ARG  87  -2.738  12.694   4.926
  661    HD2  ARG  87           HD2      ARG  87  -2.368  13.221   7.259
  662    HD3  ARG  87           HD1      ARG  87  -2.028  11.525   6.947
  663    HE   ARG  87           HE       ARG  87   0.077  13.569   7.154
  664   HH11  ARG  87          HH11      ARG  87  -1.145  10.331   8.079
  665   HH12  ARG  87          HH12      ARG  87   0.418   9.846   8.629
  666   HH21  ARG  87          HH21      ARG  87   2.207  12.695   8.065
  667   HH22  ARG  87          HH22      ARG  87   2.153  11.064   8.601
  668    H    ARG  88           HN       ARG  88   1.771  12.540   2.580
  669    HA   ARG  88           HA       ARG  88   1.636  15.453   2.662
  670    HB2  ARG  88           HB2      ARG  88   3.385  14.666   3.979
  671    HB3  ARG  88           HB1      ARG  88   3.766  13.367   2.890
  672    HG2  ARG  88           HG2      ARG  88   5.569  15.066   3.174
  673    HG3  ARG  88           HG1      ARG  88   5.080  14.829   1.507
  674    HD2  ARG  88           HD2      ARG  88   5.534  17.197   2.222
  675    HD3  ARG  88           HD1      ARG  88   3.993  16.917   1.435
  676    HE   ARG  88           HE       ARG  88   4.367  17.265   4.329
  677   HH11  ARG  88          HH11      ARG  88   2.458  17.588   1.373
  678   HH12  ARG  88          HH12      ARG  88   1.252  18.566   2.020
  679   HH21  ARG  88          HH21      ARG  88   2.666  18.715   5.305
  680   HH22  ARG  88          HH22      ARG  88   1.385  19.238   4.308
  681    H    GLU  89           HN       GLU  89   1.163  13.254   0.242
  682    HA   GLU  89           HA       GLU  89   3.043  13.249  -1.653
  683    HB2  GLU  89           HB2      GLU  89   0.859  12.034  -1.531
  684    HB3  GLU  89           HB1      GLU  89   0.105  13.418  -2.275
  685    HG2  GLU  89           HG2      GLU  89   2.342  11.983  -3.626
  686    HG3  GLU  89           HG1      GLU  89   0.716  11.332  -3.675
  687    H    LYS  90           HN       LYS  90   0.306  15.422  -2.630
  688    HA   LYS  90           HA       LYS  90   2.391  17.211  -3.682
  689    HB2  LYS  90           HB2      LYS  90  -0.557  17.145  -4.292
  690    HB3  LYS  90           HB1      LYS  90   0.521  18.409  -4.873
  691    HG2  LYS  90           HG2      LYS  90   1.836  16.787  -6.070
  692    HG3  LYS  90           HG1      LYS  90   0.852  15.479  -5.417
  693    HD2  LYS  90           HD2      LYS  90  -1.114  16.446  -6.559
  694    HD3  LYS  90           HD1      LYS  90  -0.060  17.668  -7.277
  695    HE2  LYS  90           HE2      LYS  90  -0.470  15.792  -8.813
  696    HE3  LYS  90           HE1      LYS  90   1.235  15.937  -8.384
  697    HZ1  LYS  90           HZ1      LYS  90  -0.657  14.043  -7.084
  698    HZ2  LYS  90           HZ2      LYS  90   0.947  14.138  -6.769
  699    HZ3  LYS  90           HZ3      LYS  90   0.431  13.602  -8.296
  700    H    THR  91           HN       THR  91  -0.708  17.700  -2.193
  701    HA   THR  91           HA       THR  91   0.298  20.034  -0.753
  702    HB   THR  91           HB       THR  91  -2.234  20.459  -0.562
  703    HG1  THR  91           HG1      THR  91  -3.460  19.388  -2.209
  704   HG21  THR  91          HG21      THR  91  -0.961  20.487  -3.315
  705   HG22  THR  91          HG22      THR  91  -0.790  21.749  -2.096
  706   HG23  THR  91          HG23      THR  91  -2.364  21.439  -2.829
  707    H    GLN  92           HN       GLN  92  -1.920  17.376  -0.641
  708    HA   GLN  92           HA       GLN  92  -0.883  16.113   1.537
  709    HB2  GLN  92           HB2      GLN  92  -2.781  16.407   3.215
  710    HB3  GLN  92           HB1      GLN  92  -1.684  17.761   3.065
  711    HG2  GLN  92           HG2      GLN  92  -3.364  18.964   1.727
  712    HG3  GLN  92           HG1      GLN  92  -4.456  17.588   1.863
  713   HE21  GLN  92          HE21      GLN  92  -3.004  20.242   3.544
  714   HE22  GLN  92          HE22      GLN  92  -4.065  20.151   4.915
  715    H    ASN  93           HN       ASN  93  -4.266  16.572   0.615
  716    HA   ASN  93           HA       ASN  93  -4.697  13.756   0.872
  717    HB2  ASN  93           HB2      ASN  93  -7.065  14.303   0.659
  718    HB3  ASN  93           HB1      ASN  93  -6.278  15.304   1.874
  719   HD21  ASN  93          HD21      ASN  93  -8.744  15.766   0.330
  720   HD22  ASN  93          HD22      ASN  93  -8.501  17.273  -0.469
  721    H    PHE  94           HN       PHE  94  -3.754  15.505  -1.759
  722    HA   PHE  94           HA       PHE  94  -5.441  14.963  -3.857
  723    HB2  PHE  94           HB2      PHE  94  -3.330  16.260  -4.061
  724    HB3  PHE  94           HB1      PHE  94  -2.426  14.753  -4.044
  725    HD1  PHE  94           HD1      PHE  94  -2.478  13.248  -5.993
  726    HD2  PHE  94           HD2      PHE  94  -4.565  16.959  -6.002
  727    HE1  PHE  94           HE1      PHE  94  -2.721  13.101  -8.437
  728    HE2  PHE  94           HE2      PHE  94  -4.811  16.813  -8.448
  729    HZ   PHE  94           HZ       PHE  94  -3.891  14.882  -9.665
  730    H    LEU  95           HN       LEU  95  -2.689  12.770  -3.180
  731    HA   LEU  95           HA       LEU  95  -3.503  10.638  -4.886
  732    HB2  LEU  95           HB2      LEU  95  -1.368  11.226  -3.092
  733    HB3  LEU  95           HB1      LEU  95  -2.135   9.818  -2.527
  734    HG   LEU  95           HG       LEU  95  -0.270   9.157  -3.905
  735   HD11  LEU  95          HD11      LEU  95  -2.898   8.402  -5.142
  736   HD12  LEU  95          HD12      LEU  95  -2.131   7.651  -3.733
  737   HD13  LEU  95          HD13      LEU  95  -1.349   7.566  -5.316
  738   HD21  LEU  95          HD21      LEU  95  -0.250  11.007  -5.479
  739   HD22  LEU  95          HD22      LEU  95  -1.744  10.396  -6.218
  740   HD23  LEU  95          HD23      LEU  95  -0.257   9.434  -6.265
  741    H    ILE  96           HN       ILE  96  -4.171  11.588  -1.738
  742    HA   ILE  96           HA       ILE  96  -4.792   9.098  -0.528
  743    HB   ILE  96           HB       ILE  96  -5.643  11.778   0.595
  744   HG12  ILE  96          HG12      ILE  96  -3.406  12.182  -0.330
  745   HG13  ILE  96          HG11      ILE  96  -3.360  12.144   1.434
  746   HG21  ILE  96          HG21      ILE  96  -6.106   9.981   2.111
  747   HG22  ILE  96          HG22      ILE  96  -4.531  10.707   2.630
  748   HG23  ILE  96          HG23      ILE  96  -4.553   9.221   1.726
  749   HD11  ILE  96          HD11      ILE  96  -2.514  10.031  -0.492
  750   HD12  ILE  96          HD12      ILE  96  -2.503   9.862   1.283
  751   HD13  ILE  96          HD13      ILE  96  -1.496  11.089   0.483
  752    H    GLN  97           HN       GLN  97  -6.570  11.603  -2.160
  753    HA   GLN  97           HA       GLN  97  -9.167  10.746  -1.427
  754    HB2  GLN  97           HB2      GLN  97  -8.283  12.299  -3.871
  755    HB3  GLN  97           HB1      GLN  97  -9.950  12.085  -3.361
  756    HG2  GLN  97           HG2      GLN  97  -7.792  13.547  -1.851
  757    HG3  GLN  97           HG1      GLN  97  -9.129  14.276  -2.736
  758   HE21  GLN  97          HE21      GLN  97  -8.195  12.540   0.115
  759   HE22  GLN  97          HE22      GLN  97  -9.676  12.788   0.981
  760    H    LYS  98           HN       LYS  98  -6.931   9.904  -4.007
  761    HA   LYS  98           HA       LYS  98  -8.726   8.357  -5.561
  762    HB2  LYS  98           HB2      LYS  98  -6.528   9.117  -6.446
  763    HB3  LYS  98           HB1      LYS  98  -5.709   8.057  -5.307
  764    HG2  LYS  98           HG2      LYS  98  -5.693   6.861  -7.367
  765    HG3  LYS  98           HG1      LYS  98  -6.956   6.150  -6.384
  766    HD2  LYS  98           HD2      LYS  98  -8.581   7.778  -7.542
  767    HD3  LYS  98           HD1      LYS  98  -7.295   7.996  -8.727
  768    HE2  LYS  98           HE2      LYS  98  -8.774   6.298  -9.531
  769    HE3  LYS  98           HE1      LYS  98  -7.268   5.519  -9.033
  770    HZ1  LYS  98           HZ1      LYS  98  -9.830   5.587  -7.516
  771    HZ2  LYS  98           HZ2      LYS  98  -8.400   5.064  -6.861
  772    HZ3  LYS  98           HZ3      LYS  98  -9.067   4.214  -8.122
  773    H    ILE  99           HN       ILE  99  -6.687   7.679  -2.852
  774    HA   ILE  99           HA       ILE  99  -7.023   4.852  -2.833
  775    HB   ILE  99           HB       ILE  99  -6.176   6.724  -0.597
  776   HG12  ILE  99          HG12      ILE  99  -4.498   5.144  -2.564
  777   HG13  ILE  99          HG11      ILE  99  -4.811   6.869  -2.673
  778   HG21  ILE  99          HG21      ILE  99  -5.116   4.732   0.392
  779   HG22  ILE  99          HG22      ILE  99  -5.778   3.738  -0.904
  780   HG23  ILE  99          HG23      ILE  99  -6.863   4.520   0.246
  781   HD11  ILE  99          HD11      ILE  99  -3.312   5.454  -0.486
  782   HD12  ILE  99          HD12      ILE  99  -3.647   7.183  -0.537
  783   HD13  ILE  99          HD13      ILE  99  -2.618   6.449  -1.766
  784    H    THR 100           HN       THR 100  -8.496   7.523  -1.043
  785    HA   THR 100           HA       THR 100 -10.289   6.072   0.553
  786    HB   THR 100           HB       THR 100 -10.649   8.853  -0.633
  787    HG1  THR 100           HG1      THR 100  -8.684   8.718   0.519
  788   HG21  THR 100          HG21      THR 100 -12.700   7.966   0.410
  789   HG22  THR 100          HG22      THR 100 -12.027   9.292   1.357
  790   HG23  THR 100          HG23      THR 100 -11.798   7.627   1.888
  791    H    ASP 101           HN       ASP 101 -10.578   7.473  -2.667
  792    HA   ASP 101           HA       ASP 101 -13.146   6.913  -3.393
  793    HB2  ASP 101           HB2      ASP 101 -11.979   8.209  -4.918
  794    HB3  ASP 101           HB1      ASP 101 -10.562   7.174  -4.868
  795    H    GLU 102           HN       GLU 102 -10.364   4.723  -3.672
  796    HA   GLU 102           HA       GLU 102 -11.905   2.663  -4.858
  797    HB2  GLU 102           HB2      GLU 102  -9.298   2.421  -3.362
  798    HB3  GLU 102           HB1      GLU 102 -10.018   1.168  -4.358
  799    HG2  GLU 102           HG2      GLU 102  -9.088   3.860  -5.318
  800    HG3  GLU 102           HG1      GLU 102  -8.206   2.350  -5.487
  801    H    VAL 103           HN       VAL 103 -10.664   2.992  -1.568
  802    HA   VAL 103           HA       VAL 103 -11.669   0.628  -0.519
  803    HB   VAL 103           HB       VAL 103 -11.216   3.240   0.953
  804   HG11  VAL 103          HG11      VAL 103 -12.585   1.714   2.280
  805   HG12  VAL 103          HG12      VAL 103 -10.967   1.857   2.967
  806   HG13  VAL 103          HG13      VAL 103 -11.406   0.428   2.030
  807   HG21  VAL 103          HG21      VAL 103  -9.225   2.468  -0.217
  808   HG22  VAL 103          HG22      VAL 103  -9.394   0.874   0.517
  809   HG23  VAL 103          HG23      VAL 103  -9.030   2.273   1.526
  810    H    LEU 104           HN       LEU 104 -13.265   3.790  -0.601
  811    HA   LEU 104           HA       LEU 104 -15.468   2.793   0.884
  812    HB2  LEU 104           HB2      LEU 104 -14.916   5.400  -0.459
  813    HB3  LEU 104           HB1      LEU 104 -16.548   5.035   0.049
  814    HG   LEU 104           HG       LEU 104 -15.757   4.791   2.381
  815   HD11  LEU 104          HD11      LEU 104 -13.535   5.549   3.035
  816   HD12  LEU 104          HD12      LEU 104 -13.086   5.693   1.333
  817   HD13  LEU 104          HD13      LEU 104 -13.468   4.112   2.012
  818   HD21  LEU 104          HD21      LEU 104 -15.032   7.404   1.073
  819   HD22  LEU 104          HD22      LEU 104 -15.332   7.164   2.795
  820   HD23  LEU 104          HD23      LEU 104 -16.634   6.918   1.630
  821    H    LYS 105           HN       LYS 105 -14.733   2.641  -2.520
  822    HA   LYS 105           HA       LYS 105 -17.510   2.500  -3.322
  823    HB2  LYS 105           HB2      LYS 105 -15.028   1.914  -4.803
  824    HB3  LYS 105           HB1      LYS 105 -16.602   1.649  -5.544
  825    HG2  LYS 105           HG2      LYS 105 -17.010   4.143  -5.058
  826    HG3  LYS 105           HG1      LYS 105 -15.275   4.236  -4.758
  827    HD2  LYS 105           HD2      LYS 105 -16.606   3.351  -7.332
  828    HD3  LYS 105           HD1      LYS 105 -15.774   4.878  -7.062
  829    HE2  LYS 105           HE2      LYS 105 -14.492   2.136  -6.971
  830    HE3  LYS 105           HE1      LYS 105 -14.402   3.259  -8.322
  831    HZ1  LYS 105           HZ1      LYS 105 -13.385   3.809  -5.599
  832    HZ2  LYS 105           HZ2      LYS 105 -13.221   4.823  -6.896
  833    HZ3  LYS 105           HZ3      LYS 105 -12.424   3.316  -6.881
  834    H    LEU 106           HN       LEU 106 -14.936   0.248  -2.723
  835    HA   LEU 106           HA       LEU 106 -16.282  -2.154  -3.483
  836    HB2  LEU 106           HB2      LEU 106 -13.922  -1.669  -1.678
  837    HB3  LEU 106           HB1      LEU 106 -14.644  -3.249  -1.931
  838    HG   LEU 106           HG       LEU 106 -12.670  -3.067  -3.261
  839   HD11  LEU 106          HD11      LEU 106 -13.526  -3.554  -5.481
  840   HD12  LEU 106          HD12      LEU 106 -15.110  -2.955  -5.003
  841   HD13  LEU 106          HD13      LEU 106 -14.419  -4.372  -4.205
  842   HD21  LEU 106          HD21      LEU 106 -12.427  -1.461  -5.097
  843   HD22  LEU 106          HD22      LEU 106 -12.490  -0.664  -3.528
  844   HD23  LEU 106          HD23      LEU 106 -13.907  -0.654  -4.580
  845    H    ARG 107           HN       ARG 107 -17.100  -0.137  -1.039
  846    HA   ARG 107           HA       ARG 107 -17.698  -1.469   1.248
  847    HB2  ARG 107           HB2      ARG 107 -19.615  -0.033   1.603
  848    HB3  ARG 107           HB1      ARG 107 -18.312   0.875   0.858
  849    HG2  ARG 107           HG2      ARG 107 -19.431   0.781  -1.295
  850    HG3  ARG 107           HG1      ARG 107 -20.703  -0.232  -0.613
  851    HD2  ARG 107           HD2      ARG 107 -21.502   2.041  -0.764
  852    HD3  ARG 107           HD1      ARG 107 -21.285   1.619   0.932
  853    HE   ARG 107           HE       ARG 107 -18.989   2.853  -0.193
  854   HH11  ARG 107          HH11      ARG 107 -22.166   3.567   1.208
  855   HH12  ARG 107          HH12      ARG 107 -21.797   5.154   1.691
  856   HH21  ARG 107          HH21      ARG 107 -18.446   5.039   0.453
  857   HH22  ARG 107          HH22      ARG 107 -19.575   6.030   1.246
  858    H    ASN 108           HN       ASN 108 -19.506  -2.018  -1.758
  859    HA   ASN 108           HA       ASN 108 -21.659  -3.522  -0.741
  860    HB2  ASN 108           HB2      ASN 108 -22.021  -3.088  -2.957
  861    HB3  ASN 108           HB1      ASN 108 -20.327  -3.331  -3.444
  862   HD21  ASN 108          HD21      ASN 108 -22.499  -5.646  -1.743
  863   HD22  ASN 108          HD22      ASN 108 -22.548  -6.701  -3.083
  864    H    ILE 109           HN       ILE 109 -18.517  -4.481  -1.788
  865    HA   ILE 109           HA       ILE 109 -18.556  -7.211  -1.667
  866    HB   ILE 109           HB       ILE 109 -16.405  -5.153  -1.274
  867   HG12  ILE 109          HG12      ILE 109 -17.390  -5.082  -3.447
  868   HG13  ILE 109          HG11      ILE 109 -15.768  -5.747  -3.578
  869   HG21  ILE 109          HG21      ILE 109 -14.726  -6.708  -1.755
  870   HG22  ILE 109          HG22      ILE 109 -15.868  -8.068  -1.664
  871   HG23  ILE 109          HG23      ILE 109 -15.507  -7.087  -0.218
  872   HD11  ILE 109          HD11      ILE 109 -16.739  -8.007  -3.737
  873   HD12  ILE 109          HD12      ILE 109 -17.262  -6.934  -5.030
  874   HD13  ILE 109          HD13      ILE 109 -18.355  -7.294  -3.698
  875    H    LYS 110           HN       LYS 110 -18.461  -5.016   0.981
  876    HA   LYS 110           HA       LYS 110 -17.433  -6.883   2.887
  877    HB2  LYS 110           HB2      LYS 110 -17.123  -4.407   3.117
  878    HB3  LYS 110           HB1      LYS 110 -18.843  -4.243   3.335
  879    HG2  LYS 110           HG2      LYS 110 -17.479  -6.044   5.244
  880    HG3  LYS 110           HG1      LYS 110 -17.117  -4.326   5.382
  881    HD2  LYS 110           HD2      LYS 110 -19.458  -3.808   5.666
  882    HD3  LYS 110           HD1      LYS 110 -19.906  -5.479   5.334
  883    HE2  LYS 110           HE2      LYS 110 -19.933  -4.845   7.761
  884    HE3  LYS 110           HE1      LYS 110 -18.920  -6.231   7.370
  885    HZ1  LYS 110           HZ1      LYS 110 -17.732  -3.512   7.556
  886    HZ2  LYS 110           HZ2      LYS 110 -17.004  -5.038   7.685
  887    HZ3  LYS 110           HZ3      LYS 110 -17.948  -4.492   8.922
  888    H    LEU 111           HN       LEU 111 -20.460  -6.631   1.389
  889    HA   LEU 111           HA       LEU 111 -22.071  -7.473   3.658
  890    HB2  LEU 111           HB2      LEU 111 -22.755  -7.286   0.722
  891    HB3  LEU 111           HB1      LEU 111 -23.893  -7.613   2.010
  892    HG   LEU 111           HG       LEU 111 -22.362  -5.036   1.635
  893   HD11  LEU 111          HD11      LEU 111 -24.055  -5.357  -0.073
  894   HD12  LEU 111          HD12      LEU 111 -24.540  -4.090   1.054
  895   HD13  LEU 111          HD13      LEU 111 -25.264  -5.694   1.165
  896   HD21  LEU 111          HD21      LEU 111 -24.512  -5.782   3.623
  897   HD22  LEU 111          HD22      LEU 111 -23.842  -4.167   3.398
  898   HD23  LEU 111          HD23      LEU 111 -22.816  -5.469   3.994
  899    H    GLU 112           HN       GLU 112 -21.173  -8.966   0.513
  900    HA   GLU 112           HA       GLU 112 -22.056 -11.501   1.511
  901    HB2  GLU 112           HB2      GLU 112 -21.170 -12.426  -0.711
  902    HB3  GLU 112           HB1      GLU 112 -22.489 -11.285  -0.810
  903    HG2  GLU 112           HG2      GLU 112 -19.600 -10.546  -1.267
  904    HG3  GLU 112           HG1      GLU 112 -20.697 -11.045  -2.552
  905    H    HIS 113           HN       HIS 113 -19.614  -9.842   2.228
  906    HA   HIS 113           HA       HIS 113 -17.446 -11.705   2.506
  907    HB2  HIS 113           HB2      HIS 113 -17.116  -9.269   2.579
  908    HB3  HIS 113           HB1      HIS 113 -18.191  -9.138   3.946
  909    HD1  HIS 113           HD1      HIS 113 -16.453 -11.673   5.339
  910    HD2  HIS 113           HD2      HIS 113 -15.196  -7.917   4.132
  911    HE1  HIS 113           HE1      HIS 113 -14.412 -11.167   6.718
  912    HE2  HIS 113           HE2      HIS 113 -14.239  -8.725   6.364
  913    H    LEU 114           HN       LEU 114 -20.488 -11.163   4.078
  914    HA   LEU 114           HA       LEU 114 -19.811 -13.059   6.152
  915    HB2  LEU 114           HB2      LEU 114 -21.041 -11.611   7.819
  916    HB3  LEU 114           HB1      LEU 114 -19.464 -11.043   7.329
  917    HG   LEU 114           HG       LEU 114 -20.678  -9.456   5.739
  918   HD11  LEU 114          HD11      LEU 114 -23.079 -10.023   7.468
  919   HD12  LEU 114          HD12      LEU 114 -22.872 -10.620   5.836
  920   HD13  LEU 114          HD13      LEU 114 -22.948  -8.877   6.118
  921   HD21  LEU 114          HD21      LEU 114 -21.114  -7.823   7.512
  922   HD22  LEU 114          HD22      LEU 114 -19.606  -8.700   7.767
  923   HD23  LEU 114          HD23      LEU 114 -21.039  -9.117   8.709
  924    H    LYS 115           HN       LYS 115 -22.020 -13.504   7.447
  925    HA   LYS 115           HA       LYS 115 -24.387 -13.207   6.047
  926    HB2  LYS 115           HB2      LYS 115 -24.821 -15.589   5.532
  927    HB3  LYS 115           HB1      LYS 115 -23.422 -15.036   4.635
  928    HG2  LYS 115           HG2      LYS 115 -22.163 -16.666   5.498
  929    HG3  LYS 115           HG1      LYS 115 -22.538 -16.128   7.132
  930    HD2  LYS 115           HD2      LYS 115 -24.218 -18.021   5.463
  931    HD3  LYS 115           HD1      LYS 115 -23.150 -18.491   6.780
  932    HE2  LYS 115           HE2      LYS 115 -25.641 -16.769   7.020
  933    HE3  LYS 115           HE1      LYS 115 -25.484 -18.446   7.518
  934    HZ1  LYS 115           HZ1      LYS 115 -23.957 -16.161   8.664
  935    HZ2  LYS 115           HZ2      LYS 115 -23.895 -17.730   9.268
  936    HZ3  LYS 115           HZ3      LYS 115 -25.321 -16.799   9.340
  Start of MODEL    7
    1    H    GLU  10           HT1      GLU  10 -17.680   3.926  10.279
    2    HA   GLU  10           HA       GLU  10 -18.619   3.450   7.520
    3    HB2  GLU  10           HB2      GLU  10 -15.984   4.394   8.506
    4    HB3  GLU  10           HB1      GLU  10 -16.333   3.966   6.861
    5    HG2  GLU  10           HG2      GLU  10 -16.454   6.330   7.005
    6    HG3  GLU  10           HG1      GLU  10 -18.060   5.698   6.723
    7    H    GLU  11           HN       GLU  11 -17.503   2.024  10.275
    8    HA   GLU  11           HA       GLU  11 -15.436   0.406   9.894
    9    HB2  GLU  11           HB2      GLU  11 -16.454  -1.034  11.630
   10    HB3  GLU  11           HB1      GLU  11 -16.562   0.670  12.012
   11    HG2  GLU  11           HG2      GLU  11 -18.797  -1.186  11.155
   12    HG3  GLU  11           HG1      GLU  11 -18.634  -0.322  12.682
   13    H    ASP  12           HN       ASP  12 -18.802  -0.666   9.089
   14    HA   ASP  12           HA       ASP  12 -17.986  -3.231   8.210
   15    HB2  ASP  12           HB2      ASP  12 -20.359  -2.527   8.806
   16    HB3  ASP  12           HB1      ASP  12 -20.450  -1.760   7.224
   17    H    LEU  13           HN       LEU  13 -18.225  -0.216   6.625
   18    HA   LEU  13           HA       LEU  13 -17.728  -1.195   3.904
   19    HB2  LEU  13           HB2      LEU  13 -17.653   1.723   4.769
   20    HB3  LEU  13           HB1      LEU  13 -17.760   1.056   3.191
   21    HG   LEU  13           HG       LEU  13 -20.079   0.271   3.640
   22   HD11  LEU  13          HD11      LEU  13 -20.030   0.144   6.071
   23   HD12  LEU  13          HD12      LEU  13 -21.323   1.206   5.515
   24   HD13  LEU  13          HD13      LEU  13 -19.834   1.895   6.168
   25   HD21  LEU  13          HD21      LEU  13 -21.086   2.479   3.436
   26   HD22  LEU  13          HD22      LEU  13 -19.619   2.359   2.460
   27   HD23  LEU  13          HD23      LEU  13 -19.589   3.219   3.997
   28    H    THR  14           HN       THR  14 -15.819  -0.605   6.581
   29    HA   THR  14           HA       THR  14 -13.670   0.352   4.911
   30    HB   THR  14           HB       THR  14 -13.494  -0.077   7.901
   31    HG1  THR  14           HG1      THR  14 -15.173   1.454   6.872
   32   HG21  THR  14          HG21      THR  14 -11.399   0.158   6.762
   33   HG22  THR  14          HG22      THR  14 -11.774   1.734   7.556
   34   HG23  THR  14          HG23      THR  14 -12.056   1.476   5.819
   35    H    GLU  15           HN       GLU  15 -14.639  -2.586   6.510
   36    HA   GLU  15           HA       GLU  15 -12.414  -4.157   6.767
   37    HB2  GLU  15           HB2      GLU  15 -14.999  -5.027   5.481
   38    HB3  GLU  15           HB1      GLU  15 -13.849  -6.075   6.298
   39    HG2  GLU  15           HG2      GLU  15 -15.476  -3.885   7.585
   40    HG3  GLU  15           HG1      GLU  15 -15.798  -5.614   7.683
   41    H    VAL  16           HN       VAL  16 -13.880  -3.142   3.896
   42    HA   VAL  16           HA       VAL  16 -12.897  -4.763   1.904
   43    HB   VAL  16           HB       VAL  16 -13.259  -2.856   0.381
   44   HG11  VAL  16          HG11      VAL  16 -15.414  -3.361   2.435
   45   HG12  VAL  16          HG12      VAL  16 -15.112  -4.378   1.009
   46   HG13  VAL  16          HG13      VAL  16 -15.672  -2.728   0.810
   47   HG21  VAL  16          HG21      VAL  16 -12.623  -1.054   1.679
   48   HG22  VAL  16          HG22      VAL  16 -13.503  -1.735   3.001
   49   HG23  VAL  16          HG23      VAL  16 -14.428  -0.927   1.727
   50    H    LYS  17           HN       LYS  17 -11.283  -2.353   3.697
   51    HA   LYS  17           HA       LYS  17  -9.651  -0.960   2.121
   52    HB2  LYS  17           HB2      LYS  17  -9.903  -0.818   4.604
   53    HB3  LYS  17           HB1      LYS  17  -8.725  -2.109   4.738
   54    HG2  LYS  17           HG2      LYS  17  -7.044  -0.699   3.668
   55    HG3  LYS  17           HG1      LYS  17  -8.232   0.598   3.507
   56    HD2  LYS  17           HD2      LYS  17  -8.499   0.607   5.969
   57    HD3  LYS  17           HD1      LYS  17  -7.236  -0.614   6.086
   58    HE2  LYS  17           HE2      LYS  17  -5.675   0.979   4.982
   59    HE3  LYS  17           HE1      LYS  17  -6.944   2.205   5.041
   60    HZ1  LYS  17           HZ1      LYS  17  -5.774   0.776   7.325
   61    HZ2  LYS  17           HZ2      LYS  17  -6.891   2.016   7.532
   62    HZ3  LYS  17           HZ3      LYS  17  -5.315   2.303   6.937
   63    H    LYS  18           HN       LYS  18  -8.848  -4.319   3.121
   64    HA   LYS  18           HA       LYS  18  -6.203  -4.151   2.044
   65    HB2  LYS  18           HB2      LYS  18  -5.939  -6.486   2.345
   66    HB3  LYS  18           HB1      LYS  18  -6.934  -5.950   3.686
   67    HG2  LYS  18           HG2      LYS  18  -8.746  -7.130   3.007
   68    HG3  LYS  18           HG1      LYS  18  -8.406  -6.862   1.299
   69    HD2  LYS  18           HD2      LYS  18  -6.957  -8.822   3.094
   70    HD3  LYS  18           HD1      LYS  18  -8.206  -9.239   1.926
   71    HE2  LYS  18           HE2      LYS  18  -5.419  -8.137   1.295
   72    HE3  LYS  18           HE1      LYS  18  -6.043  -9.741   0.962
   73    HZ1  LYS  18           HZ1      LYS  18  -6.052  -8.505  -1.036
   74    HZ2  LYS  18           HZ2      LYS  18  -6.763  -7.191  -0.332
   75    HZ3  LYS  18           HZ3      LYS  18  -7.709  -8.535  -0.605
   76    H    ASP  19           HN       ASP  19  -9.279  -4.710   0.573
   77    HA   ASP  19           HA       ASP  19  -8.068  -5.887  -1.768
   78    HB2  ASP  19           HB2      ASP  19 -10.969  -5.260  -1.153
   79    HB3  ASP  19           HB1      ASP  19 -10.426  -5.950  -2.680
   80    H    ALA  20           HN       ALA  20  -9.323  -2.866  -0.662
   81    HA   ALA  20           HA       ALA  20  -9.131  -1.462  -3.123
   82    HB1  ALA  20           HB1      ALA  20  -8.662  -0.506  -0.284
   83    HB2  ALA  20           HB2      ALA  20 -10.167  -0.328  -1.207
   84    HB3  ALA  20           HB3      ALA  20  -8.702   0.547  -1.684
   85    H    LEU  21           HN       LEU  21  -6.920  -2.044  -0.449
   86    HA   LEU  21           HA       LEU  21  -4.638  -0.852  -1.489
   87    HB2  LEU  21           HB2      LEU  21  -4.870  -3.170   0.427
   88    HB3  LEU  21           HB1      LEU  21  -3.400  -2.272   0.130
   89    HG   LEU  21           HG       LEU  21  -5.926  -1.129   1.329
   90   HD11  LEU  21          HD11      LEU  21  -4.867  -2.686   2.849
   91   HD12  LEU  21          HD12      LEU  21  -4.691  -1.029   3.417
   92   HD13  LEU  21          HD13      LEU  21  -3.325  -1.848   2.673
   93   HD21  LEU  21          HD21      LEU  21  -4.525   0.828   1.854
   94   HD22  LEU  21          HD22      LEU  21  -4.687   0.570   0.122
   95   HD23  LEU  21          HD23      LEU  21  -3.196   0.108   0.945
   96    H    GLU  22           HN       GLU  22  -6.046  -3.988  -2.101
   97    HA   GLU  22           HA       GLU  22  -3.794  -5.288  -3.214
   98    HB2  GLU  22           HB2      GLU  22  -6.134  -6.184  -2.462
   99    HB3  GLU  22           HB1      GLU  22  -6.595  -5.849  -4.127
  100    HG2  GLU  22           HG2      GLU  22  -5.979  -8.142  -3.966
  101    HG3  GLU  22           HG1      GLU  22  -4.693  -7.302  -4.843
  102    H    ASN  23           HN       ASN  23  -6.458  -3.459  -4.658
  103    HA   ASN  23           HA       ASN  23  -5.441  -3.658  -7.350
  104    HB2  ASN  23           HB2      ASN  23  -7.564  -1.865  -6.138
  105    HB3  ASN  23           HB1      ASN  23  -7.127  -1.807  -7.839
  106   HD21  ASN  23          HD21      ASN  23  -8.742  -3.674  -5.331
  107   HD22  ASN  23          HD22      ASN  23  -9.482  -4.766  -6.438
  108    H    LEU  24           HN       LEU  24  -5.234  -1.448  -4.757
  109    HA   LEU  24           HA       LEU  24  -3.996   0.744  -5.969
  110    HB2  LEU  24           HB2      LEU  24  -5.100   0.788  -3.831
  111    HB3  LEU  24           HB1      LEU  24  -3.967  -0.384  -3.214
  112    HG   LEU  24           HG       LEU  24  -2.859   2.249  -4.050
  113   HD11  LEU  24          HD11      LEU  24  -4.832   2.912  -2.989
  114   HD12  LEU  24          HD12      LEU  24  -3.503   3.107  -1.831
  115   HD13  LEU  24          HD13      LEU  24  -4.641   1.745  -1.686
  116   HD21  LEU  24          HD21      LEU  24  -1.408   0.512  -3.158
  117   HD22  LEU  24          HD22      LEU  24  -2.455   0.338  -1.754
  118   HD23  LEU  24          HD23      LEU  24  -1.545   1.827  -1.977
  119    H    ARG  25           HN       ARG  25  -2.728  -2.158  -4.512
  120    HA   ARG  25           HA       ARG  25  -0.009  -1.854  -4.533
  121    HB2  ARG  25           HB2      ARG  25  -1.198  -3.735  -3.614
  122    HB3  ARG  25           HB1      ARG  25  -1.796  -4.187  -5.189
  123    HG2  ARG  25           HG2      ARG  25   0.486  -4.840  -5.829
  124    HG3  ARG  25           HG1      ARG  25   1.037  -4.417  -4.198
  125    HD2  ARG  25           HD2      ARG  25  -0.497  -6.016  -3.219
  126    HD3  ARG  25           HD1      ARG  25  -1.161  -6.394  -4.800
  127    HE   ARG  25           HE       ARG  25   1.572  -6.912  -4.857
  128   HH11  ARG  25          HH11      ARG  25  -1.397  -8.205  -3.339
  129   HH12  ARG  25          HH12      ARG  25  -0.778  -9.753  -3.139
  130   HH21  ARG  25          HH21      ARG  25   2.397  -9.030  -4.638
  131   HH22  ARG  25          HH22      ARG  25   1.478 -10.271  -3.898
  132    H    VAL  26           HN       VAL  26  -2.173  -2.372  -7.226
  133    HA   VAL  26           HA       VAL  26  -0.007  -2.700  -9.124
  134    HB   VAL  26           HB       VAL  26  -2.994  -2.619  -9.622
  135   HG11  VAL  26          HG11      VAL  26  -2.455  -3.659 -11.782
  136   HG12  VAL  26          HG12      VAL  26  -0.737  -3.519 -11.414
  137   HG13  VAL  26          HG13      VAL  26  -1.714  -2.066 -11.617
  138   HG21  VAL  26          HG21      VAL  26  -2.847  -5.071  -9.802
  139   HG22  VAL  26          HG22      VAL  26  -2.397  -4.504  -8.193
  140   HG23  VAL  26          HG23      VAL  26  -1.148  -4.993  -9.337
  141    H    TYR  27           HN       TYR  27  -2.796  -0.456  -8.712
  142    HA   TYR  27           HA       TYR  27  -1.946   1.159 -10.894
  143    HB2  TYR  27           HB2      TYR  27  -3.753   2.709 -10.441
  144    HB3  TYR  27           HB1      TYR  27  -4.329   1.060 -10.362
  145    HD1  TYR  27           HD2      TYR  27  -2.856   3.478  -7.758
  146    HD2  TYR  27           HD1      TYR  27  -6.092   0.892  -8.867
  147    HE1  TYR  27           HE2      TYR  27  -3.972   3.981  -5.666
  148    HE2  TYR  27           HE1      TYR  27  -7.221   1.445  -6.752
  149    HH   TYR  27           HH       TYR  27  -6.690   2.271  -4.548
  150    H    LEU  28           HN       LEU  28  -0.910   1.214  -7.712
  151    HA   LEU  28           HA       LEU  28  -0.463   4.059  -7.648
  152    HB2  LEU  28           HB2      LEU  28  -0.898   2.160  -5.791
  153    HB3  LEU  28           HB1      LEU  28   0.845   2.360  -5.639
  154    HG   LEU  28           HG       LEU  28  -1.409   4.207  -5.001
  155   HD11  LEU  28          HD11      LEU  28   1.082   3.490  -3.531
  156   HD12  LEU  28          HD12      LEU  28  -0.490   2.730  -3.357
  157   HD13  LEU  28          HD13      LEU  28  -0.291   4.433  -2.932
  158   HD21  LEU  28          HD21      LEU  28   1.418   5.080  -5.583
  159   HD22  LEU  28          HD22      LEU  28   0.231   6.031  -4.693
  160   HD23  LEU  28          HD23      LEU  28  -0.075   5.598  -6.381
  161    H    CYS  29           HN       CYS  29   1.218   1.338  -8.829
  162    HA   CYS  29           HA       CYS  29   3.805   1.783  -7.938
  163    HB2  CYS  29           HB2      CYS  29   3.154  -0.335  -8.859
  164    HB3  CYS  29           HB1      CYS  29   2.880   0.390 -10.440
  165    HG   CYS  29           HG       CYS  29   5.806   1.251  -9.830
  166    H    GLU  30           HN       GLU  30   2.199   3.435 -10.553
  167    HA   GLU  30           HA       GLU  30   4.716   4.470 -11.597
  168    HB2  GLU  30           HB2      GLU  30   1.994   5.578 -12.309
  169    HB3  GLU  30           HB1      GLU  30   3.475   5.691 -13.228
  170    HG2  GLU  30           HG2      GLU  30   2.169   4.176 -14.410
  171    HG3  GLU  30           HG1      GLU  30   3.268   3.146 -13.492
  172    H    LYS  31           HN       LYS  31   2.687   5.257  -9.033
  173    HA   LYS  31           HA       LYS  31   3.331   8.117  -9.273
  174    HB2  LYS  31           HB2      LYS  31   1.117   6.856  -7.641
  175    HB3  LYS  31           HB1      LYS  31   1.480   8.566  -7.702
  176    HG2  LYS  31           HG2      LYS  31  -0.401   8.283  -9.085
  177    HG3  LYS  31           HG1      LYS  31   0.953   8.427 -10.201
  178    HD2  LYS  31           HD2      LYS  31   0.993   5.995 -10.480
  179    HD3  LYS  31           HD1      LYS  31  -0.313   5.828  -9.312
  180    HE2  LYS  31           HE2      LYS  31  -1.778   7.155 -10.792
  181    HE3  LYS  31           HE1      LYS  31  -0.475   7.242 -11.975
  182    HZ1  LYS  31           HZ1      LYS  31  -1.668   4.688 -11.015
  183    HZ2  LYS  31           HZ2      LYS  31  -0.570   4.829 -12.237
  184    HZ3  LYS  31           HZ3      LYS  31  -2.114   5.434 -12.458
  185    H    ILE  32           HN       ILE  32   3.609   5.328  -7.185
  186    HA   ILE  32           HA       ILE  32   4.813   7.000  -5.096
  187    HB   ILE  32           HB       ILE  32   2.992   5.575  -4.266
  188   HG12  ILE  32          HG12      ILE  32   5.676   4.480  -3.345
  189   HG13  ILE  32          HG11      ILE  32   4.903   5.946  -2.733
  190   HG21  ILE  32          HG21      ILE  32   3.121   3.130  -4.311
  191   HG22  ILE  32          HG22      ILE  32   4.588   3.224  -5.283
  192   HG23  ILE  32          HG23      ILE  32   3.060   3.795  -5.946
  193   HD11  ILE  32          HD11      ILE  32   3.806   3.155  -2.536
  194   HD12  ILE  32          HD12      ILE  32   3.082   4.601  -1.844
  195   HD13  ILE  32          HD13      ILE  32   4.637   4.013  -1.237
  196    H    ILE  33           HN       ILE  33   6.942   6.903  -4.758
  197    HA   ILE  33           HA       ILE  33   8.210   4.502  -5.878
  198    HB   ILE  33           HB       ILE  33  10.400   5.723  -5.863
  199   HG12  ILE  33          HG12      ILE  33   8.706   8.204  -5.410
  200   HG13  ILE  33          HG11      ILE  33   9.784   7.489  -4.221
  201   HG21  ILE  33          HG21      ILE  33   9.989   7.031  -7.901
  202   HG22  ILE  33          HG22      ILE  33   8.253   6.914  -7.607
  203   HG23  ILE  33          HG23      ILE  33   9.193   5.457  -7.931
  204   HD11  ILE  33          HD11      ILE  33  10.602   8.686  -6.861
  205   HD12  ILE  33          HD12      ILE  33  11.691   7.964  -5.680
  206   HD13  ILE  33          HD13      ILE  33  10.797   9.428  -5.274
  207    H    ALA  34           HN       ALA  34   8.784   3.131  -4.474
  208    HA   ALA  34           HA       ALA  34   9.018   3.779  -1.679
  209    HB1  ALA  34           HB1      ALA  34   8.028   1.720  -2.529
  210    HB2  ALA  34           HB2      ALA  34   9.309   1.494  -1.330
  211    HB3  ALA  34           HB3      ALA  34   9.644   1.203  -3.053
  212    H    GLU  35           HN       GLU  35  10.905   2.974  -4.330
  213    HA   GLU  35           HA       GLU  35  13.228   2.002  -3.760
  214    HB2  GLU  35           HB2      GLU  35  12.406   2.683  -5.916
  215    HB3  GLU  35           HB1      GLU  35  12.677   4.364  -5.529
  216    HG2  GLU  35           HG2      GLU  35  15.127   3.886  -5.342
  217    HG3  GLU  35           HG1      GLU  35  14.795   2.262  -5.943
  218    H    ARG  36           HN       ARG  36  12.770   5.515  -3.642
  219    HA   ARG  36           HA       ARG  36  15.366   5.811  -2.390
  220    HB2  ARG  36           HB2      ARG  36  13.479   7.914  -3.414
  221    HB3  ARG  36           HB1      ARG  36  15.160   8.172  -2.923
  222    HG2  ARG  36           HG2      ARG  36  15.964   6.733  -4.639
  223    HG3  ARG  36           HG1      ARG  36  14.332   6.238  -5.056
  224    HD2  ARG  36           HD2      ARG  36  13.930   8.661  -5.598
  225    HD3  ARG  36           HD1      ARG  36  15.692   8.857  -5.557
  226    HE   ARG  36           HE       ARG  36  14.978   6.584  -7.078
  227   HH11  ARG  36          HH11      ARG  36  15.140  10.097  -7.428
  228   HH12  ARG  36          HH12      ARG  36  15.177  10.047  -9.132
  229   HH21  ARG  36          HH21      ARG  36  14.998   6.479  -9.200
  230   HH22  ARG  36          HH22      ARG  36  15.090   7.836 -10.249
  231    H    HIS  37           HN       HIS  37  12.219   5.542  -1.316
  232    HA   HIS  37           HA       HIS  37  12.643   7.238   1.029
  233    HB2  HIS  37           HB2      HIS  37  10.181   5.742   0.099
  234    HB3  HIS  37           HB1      HIS  37  10.281   6.541   1.657
  235    HD1  HIS  37           HD1      HIS  37   9.754   9.038   1.692
  236    HD2  HIS  37           HD2      HIS  37  10.213   7.535  -2.145
  237    HE1  HIS  37           HE1      HIS  37   9.000  10.859   0.165
  238    HE2  HIS  37           HE2      HIS  37   8.715   9.601  -1.945
  239    H    PHE  38           HN       PHE  38  13.272   4.136   0.080
  240    HA   PHE  38           HA       PHE  38  12.375   2.441   2.015
  241    HB2  PHE  38           HB2      PHE  38  13.374   1.538   0.051
  242    HB3  PHE  38           HB1      PHE  38  14.925   2.280   0.422
  243    HD1  PHE  38           HD2      PHE  38  12.475  -0.106   1.994
  244    HD2  PHE  38           HD1      PHE  38  16.560   0.936   1.323
  245    HE1  PHE  38           HE2      PHE  38  13.185  -2.111   3.193
  246    HE2  PHE  38           HE1      PHE  38  17.267  -1.080   2.536
  247    HZ   PHE  38           HZ       PHE  38  15.580  -2.606   3.473
  248    H    ASP  39           HN       ASP  39  15.380   4.337   2.255
  249    HA   ASP  39           HA       ASP  39  16.443   3.196   4.545
  250    HB2  ASP  39           HB2      ASP  39  17.765   4.874   3.476
  251    HB3  ASP  39           HB1      ASP  39  16.503   6.090   3.670
  252    H    HIS  40           HN       HIS  40  14.268   5.900   4.386
  253    HA   HIS  40           HA       HIS  40  14.012   5.944   7.228
  254    HB2  HIS  40           HB2      HIS  40  13.924   7.961   5.579
  255    HB3  HIS  40           HB1      HIS  40  12.218   7.543   5.443
  256    HD1  HIS  40           HD1      HIS  40  10.736   7.907   7.568
  257    HD2  HIS  40           HD2      HIS  40  14.709   9.044   8.024
  258    HE1  HIS  40           HE1      HIS  40  10.804   9.280   9.673
  259    HE2  HIS  40           HE2      HIS  40  13.252   9.801  10.013
  260    H    LEU  41           HN       LEU  41  12.447   4.307   4.735
  261    HA   LEU  41           HA       LEU  41   9.851   4.082   5.877
  262    HB2  LEU  41           HB2      LEU  41  10.481   3.758   3.455
  263    HB3  LEU  41           HB1      LEU  41  11.196   2.233   3.907
  264    HG   LEU  41           HG       LEU  41   8.331   2.598   4.595
  265   HD11  LEU  41          HD11      LEU  41   7.649   2.071   2.330
  266   HD12  LEU  41          HD12      LEU  41   9.320   2.189   1.761
  267   HD13  LEU  41          HD13      LEU  41   8.491   3.612   2.427
  268   HD21  LEU  41          HD21      LEU  41   9.525   0.503   5.061
  269   HD22  LEU  41          HD22      LEU  41   9.916   0.354   3.344
  270   HD23  LEU  41          HD23      LEU  41   8.232   0.287   3.877
  271    H    ARG  42           HN       ARG  42  12.828   2.570   6.458
  272    HA   ARG  42           HA       ARG  42  12.090   0.236   8.048
  273    HB2  ARG  42           HB2      ARG  42  14.539   2.012   7.938
  274    HB3  ARG  42           HB1      ARG  42  14.407   0.589   8.969
  275    HG2  ARG  42           HG2      ARG  42  14.583  -0.844   7.212
  276    HG3  ARG  42           HG1      ARG  42  13.856   0.293   6.077
  277    HD2  ARG  42           HD2      ARG  42  16.242  -0.103   5.679
  278    HD3  ARG  42           HD1      ARG  42  15.856   1.583   5.979
  279    HE   ARG  42           HE       ARG  42  17.030  -0.193   8.020
  280   HH11  ARG  42          HH11      ARG  42  16.693   2.998   6.611
  281   HH12  ARG  42          HH12      ARG  42  18.130   3.662   7.084
  282   HH21  ARG  42          HH21      ARG  42  19.111   0.737   8.972
  283   HH22  ARG  42          HH22      ARG  42  19.501   2.351   8.553
  284    H    ALA  43           HN       ALA  43  11.397   3.359   8.542
  285    HA   ALA  43           HA       ALA  43  11.536   3.613  11.330
  286    HB1  ALA  43           HB1      ALA  43  10.984   5.474   9.879
  287    HB2  ALA  43           HB2      ALA  43   9.612   5.192  10.970
  288    HB3  ALA  43           HB3      ALA  43   9.568   4.623   9.296
  289    H    LYS  44           HN       LYS  44   9.082   2.300   9.118
  290    HA   LYS  44           HA       LYS  44   7.262   1.762  11.316
  291    HB2  LYS  44           HB2      LYS  44   6.916   1.373   8.361
  292    HB3  LYS  44           HB1      LYS  44   5.665   1.237   9.579
  293    HG2  LYS  44           HG2      LYS  44   5.915   3.573  10.224
  294    HG3  LYS  44           HG1      LYS  44   7.208   3.776   9.046
  295    HD2  LYS  44           HD2      LYS  44   5.664   3.385   7.228
  296    HD3  LYS  44           HD1      LYS  44   4.381   2.994   8.375
  297    HE2  LYS  44           HE2      LYS  44   4.463   5.271   9.253
  298    HE3  LYS  44           HE1      LYS  44   5.744   5.665   8.109
  299    HZ1  LYS  44           HZ1      LYS  44   3.480   6.354   7.406
  300    HZ2  LYS  44           HZ2      LYS  44   3.070   4.701   7.239
  301    HZ3  LYS  44           HZ3      LYS  44   4.284   5.376   6.303
  302    H    LYS  45           HN       LYS  45   9.383  -0.010   9.252
  303    HA   LYS  45           HA       LYS  45   9.931  -2.202   9.076
  304    HB2  LYS  45           HB2      LYS  45   9.292  -2.271  12.002
  305    HB3  LYS  45           HB1      LYS  45  10.406  -3.323  11.134
  306    HG2  LYS  45           HG2      LYS  45  11.771  -1.292  10.565
  307    HG3  LYS  45           HG1      LYS  45  10.642  -0.380  11.521
  308    HD2  LYS  45           HD2      LYS  45  11.048  -1.792  13.471
  309    HD3  LYS  45           HD1      LYS  45  12.355  -2.595  12.599
  310    HE2  LYS  45           HE2      LYS  45  13.184  -0.791  14.087
  311    HE3  LYS  45           HE1      LYS  45  13.558  -0.502  12.387
  312    HZ1  LYS  45           HZ1      LYS  45  11.806   1.035  12.221
  313    HZ2  LYS  45           HZ2      LYS  45  12.686   1.502  13.578
  314    HZ3  LYS  45           HZ3      LYS  45  11.198   0.703  13.746
  315    H    ILE  46           HN       ILE  46   7.897  -2.369   7.850
  316    HA   ILE  46           HA       ILE  46   5.486  -3.456   8.574
  317    HB   ILE  46           HB       ILE  46   6.154  -4.961   6.377
  318   HG12  ILE  46          HG12      ILE  46   8.215  -3.555   6.044
  319   HG13  ILE  46          HG11      ILE  46   7.129  -3.569   4.691
  320   HG21  ILE  46          HG21      ILE  46   4.651  -3.692   5.158
  321   HG22  ILE  46          HG22      ILE  46   4.617  -2.421   6.410
  322   HG23  ILE  46          HG23      ILE  46   4.053  -4.073   6.762
  323   HD11  ILE  46          HD11      ILE  46   7.334  -1.325   6.702
  324   HD12  ILE  46          HD12      ILE  46   6.485  -1.311   5.140
  325   HD13  ILE  46          HD13      ILE  46   8.249  -1.492   5.213
  326    H    LEU  47           HN       LEU  47   8.174  -5.368   7.380
  327    HA   LEU  47           HA       LEU  47   7.418  -7.406   9.192
  328    HB2  LEU  47           HB2      LEU  47   8.238  -9.131   7.378
  329    HB3  LEU  47           HB1      LEU  47   6.614  -8.542   7.384
  330    HG   LEU  47           HG       LEU  47   8.041  -8.859   5.163
  331   HD11  LEU  47          HD11      LEU  47   6.557  -7.327   4.044
  332   HD12  LEU  47          HD12      LEU  47   6.072  -6.646   5.618
  333   HD13  LEU  47          HD13      LEU  47   5.725  -8.325   5.235
  334   HD21  LEU  47          HD21      LEU  47   8.946  -6.857   4.281
  335   HD22  LEU  47          HD22      LEU  47   9.733  -7.080   5.857
  336   HD23  LEU  47          HD23      LEU  47   8.399  -5.922   5.645
  337    H    SER  48           HN       SER  48   9.842  -9.042   8.033
  338    HA   SER  48           HA       SER  48  11.462  -7.907  10.133
  339    HB2  SER  48           HB2      SER  48  11.652 -10.559   8.707
  340    HB3  SER  48           HB1      SER  48  12.561 -10.082  10.142
  341    HG   SER  48           HG       SER  48   9.781 -10.364   9.866
  342    H    ARG  49           HN       ARG  49  13.887  -8.866   9.546
  343    HA   ARG  49           HA       ARG  49  15.109  -6.733   8.264
  344    HB2  ARG  49           HB2      ARG  49  16.313  -7.861   9.969
  345    HB3  ARG  49           HB1      ARG  49  16.183  -9.400   9.122
  346    HG2  ARG  49           HG2      ARG  49  17.585  -8.426   7.332
  347    HG3  ARG  49           HG1      ARG  49  17.799  -7.005   8.349
  348    HD2  ARG  49           HD2      ARG  49  19.148  -8.067   9.789
  349    HD3  ARG  49           HD1      ARG  49  18.372  -9.638   9.570
  350    HE   ARG  49           HE       ARG  49  19.421  -9.093   7.148
  351   HH11  ARG  49          HH11      ARG  49  21.017  -9.290  10.304
  352   HH12  ARG  49          HH12      ARG  49  22.397 -10.102   9.711
  353   HH21  ARG  49          HH21      ARG  49  21.188 -10.240   6.342
  354   HH22  ARG  49          HH22      ARG  49  22.519 -10.663   7.309
  355    H    GLU  50           HN       GLU  50  15.126 -10.134   6.947
  356    HA   GLU  50           HA       GLU  50  16.435  -8.993   4.632
  357    HB2  GLU  50           HB2      GLU  50  15.868 -11.903   5.212
  358    HB3  GLU  50           HB1      GLU  50  16.810 -11.302   3.855
  359    HG2  GLU  50           HG2      GLU  50  17.516 -10.995   6.773
  360    HG3  GLU  50           HG1      GLU  50  18.243 -12.133   5.651
  361    H    ASP  51           HN       ASP  51  13.337  -9.853   5.532
  362    HA   ASP  51           HA       ASP  51  12.421 -10.067   2.871
  363    HB2  ASP  51           HB2      ASP  51  10.117  -9.991   4.148
  364    HB3  ASP  51           HB1      ASP  51  11.132 -11.421   4.227
  365    H    THR  52           HN       THR  52  12.954  -7.442   5.079
  366    HA   THR  52           HA       THR  52  11.583  -5.624   3.261
  367    HB   THR  52           HB       THR  52  13.080  -3.878   4.591
  368    HG1  THR  52           HG1      THR  52  12.947  -5.939   6.519
  369   HG21  THR  52          HG21      THR  52  11.345  -3.629   6.351
  370   HG22  THR  52          HG22      THR  52  10.634  -5.160   5.855
  371   HG23  THR  52          HG23      THR  52  10.643  -3.784   4.755
  372    H    ARG  53           HN       ARG  53  14.405  -7.306   3.290
  373    HA   ARG  53           HA       ARG  53  16.196  -5.491   1.949
  374    HB2  ARG  53           HB2      ARG  53  16.814  -7.540   3.229
  375    HB3  ARG  53           HB1      ARG  53  16.237  -8.476   1.855
  376    HG2  ARG  53           HG2      ARG  53  18.503  -8.310   1.575
  377    HG3  ARG  53           HG1      ARG  53  17.863  -7.091   0.466
  378    HD2  ARG  53           HD2      ARG  53  19.770  -6.215   1.705
  379    HD3  ARG  53           HD1      ARG  53  18.295  -5.369   2.184
  380    HE   ARG  53           HE       ARG  53  18.727  -7.601   3.856
  381   HH11  ARG  53          HH11      ARG  53  19.989  -4.363   3.329
  382   HH12  ARG  53          HH12      ARG  53  20.543  -4.161   4.932
  383   HH21  ARG  53          HH21      ARG  53  19.377  -7.402   5.866
  384   HH22  ARG  53          HH22      ARG  53  20.182  -6.015   6.524
  385    H    GLU  54           HN       GLU  54  13.710  -7.731   0.940
  386    HA   GLU  54           HA       GLU  54  14.494  -8.448  -1.586
  387    HB2  GLU  54           HB2      GLU  54  12.571  -9.407  -0.422
  388    HB3  GLU  54           HB1      GLU  54  11.667  -7.921  -0.690
  389    HG2  GLU  54           HG2      GLU  54  11.934  -8.272  -3.131
  390    HG3  GLU  54           HG1      GLU  54  12.665  -9.833  -2.778
  391    H    ILE  55           HN       ILE  55  12.776  -5.506  -0.732
  392    HA   ILE  55           HA       ILE  55  12.174  -4.556  -3.254
  393    HB   ILE  55           HB       ILE  55  11.044  -3.471  -1.608
  394   HG12  ILE  55          HG12      ILE  55  13.148  -1.425  -2.342
  395   HG13  ILE  55          HG11      ILE  55  11.636  -1.737  -3.186
  396   HG21  ILE  55          HG21      ILE  55  13.546  -3.062  -0.076
  397   HG22  ILE  55          HG22      ILE  55  12.116  -4.077   0.262
  398   HG23  ILE  55          HG23      ILE  55  11.989  -2.330   0.331
  399   HD11  ILE  55          HD11      ILE  55  10.389  -0.940  -1.243
  400   HD12  ILE  55          HD12      ILE  55  11.504   0.296  -1.830
  401   HD13  ILE  55          HD13      ILE  55  11.898  -0.650  -0.391
  402    H    SER  56           HN       SER  56  15.284  -4.819  -2.012
  403    HA   SER  56           HA       SER  56  16.686  -2.856  -3.453
  404    HB2  SER  56           HB2      SER  56  18.685  -4.338  -3.169
  405    HB3  SER  56           HB1      SER  56  17.800  -4.055  -1.671
  406    HG   SER  56           HG       SER  56  16.947  -6.086  -1.796
  407    H    CYS  57           HN       CYS  57  14.794  -5.046  -4.728
  408    HA   CYS  57           HA       CYS  57  15.344  -6.472  -6.801
  409    HB2  CYS  57           HB2      CYS  57  13.232  -4.363  -6.720
  410    HB3  CYS  57           HB1      CYS  57  13.316  -5.607  -7.958
  411    HG   CYS  57           HG       CYS  57  13.373  -6.775  -4.796
  412    H    ARG  58           HN       ARG  58  16.692  -3.508  -6.914
  413    HA   ARG  58           HA       ARG  58  16.198  -1.714  -8.696
  414    HB2  ARG  58           HB2      ARG  58  18.901  -2.827  -8.189
  415    HB3  ARG  58           HB1      ARG  58  18.634  -1.322  -9.059
  416    HG2  ARG  58           HG2      ARG  58  17.764  -0.248  -7.184
  417    HG3  ARG  58           HG1      ARG  58  17.419  -1.769  -6.359
  418    HD2  ARG  58           HD2      ARG  58  20.189  -0.750  -6.980
  419    HD3  ARG  58           HD1      ARG  58  19.377  -0.557  -5.423
  420    HE   ARG  58           HE       ARG  58  19.207  -3.212  -5.916
  421   HH11  ARG  58          HH11      ARG  58  21.942  -0.975  -5.710
  422   HH12  ARG  58          HH12      ARG  58  23.065  -2.127  -5.163
  423   HH21  ARG  58          HH21      ARG  58  20.722  -4.828  -5.162
  424   HH22  ARG  58          HH22      ARG  58  22.337  -4.421  -4.834
  425    H    THR  59           HN       THR  59  16.211  -4.567 -10.222
  426    HA   THR  59           HA       THR  59  17.036  -4.037 -12.850
  427    HB   THR  59           HB       THR  59  16.117  -6.249 -11.970
  428    HG1  THR  59           HG1      THR  59  15.508  -6.772 -13.944
  429   HG21  THR  59          HG21      THR  59  13.680  -6.557 -11.818
  430   HG22  THR  59          HG22      THR  59  13.436  -4.870 -12.267
  431   HG23  THR  59          HG23      THR  59  14.182  -5.253 -10.728
  432    H    SER  60           HN       SER  60  14.905  -3.846 -14.513
  433    HA   SER  60           HA       SER  60  14.206  -1.263 -14.916
  434    HB2  SER  60           HB2      SER  60  13.601  -3.086 -16.459
  435    HB3  SER  60           HB1      SER  60  12.334  -3.608 -15.353
  436    HG   SER  60           HG       SER  60  12.062  -1.935 -17.282
  437    H    SER  61           HN       SER  61  12.960   0.287 -14.083
  438    HA   SER  61           HA       SER  61  12.314   0.345 -11.456
  439    HB2  SER  61           HB2      SER  61  11.288   2.145 -13.623
  440    HB3  SER  61           HB1      SER  61  11.449   2.535 -11.907
  441    HG   SER  61           HG       SER  61  13.475   2.905 -12.208
  442    H    ARG  62           HN       ARG  62  10.273  -0.914 -13.912
  443    HA   ARG  62           HA       ARG  62   7.782  -0.222 -12.819
  444    HB2  ARG  62           HB2      ARG  62   8.022  -1.109 -15.124
  445    HB3  ARG  62           HB1      ARG  62   8.416  -2.689 -14.463
  446    HG2  ARG  62           HG2      ARG  62   6.082  -2.597 -15.204
  447    HG3  ARG  62           HG1      ARG  62   6.182  -2.835 -13.456
  448    HD2  ARG  62           HD2      ARG  62   5.815  -0.426 -13.119
  449    HD3  ARG  62           HD1      ARG  62   5.686  -0.207 -14.860
  450    HE   ARG  62           HE       ARG  62   3.760  -2.005 -14.345
  451   HH11  ARG  62          HH11      ARG  62   4.587   1.073 -12.759
  452   HH12  ARG  62          HH12      ARG  62   2.939   1.423 -12.416
  453   HH21  ARG  62          HH21      ARG  62   1.447  -1.369 -13.745
  454   HH22  ARG  62          HH22      ARG  62   1.276   0.122 -12.916
  455    H    LYS  63           HN       LYS  63   9.851  -3.063 -12.234
  456    HA   LYS  63           HA       LYS  63   7.917  -3.908 -10.310
  457    HB2  LYS  63           HB2      LYS  63  10.067  -5.287 -11.609
  458    HB3  LYS  63           HB1      LYS  63  10.175  -5.514  -9.869
  459    HG2  LYS  63           HG2      LYS  63   7.729  -6.083 -11.560
  460    HG3  LYS  63           HG1      LYS  63   8.848  -7.292 -10.930
  461    HD2  LYS  63           HD2      LYS  63   8.242  -6.697  -8.641
  462    HD3  LYS  63           HD1      LYS  63   7.156  -5.425  -9.206
  463    HE2  LYS  63           HE2      LYS  63   5.881  -7.160 -10.329
  464    HE3  LYS  63           HE1      LYS  63   6.918  -8.401  -9.632
  465    HZ1  LYS  63           HZ1      LYS  63   5.238  -6.489  -8.042
  466    HZ2  LYS  63           HZ2      LYS  63   6.110  -7.768  -7.374
  467    HZ3  LYS  63           HZ3      LYS  63   4.820  -8.070  -8.349
  468    H    ARG  64           HN       ARG  64  10.755  -2.039 -10.195
  469    HA   ARG  64           HA       ARG  64  11.709  -2.534  -7.610
  470    HB2  ARG  64           HB2      ARG  64  11.594   0.151  -8.952
  471    HB3  ARG  64           HB1      ARG  64  12.564  -0.247  -7.557
  472    HG2  ARG  64           HG2      ARG  64  13.840  -1.846  -9.015
  473    HG3  ARG  64           HG1      ARG  64  12.891  -1.245 -10.364
  474    HD2  ARG  64           HD2      ARG  64  13.559   1.069  -9.855
  475    HD3  ARG  64           HD1      ARG  64  14.558   0.478  -8.543
  476    HE   ARG  64           HE       ARG  64  15.302  -0.780 -10.913
  477   HH11  ARG  64          HH11      ARG  64  15.370   2.439  -9.410
  478   HH12  ARG  64          HH12      ARG  64  16.787   2.957 -10.171
  479   HH21  ARG  64          HH21      ARG  64  17.296  -0.129 -11.922
  480   HH22  ARG  64          HH22      ARG  64  17.947   1.435 -11.699
  481    H    ALA  65           HN       ALA  65   9.585   0.160  -8.522
  482    HA   ALA  65           HA       ALA  65   9.188   1.034  -5.873
  483    HB1  ALA  65           HB1      ALA  65   7.577   1.647  -8.346
  484    HB2  ALA  65           HB2      ALA  65   9.002   2.528  -7.792
  485    HB3  ALA  65           HB3      ALA  65   7.522   2.545  -6.831
  486    H    GLY  66           HN       GLY  66   7.285  -0.938  -8.080
  487    HA2  GLY  66           HA2      GLY  66   4.997  -1.079  -6.397
  488    HA3  GLY  66           HA1      GLY  66   5.302  -2.034  -7.838
  489    H    LYS  67           HN       LYS  67   7.990  -2.815  -6.467
  490    HA   LYS  67           HA       LYS  67   7.001  -5.255  -5.501
  491    HB2  LYS  67           HB2      LYS  67   9.506  -4.363  -6.303
  492    HB3  LYS  67           HB1      LYS  67   9.719  -4.724  -4.595
  493    HG2  LYS  67           HG2      LYS  67   8.656  -6.628  -6.685
  494    HG3  LYS  67           HG1      LYS  67  10.271  -6.664  -5.980
  495    HD2  LYS  67           HD2      LYS  67   9.326  -7.148  -3.799
  496    HD3  LYS  67           HD1      LYS  67   7.695  -7.010  -4.443
  497    HE2  LYS  67           HE2      LYS  67   8.197  -8.917  -5.957
  498    HE3  LYS  67           HE1      LYS  67   9.761  -9.086  -5.157
  499    HZ1  LYS  67           HZ1      LYS  67   8.568  -9.344  -3.063
  500    HZ2  LYS  67           HZ2      LYS  67   8.357 -10.592  -4.081
  501    HZ3  LYS  67           HZ3      LYS  67   7.083  -9.433  -3.887
  502    H    LEU  68           HN       LEU  68   7.795  -2.270  -4.004
  503    HA   LEU  68           HA       LEU  68   8.073  -2.990  -1.325
  504    HB2  LEU  68           HB2      LEU  68   8.360  -0.699  -1.990
  505    HB3  LEU  68           HB1      LEU  68   6.696  -0.608  -2.542
  506    HG   LEU  68           HG       LEU  68   6.075  -1.172  -0.148
  507   HD11  LEU  68          HD11      LEU  68   7.553  -0.375   1.547
  508   HD12  LEU  68          HD12      LEU  68   8.856  -0.291   0.341
  509   HD13  LEU  68          HD13      LEU  68   8.074  -1.846   0.727
  510   HD21  LEU  68          HD21      LEU  68   7.290   1.549  -0.623
  511   HD22  LEU  68          HD22      LEU  68   6.043   1.154   0.558
  512   HD23  LEU  68          HD23      LEU  68   5.692   1.060  -1.165
  513    H    LEU  69           HN       LEU  69   5.219  -2.120  -3.111
  514    HA   LEU  69           HA       LEU  69   3.354  -2.427  -1.012
  515    HB2  LEU  69           HB2      LEU  69   2.680  -2.613  -3.941
  516    HB3  LEU  69           HB1      LEU  69   1.765  -1.859  -2.656
  517    HG   LEU  69           HG       LEU  69   4.267  -0.751  -3.976
  518   HD11  LEU  69          HD11      LEU  69   2.809   1.083  -4.602
  519   HD12  LEU  69          HD12      LEU  69   1.422   0.189  -3.976
  520   HD13  LEU  69          HD13      LEU  69   2.342  -0.449  -5.346
  521   HD21  LEU  69          HD21      LEU  69   2.658   0.440  -1.724
  522   HD22  LEU  69          HD22      LEU  69   4.032   1.179  -2.565
  523   HD23  LEU  69          HD23      LEU  69   4.271  -0.259  -1.588
  524    H    ASP  70           HN       ASP  70   4.863  -4.425  -3.269
  525    HA   ASP  70           HA       ASP  70   2.949  -6.553  -3.504
  526    HB2  ASP  70           HB2      ASP  70   4.393  -5.777  -5.349
  527    HB3  ASP  70           HB1      ASP  70   5.785  -6.280  -4.414
  528    H    TYR  71           HN       TYR  71   5.966  -5.979  -1.655
  529    HA   TYR  71           HA       TYR  71   5.991  -8.737  -0.833
  530    HB2  TYR  71           HB2      TYR  71   7.863  -8.251   0.639
  531    HB3  TYR  71           HB1      TYR  71   8.231  -7.688  -1.000
  532    HD1  TYR  71           HD2      TYR  71   7.697  -6.934   2.505
  533    HD2  TYR  71           HD1      TYR  71   8.676  -5.071  -1.216
  534    HE1  TYR  71           HE2      TYR  71   8.534  -4.936   3.668
  535    HE2  TYR  71           HE1      TYR  71   9.522  -3.179  -0.030
  536    HH   TYR  71           HH       TYR  71  10.193  -3.136   3.187
  537    H    LEU  72           HN       LEU  72   5.144  -5.762   0.661
  538    HA   LEU  72           HA       LEU  72   4.771  -6.977   3.162
  539    HB2  LEU  72           HB2      LEU  72   3.707  -4.729   3.739
  540    HB3  LEU  72           HB1      LEU  72   5.430  -5.004   3.632
  541    HG   LEU  72           HG       LEU  72   5.242  -4.198   1.304
  542   HD11  LEU  72          HD11      LEU  72   2.826  -4.228   1.035
  543   HD12  LEU  72          HD12      LEU  72   3.411  -2.565   0.912
  544   HD13  LEU  72          HD13      LEU  72   2.640  -3.119   2.391
  545   HD21  LEU  72          HD21      LEU  72   4.822  -2.370   3.592
  546   HD22  LEU  72          HD22      LEU  72   5.559  -1.969   2.001
  547   HD23  LEU  72          HD23      LEU  72   6.268  -3.233   3.064
  548    H    GLN  73           HN       GLN  73   2.657  -6.963   0.584
  549    HA   GLN  73           HA       GLN  73   0.180  -6.798   1.997
  550    HB2  GLN  73           HB2      GLN  73   0.372  -6.547  -0.444
  551    HB3  GLN  73           HB1      GLN  73   0.742  -8.259  -0.570
  552    HG2  GLN  73           HG2      GLN  73  -1.674  -7.597  -1.049
  553    HG3  GLN  73           HG1      GLN  73  -1.520  -8.845   0.240
  554   HE21  GLN  73          HE21      GLN  73  -3.549  -7.366  -0.714
  555   HE22  GLN  73          HE22      GLN  73  -3.955  -6.144   0.427
  556    H    GLU  74           HN       GLU  74   2.563  -9.251   2.017
  557    HA   GLU  74           HA       GLU  74   1.022 -11.571   2.505
  558    HB2  GLU  74           HB2      GLU  74   3.514 -11.447   2.043
  559    HB3  GLU  74           HB1      GLU  74   3.740 -10.804   3.651
  560    HG2  GLU  74           HG2      GLU  74   2.639 -13.556   3.073
  561    HG3  GLU  74           HG1      GLU  74   4.341 -13.216   3.352
  562    H    ASN  75           HN       ASN  75   2.252  -9.047   4.520
  563    HA   ASN  75           HA       ASN  75   0.519  -9.771   6.762
  564    HB2  ASN  75           HB2      ASN  75   3.051  -8.210   6.559
  565    HB3  ASN  75           HB1      ASN  75   1.846  -7.568   7.652
  566   HD21  ASN  75          HD21      ASN  75   2.773 -11.022   7.017
  567   HD22  ASN  75          HD22      ASN  75   3.229 -11.284   8.623
  568    HA   PRO  76           HA       PRO  76  -2.102  -6.867   4.078
  569    HB2  PRO  76           HB2      PRO  76  -4.048  -6.928   6.196
  570    HB3  PRO  76           HB1      PRO  76  -4.126  -7.722   4.613
  571    HG2  PRO  76           HG2      PRO  76  -3.311  -8.840   7.206
  572    HG3  PRO  76           HG1      PRO  76  -3.967  -9.654   5.773
  573    HD2  PRO  76           HD2      PRO  76  -1.426  -9.967   6.453
  574    HD3  PRO  76           HD1      PRO  76  -1.893  -9.822   4.747
  575    H    LYS  77           HN       LYS  77  -1.115  -6.386   7.319
  576    HA   LYS  77           HA       LYS  77  -1.857  -3.745   7.964
  577    HB2  LYS  77           HB2      LYS  77  -0.776  -5.323   9.519
  578    HB3  LYS  77           HB1      LYS  77   0.676  -5.304   8.539
  579    HG2  LYS  77           HG2      LYS  77   0.817  -2.811   9.077
  580    HG3  LYS  77           HG1      LYS  77  -0.425  -3.116  10.289
  581    HD2  LYS  77           HD2      LYS  77   1.759  -3.188  11.357
  582    HD3  LYS  77           HD1      LYS  77   1.079  -4.815  11.339
  583    HE2  LYS  77           HE2      LYS  77   2.483  -5.414   9.429
  584    HE3  LYS  77           HE1      LYS  77   3.091  -3.765   9.330
  585    HZ1  LYS  77           HZ1      LYS  77   3.532  -5.617  11.627
  586    HZ2  LYS  77           HZ2      LYS  77   4.225  -4.073  11.434
  587    HZ3  LYS  77           HZ3      LYS  77   4.632  -5.317  10.391
  588    H    GLY  78           HN       GLY  78   0.438  -5.073   5.728
  589    HA2  GLY  78           HA2      GLY  78   2.501  -3.355   5.468
  590    HA3  GLY  78           HA1      GLY  78   1.802  -4.280   4.155
  591    H    LEU  79           HN       LEU  79  -0.188  -3.162   3.140
  592    HA   LEU  79           HA       LEU  79   0.840  -0.625   2.317
  593    HB2  LEU  79           HB2      LEU  79  -1.759  -1.904   1.465
  594    HB3  LEU  79           HB1      LEU  79  -1.055  -0.469   0.750
  595    HG   LEU  79           HG       LEU  79   0.944  -2.031   0.210
  596   HD11  LEU  79          HD11      LEU  79   0.297  -4.351  -0.162
  597   HD12  LEU  79          HD12      LEU  79  -1.247  -4.008   0.650
  598   HD13  LEU  79          HD13      LEU  79   0.261  -3.880   1.546
  599   HD21  LEU  79          HD21      LEU  79  -0.111  -2.708  -1.884
  600   HD22  LEU  79          HD22      LEU  79  -0.476  -1.033  -1.475
  601   HD23  LEU  79          HD23      LEU  79  -1.691  -2.288  -1.225
  602    H    ASP  80           HN       ASP  80  -1.357  -1.661   4.611
  603    HA   ASP  80           HA       ASP  80  -2.949   0.606   4.861
  604    HB2  ASP  80           HB2      ASP  80  -3.241  -1.672   6.008
  605    HB3  ASP  80           HB1      ASP  80  -2.018  -1.145   7.156
  606    H    THR  81           HN       THR  81   0.005  -0.482   6.334
  607    HA   THR  81           HA       THR  81   0.728   1.691   7.947
  608    HB   THR  81           HB       THR  81   2.374  -0.447   6.562
  609    HG1  THR  81           HG1      THR  81   0.738  -1.092   8.059
  610   HG21  THR  81          HG21      THR  81   3.146   1.286   8.908
  611   HG22  THR  81          HG22      THR  81   3.823   1.374   7.274
  612   HG23  THR  81          HG23      THR  81   4.080  -0.065   8.256
  613    H    LEU  82           HN       LEU  82   1.017   1.121   4.540
  614    HA   LEU  82           HA       LEU  82   3.136   2.964   4.011
  615    HB2  LEU  82           HB2      LEU  82   1.226   1.663   2.148
  616    HB3  LEU  82           HB1      LEU  82   2.600   2.613   1.654
  617    HG   LEU  82           HG       LEU  82   2.732  -0.138   2.969
  618   HD11  LEU  82          HD11      LEU  82   2.308  -0.201   0.701
  619   HD12  LEU  82          HD12      LEU  82   3.985  -0.670   1.037
  620   HD13  LEU  82          HD13      LEU  82   3.624   0.921   0.384
  621   HD21  LEU  82          HD21      LEU  82   4.438   1.308   4.037
  622   HD22  LEU  82          HD22      LEU  82   4.989   1.817   2.447
  623   HD23  LEU  82          HD23      LEU  82   5.185   0.144   2.946
  624    H    VAL  83           HN       VAL  83  -0.362   3.284   4.007
  625    HA   VAL  83           HA       VAL  83  -0.491   5.444   2.233
  626    HB   VAL  83           HB       VAL  83  -2.500   4.297   2.826
  627   HG11  VAL  83          HG11      VAL  83  -3.619   4.614   5.021
  628   HG12  VAL  83          HG12      VAL  83  -2.200   5.506   5.582
  629   HG13  VAL  83          HG13      VAL  83  -2.061   3.796   5.172
  630   HG21  VAL  83          HG21      VAL  83  -2.626   7.155   3.745
  631   HG22  VAL  83          HG22      VAL  83  -4.026   6.207   3.213
  632   HG23  VAL  83          HG23      VAL  83  -2.729   6.611   2.076
  633    H    GLU  84           HN       GLU  84   0.138   5.425   5.617
  634    HA   GLU  84           HA       GLU  84   0.073   8.178   6.054
  635    HB2  GLU  84           HB2      GLU  84   1.617   6.005   7.469
  636    HB3  GLU  84           HB1      GLU  84   1.474   7.652   8.067
  637    HG2  GLU  84           HG2      GLU  84  -0.816   5.758   7.601
  638    HG3  GLU  84           HG1      GLU  84  -0.085   6.127   9.167
  639    H    SER  85           HN       SER  85   2.321   6.285   4.307
  640    HA   SER  85           HA       SER  85   4.553   8.108   4.690
  641    HB2  SER  85           HB2      SER  85   4.321   5.697   2.869
  642    HB3  SER  85           HB1      SER  85   5.801   6.544   3.316
  643    HG   SER  85           HG       SER  85   5.448   4.617   4.449
  644    H    ILE  86           HN       ILE  86   2.038   7.251   2.366
  645    HA   ILE  86           HA       ILE  86   3.215   8.525   0.103
  646    HB   ILE  86           HB       ILE  86   0.245   8.022   0.438
  647   HG12  ILE  86          HG12      ILE  86   2.295   6.057  -0.594
  648   HG13  ILE  86          HG11      ILE  86   1.479   5.928   0.964
  649   HG21  ILE  86          HG21      ILE  86   0.919   9.337  -1.522
  650   HG22  ILE  86          HG22      ILE  86   0.304   7.758  -2.012
  651   HG23  ILE  86          HG23      ILE  86   2.041   8.060  -2.001
  652   HD11  ILE  86          HD11      ILE  86  -0.653   5.681  -0.112
  653   HD12  ILE  86          HD12      ILE  86   0.463   4.500  -0.816
  654   HD13  ILE  86          HD13      ILE  86   0.056   5.990  -1.687
  655    H    ARG  87           HN       ARG  87   1.290   9.588   2.765
  656    HA   ARG  87           HA       ARG  87  -0.019  11.770   1.658
  657    HB2  ARG  87           HB2      ARG  87  -0.510  10.916   3.920
  658    HB3  ARG  87           HB1      ARG  87   1.037  11.531   4.475
  659    HG2  ARG  87           HG2      ARG  87   0.333  13.735   4.361
  660    HG3  ARG  87           HG1      ARG  87  -1.007  13.347   3.277
  661    HD2  ARG  87           HD2      ARG  87  -1.786  13.809   5.539
  662    HD3  ARG  87           HD1      ARG  87  -2.140  12.160   5.055
  663    HE   ARG  87           HE       ARG  87   0.037  12.936   6.874
  664   HH11  ARG  87          HH11      ARG  87  -2.403  10.526   5.801
  665   HH12  ARG  87          HH12      ARG  87  -2.090   9.483   7.101
  666   HH21  ARG  87          HH21      ARG  87   0.339  11.411   8.743
  667   HH22  ARG  87          HH22      ARG  87  -0.616   9.996   8.741
  668    H    ARG  88           HN       ARG  88   3.194  11.463   2.828
  669    HA   ARG  88           HA       ARG  88   3.876  14.215   2.245
  670    HB2  ARG  88           HB2      ARG  88   4.577  13.251   4.392
  671    HB3  ARG  88           HB1      ARG  88   5.463  12.001   3.550
  672    HG2  ARG  88           HG2      ARG  88   6.943  13.725   4.481
  673    HG3  ARG  88           HG1      ARG  88   7.059  13.651   2.728
  674    HD2  ARG  88           HD2      ARG  88   5.290  15.646   4.140
  675    HD3  ARG  88           HD1      ARG  88   6.988  15.976   3.806
  676    HE   ARG  88           HE       ARG  88   6.060  15.223   1.415
  677   HH11  ARG  88          HH11      ARG  88   4.778  17.604   3.692
  678   HH12  ARG  88          HH12      ARG  88   4.178  18.658   2.496
  679   HH21  ARG  88          HH21      ARG  88   5.313  16.638  -0.219
  680   HH22  ARG  88          HH22      ARG  88   4.485  18.083   0.158
  681    H    GLU  89           HN       GLU  89   3.597  11.510   0.320
  682    HA   GLU  89           HA       GLU  89   6.014  10.446  -0.300
  683    HB2  GLU  89           HB2      GLU  89   3.448  10.182  -1.313
  684    HB3  GLU  89           HB1      GLU  89   4.320  10.830  -2.679
  685    HG2  GLU  89           HG2      GLU  89   5.255   8.362  -1.212
  686    HG3  GLU  89           HG1      GLU  89   4.207   8.322  -2.620
  687    H    LYS  90           HN       LYS  90   4.934  12.532  -3.136
  688    HA   LYS  90           HA       LYS  90   7.477  13.905  -2.565
  689    HB2  LYS  90           HB2      LYS  90   5.747  14.211  -5.062
  690    HB3  LYS  90           HB1      LYS  90   7.234  15.079  -4.766
  691    HG2  LYS  90           HG2      LYS  90   7.742  13.383  -6.327
  692    HG3  LYS  90           HG1      LYS  90   8.405  12.833  -4.794
  693    HD2  LYS  90           HD2      LYS  90   6.523  11.326  -4.485
  694    HD3  LYS  90           HD1      LYS  90   5.751  11.950  -5.944
  695    HE2  LYS  90           HE2      LYS  90   7.607  11.112  -7.294
  696    HE3  LYS  90           HE1      LYS  90   8.407  10.523  -5.841
  697    HZ1  LYS  90           HZ1      LYS  90   5.764   9.511  -6.843
  698    HZ2  LYS  90           HZ2      LYS  90   6.532   9.050  -5.465
  699    HZ3  LYS  90           HZ3      LYS  90   7.243   8.706  -6.943
  700    H    THR  91           HN       THR  91   4.507  14.944  -3.968
  701    HA   THR  91           HA       THR  91   3.944  16.898  -1.849
  702    HB   THR  91           HB       THR  91   3.003  16.993  -4.725
  703    HG1  THR  91           HG1      THR  91   5.423  17.571  -3.616
  704   HG21  THR  91          HG21      THR  91   3.122  19.113  -2.557
  705   HG22  THR  91          HG22      THR  91   1.659  18.294  -3.103
  706   HG23  THR  91          HG23      THR  91   2.538  19.354  -4.204
  707    H    GLN  92           HN       GLN  92   2.942  14.287  -3.776
  708    HA   GLN  92           HA       GLN  92   0.422  14.458  -4.403
  709    HB2  GLN  92           HB2      GLN  92   2.018  12.038  -3.773
  710    HB3  GLN  92           HB1      GLN  92   0.336  11.896  -4.244
  711    HG2  GLN  92           HG2      GLN  92   1.833  11.592  -6.155
  712    HG3  GLN  92           HG1      GLN  92   0.810  13.003  -6.367
  713   HE21  GLN  92          HE21      GLN  92   2.199  13.920  -7.866
  714   HE22  GLN  92          HE22      GLN  92   3.722  14.592  -7.434
  715    H    ASN  93           HN       ASN  93  -0.819  15.514  -2.945
  716    HA   ASN  93           HA       ASN  93  -1.933  14.132  -0.685
  717    HB2  ASN  93           HB2      ASN  93  -1.965  16.576  -0.777
  718    HB3  ASN  93           HB1      ASN  93  -2.880  16.535  -2.272
  719   HD21  ASN  93          HD21      ASN  93  -3.026  16.172   1.176
  720   HD22  ASN  93          HD22      ASN  93  -4.756  16.180   1.285
  721    H    PHE  94           HN       PHE  94  -2.436  14.257  -4.054
  722    HA   PHE  94           HA       PHE  94  -5.117  13.710  -4.335
  723    HB2  PHE  94           HB2      PHE  94  -3.768  14.380  -6.236
  724    HB3  PHE  94           HB1      PHE  94  -2.846  12.884  -6.155
  725    HD1  PHE  94           HD1      PHE  94  -6.221  14.263  -6.832
  726    HD2  PHE  94           HD2      PHE  94  -3.570  10.966  -7.312
  727    HE1  PHE  94           HE1      PHE  94  -7.802  13.222  -8.403
  728    HE2  PHE  94           HE2      PHE  94  -5.148   9.919  -8.881
  729    HZ   PHE  94           HZ       PHE  94  -7.267  11.048  -9.429
  730    H    LEU  95           HN       LEU  95  -2.444  11.413  -3.995
  731    HA   LEU  95           HA       LEU  95  -3.944   9.062  -4.389
  732    HB2  LEU  95           HB2      LEU  95  -1.316   9.628  -3.108
  733    HB3  LEU  95           HB1      LEU  95  -2.045   8.056  -2.898
  734    HG   LEU  95           HG       LEU  95  -0.443   7.944  -4.631
  735   HD11  LEU  95          HD11      LEU  95  -3.223   7.847  -5.781
  736   HD12  LEU  95          HD12      LEU  95  -2.358   6.598  -4.871
  737   HD13  LEU  95          HD13      LEU  95  -1.774   7.085  -6.458
  738   HD21  LEU  95          HD21      LEU  95  -1.942  10.174  -5.985
  739   HD22  LEU  95          HD22      LEU  95  -0.636   9.221  -6.710
  740   HD23  LEU  95          HD23      LEU  95  -0.314  10.231  -5.297
  741    H    ILE  96           HN       ILE  96  -3.489  11.093  -1.713
  742    HA   ILE  96           HA       ILE  96  -4.010   9.139   0.285
  743    HB   ILE  96           HB       ILE  96  -4.246  12.119   0.763
  744   HG12  ILE  96          HG12      ILE  96  -2.315  11.980  -0.695
  745   HG13  ILE  96          HG11      ILE  96  -1.776  12.266   0.950
  746   HG21  ILE  96          HG21      ILE  96  -4.523  10.722   2.725
  747   HG22  ILE  96          HG22      ILE  96  -2.898  11.477   2.782
  748   HG23  ILE  96          HG23      ILE  96  -3.069   9.811   2.296
  749   HD11  ILE  96          HD11      ILE  96  -1.160   9.876   1.118
  750   HD12  ILE  96          HD12      ILE  96  -0.312  10.655  -0.213
  751   HD13  ILE  96          HD13      ILE  96  -1.707   9.633  -0.536
  752    H    GLN  97           HN       GLN  97  -5.830  11.598  -1.419
  753    HA   GLN  97           HA       GLN  97  -8.268  10.902  -0.066
  754    HB2  GLN  97           HB2      GLN  97  -7.729  12.687  -2.443
  755    HB3  GLN  97           HB1      GLN  97  -9.347  12.373  -1.834
  756    HG2  GLN  97           HG2      GLN  97  -8.669  13.299   0.354
  757    HG3  GLN  97           HG1      GLN  97  -7.092  13.684  -0.331
  758   HE21  GLN  97          HE21      GLN  97  -6.893  15.457  -1.684
  759   HE22  GLN  97          HE22      GLN  97  -8.204  16.550  -1.947
  760    H    LYS  98           HN       LYS  98  -6.612  10.010  -2.984
  761    HA   LYS  98           HA       LYS  98  -8.645   8.689  -4.368
  762    HB2  LYS  98           HB2      LYS  98  -6.442   9.113  -5.387
  763    HB3  LYS  98           HB1      LYS  98  -5.699   8.027  -4.229
  764    HG2  LYS  98           HG2      LYS  98  -5.766   6.722  -6.166
  765    HG3  LYS  98           HG1      LYS  98  -7.189   6.205  -5.284
  766    HD2  LYS  98           HD2      LYS  98  -7.202   8.203  -7.567
  767    HD3  LYS  98           HD1      LYS  98  -7.575   6.495  -7.728
  768    HE2  LYS  98           HE2      LYS  98  -9.154   8.589  -6.214
  769    HE3  LYS  98           HE1      LYS  98  -9.607   7.761  -7.686
  770    HZ1  LYS  98           HZ1      LYS  98  -9.716   5.644  -6.434
  771    HZ2  LYS  98           HZ2      LYS  98 -10.757   6.767  -5.855
  772    HZ3  LYS  98           HZ3      LYS  98  -9.348   6.456  -5.010
  773    H    ILE  99           HN       ILE  99  -6.393   7.459  -1.936
  774    HA   ILE  99           HA       ILE  99  -7.280   4.807  -1.896
  775    HB   ILE  99           HB       ILE  99  -6.042   6.439   0.349
  776   HG12  ILE  99          HG12      ILE  99  -4.798   4.620  -1.717
  777   HG13  ILE  99          HG11      ILE  99  -4.758   6.370  -1.756
  778   HG21  ILE  99          HG21      ILE  99  -5.337   4.272   1.282
  779   HG22  ILE  99          HG22      ILE  99  -6.207   3.431  -0.001
  780   HG23  ILE  99          HG23      ILE  99  -7.096   4.376   1.194
  781   HD11  ILE  99          HD11      ILE  99  -2.665   5.403  -0.974
  782   HD12  ILE  99          HD12      ILE  99  -3.517   4.674   0.395
  783   HD13  ILE  99          HD13      ILE  99  -3.431   6.432   0.230
  784    H    THR 100           HN       THR 100  -8.242   7.630  -0.005
  785    HA   THR 100           HA       THR 100 -10.092   6.456   1.695
  786    HB   THR 100           HB       THR 100 -10.140   9.260   0.527
  787    HG1  THR 100           HG1      THR 100  -8.162   9.161   1.556
  788   HG21  THR 100          HG21      THR 100 -12.205   8.658   1.748
  789   HG22  THR 100          HG22      THR 100 -11.270   9.863   2.635
  790   HG23  THR 100          HG23      THR 100 -11.236   8.173   3.141
  791    H    ASP 101           HN       ASP 101 -10.572   7.945  -1.510
  792    HA   ASP 101           HA       ASP 101 -13.312   7.521  -1.842
  793    HB2  ASP 101           HB2      ASP 101 -12.294   8.906  -3.456
  794    HB3  ASP 101           HB1      ASP 101 -11.036   7.730  -3.801
  795    H    GLU 102           HN       GLU 102 -10.608   5.386  -2.612
  796    HA   GLU 102           HA       GLU 102 -12.108   3.388  -3.853
  797    HB2  GLU 102           HB2      GLU 102  -9.488   3.159  -2.386
  798    HB3  GLU 102           HB1      GLU 102 -10.214   1.847  -3.295
  799    HG2  GLU 102           HG2      GLU 102  -9.242   4.484  -4.374
  800    HG3  GLU 102           HG1      GLU 102  -8.516   2.899  -4.621
  801    H    VAL 103           HN       VAL 103 -11.156   3.696  -0.473
  802    HA   VAL 103           HA       VAL 103 -11.972   1.206   0.377
  803    HB   VAL 103           HB       VAL 103 -11.977   3.776   1.987
  804   HG11  VAL 103          HG11      VAL 103 -13.382   2.096   3.088
  805   HG12  VAL 103          HG12      VAL 103 -11.886   2.373   3.980
  806   HG13  VAL 103          HG13      VAL 103 -12.063   0.925   2.987
  807   HG21  VAL 103          HG21      VAL 103  -9.818   2.962   2.819
  808   HG22  VAL 103          HG22      VAL 103  -9.801   3.180   1.070
  809   HG23  VAL 103          HG23      VAL 103  -9.940   1.562   1.754
  810    H    LEU 104           HN       LEU 104 -14.014   4.143   0.604
  811    HA   LEU 104           HA       LEU 104 -16.247   2.668   1.626
  812    HB2  LEU 104           HB2      LEU 104 -16.111   5.451   0.446
  813    HB3  LEU 104           HB1      LEU 104 -17.572   4.760   1.107
  814    HG   LEU 104           HG       LEU 104 -16.702   6.232   2.733
  815   HD11  LEU 104          HD11      LEU 104 -17.597   4.217   3.658
  816   HD12  LEU 104          HD12      LEU 104 -16.281   4.828   4.655
  817   HD13  LEU 104          HD13      LEU 104 -16.011   3.446   3.596
  818   HD21  LEU 104          HD21      LEU 104 -14.043   4.814   2.528
  819   HD22  LEU 104          HD22      LEU 104 -14.439   6.090   3.681
  820   HD23  LEU 104          HD23      LEU 104 -14.401   6.442   1.953
  821    H    LYS 105           HN       LYS 105 -15.123   3.346  -1.537
  822    HA   LYS 105           HA       LYS 105 -17.593   2.839  -2.927
  823    HB2  LYS 105           HB2      LYS 105 -15.843   4.360  -3.740
  824    HB3  LYS 105           HB1      LYS 105 -14.747   2.993  -3.809
  825    HG2  LYS 105           HG2      LYS 105 -16.043   2.013  -5.614
  826    HG3  LYS 105           HG1      LYS 105 -17.216   3.333  -5.509
  827    HD2  LYS 105           HD2      LYS 105 -15.615   3.724  -7.331
  828    HD3  LYS 105           HD1      LYS 105 -15.457   4.947  -6.069
  829    HE2  LYS 105           HE2      LYS 105 -13.567   3.648  -5.120
  830    HE3  LYS 105           HE1      LYS 105 -13.679   2.537  -6.484
  831    HZ1  LYS 105           HZ1      LYS 105 -11.978   4.095  -6.830
  832    HZ2  LYS 105           HZ2      LYS 105 -12.945   5.390  -6.451
  833    HZ3  LYS 105           HZ3      LYS 105 -13.216   4.531  -7.913
  834    H    LEU 106           HN       LEU 106 -14.682   1.091  -2.066
  835    HA   LEU 106           HA       LEU 106 -15.122  -1.274  -3.508
  836    HB2  LEU 106           HB2      LEU 106 -13.282  -0.471  -1.351
  837    HB3  LEU 106           HB1      LEU 106 -13.690  -2.171  -1.392
  838    HG   LEU 106           HG       LEU 106 -11.595  -1.757  -2.543
  839   HD11  LEU 106          HD11      LEU 106 -12.053  -2.877  -4.646
  840   HD12  LEU 106          HD12      LEU 106 -13.773  -2.547  -4.461
  841   HD13  LEU 106          HD13      LEU 106 -12.948  -3.601  -3.311
  842   HD21  LEU 106          HD21      LEU 106 -13.187  -0.041  -4.443
  843   HD22  LEU 106          HD22      LEU 106 -11.480  -0.482  -4.613
  844   HD23  LEU 106          HD23      LEU 106 -12.011   0.520  -3.255
  845    H    ARG 107           HN       ARG 107 -16.872  -0.092  -1.008
  846    HA   ARG 107           HA       ARG 107 -17.621  -1.963   0.787
  847    HB2  ARG 107           HB2      ARG 107 -18.685   0.191   0.688
  848    HB3  ARG 107           HB1      ARG 107 -19.457  -0.212  -0.835
  849    HG2  ARG 107           HG2      ARG 107 -20.805  -1.912   0.301
  850    HG3  ARG 107           HG1      ARG 107 -20.030  -1.503   1.830
  851    HD2  ARG 107           HD2      ARG 107 -22.232  -0.436   1.587
  852    HD3  ARG 107           HD1      ARG 107 -20.933   0.744   1.719
  853    HE   ARG 107           HE       ARG 107 -21.221   0.428  -0.937
  854   HH11  ARG 107          HH11      ARG 107 -23.522   1.185   1.629
  855   HH12  ARG 107          HH12      ARG 107 -24.520   2.200   0.702
  856   HH21  ARG 107          HH21      ARG 107 -22.588   1.846  -2.290
  857   HH22  ARG 107          HH22      ARG 107 -23.960   2.584  -1.625
  858    H    ASN 108           HN       ASN 108 -18.427  -2.184  -2.648
  859    HA   ASN 108           HA       ASN 108 -20.288  -4.268  -2.630
  860    HB2  ASN 108           HB2      ASN 108 -19.913  -3.310  -4.731
  861    HB3  ASN 108           HB1      ASN 108 -18.147  -3.537  -4.667
  862   HD21  ASN 108          HD21      ASN 108 -20.811  -5.874  -4.049
  863   HD22  ASN 108          HD22      ASN 108 -20.421  -6.850  -5.384
  864    H    ILE 109           HN       ILE 109 -16.731  -4.442  -2.502
  865    HA   ILE 109           HA       ILE 109 -16.729  -7.244  -2.718
  866    HB   ILE 109           HB       ILE 109 -14.711  -5.765  -3.286
  867   HG12  ILE 109          HG12      ILE 109 -13.025  -7.437  -2.557
  868   HG13  ILE 109          HG11      ILE 109 -14.238  -8.171  -1.520
  869   HG21  ILE 109          HG21      ILE 109 -14.623  -4.454  -1.249
  870   HG22  ILE 109          HG22      ILE 109 -13.102  -5.306  -1.522
  871   HG23  ILE 109          HG23      ILE 109 -14.246  -5.907  -0.320
  872   HD11  ILE 109          HD11      ILE 109 -13.942  -9.406  -3.593
  873   HD12  ILE 109          HD12      ILE 109 -14.373  -7.974  -4.524
  874   HD13  ILE 109          HD13      ILE 109 -15.571  -8.746  -3.485
  875    H    LYS 110           HN       LYS 110 -17.120  -5.172  -0.030
  876    HA   LYS 110           HA       LYS 110 -16.593  -6.993   2.063
  877    HB2  LYS 110           HB2      LYS 110 -16.827  -4.688   2.595
  878    HB3  LYS 110           HB1      LYS 110 -18.418  -4.603   1.867
  879    HG2  LYS 110           HG2      LYS 110 -18.436  -4.501   4.329
  880    HG3  LYS 110           HG1      LYS 110 -19.360  -5.849   3.685
  881    HD2  LYS 110           HD2      LYS 110 -17.667  -7.406   4.300
  882    HD3  LYS 110           HD1      LYS 110 -16.525  -6.115   4.679
  883    HE2  LYS 110           HE2      LYS 110 -17.627  -7.190   6.677
  884    HE3  LYS 110           HE1      LYS 110 -17.795  -5.439   6.578
  885    HZ1  LYS 110           HZ1      LYS 110 -19.857  -6.440   7.185
  886    HZ2  LYS 110           HZ2      LYS 110 -19.980  -7.341   5.736
  887    HZ3  LYS 110           HZ3      LYS 110 -19.956  -5.642   5.776
  888    H    LEU 111           HN       LEU 111 -19.634  -6.165   0.444
  889    HA   LEU 111           HA       LEU 111 -21.017  -8.317   1.750
  890    HB2  LEU 111           HB2      LEU 111 -22.961  -7.604   0.395
  891    HB3  LEU 111           HB1      LEU 111 -22.273  -6.321   1.363
  892    HG   LEU 111           HG       LEU 111 -21.016  -5.747  -0.785
  893   HD11  LEU 111          HD11      LEU 111 -22.332  -6.134  -2.864
  894   HD12  LEU 111          HD12      LEU 111 -23.380  -7.223  -1.956
  895   HD13  LEU 111          HD13      LEU 111 -21.673  -7.614  -2.167
  896   HD21  LEU 111          HD21      LEU 111 -22.561  -4.245   0.271
  897   HD22  LEU 111          HD22      LEU 111 -23.937  -5.115  -0.406
  898   HD23  LEU 111          HD23      LEU 111 -22.851  -4.218  -1.467
  899    H    GLU 112           HN       GLU 112 -19.100  -8.021  -1.002
  900    HA   GLU 112           HA       GLU 112 -20.294 -10.238  -2.357
  901    HB2  GLU 112           HB2      GLU 112 -18.856  -8.192  -3.274
  902    HB3  GLU 112           HB1      GLU 112 -17.544  -9.340  -3.020
  903    HG2  GLU 112           HG2      GLU 112 -18.390  -9.422  -5.305
  904    HG3  GLU 112           HG1      GLU 112 -18.649 -10.953  -4.458
  905    H    HIS 113           HN       HIS 113 -17.796  -9.771  -0.004
  906    HA   HIS 113           HA       HIS 113 -16.542 -12.381  -0.230
  907    HB2  HIS 113           HB2      HIS 113 -16.747 -10.667   2.282
  908    HB3  HIS 113           HB1      HIS 113 -15.709 -12.053   2.084
  909    HD1  HIS 113           HD1      HIS 113 -15.281  -8.794   2.658
  910    HD2  HIS 113           HD2      HIS 113 -13.932 -11.104  -0.529
  911    HE1  HIS 113           HE1      HIS 113 -13.234  -7.634   1.810
  912    HE2  HIS 113           HE2      HIS 113 -12.499  -8.880  -0.147
  913    H    LEU 114           HN       LEU 114 -19.453 -11.206   0.902
  914    HA   LEU 114           HA       LEU 114 -19.996 -13.414   2.730
  915    HB2  LEU 114           HB2      LEU 114 -19.997 -11.324   3.858
  916    HB3  LEU 114           HB1      LEU 114 -20.804 -10.518   2.553
  917    HG   LEU 114           HG       LEU 114 -22.058 -10.721   4.704
  918   HD11  LEU 114          HD11      LEU 114 -24.213 -11.141   3.679
  919   HD12  LEU 114          HD12      LEU 114 -23.405 -11.898   2.300
  920   HD13  LEU 114          HD13      LEU 114 -23.143 -10.184   2.638
  921   HD21  LEU 114          HD21      LEU 114 -23.199 -12.837   5.214
  922   HD22  LEU 114          HD22      LEU 114 -21.447 -13.005   5.320
  923   HD23  LEU 114          HD23      LEU 114 -22.309 -13.626   3.913
  924    H    LYS 115           HN       LYS 115 -21.846 -14.659   2.380
  925    HA   LYS 115           HA       LYS 115 -24.137 -14.169   1.118
  926    HB2  LYS 115           HB2      LYS 115 -22.047 -15.116  -0.801
  927    HB3  LYS 115           HB1      LYS 115 -23.594 -15.940  -0.873
  928    HG2  LYS 115           HG2      LYS 115 -24.745 -13.918  -1.431
  929    HG3  LYS 115           HG1      LYS 115 -23.320 -12.944  -1.086
  930    HD2  LYS 115           HD2      LYS 115 -23.532 -14.988  -3.303
  931    HD3  LYS 115           HD1      LYS 115 -23.716 -13.245  -3.513
  932    HE2  LYS 115           HE2      LYS 115 -21.222 -14.669  -2.536
  933    HE3  LYS 115           HE1      LYS 115 -21.471 -13.961  -4.122
  934    HZ1  LYS 115           HZ1      LYS 115 -21.501 -11.796  -3.235
  935    HZ2  LYS 115           HZ2      LYS 115 -20.195 -12.558  -2.515
  936    HZ3  LYS 115           HZ3      LYS 115 -21.612 -12.347  -1.633
  Start of MODEL    8
    1    H    GLU  10           HT1      GLU  10 -11.574   7.698   7.785
    2    HA   GLU  10           HA       GLU  10 -13.843   6.425   6.481
    3    HB2  GLU  10           HB2      GLU  10 -12.155   5.378   4.984
    4    HB3  GLU  10           HB1      GLU  10 -12.327   7.112   4.791
    5    HG2  GLU  10           HG2      GLU  10 -10.283   5.863   6.487
    6    HG3  GLU  10           HG1      GLU  10  -9.967   6.172   4.760
    7    H    GLU  11           HN       GLU  11 -12.129   6.075   9.242
    8    HA   GLU  11           HA       GLU  11 -10.958   3.666   9.533
    9    HB2  GLU  11           HB2      GLU  11 -13.045   4.308  11.576
   10    HB3  GLU  11           HB1      GLU  11 -11.394   3.786  11.810
   11    HG2  GLU  11           HG2      GLU  11 -11.483   5.975  12.648
   12    HG3  GLU  11           HG1      GLU  11 -10.727   6.144  11.061
   13    H    ASP  12           HN       ASP  12 -14.456   4.093  10.058
   14    HA   ASP  12           HA       ASP  12 -15.270   1.477  10.411
   15    HB2  ASP  12           HB2      ASP  12 -16.855   3.194  10.808
   16    HB3  ASP  12           HB1      ASP  12 -16.737   3.804   9.164
   17    H    LEU  13           HN       LEU  13 -14.713   3.112   7.419
   18    HA   LEU  13           HA       LEU  13 -15.830   0.995   5.770
   19    HB2  LEU  13           HB2      LEU  13 -14.501   3.513   4.598
   20    HB3  LEU  13           HB1      LEU  13 -15.581   2.380   3.922
   21    HG   LEU  13           HG       LEU  13 -17.428   3.192   5.323
   22   HD11  LEU  13          HD11      LEU  13 -15.532   5.398   6.091
   23   HD12  LEU  13          HD12      LEU  13 -16.199   4.177   7.176
   24   HD13  LEU  13          HD13      LEU  13 -17.264   5.361   6.419
   25   HD21  LEU  13          HD21      LEU  13 -17.138   3.937   3.051
   26   HD22  LEU  13          HD22      LEU  13 -16.050   5.216   3.590
   27   HD23  LEU  13          HD23      LEU  13 -17.751   5.252   4.056
   28    H    THR  14           HN       THR  14 -12.888   1.517   7.222
   29    HA   THR  14           HA       THR  14 -11.705   0.684   4.836
   30    HB   THR  14           HB       THR  14  -9.446   1.458   5.743
   31    HG1  THR  14           HG1      THR  14 -11.360   3.068   7.097
   32   HG21  THR  14          HG21      THR  14 -11.652   3.275   4.828
   33   HG22  THR  14          HG22      THR  14 -10.790   2.152   3.815
   34   HG23  THR  14          HG23      THR  14  -9.911   3.520   4.551
   35    H    GLU  15           HN       GLU  15 -11.932  -1.154   7.692
   36    HA   GLU  15           HA       GLU  15  -9.599  -2.556   7.022
   37    HB2  GLU  15           HB2      GLU  15 -11.803  -3.303   8.790
   38    HB3  GLU  15           HB1      GLU  15 -10.761  -4.617   8.235
   39    HG2  GLU  15           HG2      GLU  15  -9.976  -2.165   9.779
   40    HG3  GLU  15           HG1      GLU  15  -9.725  -3.865  10.209
   41    H    VAL  16           HN       VAL  16 -12.329  -2.619   5.385
   42    HA   VAL  16           HA       VAL  16 -12.051  -4.959   4.011
   43    HB   VAL  16           HB       VAL  16 -13.164  -3.629   2.021
   44   HG11  VAL  16          HG11      VAL  16 -14.265  -5.354   3.453
   45   HG12  VAL  16          HG12      VAL  16 -15.340  -4.002   3.139
   46   HG13  VAL  16          HG13      VAL  16 -14.524  -4.132   4.698
   47   HG21  VAL  16          HG21      VAL  16 -12.596  -1.501   3.083
   48   HG22  VAL  16          HG22      VAL  16 -13.521  -2.064   4.455
   49   HG23  VAL  16          HG23      VAL  16 -14.369  -1.698   2.943
   50    H    LYS  17           HN       LYS  17 -10.121  -2.170   3.943
   51    HA   LYS  17           HA       LYS  17  -9.101  -1.560   1.546
   52    HB2  LYS  17           HB2      LYS  17  -7.569  -1.949   4.102
   53    HB3  LYS  17           HB1      LYS  17  -6.738  -1.488   2.641
   54    HG2  LYS  17           HG2      LYS  17  -8.024   0.580   2.565
   55    HG3  LYS  17           HG1      LYS  17  -8.897   0.102   4.029
   56    HD2  LYS  17           HD2      LYS  17  -5.889   0.233   4.048
   57    HD3  LYS  17           HD1      LYS  17  -6.811   1.721   4.177
   58    HE2  LYS  17           HE2      LYS  17  -6.032   0.700   6.353
   59    HE3  LYS  17           HE1      LYS  17  -7.735   1.055   6.319
   60    HZ1  LYS  17           HZ1      LYS  17  -7.275  -1.146   7.307
   61    HZ2  LYS  17           HZ2      LYS  17  -6.466  -1.600   5.913
   62    HZ3  LYS  17           HZ3      LYS  17  -8.126  -1.307   5.870
   63    H    LYS  18           HN       LYS  18  -8.372  -4.581   3.182
   64    HA   LYS  18           HA       LYS  18  -6.067  -5.575   2.158
   65    HB2  LYS  18           HB2      LYS  18  -8.626  -6.789   2.927
   66    HB3  LYS  18           HB1      LYS  18  -7.698  -7.757   1.812
   67    HG2  LYS  18           HG2      LYS  18  -7.170  -8.583   3.944
   68    HG3  LYS  18           HG1      LYS  18  -5.788  -7.620   3.484
   69    HD2  LYS  18           HD2      LYS  18  -7.961  -6.497   5.251
   70    HD3  LYS  18           HD1      LYS  18  -6.677  -7.493   5.916
   71    HE2  LYS  18           HE2      LYS  18  -5.052  -5.844   4.864
   72    HE3  LYS  18           HE1      LYS  18  -6.455  -4.840   4.532
   73    HZ1  LYS  18           HZ1      LYS  18  -6.936  -4.702   6.991
   74    HZ2  LYS  18           HZ2      LYS  18  -5.404  -4.161   6.630
   75    HZ3  LYS  18           HZ3      LYS  18  -5.598  -5.669   7.286
   76    H    ASP  19           HN       ASP  19  -9.144  -5.346   0.322
   77    HA   ASP  19           HA       ASP  19  -7.889  -6.709  -1.909
   78    HB2  ASP  19           HB2      ASP  19 -10.179  -7.348  -1.272
   79    HB3  ASP  19           HB1      ASP  19 -10.739  -5.749  -1.771
   80    H    ALA  20           HN       ALA  20  -9.236  -3.466  -1.339
   81    HA   ALA  20           HA       ALA  20  -9.341  -2.424  -3.968
   82    HB1  ALA  20           HB1      ALA  20  -8.792  -0.933  -1.413
   83    HB2  ALA  20           HB2      ALA  20 -10.381  -1.208  -2.149
   84    HB3  ALA  20           HB3      ALA  20  -9.189  -0.171  -2.938
   85    H    LEU  21           HN       LEU  21  -6.715  -2.904  -1.956
   86    HA   LEU  21           HA       LEU  21  -4.910  -1.018  -2.876
   87    HB2  LEU  21           HB2      LEU  21  -4.309  -3.731  -1.721
   88    HB3  LEU  21           HB1      LEU  21  -3.240  -2.335  -1.725
   89    HG   LEU  21           HG       LEU  21  -5.896  -2.468  -0.293
   90   HD11  LEU  21          HD11      LEU  21  -3.144  -2.652   0.828
   91   HD12  LEU  21          HD12      LEU  21  -4.360  -3.928   0.759
   92   HD13  LEU  21          HD13      LEU  21  -4.636  -2.493   1.748
   93   HD21  LEU  21          HD21      LEU  21  -5.339  -0.204  -0.931
   94   HD22  LEU  21          HD22      LEU  21  -3.749  -0.373  -0.156
   95   HD23  LEU  21          HD23      LEU  21  -5.217  -0.424   0.812
   96    H    GLU  22           HN       GLU  22  -6.116  -3.784  -4.379
   97    HA   GLU  22           HA       GLU  22  -4.340  -4.938  -6.091
   98    HB2  GLU  22           HB2      GLU  22  -6.832  -5.315  -5.874
   99    HB3  GLU  22           HB1      GLU  22  -7.059  -3.933  -6.930
  100    HG2  GLU  22           HG2      GLU  22  -7.251  -5.905  -8.248
  101    HG3  GLU  22           HG1      GLU  22  -5.712  -5.142  -8.658
  102    H    ASN  23           HN       ASN  23  -6.199  -1.967  -6.834
  103    HA   ASN  23           HA       ASN  23  -4.520  -1.520  -9.181
  104    HB2  ASN  23           HB2      ASN  23  -6.927   0.073  -8.236
  105    HB3  ASN  23           HB1      ASN  23  -6.054   0.328  -9.728
  106   HD21  ASN  23          HD21      ASN  23  -5.716  -2.600 -10.214
  107   HD22  ASN  23          HD22      ASN  23  -7.287  -3.117 -10.717
  108    H    LEU  24           HN       LEU  24  -4.703  -0.595  -6.007
  109    HA   LEU  24           HA       LEU  24  -3.822   2.068  -5.941
  110    HB2  LEU  24           HB2      LEU  24  -4.541   0.309  -4.163
  111    HB3  LEU  24           HB1      LEU  24  -2.798   0.138  -3.979
  112    HG   LEU  24           HG       LEU  24  -2.898   2.748  -3.818
  113   HD11  LEU  24          HD11      LEU  24  -5.202   2.962  -4.376
  114   HD12  LEU  24          HD12      LEU  24  -4.932   3.459  -2.698
  115   HD13  LEU  24          HD13      LEU  24  -5.640   1.865  -3.056
  116   HD21  LEU  24          HD21      LEU  24  -3.836   0.956  -1.644
  117   HD22  LEU  24          HD22      LEU  24  -3.122   2.574  -1.441
  118   HD23  LEU  24          HD23      LEU  24  -2.157   1.240  -2.110
  119    H    ARG  25           HN       ARG  25  -2.005  -0.977  -5.806
  120    HA   ARG  25           HA       ARG  25   0.637  -0.076  -5.554
  121    HB2  ARG  25           HB2      ARG  25   1.323  -2.276  -6.269
  122    HB3  ARG  25           HB1      ARG  25  -0.204  -2.451  -5.473
  123    HG2  ARG  25           HG2      ARG  25  -1.402  -2.904  -7.356
  124    HG3  ARG  25           HG1      ARG  25  -0.272  -2.071  -8.409
  125    HD2  ARG  25           HD2      ARG  25  -0.176  -4.442  -8.822
  126    HD3  ARG  25           HD1      ARG  25   1.333  -3.908  -8.105
  127    HE   ARG  25           HE       ARG  25   0.948  -5.274  -6.335
  128   HH11  ARG  25          HH11      ARG  25  -2.194  -4.859  -7.938
  129   HH12  ARG  25          HH12      ARG  25  -2.847  -6.318  -7.404
  130   HH21  ARG  25          HH21      ARG  25   0.129  -7.212  -5.615
  131   HH22  ARG  25          HH22      ARG  25  -1.494  -7.721  -5.963
  132    H    VAL  26           HN       VAL  26  -1.416   0.175  -8.349
  133    HA   VAL  26           HA       VAL  26   0.724   0.238 -10.271
  134    HB   VAL  26           HB       VAL  26  -2.197   0.948 -10.656
  135   HG11  VAL  26          HG11      VAL  26  -1.768   0.562 -13.042
  136   HG12  VAL  26          HG12      VAL  26  -0.059   0.303 -12.686
  137   HG13  VAL  26          HG13      VAL  26  -0.789   1.884 -12.402
  138   HG21  VAL  26          HG21      VAL  26  -0.763  -1.664 -11.160
  139   HG22  VAL  26          HG22      VAL  26  -2.432  -1.310 -11.603
  140   HG23  VAL  26          HG23      VAL  26  -1.964  -1.357  -9.905
  141    H    TYR  27           HN       TYR  27  -1.717   2.656  -9.262
  142    HA   TYR  27           HA       TYR  27  -0.211   4.716 -10.609
  143    HB2  TYR  27           HB2      TYR  27  -1.985   6.274  -9.720
  144    HB3  TYR  27           HB1      TYR  27  -2.543   5.000 -10.789
  145    HD1  TYR  27           HD1      TYR  27  -2.025   5.362  -7.006
  146    HD2  TYR  27           HD2      TYR  27  -4.594   4.168 -10.229
  147    HE1  TYR  27           HE1      TYR  27  -3.700   4.752  -5.423
  148    HE2  TYR  27           HE2      TYR  27  -6.333   3.553  -8.601
  149    HH   TYR  27           HH       TYR  27  -6.714   3.083  -6.348
  150    H    LEU  28           HN       LEU  28  -0.260   3.462  -7.502
  151    HA   LEU  28           HA       LEU  28   0.309   5.802  -6.044
  152    HB2  LEU  28           HB2      LEU  28  -0.371   3.239  -5.561
  153    HB3  LEU  28           HB1      LEU  28   1.271   3.282  -4.873
  154    HG   LEU  28           HG       LEU  28  -1.319   4.577  -4.079
  155   HD11  LEU  28          HD11      LEU  28  -0.692   2.441  -3.173
  156   HD12  LEU  28          HD12      LEU  28  -0.758   3.695  -1.941
  157   HD13  LEU  28          HD13      LEU  28   0.803   3.133  -2.542
  158   HD21  LEU  28          HD21      LEU  28  -0.144   6.001  -2.520
  159   HD22  LEU  28          HD22      LEU  28   0.252   6.407  -4.186
  160   HD23  LEU  28          HD23      LEU  28   1.412   5.507  -3.199
  161    H    CYS  29           HN       CYS  29   2.263   3.724  -8.003
  162    HA   CYS  29           HA       CYS  29   4.706   3.724  -6.648
  163    HB2  CYS  29           HB2      CYS  29   5.704   2.982  -8.753
  164    HB3  CYS  29           HB1      CYS  29   4.213   2.123  -8.396
  165    HG   CYS  29           HG       CYS  29   2.741   3.100 -10.393
  166    H    GLU  30           HN       GLU  30   3.299   6.344  -8.400
  167    HA   GLU  30           HA       GLU  30   5.604   7.739  -9.270
  168    HB2  GLU  30           HB2      GLU  30   3.173   8.991  -8.022
  169    HB3  GLU  30           HB1      GLU  30   4.333   9.761  -9.066
  170    HG2  GLU  30           HG2      GLU  30   3.489   8.440 -10.934
  171    HG3  GLU  30           HG1      GLU  30   2.298   7.696  -9.846
  172    H    LYS  31           HN       LYS  31   3.749   7.766  -6.298
  173    HA   LYS  31           HA       LYS  31   5.620   9.693  -5.152
  174    HB2  LYS  31           HB2      LYS  31   2.949   8.781  -4.085
  175    HB3  LYS  31           HB1      LYS  31   3.905  10.137  -3.471
  176    HG2  LYS  31           HG2      LYS  31   2.311   9.826  -5.992
  177    HG3  LYS  31           HG1      LYS  31   2.102  10.994  -4.697
  178    HD2  LYS  31           HD2      LYS  31   4.329  11.872  -5.323
  179    HD3  LYS  31           HD1      LYS  31   4.251  10.897  -6.789
  180    HE2  LYS  31           HE2      LYS  31   2.547  13.255  -6.008
  181    HE3  LYS  31           HE1      LYS  31   3.382  12.957  -7.529
  182    HZ1  LYS  31           HZ1      LYS  31   1.641  11.124  -7.946
  183    HZ2  LYS  31           HZ2      LYS  31   1.049  12.673  -7.875
  184    HZ3  LYS  31           HZ3      LYS  31   0.907  11.702  -6.515
  185    H    ILE  32           HN       ILE  32   4.427   6.418  -4.731
  186    HA   ILE  32           HA       ILE  32   6.215   6.276  -2.464
  187    HB   ILE  32           HB       ILE  32   3.997   5.455  -1.840
  188   HG12  ILE  32          HG12      ILE  32   5.998   3.189  -2.081
  189   HG13  ILE  32          HG11      ILE  32   5.904   4.376  -0.783
  190   HG21  ILE  32          HG21      ILE  32   2.973   3.483  -2.829
  191   HG22  ILE  32          HG22      ILE  32   4.286   3.384  -3.999
  192   HG23  ILE  32          HG23      ILE  32   3.178   4.754  -4.041
  193   HD11  ILE  32          HD11      ILE  32   4.952   2.222  -0.166
  194   HD12  ILE  32          HD12      ILE  32   3.784   2.381  -1.486
  195   HD13  ILE  32          HD13      ILE  32   3.742   3.510  -0.128
  196    H    ILE  33           HN       ILE  33   8.100   6.029  -3.243
  197    HA   ILE  33           HA       ILE  33   8.470   3.814  -5.108
  198    HB   ILE  33           HB       ILE  33  10.521   5.846  -4.127
  199   HG12  ILE  33          HG12      ILE  33   8.951   5.878  -6.724
  200   HG13  ILE  33          HG11      ILE  33   8.693   6.966  -5.369
  201   HG21  ILE  33          HG21      ILE  33  11.841   5.083  -6.046
  202   HG22  ILE  33          HG22      ILE  33  10.555   3.960  -6.492
  203   HG23  ILE  33          HG23      ILE  33  11.434   3.736  -4.980
  204   HD11  ILE  33          HD11      ILE  33   9.954   8.054  -7.129
  205   HD12  ILE  33          HD12      ILE  33  11.180   6.789  -7.059
  206   HD13  ILE  33          HD13      ILE  33  10.953   7.872  -5.686
  207    H    ALA  34           HN       ALA  34   9.055   1.977  -4.188
  208    HA   ALA  34           HA       ALA  34   9.475   1.843  -1.353
  209    HB1  ALA  34           HB1      ALA  34   9.772  -0.336  -3.309
  210    HB2  ALA  34           HB2      ALA  34   8.193   0.265  -2.722
  211    HB3  ALA  34           HB3      ALA  34   9.372  -0.432  -1.578
  212    H    GLU  35           HN       GLU  35  11.374   2.246  -3.958
  213    HA   GLU  35           HA       GLU  35  13.536   0.690  -3.263
  214    HB2  GLU  35           HB2      GLU  35  13.046   1.524  -5.464
  215    HB3  GLU  35           HB1      GLU  35  13.352   3.167  -4.938
  216    HG2  GLU  35           HG2      GLU  35  15.685   2.627  -4.414
  217    HG3  GLU  35           HG1      GLU  35  15.436   1.007  -5.063
  218    H    ARG  36           HN       ARG  36  12.305   3.648  -2.275
  219    HA   ARG  36           HA       ARG  36  14.517   4.874  -1.016
  220    HB2  ARG  36           HB2      ARG  36  11.559   5.411  -0.819
  221    HB3  ARG  36           HB1      ARG  36  12.768   6.342   0.053
  222    HG2  ARG  36           HG2      ARG  36  13.814   6.873  -2.169
  223    HG3  ARG  36           HG1      ARG  36  12.404   6.133  -2.925
  224    HD2  ARG  36           HD2      ARG  36  12.257   8.409  -0.951
  225    HD3  ARG  36           HD1      ARG  36  12.319   8.637  -2.690
  226    HE   ARG  36           HE       ARG  36  10.173   7.770  -2.878
  227   HH11  ARG  36          HH11      ARG  36  11.170   7.616   0.524
  228   HH12  ARG  36          HH12      ARG  36   9.702   7.890   1.210
  229   HH21  ARG  36          HH21      ARG  36   7.933   8.188  -1.978
  230   HH22  ARG  36          HH22      ARG  36   7.748   8.221  -0.303
  231    H    HIS  37           HN       HIS  37  13.135   2.139  -0.282
  232    HA   HIS  37           HA       HIS  37  11.721   1.957   1.984
  233    HB2  HIS  37           HB2      HIS  37  12.558  -0.313   2.329
  234    HB3  HIS  37           HB1      HIS  37  12.033   0.007   0.667
  235    HD1  HIS  37           HD1      HIS  37  14.126  -2.232   2.043
  236    HD2  HIS  37           HD2      HIS  37  15.022   0.980  -0.468
  237    HE1  HIS  37           HE1      HIS  37  16.285  -2.798   0.971
  238    HE2  HIS  37           HE2      HIS  37  16.745  -0.966  -0.651
  239    H    PHE  38           HN       PHE  38  14.899   3.064   2.345
  240    HA   PHE  38           HA       PHE  38  15.039   1.869   4.965
  241    HB2  PHE  38           HB2      PHE  38  16.950   3.779   3.611
  242    HB3  PHE  38           HB1      PHE  38  17.184   3.105   5.220
  243    HD1  PHE  38           HD2      PHE  38  16.547   0.306   5.030
  244    HD2  PHE  38           HD1      PHE  38  18.423   2.821   2.121
  245    HE1  PHE  38           HE2      PHE  38  17.640  -1.643   4.050
  246    HE2  PHE  38           HE1      PHE  38  19.503   0.846   1.131
  247    HZ   PHE  38           HZ       PHE  38  19.120  -1.385   2.097
  248    H    ASP  39           HN       ASP  39  13.694   4.639   3.502
  249    HA   ASP  39           HA       ASP  39  13.725   6.185   5.950
  250    HB2  ASP  39           HB2      ASP  39  12.662   7.975   4.745
  251    HB3  ASP  39           HB1      ASP  39  13.761   7.260   3.586
  252    H    HIS  40           HN       HIS  40  11.169   4.813   3.951
  253    HA   HIS  40           HA       HIS  40   9.325   5.094   6.159
  254    HB2  HIS  40           HB2      HIS  40   9.020   4.831   3.273
  255    HB3  HIS  40           HB1      HIS  40   7.782   4.022   4.229
  256    HD1  HIS  40           HD1      HIS  40   9.326   7.487   3.802
  257    HD2  HIS  40           HD2      HIS  40   5.905   5.637   5.291
  258    HE1  HIS  40           HE1      HIS  40   7.742   9.342   4.388
  259    HE2  HIS  40           HE2      HIS  40   5.647   8.177   5.248
  260    H    LEU  41           HN       LEU  41  11.113   2.495   4.864
  261    HA   LEU  41           HA       LEU  41   9.127   0.782   6.051
  262    HB2  LEU  41           HB2      LEU  41  11.480  -0.061   4.435
  263    HB3  LEU  41           HB1      LEU  41  10.193  -1.106   5.025
  264    HG   LEU  41           HG       LEU  41   9.930   1.113   3.005
  265   HD11  LEU  41          HD11      LEU  41  10.860  -0.986   2.276
  266   HD12  LEU  41          HD12      LEU  41   9.289  -0.624   1.552
  267   HD13  LEU  41          HD13      LEU  41   9.422  -1.771   2.929
  268   HD21  LEU  41          HD21      LEU  41   7.949   1.145   4.439
  269   HD22  LEU  41          HD22      LEU  41   7.758  -0.595   4.221
  270   HD23  LEU  41          HD23      LEU  41   7.564   0.491   2.848
  271    H    ARG  42           HN       ARG  42  12.099   2.055   6.861
  272    HA   ARG  42           HA       ARG  42  12.636   0.229   9.045
  273    HB2  ARG  42           HB2      ARG  42  14.374   1.756   8.070
  274    HB3  ARG  42           HB1      ARG  42  13.433   3.136   8.595
  275    HG2  ARG  42           HG2      ARG  42  15.307   2.783  10.083
  276    HG3  ARG  42           HG1      ARG  42  13.795   2.469  10.935
  277    HD2  ARG  42           HD2      ARG  42  14.121   0.062  10.617
  278    HD3  ARG  42           HD1      ARG  42  15.628   0.379   9.756
  279    HE   ARG  42           HE       ARG  42  15.786   1.644  12.195
  280   HH11  ARG  42          HH11      ARG  42  15.560  -1.686  11.026
  281   HH12  ARG  42          HH12      ARG  42  16.396  -2.392  12.324
  282   HH21  ARG  42          HH21      ARG  42  16.972   0.687  14.036
  283   HH22  ARG  42          HH22      ARG  42  17.230  -0.987  14.100
  284    H    ALA  43           HN       ALA  43  10.473   2.654   8.314
  285    HA   ALA  43           HA       ALA  43   9.608   3.500  10.885
  286    HB1  ALA  43           HB1      ALA  43   9.153   4.816   8.906
  287    HB2  ALA  43           HB2      ALA  43   7.581   4.173   9.500
  288    HB3  ALA  43           HB3      ALA  43   8.413   3.406   8.166
  289    H    LYS  44           HN       LYS  44   8.407   1.200   8.433
  290    HA   LYS  44           HA       LYS  44   6.233   0.467  10.220
  291    HB2  LYS  44           HB2      LYS  44   6.900  -0.437   7.437
  292    HB3  LYS  44           HB1      LYS  44   5.429  -0.823   8.308
  293    HG2  LYS  44           HG2      LYS  44   6.288   1.967   7.555
  294    HG3  LYS  44           HG1      LYS  44   5.177   0.973   6.615
  295    HD2  LYS  44           HD2      LYS  44   3.732   0.829   8.657
  296    HD3  LYS  44           HD1      LYS  44   4.797   1.992   9.418
  297    HE2  LYS  44           HE2      LYS  44   4.240   3.699   7.897
  298    HE3  LYS  44           HE1      LYS  44   3.485   2.564   6.780
  299    HZ1  LYS  44           HZ1      LYS  44   2.378   3.198   9.491
  300    HZ2  LYS  44           HZ2      LYS  44   1.660   2.280   8.257
  301    HZ3  LYS  44           HZ3      LYS  44   1.865   3.873   8.052
  302    H    LYS  45           HN       LYS  45   9.274  -0.873   9.029
  303    HA   LYS  45           HA       LYS  45  10.299  -2.908   9.252
  304    HB2  LYS  45           HB2      LYS  45   9.165  -2.618  12.031
  305    HB3  LYS  45           HB1      LYS  45  10.565  -3.575  11.576
  306    HG2  LYS  45           HG2      LYS  45  11.881  -1.624  11.127
  307    HG3  LYS  45           HG1      LYS  45  10.442  -0.647  11.058
  308    HD2  LYS  45           HD2      LYS  45  11.026  -2.040  13.618
  309    HD3  LYS  45           HD1      LYS  45  11.916  -0.570  13.214
  310    HE2  LYS  45           HE2      LYS  45   9.899  -0.089  14.583
  311    HE3  LYS  45           HE1      LYS  45   9.836   0.684  13.007
  312    HZ1  LYS  45           HZ1      LYS  45   8.353  -1.802  13.779
  313    HZ2  LYS  45           HZ2      LYS  45   8.306  -1.063  12.267
  314    HZ3  LYS  45           HZ3      LYS  45   7.702  -0.248  13.593
  315    H    ILE  46           HN       ILE  46   8.496  -3.744   7.824
  316    HA   ILE  46           HA       ILE  46   6.318  -5.109   9.126
  317    HB   ILE  46           HB       ILE  46   6.850  -5.396   6.169
  318   HG12  ILE  46          HG12      ILE  46   5.195  -3.397   5.925
  319   HG13  ILE  46          HG11      ILE  46   5.726  -2.959   7.540
  320   HG21  ILE  46          HG21      ILE  46   4.426  -5.536   6.022
  321   HG22  ILE  46          HG22      ILE  46   4.316  -5.319   7.767
  322   HG23  ILE  46          HG23      ILE  46   5.108  -6.750   7.107
  323   HD11  ILE  46          HD11      ILE  46   7.984  -2.615   6.767
  324   HD12  ILE  46          HD12      ILE  46   6.861  -1.751   5.707
  325   HD13  ILE  46          HD13      ILE  46   7.599  -3.265   5.182
  326    H    LEU  47           HN       LEU  47   9.287  -5.895   7.464
  327    HA   LEU  47           HA       LEU  47   8.623  -8.745   7.529
  328    HB2  LEU  47           HB2      LEU  47  10.739  -7.445   5.820
  329    HB3  LEU  47           HB1      LEU  47  10.077  -9.047   5.667
  330    HG   LEU  47           HG       LEU  47   9.319  -7.868   3.828
  331   HD11  LEU  47          HD11      LEU  47   7.540  -9.167   4.720
  332   HD12  LEU  47          HD12      LEU  47   6.907  -7.689   3.995
  333   HD13  LEU  47          HD13      LEU  47   7.026  -7.828   5.751
  334   HD21  LEU  47          HD21      LEU  47   8.143  -5.656   3.999
  335   HD22  LEU  47          HD22      LEU  47   9.866  -5.663   4.344
  336   HD23  LEU  47          HD23      LEU  47   8.719  -5.574   5.673
  337    H    SER  48           HN       SER  48  11.084  -9.789   7.247
  338    HA   SER  48           HA       SER  48  12.274  -9.228   9.798
  339    HB2  SER  48           HB2      SER  48  13.240 -11.156   7.678
  340    HB3  SER  48           HB1      SER  48  13.534 -11.220   9.416
  341    HG   SER  48           HG       SER  48  11.284 -11.812   7.931
  342    H    ARG  49           HN       ARG  49  14.919  -9.612   9.382
  343    HA   ARG  49           HA       ARG  49  15.833  -7.007   8.686
  344    HB2  ARG  49           HB2      ARG  49  17.531  -9.415   8.811
  345    HB3  ARG  49           HB1      ARG  49  17.986  -7.769   9.151
  346    HG2  ARG  49           HG2      ARG  49  16.863  -7.788  11.238
  347    HG3  ARG  49           HG1      ARG  49  16.073  -9.327  10.865
  348    HD2  ARG  49           HD2      ARG  49  19.028  -8.882  11.165
  349    HD3  ARG  49           HD1      ARG  49  17.989  -9.685  12.358
  350    HE   ARG  49           HE       ARG  49  18.111 -10.802   9.639
  351   HH11  ARG  49          HH11      ARG  49  19.208 -11.157  12.980
  352   HH12  ARG  49          HH12      ARG  49  19.642 -12.794  12.779
  353   HH21  ARG  49          HH21      ARG  49  18.615 -12.845   9.364
  354   HH22  ARG  49          HH22      ARG  49  19.298 -13.860  10.570
  355    H    GLU  50           HN       GLU  50  15.792 -10.079   7.026
  356    HA   GLU  50           HA       GLU  50  17.568  -9.213   4.943
  357    HB2  GLU  50           HB2      GLU  50  16.086 -11.773   5.509
  358    HB3  GLU  50           HB1      GLU  50  16.955 -11.529   4.004
  359    HG2  GLU  50           HG2      GLU  50  18.243 -12.816   5.683
  360    HG3  GLU  50           HG1      GLU  50  19.053 -11.339   5.179
  361    H    ASP  51           HN       ASP  51  14.229 -10.325   5.103
  362    HA   ASP  51           HA       ASP  51  13.649  -9.699   2.502
  363    HB2  ASP  51           HB2      ASP  51  11.176 -10.014   3.489
  364    HB3  ASP  51           HB1      ASP  51  12.253 -11.350   3.125
  365    H    THR  52           HN       THR  52  13.691  -7.505   5.124
  366    HA   THR  52           HA       THR  52  12.111  -5.619   3.539
  367    HB   THR  52           HB       THR  52  13.763  -4.867   6.008
  368    HG1  THR  52           HG1      THR  52  12.390  -6.466   6.758
  369   HG21  THR  52          HG21      THR  52  12.769  -2.986   4.636
  370   HG22  THR  52          HG22      THR  52  12.169  -3.063   6.279
  371   HG23  THR  52          HG23      THR  52  11.150  -3.637   4.984
  372    H    ARG  53           HN       ARG  53  15.360  -6.638   3.838
  373    HA   ARG  53           HA       ARG  53  16.523  -4.264   2.675
  374    HB2  ARG  53           HB2      ARG  53  17.800  -6.812   3.610
  375    HB3  ARG  53           HB1      ARG  53  18.693  -5.597   2.708
  376    HG2  ARG  53           HG2      ARG  53  18.122  -3.942   4.464
  377    HG3  ARG  53           HG1      ARG  53  17.345  -5.237   5.376
  378    HD2  ARG  53           HD2      ARG  53  20.249  -5.194   4.542
  379    HD3  ARG  53           HD1      ARG  53  19.659  -4.747   6.136
  380    HE   ARG  53           HE       ARG  53  18.697  -7.184   5.976
  381   HH11  ARG  53          HH11      ARG  53  21.897  -6.073   4.936
  382   HH12  ARG  53          HH12      ARG  53  22.726  -7.490   5.394
  383   HH21  ARG  53          HH21      ARG  53  19.879  -9.204   6.676
  384   HH22  ARG  53          HH22      ARG  53  21.522  -9.307   6.397
  385    H    GLU  54           HN       GLU  54  15.914  -7.569   1.553
  386    HA   GLU  54           HA       GLU  54  17.544  -7.511  -0.689
  387    HB2  GLU  54           HB2      GLU  54  16.174  -9.482  -1.519
  388    HB3  GLU  54           HB1      GLU  54  16.925  -9.632   0.056
  389    HG2  GLU  54           HG2      GLU  54  14.793 -10.569   0.327
  390    HG3  GLU  54           HG1      GLU  54  14.675  -8.946   1.005
  391    H    ILE  55           HN       ILE  55  14.452  -6.230  -0.464
  392    HA   ILE  55           HA       ILE  55  13.718  -5.852  -3.045
  393    HB   ILE  55           HB       ILE  55  12.035  -5.257  -1.747
  394   HG12  ILE  55          HG12      ILE  55  13.233  -2.500  -2.059
  395   HG13  ILE  55          HG11      ILE  55  12.184  -3.326  -3.204
  396   HG21  ILE  55          HG21      ILE  55  12.120  -4.011   0.346
  397   HG22  ILE  55          HG22      ILE  55  13.894  -4.026   0.225
  398   HG23  ILE  55          HG23      ILE  55  12.963  -5.541   0.273
  399   HD11  ILE  55          HD11      ILE  55  10.369  -3.249  -1.607
  400   HD12  ILE  55          HD12      ILE  55  11.007  -1.634  -1.948
  401   HD13  ILE  55          HD13      ILE  55  11.424  -2.449  -0.439
  402    H    SER  56           HN       SER  56  16.453  -4.488  -1.739
  403    HA   SER  56           HA       SER  56  16.958  -2.201  -3.245
  404    HB2  SER  56           HB2      SER  56  18.942  -4.300  -2.343
  405    HB3  SER  56           HB1      SER  56  19.319  -2.621  -2.758
  406    HG   SER  56           HG       SER  56  18.104  -3.677  -0.506
  407    H    CYS  57           HN       CYS  57  16.247  -5.015  -4.513
  408    HA   CYS  57           HA       CYS  57  17.325  -6.009  -6.631
  409    HB2  CYS  57           HB2      CYS  57  14.498  -5.038  -6.514
  410    HB3  CYS  57           HB1      CYS  57  15.119  -6.231  -7.644
  411    HG   CYS  57           HG       CYS  57  15.823  -7.093  -4.484
  412    H    ARG  58           HN       ARG  58  17.406  -2.736  -6.726
  413    HA   ARG  58           HA       ARG  58  15.908  -1.234  -8.159
  414    HB2  ARG  58           HB2      ARG  58  18.837  -1.062  -8.698
  415    HB3  ARG  58           HB1      ARG  58  17.660   0.229  -8.827
  416    HG2  ARG  58           HG2      ARG  58  17.225  -0.087  -6.366
  417    HG3  ARG  58           HG1      ARG  58  18.644  -1.140  -6.344
  418    HD2  ARG  58           HD2      ARG  58  19.397   1.026  -5.717
  419    HD3  ARG  58           HD1      ARG  58  19.929   0.769  -7.383
  420    HE   ARG  58           HE       ARG  58  17.383   1.970  -7.275
  421   HH11  ARG  58          HH11      ARG  58  20.812   2.755  -7.230
  422   HH12  ARG  58          HH12      ARG  58  20.599   4.447  -7.377
  423   HH21  ARG  58          HH21      ARG  58  17.036   4.212  -7.357
  424   HH22  ARG  58          HH22      ARG  58  18.310   5.343  -7.472
  425    H    THR  59           HN       THR  59  16.619  -3.802  -9.981
  426    HA   THR  59           HA       THR  59  16.852  -3.120 -12.627
  427    HB   THR  59           HB       THR  59  16.546  -5.426 -11.750
  428    HG1  THR  59           HG1      THR  59  15.558  -6.159 -13.545
  429   HG21  THR  59          HG21      THR  59  14.297  -6.272 -11.204
  430   HG22  THR  59          HG22      THR  59  13.630  -4.661 -11.472
  431   HG23  THR  59          HG23      THR  59  14.733  -4.933 -10.134
  432    H    SER  60           HN       SER  60  14.591  -3.463 -14.096
  433    HA   SER  60           HA       SER  60  13.600  -0.999 -14.636
  434    HB2  SER  60           HB2      SER  60  12.005  -3.552 -14.871
  435    HB3  SER  60           HB1      SER  60  11.739  -2.069 -15.790
  436    HG   SER  60           HG       SER  60  14.276  -2.666 -16.092
  437    H    SER  61           HN       SER  61  12.238   0.435 -13.878
  438    HA   SER  61           HA       SER  61  11.768   0.686 -11.254
  439    HB2  SER  61           HB2      SER  61  10.311   2.091 -13.454
  440    HB3  SER  61           HB1      SER  61  10.627   2.691 -11.821
  441    HG   SER  61           HG       SER  61  12.956   2.232 -12.444
  442    H    ARG  62           HN       ARG  62   9.495  -0.711 -13.492
  443    HA   ARG  62           HA       ARG  62   7.082  -0.209 -12.157
  444    HB2  ARG  62           HB2      ARG  62   7.764  -2.573 -13.914
  445    HB3  ARG  62           HB1      ARG  62   6.141  -2.136 -13.407
  446    HG2  ARG  62           HG2      ARG  62   6.381   0.018 -14.587
  447    HG3  ARG  62           HG1      ARG  62   7.976  -0.489 -15.138
  448    HD2  ARG  62           HD2      ARG  62   5.383  -1.920 -15.745
  449    HD3  ARG  62           HD1      ARG  62   6.230  -0.841 -16.849
  450    HE   ARG  62           HE       ARG  62   8.085  -2.715 -16.206
  451   HH11  ARG  62          HH11      ARG  62   4.803  -2.915 -17.533
  452   HH12  ARG  62          HH12      ARG  62   5.075  -4.311 -18.456
  453   HH21  ARG  62          HH21      ARG  62   8.500  -4.691 -17.511
  454   HH22  ARG  62          HH22      ARG  62   7.247  -5.345 -18.435
  455    H    LYS  63           HN       LYS  63   8.717  -3.400 -12.139
  456    HA   LYS  63           HA       LYS  63   7.099  -4.164  -9.913
  457    HB2  LYS  63           HB2      LYS  63   7.769  -5.782 -11.697
  458    HB3  LYS  63           HB1      LYS  63   9.425  -5.676 -11.127
  459    HG2  LYS  63           HG2      LYS  63   8.287  -7.697 -10.308
  460    HG3  LYS  63           HG1      LYS  63   8.792  -6.640  -8.986
  461    HD2  LYS  63           HD2      LYS  63   6.576  -5.799  -8.726
  462    HD3  LYS  63           HD1      LYS  63   5.978  -6.693 -10.141
  463    HE2  LYS  63           HE2      LYS  63   6.563  -8.720  -8.924
  464    HE3  LYS  63           HE1      LYS  63   6.998  -7.762  -7.510
  465    HZ1  LYS  63           HZ1      LYS  63   4.275  -7.855  -8.757
  466    HZ2  LYS  63           HZ2      LYS  63   4.667  -6.958  -7.399
  467    HZ3  LYS  63           HZ3      LYS  63   4.710  -8.607  -7.326
  468    H    ARG  64           HN       ARG  64  10.214  -2.912 -10.413
  469    HA   ARG  64           HA       ARG  64  11.599  -3.539  -8.130
  470    HB2  ARG  64           HB2      ARG  64  12.517  -2.453 -10.109
  471    HB3  ARG  64           HB1      ARG  64  11.546  -1.040  -9.816
  472    HG2  ARG  64           HG2      ARG  64  13.765  -1.936  -7.992
  473    HG3  ARG  64           HG1      ARG  64  14.011  -0.872  -9.363
  474    HD2  ARG  64           HD2      ARG  64  12.420  -0.327  -6.866
  475    HD3  ARG  64           HD1      ARG  64  13.812   0.562  -7.485
  476    HE   ARG  64           HE       ARG  64  11.098   0.586  -8.615
  477   HH11  ARG  64          HH11      ARG  64  14.290   2.133  -8.411
  478   HH12  ARG  64          HH12      ARG  64  13.808   3.610  -9.016
  479   HH21  ARG  64          HH21      ARG  64  10.368   2.687  -9.474
  480   HH22  ARG  64          HH22      ARG  64  11.498   3.943  -9.662
  481    H    ALA  65           HN       ALA  65   9.259  -0.875  -8.631
  482    HA   ALA  65           HA       ALA  65   9.658   0.063  -5.905
  483    HB1  ALA  65           HB1      ALA  65   7.749   1.014  -8.053
  484    HB2  ALA  65           HB2      ALA  65   9.320   1.716  -7.671
  485    HB3  ALA  65           HB3      ALA  65   8.005   1.800  -6.498
  486    H    GLY  66           HN       GLY  66   7.391  -1.825  -7.789
  487    HA2  GLY  66           HA2      GLY  66   5.250  -1.737  -5.882
  488    HA3  GLY  66           HA1      GLY  66   5.342  -2.749  -7.313
  489    H    LYS  67           HN       LYS  67   8.069  -3.617  -6.186
  490    HA   LYS  67           HA       LYS  67   7.357  -6.130  -5.307
  491    HB2  LYS  67           HB2      LYS  67   9.605  -5.452  -6.123
  492    HB3  LYS  67           HB1      LYS  67   9.904  -4.698  -4.564
  493    HG2  LYS  67           HG2      LYS  67   9.636  -6.877  -3.472
  494    HG3  LYS  67           HG1      LYS  67   9.387  -7.623  -5.051
  495    HD2  LYS  67           HD2      LYS  67  11.623  -6.824  -5.734
  496    HD3  LYS  67           HD1      LYS  67  11.860  -6.193  -4.104
  497    HE2  LYS  67           HE2      LYS  67  11.393  -9.081  -4.846
  498    HE3  LYS  67           HE1      LYS  67  12.929  -8.370  -4.362
  499    HZ1  LYS  67           HZ1      LYS  67  10.521  -8.624  -2.574
  500    HZ2  LYS  67           HZ2      LYS  67  12.035  -7.942  -2.170
  501    HZ3  LYS  67           HZ3      LYS  67  11.972  -9.482  -2.506
  502    H    LEU  68           HN       LEU  68   8.063  -3.306  -3.338
  503    HA   LEU  68           HA       LEU  68   7.888  -4.494  -0.785
  504    HB2  LEU  68           HB2      LEU  68   8.678  -2.465  -0.589
  505    HB3  LEU  68           HB1      LEU  68   7.703  -1.769  -1.889
  506    HG   LEU  68           HG       LEU  68   5.779  -1.979  -0.147
  507   HD11  LEU  68          HD11      LEU  68   6.525  -1.646   2.167
  508   HD12  LEU  68          HD12      LEU  68   8.065  -2.365   1.638
  509   HD13  LEU  68          HD13      LEU  68   6.549  -3.248   1.452
  510   HD21  LEU  68          HD21      LEU  68   7.945   0.093   0.193
  511   HD22  LEU  68          HD22      LEU  68   6.317   0.213   0.851
  512   HD23  LEU  68          HD23      LEU  68   6.559   0.176  -0.893
  513    H    LEU  69           HN       LEU  69   5.502  -2.981  -2.829
  514    HA   LEU  69           HA       LEU  69   3.461  -2.953  -0.929
  515    HB2  LEU  69           HB2      LEU  69   3.151  -3.026  -3.964
  516    HB3  LEU  69           HB1      LEU  69   2.016  -2.370  -2.823
  517    HG   LEU  69           HG       LEU  69   4.684  -1.152  -3.638
  518   HD11  LEU  69          HD11      LEU  69   2.967  -0.660  -5.173
  519   HD12  LEU  69          HD12      LEU  69   3.355   0.759  -4.163
  520   HD13  LEU  69          HD13      LEU  69   1.901  -0.162  -3.849
  521   HD21  LEU  69          HD21      LEU  69   4.316   0.571  -2.056
  522   HD22  LEU  69          HD22      LEU  69   4.368  -0.969  -1.194
  523   HD23  LEU  69          HD23      LEU  69   2.821  -0.174  -1.500
  524    H    ASP  70           HN       ASP  70   4.528  -5.240  -3.332
  525    HA   ASP  70           HA       ASP  70   2.369  -7.074  -2.947
  526    HB2  ASP  70           HB2      ASP  70   4.897  -7.286  -4.553
  527    HB3  ASP  70           HB1      ASP  70   3.747  -8.606  -4.418
  528    H    TYR  71           HN       TYR  71   5.391  -6.664  -1.332
  529    HA   TYR  71           HA       TYR  71   5.257  -9.446  -0.552
  530    HB2  TYR  71           HB2      TYR  71   7.460  -9.303   0.524
  531    HB3  TYR  71           HB1      TYR  71   7.541  -8.780  -1.143
  532    HD1  TYR  71           HD2      TYR  71   6.395  -6.339   1.456
  533    HD2  TYR  71           HD1      TYR  71   9.873  -7.774  -0.671
  534    HE1  TYR  71           HE2      TYR  71   7.728  -4.539   2.272
  535    HE2  TYR  71           HE1      TYR  71  11.087  -5.963   0.158
  536    HH   TYR  71           HH       TYR  71  10.082  -4.079   2.705
  537    H    LEU  72           HN       LEU  72   3.987  -6.740   0.572
  538    HA   LEU  72           HA       LEU  72   4.723  -6.416   3.161
  539    HB2  LEU  72           HB2      LEU  72   2.196  -5.763   1.810
  540    HB3  LEU  72           HB1      LEU  72   2.502  -5.302   3.482
  541    HG   LEU  72           HG       LEU  72   4.390  -4.623   1.265
  542   HD11  LEU  72          HD11      LEU  72   2.148  -2.954   2.383
  543   HD12  LEU  72          HD12      LEU  72   2.173  -3.662   0.766
  544   HD13  LEU  72          HD13      LEU  72   3.351  -2.423   1.209
  545   HD21  LEU  72          HD21      LEU  72   3.890  -3.540   3.989
  546   HD22  LEU  72          HD22      LEU  72   4.909  -2.840   2.723
  547   HD23  LEU  72          HD23      LEU  72   5.336  -4.423   3.408
  548    H    GLN  73           HN       GLN  73   1.318  -7.989   2.861
  549    HA   GLN  73           HA       GLN  73   2.220  -8.713   5.520
  550    HB2  GLN  73           HB2      GLN  73  -0.254  -9.414   5.929
  551    HB3  GLN  73           HB1      GLN  73   0.238  -7.732   5.929
  552    HG2  GLN  73           HG2      GLN  73  -0.742  -7.350   3.792
  553    HG3  GLN  73           HG1      GLN  73  -1.008  -9.104   3.516
  554   HE21  GLN  73          HE21      GLN  73  -2.663  -6.711   3.342
  555   HE22  GLN  73          HE22      GLN  73  -3.824  -7.007   4.533
  556    H    GLU  74           HN       GLU  74   0.009 -10.581   3.471
  557    HA   GLU  74           HA       GLU  74   1.973 -12.795   3.260
  558    HB2  GLU  74           HB2      GLU  74  -0.021 -13.304   4.831
  559    HB3  GLU  74           HB1      GLU  74  -1.045 -13.176   3.421
  560    HG2  GLU  74           HG2      GLU  74   1.134 -15.237   3.833
  561    HG3  GLU  74           HG1      GLU  74  -0.585 -15.504   4.059
  562    H    ASN  75           HN       ASN  75  -0.658 -11.059   2.284
  563    HA   ASN  75           HA       ASN  75  -1.197 -12.137  -0.329
  564    HB2  ASN  75           HB2      ASN  75  -2.812 -10.108   1.222
  565    HB3  ASN  75           HB1      ASN  75  -3.326 -11.056  -0.149
  566   HD21  ASN  75          HD21      ASN  75  -2.173 -13.656   1.212
  567   HD22  ASN  75          HD22      ASN  75  -3.352 -13.916   2.393
  568    HA   PRO  76           HA       PRO  76   1.667  -8.744  -1.834
  569    HB2  PRO  76           HB2      PRO  76  -0.144  -9.566  -4.068
  570    HB3  PRO  76           HB1      PRO  76   1.575  -9.117  -4.136
  571    HG2  PRO  76           HG2      PRO  76   0.878 -11.657  -4.059
  572    HG3  PRO  76           HG1      PRO  76   2.296 -11.061  -3.173
  573    HD2  PRO  76           HD2      PRO  76  -0.221 -12.093  -2.116
  574    HD3  PRO  76           HD1      PRO  76   1.320 -11.831  -1.281
  575    H    LYS  77           HN       LYS  77  -1.721  -8.433  -1.583
  576    HA   LYS  77           HA       LYS  77  -1.660  -5.647  -2.409
  577    HB2  LYS  77           HB2      LYS  77  -4.001  -7.403  -1.583
  578    HB3  LYS  77           HB1      LYS  77  -4.129  -5.745  -2.171
  579    HG2  LYS  77           HG2      LYS  77  -2.869  -6.620  -4.236
  580    HG3  LYS  77           HG1      LYS  77  -3.342  -8.209  -3.656
  581    HD2  LYS  77           HD2      LYS  77  -5.266  -5.967  -4.174
  582    HD3  LYS  77           HD1      LYS  77  -4.824  -7.161  -5.375
  583    HE2  LYS  77           HE2      LYS  77  -5.729  -8.913  -3.865
  584    HE3  LYS  77           HE1      LYS  77  -6.278  -7.630  -2.779
  585    HZ1  LYS  77           HZ1      LYS  77  -7.580  -6.701  -4.622
  586    HZ2  LYS  77           HZ2      LYS  77  -8.114  -8.218  -4.306
  587    HZ3  LYS  77           HZ3      LYS  77  -7.066  -7.931  -5.640
  588    H    GLY  78           HN       GLY  78  -0.105  -6.372  -0.333
  589    HA2  GLY  78           HA2      GLY  78  -1.376  -6.168   2.247
  590    HA3  GLY  78           HA1      GLY  78   0.334  -6.339   1.954
  591    H    LEU  79           HN       LEU  79  -0.755  -3.856   0.158
  592    HA   LEU  79           HA       LEU  79   0.806  -1.793   1.145
  593    HB2  LEU  79           HB2      LEU  79  -1.777  -1.509  -0.379
  594    HB3  LEU  79           HB1      LEU  79  -0.644  -0.210  -0.112
  595    HG   LEU  79           HG       LEU  79   1.051  -1.470  -1.384
  596   HD11  LEU  79          HD11      LEU  79   0.342  -3.678  -1.134
  597   HD12  LEU  79          HD12      LEU  79   0.195  -3.322  -2.885
  598   HD13  LEU  79          HD13      LEU  79  -1.235  -3.348  -1.816
  599   HD21  LEU  79          HD21      LEU  79  -0.213   0.252  -2.470
  600   HD22  LEU  79          HD22      LEU  79  -1.521  -0.892  -2.800
  601   HD23  LEU  79          HD23      LEU  79   0.046  -1.097  -3.583
  602    H    ASP  80           HN       ASP  80  -2.038  -2.823   2.335
  603    HA   ASP  80           HA       ASP  80  -3.527  -0.980   3.511
  604    HB2  ASP  80           HB2      ASP  80  -3.796  -3.409   3.523
  605    HB3  ASP  80           HB1      ASP  80  -2.535  -3.533   4.730
  606    H    THR  81           HN       THR  81  -0.519  -2.308   4.792
  607    HA   THR  81           HA       THR  81  -0.408  -1.090   7.310
  608    HB   THR  81           HB       THR  81   1.790  -2.071   5.488
  609    HG1  THR  81           HG1      THR  81  -0.176  -3.309   6.981
  610   HG21  THR  81          HG21      THR  81   1.741  -1.876   8.526
  611   HG22  THR  81          HG22      THR  81   2.660  -0.819   7.452
  612   HG23  THR  81          HG23      THR  81   3.059  -2.524   7.541
  613    H    LEU  82           HN       LEU  82   0.384   0.145   4.135
  614    HA   LEU  82           HA       LEU  82   2.301   2.134   5.100
  615    HB2  LEU  82           HB2      LEU  82   1.376   1.683   2.305
  616    HB3  LEU  82           HB1      LEU  82   2.852   2.472   2.824
  617    HG   LEU  82           HG       LEU  82   2.254  -0.507   2.750
  618   HD11  LEU  82          HD11      LEU  82   4.353   1.170   1.525
  619   HD12  LEU  82          HD12      LEU  82   2.969   0.413   0.728
  620   HD13  LEU  82          HD13      LEU  82   4.244  -0.582   1.439
  621   HD21  LEU  82          HD21      LEU  82   3.354  -0.045   4.903
  622   HD22  LEU  82          HD22      LEU  82   4.662   0.790   4.042
  623   HD23  LEU  82          HD23      LEU  82   4.377  -0.933   3.778
  624    H    VAL  83           HN       VAL  83  -0.986   1.980   4.417
  625    HA   VAL  83           HA       VAL  83  -1.495   4.015   2.666
  626    HB   VAL  83           HB       VAL  83  -3.038   2.253   3.205
  627   HG11  VAL  83          HG11      VAL  83  -4.594   2.443   5.113
  628   HG12  VAL  83          HG12      VAL  83  -3.635   3.794   5.720
  629   HG13  VAL  83          HG13      VAL  83  -2.916   2.187   5.600
  630   HG21  VAL  83          HG21      VAL  83  -3.861   4.148   1.954
  631   HG22  VAL  83          HG22      VAL  83  -4.229   5.017   3.444
  632   HG23  VAL  83          HG23      VAL  83  -5.132   3.560   3.027
  633    H    GLU  84           HN       GLU  84  -1.267   4.586   6.196
  634    HA   GLU  84           HA       GLU  84  -2.740   7.039   5.977
  635    HB2  GLU  84           HB2      GLU  84  -2.405   7.387   8.302
  636    HB3  GLU  84           HB1      GLU  84  -2.640   5.667   8.089
  637    HG2  GLU  84           HG2      GLU  84  -0.030   7.088   8.610
  638    HG3  GLU  84           HG1      GLU  84  -0.934   6.094   9.742
  639    H    SER  85           HN       SER  85   0.688   6.378   6.099
  640    HA   SER  85           HA       SER  85   1.454   9.076   6.275
  641    HB2  SER  85           HB2      SER  85   2.991   7.261   6.864
  642    HB3  SER  85           HB1      SER  85   3.030   6.733   5.182
  643    HG   SER  85           HG       SER  85   3.539   9.314   5.263
  644    H    ILE  86           HN       ILE  86   0.245   7.272   3.658
  645    HA   ILE  86           HA       ILE  86   1.482   8.723   1.544
  646    HB   ILE  86           HB       ILE  86  -1.099   7.126   1.525
  647   HG12  ILE  86          HG12      ILE  86   1.730   6.291   0.841
  648   HG13  ILE  86          HG11      ILE  86   0.830   5.791   2.266
  649   HG21  ILE  86          HG21      ILE  86  -0.872   8.653  -0.385
  650   HG22  ILE  86          HG22      ILE  86  -0.764   6.966  -0.865
  651   HG23  ILE  86          HG23      ILE  86   0.704   7.945  -0.757
  652   HD11  ILE  86          HD11      ILE  86  -0.787   4.648   0.825
  653   HD12  ILE  86          HD12      ILE  86   0.856   4.047   0.570
  654   HD13  ILE  86          HD13      ILE  86   0.130   5.170  -0.585
  655    H    ARG  87           HN       ARG  87  -1.156   9.281   3.655
  656    HA   ARG  87           HA       ARG  87  -2.623  11.161   2.089
  657    HB2  ARG  87           HB2      ARG  87  -3.597   9.900   4.032
  658    HB3  ARG  87           HB1      ARG  87  -2.506  10.753   5.077
  659    HG2  ARG  87           HG2      ARG  87  -3.633  12.755   4.950
  660    HG3  ARG  87           HG1      ARG  87  -4.409  12.344   3.423
  661    HD2  ARG  87           HD2      ARG  87  -4.998  10.890   5.988
  662    HD3  ARG  87           HD1      ARG  87  -5.888  12.327   5.481
  663    HE   ARG  87           HE       ARG  87  -5.878  10.547   3.351
  664   HH11  ARG  87          HH11      ARG  87  -7.198  10.471   6.678
  665   HH12  ARG  87          HH12      ARG  87  -8.609   9.640   6.181
  666   HH21  ARG  87          HH21      ARG  87  -7.971   9.404   2.762
  667   HH22  ARG  87          HH22      ARG  87  -9.005   9.116   4.077
  668    H    ARG  88           HN       ARG  88   0.402  11.360   3.389
  669    HA   ARG  88           HA       ARG  88   0.396  14.175   3.962
  670    HB2  ARG  88           HB2      ARG  88   1.850  12.649   5.245
  671    HB3  ARG  88           HB1      ARG  88   2.692  12.200   3.782
  672    HG2  ARG  88           HG2      ARG  88   3.987  13.728   5.239
  673    HG3  ARG  88           HG1      ARG  88   3.710  14.387   3.633
  674    HD2  ARG  88           HD2      ARG  88   1.891  15.110   5.926
  675    HD3  ARG  88           HD1      ARG  88   3.432  15.938   5.711
  676    HE   ARG  88           HE       ARG  88   2.176  15.978   3.269
  677   HH11  ARG  88          HH11      ARG  88   1.371  17.249   6.464
  678   HH12  ARG  88          HH12      ARG  88   0.590  18.649   5.893
  679   HH21  ARG  88          HH21      ARG  88   1.153  17.917   2.437
  680   HH22  ARG  88          HH22      ARG  88   0.461  19.038   3.494
  681    H    GLU  89           HN       GLU  89   0.415  12.371   1.093
  682    HA   GLU  89           HA       GLU  89   2.127  13.915  -0.534
  683    HB2  GLU  89           HB2      GLU  89   1.149  11.815  -1.398
  684    HB3  GLU  89           HB1      GLU  89  -0.466  12.503  -1.325
  685    HG2  GLU  89           HG2      GLU  89   0.555  14.339  -2.898
  686    HG3  GLU  89           HG1      GLU  89   1.763  13.108  -3.231
  687    H    LYS  90           HN       LYS  90  -0.787  14.652   1.022
  688    HA   LYS  90           HA       LYS  90  -2.418  16.017  -0.654
  689    HB2  LYS  90           HB2      LYS  90  -2.955  15.270   1.657
  690    HB3  LYS  90           HB1      LYS  90  -2.198  16.736   2.261
  691    HG2  LYS  90           HG2      LYS  90  -3.833  18.100   1.115
  692    HG3  LYS  90           HG1      LYS  90  -4.532  16.677   0.358
  693    HD2  LYS  90           HD2      LYS  90  -5.186  15.841   2.572
  694    HD3  LYS  90           HD1      LYS  90  -4.505  17.295   3.309
  695    HE2  LYS  90           HE2      LYS  90  -6.943  17.480   3.021
  696    HE3  LYS  90           HE1      LYS  90  -6.074  18.689   2.079
  697    HZ1  LYS  90           HZ1      LYS  90  -7.881  17.663   0.809
  698    HZ2  LYS  90           HZ2      LYS  90  -7.159  16.141   0.960
  699    HZ3  LYS  90           HZ3      LYS  90  -6.393  17.358   0.097
  700    H    THR  91           HN       THR  91   0.526  17.309  -0.169
  701    HA   THR  91           HA       THR  91  -0.082  20.078  -0.516
  702    HB   THR  91           HB       THR  91   2.323  18.510  -1.526
  703    HG1  THR  91           HG1      THR  91   3.191  19.116   0.612
  704   HG21  THR  91          HG21      THR  91   2.176  20.886  -2.201
  705   HG22  THR  91          HG22      THR  91   3.528  20.615  -1.100
  706   HG23  THR  91          HG23      THR  91   2.041  21.350  -0.505
  707    H    GLN  92           HN       GLN  92   0.007  17.138  -2.304
  708    HA   GLN  92           HA       GLN  92  -1.263  18.302  -4.648
  709    HB2  GLN  92           HB2      GLN  92   0.652  15.938  -4.467
  710    HB3  GLN  92           HB1      GLN  92  -0.300  16.327  -5.888
  711    HG2  GLN  92           HG2      GLN  92   1.783  18.138  -4.684
  712    HG3  GLN  92           HG1      GLN  92   2.063  17.043  -6.036
  713   HE21  GLN  92          HE21      GLN  92   0.464  19.986  -5.004
  714   HE22  GLN  92          HE22      GLN  92   0.140  20.547  -6.607
  715    H    ASN  93           HN       ASN  93  -3.255  17.438  -4.781
  716    HA   ASN  93           HA       ASN  93  -4.051  15.636  -2.663
  717    HB2  ASN  93           HB2      ASN  93  -5.735  17.154  -4.651
  718    HB3  ASN  93           HB1      ASN  93  -6.408  16.054  -3.457
  719   HD21  ASN  93          HD21      ASN  93  -4.936  19.151  -3.990
  720   HD22  ASN  93          HD22      ASN  93  -5.175  19.765  -2.403
  721    H    PHE  94           HN       PHE  94  -2.903  14.943  -5.565
  722    HA   PHE  94           HA       PHE  94  -4.598  13.474  -7.091
  723    HB2  PHE  94           HB2      PHE  94  -2.308  13.972  -7.735
  724    HB3  PHE  94           HB1      PHE  94  -1.703  12.825  -6.550
  725    HD1  PHE  94           HD2      PHE  94  -3.756  13.085  -9.628
  726    HD2  PHE  94           HD1      PHE  94  -1.390  10.573  -7.142
  727    HE1  PHE  94           HE2      PHE  94  -3.849  11.313 -11.333
  728    HE2  PHE  94           HE1      PHE  94  -1.479   8.797  -8.840
  729    HZ   PHE  94           HZ       PHE  94  -2.710   9.166 -10.940
  730    H    LEU  95           HN       LEU  95  -2.597  11.860  -4.575
  731    HA   LEU  95           HA       LEU  95  -3.911   9.319  -5.002
  732    HB2  LEU  95           HB2      LEU  95  -2.092  10.273  -2.835
  733    HB3  LEU  95           HB1      LEU  95  -2.547   8.606  -3.107
  734    HG   LEU  95           HG       LEU  95  -0.888  10.285  -5.000
  735   HD11  LEU  95          HD11      LEU  95   0.931   8.859  -4.245
  736   HD12  LEU  95          HD12      LEU  95  -0.138   8.160  -3.029
  737   HD13  LEU  95          HD13      LEU  95   0.295   9.875  -2.948
  738   HD21  LEU  95          HD21      LEU  95  -0.310   8.132  -5.969
  739   HD22  LEU  95          HD22      LEU  95  -2.023   8.524  -6.212
  740   HD23  LEU  95          HD23      LEU  95  -1.536   7.339  -4.983
  741    H    ILE  96           HN       ILE  96  -4.146  11.984  -2.892
  742    HA   ILE  96           HA       ILE  96  -4.904  10.887  -0.479
  743    HB   ILE  96           HB       ILE  96  -6.010  13.527  -1.430
  744   HG12  ILE  96          HG12      ILE  96  -3.604  13.372  -1.992
  745   HG13  ILE  96          HG11      ILE  96  -3.905  14.550  -0.709
  746   HG21  ILE  96          HG21      ILE  96  -5.764  14.129   0.943
  747   HG22  ILE  96          HG22      ILE  96  -5.085  12.537   1.274
  748   HG23  ILE  96          HG23      ILE  96  -6.777  12.687   0.779
  749   HD11  ILE  96          HD11      ILE  96  -2.774  11.778  -0.456
  750   HD12  ILE  96          HD12      ILE  96  -3.178  12.847   0.901
  751   HD13  ILE  96          HD13      ILE  96  -1.946  13.334  -0.267
  752    H    GLN  97           HN       GLN  97  -7.253  12.290  -2.783
  753    HA   GLN  97           HA       GLN  97  -9.308  10.922  -1.301
  754    HB2  GLN  97           HB2      GLN  97 -10.986  11.944  -2.773
  755    HB3  GLN  97           HB1      GLN  97  -9.899  13.152  -2.120
  756    HG2  GLN  97           HG2      GLN  97  -9.659  11.994  -4.890
  757    HG3  GLN  97           HG1      GLN  97 -10.548  13.468  -4.514
  758   HE21  GLN  97          HE21      GLN  97  -8.178  13.002  -6.189
  759   HE22  GLN  97          HE22      GLN  97  -6.953  14.022  -5.519
  760    H    LYS  98           HN       LYS  98  -7.373  10.192  -3.970
  761    HA   LYS  98           HA       LYS  98  -9.221   8.494  -5.307
  762    HB2  LYS  98           HB2      LYS  98  -7.289   9.403  -6.516
  763    HB3  LYS  98           HB1      LYS  98  -6.195   8.524  -5.456
  764    HG2  LYS  98           HG2      LYS  98  -6.355   7.325  -7.517
  765    HG3  LYS  98           HG1      LYS  98  -7.197   6.403  -6.273
  766    HD2  LYS  98           HD2      LYS  98  -9.326   7.620  -7.127
  767    HD3  LYS  98           HD1      LYS  98  -8.351   7.988  -8.551
  768    HE2  LYS  98           HE2      LYS  98  -9.574   5.980  -8.993
  769    HE3  LYS  98           HE1      LYS  98  -7.882   5.536  -8.748
  770    HZ1  LYS  98           HZ1      LYS  98 -10.112   5.262  -6.810
  771    HZ2  LYS  98           HZ2      LYS  98  -8.506   5.046  -6.387
  772    HZ3  LYS  98           HZ3      LYS  98  -9.199   3.996  -7.459
  773    H    ILE  99           HN       ILE  99  -6.662   7.928  -2.939
  774    HA   ILE  99           HA       ILE  99  -7.001   5.110  -2.825
  775    HB   ILE  99           HB       ILE  99  -5.870   7.021  -0.758
  776   HG12  ILE  99          HG12      ILE  99  -4.506   5.344  -2.891
  777   HG13  ILE  99          HG11      ILE  99  -4.663   7.086  -2.865
  778   HG21  ILE  99          HG21      ILE  99  -4.753   5.049   0.217
  779   HG22  ILE  99          HG22      ILE  99  -5.653   4.003  -0.883
  780   HG23  ILE  99          HG23      ILE  99  -6.507   4.950   0.331
  781   HD11  ILE  99          HD11      ILE  99  -2.443   6.369  -2.231
  782   HD12  ILE  99          HD12      ILE  99  -3.115   5.454  -0.878
  783   HD13  ILE  99          HD13      ILE  99  -3.248   7.212  -0.909
  784    H    THR 100           HN       THR 100  -8.340   7.808  -1.049
  785    HA   THR 100           HA       THR 100  -9.869   6.432   0.832
  786    HB   THR 100           HB       THR 100 -10.499   9.043  -0.579
  787    HG1  THR 100           HG1      THR 100  -8.609   9.479   0.370
  788   HG21  THR 100          HG21      THR 100 -12.434   8.195   0.677
  789   HG22  THR 100          HG22      THR 100 -11.747   9.593   1.504
  790   HG23  THR 100          HG23      THR 100 -11.419   7.965   2.104
  791    H    ASP 101           HN       ASP 101 -10.694   7.625  -2.418
  792    HA   ASP 101           HA       ASP 101 -13.243   6.672  -2.714
  793    HB2  ASP 101           HB2      ASP 101 -12.709   8.019  -4.479
  794    HB3  ASP 101           HB1      ASP 101 -11.053   7.439  -4.554
  795    H    GLU 102           HN       GLU 102 -10.215   4.937  -3.311
  796    HA   GLU 102           HA       GLU 102 -11.308   2.731  -4.614
  797    HB2  GLU 102           HB2      GLU 102  -8.759   3.413  -3.910
  798    HB3  GLU 102           HB1      GLU 102  -9.088   2.075  -2.827
  799    HG2  GLU 102           HG2      GLU 102  -8.091   1.250  -4.841
  800    HG3  GLU 102           HG1      GLU 102  -9.769   0.695  -4.755
  801    H    VAL 103           HN       VAL 103 -10.688   3.157  -1.177
  802    HA   VAL 103           HA       VAL 103 -11.806   0.554  -0.609
  803    HB   VAL 103           HB       VAL 103 -11.074   2.611   1.456
  804   HG11  VAL 103          HG11      VAL 103 -11.124  -0.392   1.421
  805   HG12  VAL 103          HG12      VAL 103 -12.179   0.685   2.342
  806   HG13  VAL 103          HG13      VAL 103 -10.464   0.558   2.740
  807   HG21  VAL 103          HG21      VAL 103  -9.228   2.403  -0.198
  808   HG22  VAL 103          HG22      VAL 103  -9.121   0.679   0.180
  809   HG23  VAL 103          HG23      VAL 103  -8.797   1.896   1.422
  810    H    LEU 104           HN       LEU 104 -12.909   3.760  -0.775
  811    HA   LEU 104           HA       LEU 104 -15.026   3.850   1.003
  812    HB2  LEU 104           HB2      LEU 104 -14.124   5.753  -0.233
  813    HB3  LEU 104           HB1      LEU 104 -14.664   5.070  -1.738
  814    HG   LEU 104           HG       LEU 104 -16.992   5.550  -1.136
  815   HD11  LEU 104          HD11      LEU 104 -15.807   6.739   1.372
  816   HD12  LEU 104          HD12      LEU 104 -16.814   5.292   1.290
  817   HD13  LEU 104          HD13      LEU 104 -17.490   6.862   0.859
  818   HD21  LEU 104          HD21      LEU 104 -16.803   7.997  -1.188
  819   HD22  LEU 104          HD22      LEU 104 -15.691   7.215  -2.313
  820   HD23  LEU 104          HD23      LEU 104 -15.088   7.851  -0.780
  821    H    LYS 105           HN       LYS 105 -14.880   2.579  -2.353
  822    HA   LYS 105           HA       LYS 105 -17.639   1.853  -2.492
  823    HB2  LYS 105           HB2      LYS 105 -15.318   0.859  -4.031
  824    HB3  LYS 105           HB1      LYS 105 -16.926   0.237  -4.354
  825    HG2  LYS 105           HG2      LYS 105 -16.822   1.844  -5.996
  826    HG3  LYS 105           HG1      LYS 105 -17.421   2.847  -4.681
  827    HD2  LYS 105           HD2      LYS 105 -15.653   4.039  -5.753
  828    HD3  LYS 105           HD1      LYS 105 -15.035   3.468  -4.204
  829    HE2  LYS 105           HE2      LYS 105 -13.921   1.579  -5.355
  830    HE3  LYS 105           HE1      LYS 105 -14.542   2.165  -6.896
  831    HZ1  LYS 105           HZ1      LYS 105 -12.189   2.899  -6.489
  832    HZ2  LYS 105           HZ2      LYS 105 -12.749   3.637  -5.089
  833    HZ3  LYS 105           HZ3      LYS 105 -13.233   4.248  -6.514
  834    H    LEU 106           HN       LEU 106 -14.910   0.394  -1.095
  835    HA   LEU 106           HA       LEU 106 -15.831  -2.297  -1.053
  836    HB2  LEU 106           HB2      LEU 106 -13.565  -0.830   0.173
  837    HB3  LEU 106           HB1      LEU 106 -14.043  -2.359   0.865
  838    HG   LEU 106           HG       LEU 106 -13.551  -3.498  -1.217
  839   HD11  LEU 106          HD11      LEU 106 -12.469  -2.339  -3.082
  840   HD12  LEU 106          HD12      LEU 106 -12.748  -0.792  -2.275
  841   HD13  LEU 106          HD13      LEU 106 -14.115  -1.760  -2.824
  842   HD21  LEU 106          HD21      LEU 106 -11.147  -3.171  -1.248
  843   HD22  LEU 106          HD22      LEU 106 -11.797  -3.250   0.388
  844   HD23  LEU 106          HD23      LEU 106 -11.346  -1.695  -0.305
  845    H    ARG 107           HN       ARG 107 -16.771   0.400   0.747
  846    HA   ARG 107           HA       ARG 107 -17.235  -0.810   3.250
  847    HB2  ARG 107           HB2      ARG 107 -17.492   1.676   2.696
  848    HB3  ARG 107           HB1      ARG 107 -19.086   1.259   2.068
  849    HG2  ARG 107           HG2      ARG 107 -19.602   0.233   4.290
  850    HG3  ARG 107           HG1      ARG 107 -18.093   0.913   4.884
  851    HD2  ARG 107           HD2      ARG 107 -19.023   3.168   4.072
  852    HD3  ARG 107           HD1      ARG 107 -20.567   2.330   3.961
  853    HE   ARG 107           HE       ARG 107 -19.112   2.167   6.494
  854   HH11  ARG 107          HH11      ARG 107 -21.864   3.549   4.772
  855   HH12  ARG 107          HH12      ARG 107 -22.646   4.069   6.201
  856   HH21  ARG 107          HH21      ARG 107 -20.046   2.819   8.291
  857   HH22  ARG 107          HH22      ARG 107 -21.555   3.633   8.374
  858    H    ASN 108           HN       ASN 108 -18.863  -1.059   0.214
  859    HA   ASN 108           HA       ASN 108 -21.329  -2.107   1.154
  860    HB2  ASN 108           HB2      ASN 108 -21.079  -1.197  -1.128
  861    HB3  ASN 108           HB1      ASN 108 -19.978  -2.511  -1.530
  862   HD21  ASN 108          HD21      ASN 108 -23.291  -1.637  -0.890
  863   HD22  ASN 108          HD22      ASN 108 -23.972  -3.110  -1.486
  864    H    ILE 109           HN       ILE 109 -18.217  -3.471   0.446
  865    HA   ILE 109           HA       ILE 109 -18.934  -6.219   0.518
  866    HB   ILE 109           HB       ILE 109 -16.266  -4.891   1.113
  867   HG12  ILE 109          HG12      ILE 109 -17.056  -4.302  -1.124
  868   HG13  ILE 109          HG11      ILE 109 -15.672  -5.382  -1.228
  869   HG21  ILE 109          HG21      ILE 109 -15.245  -7.041   0.542
  870   HG22  ILE 109          HG22      ILE 109 -16.852  -7.755   0.379
  871   HG23  ILE 109          HG23      ILE 109 -16.303  -7.165   1.950
  872   HD11  ILE 109          HD11      ILE 109 -17.353  -5.941  -2.886
  873   HD12  ILE 109          HD12      ILE 109 -18.566  -6.144  -1.627
  874   HD13  ILE 109          HD13      ILE 109 -17.193  -7.250  -1.715
  875    H    LYS 110           HN       LYS 110 -18.041  -3.817   2.880
  876    HA   LYS 110           HA       LYS 110 -17.845  -5.578   5.097
  877    HB2  LYS 110           HB2      LYS 110 -16.901  -3.300   5.182
  878    HB3  LYS 110           HB1      LYS 110 -18.523  -2.626   5.079
  879    HG2  LYS 110           HG2      LYS 110 -19.089  -3.728   7.208
  880    HG3  LYS 110           HG1      LYS 110 -17.435  -4.319   7.319
  881    HD2  LYS 110           HD2      LYS 110 -16.634  -1.989   7.332
  882    HD3  LYS 110           HD1      LYS 110 -18.309  -1.433   7.288
  883    HE2  LYS 110           HE2      LYS 110 -18.756  -2.553   9.406
  884    HE3  LYS 110           HE1      LYS 110 -17.108  -3.170   9.442
  885    HZ1  LYS 110           HZ1      LYS 110 -16.398  -0.782   9.402
  886    HZ2  LYS 110           HZ2      LYS 110 -17.170  -1.262  10.827
  887    HZ3  LYS 110           HZ3      LYS 110 -17.978  -0.329   9.726
  888    H    LEU 111           HN       LEU 111 -20.462  -3.677   3.706
  889    HA   LEU 111           HA       LEU 111 -22.479  -4.214   5.631
  890    HB2  LEU 111           HB2      LEU 111 -22.827  -3.774   2.664
  891    HB3  LEU 111           HB1      LEU 111 -24.065  -3.603   3.884
  892    HG   LEU 111           HG       LEU 111 -21.634  -1.839   3.593
  893   HD11  LEU 111          HD11      LEU 111 -23.208  -0.143   2.851
  894   HD12  LEU 111          HD12      LEU 111 -24.535  -1.290   3.006
  895   HD13  LEU 111          HD13      LEU 111 -23.288  -1.556   1.792
  896   HD21  LEU 111          HD21      LEU 111 -22.725  -0.428   5.275
  897   HD22  LEU 111          HD22      LEU 111 -22.353  -2.023   5.926
  898   HD23  LEU 111          HD23      LEU 111 -24.006  -1.628   5.454
  899    H    GLU 112           HN       GLU 112 -21.453  -5.958   2.754
  900    HA   GLU 112           HA       GLU 112 -23.481  -7.931   2.916
  901    HB2  GLU 112           HB2      GLU 112 -21.882  -7.303   0.927
  902    HB3  GLU 112           HB1      GLU 112 -20.754  -8.397   1.696
  903    HG2  GLU 112           HG2      GLU 112 -23.514  -9.203   0.743
  904    HG3  GLU 112           HG1      GLU 112 -22.059  -9.363  -0.217
  905    H    HIS 113           HN       HIS 113 -20.136  -7.749   4.102
  906    HA   HIS 113           HA       HIS 113 -20.778 -10.140   5.344
  907    HB2  HIS 113           HB2      HIS 113 -18.107  -9.473   4.501
  908    HB3  HIS 113           HB1      HIS 113 -18.249 -10.495   5.947
  909    HD1  HIS 113           HD1      HIS 113 -20.507 -12.245   5.538
  910    HD2  HIS 113           HD2      HIS 113 -18.156 -11.073   2.318
  911    HE1  HIS 113           HE1      HIS 113 -20.996 -13.888   3.725
  912    HE2  HIS 113           HE2      HIS 113 -20.144 -12.532   1.810
  913    H    LEU 114           HN       LEU 114 -20.834  -7.334   6.722
  914    HA   LEU 114           HA       LEU 114 -20.421  -8.363   9.357
  915    HB2  LEU 114           HB2      LEU 114 -21.776  -6.388  10.110
  916    HB3  LEU 114           HB1      LEU 114 -20.413  -5.970   9.104
  917    HG   LEU 114           HG       LEU 114 -22.049  -5.745   7.175
  918   HD11  LEU 114          HD11      LEU 114 -24.156  -5.690   9.328
  919   HD12  LEU 114          HD12      LEU 114 -23.928  -7.012   8.196
  920   HD13  LEU 114          HD13      LEU 114 -24.361  -5.399   7.591
  921   HD21  LEU 114          HD21      LEU 114 -22.329  -3.896   9.533
  922   HD22  LEU 114          HD22      LEU 114 -22.789  -3.512   7.875
  923   HD23  LEU 114          HD23      LEU 114 -21.099  -3.819   8.270
  924    H    LYS 115           HN       LYS 115 -22.535  -9.102   7.026
  925    HA   LYS 115           HA       LYS 115 -24.662  -9.875   8.771
  926    HB2  LYS 115           HB2      LYS 115 -25.287  -8.448   6.896
  927    HB3  LYS 115           HB1      LYS 115 -24.536  -9.520   5.753
  928    HG2  LYS 115           HG2      LYS 115 -26.982 -10.192   7.412
  929    HG3  LYS 115           HG1      LYS 115 -27.039  -9.555   5.782
  930    HD2  LYS 115           HD2      LYS 115 -25.804 -12.216   6.566
  931    HD3  LYS 115           HD1      LYS 115 -27.431 -12.020   5.936
  932    HE2  LYS 115           HE2      LYS 115 -26.050 -12.758   4.119
  933    HE3  LYS 115           HE1      LYS 115 -26.398 -11.058   3.843
  934    HZ1  LYS 115           HZ1      LYS 115 -24.179 -10.486   4.511
  935    HZ2  LYS 115           HZ2      LYS 115 -23.970 -11.691   3.446
  936    HZ3  LYS 115           HZ3      LYS 115 -23.881 -11.969   5.130
  Start of MODEL    9
    1    H    GLU  10           HT1      GLU  10 -13.252   7.167   6.213
    2    HA   GLU  10           HA       GLU  10 -14.909   5.833   4.189
    3    HB2  GLU  10           HB2      GLU  10 -12.998   4.304   3.842
    4    HB3  GLU  10           HB1      GLU  10 -12.692   5.953   3.328
    5    HG2  GLU  10           HG2      GLU  10 -11.478   6.397   5.234
    6    HG3  GLU  10           HG1      GLU  10 -11.824   4.825   5.956
    7    H    GLU  11           HN       GLU  11 -14.494   6.171   7.302
    8    HA   GLU  11           HA       GLU  11 -13.599   4.186   8.760
    9    HB2  GLU  11           HB2      GLU  11 -16.147   5.718   9.326
   10    HB3  GLU  11           HB1      GLU  11 -15.120   4.952  10.519
   11    HG2  GLU  11           HG2      GLU  11 -14.822   7.405  10.496
   12    HG3  GLU  11           HG1      GLU  11 -13.330   6.581  10.054
   13    H    ASP  12           HN       ASP  12 -17.117   4.318   8.029
   14    HA   ASP  12           HA       ASP  12 -17.781   1.777   9.020
   15    HB2  ASP  12           HB2      ASP  12 -19.616   3.182   8.657
   16    HB3  ASP  12           HB1      ASP  12 -19.105   3.624   7.038
   17    H    LEU  13           HN       LEU  13 -16.775   2.748   5.864
   18    HA   LEU  13           HA       LEU  13 -17.514   0.316   4.527
   19    HB2  LEU  13           HB2      LEU  13 -15.881   2.649   3.347
   20    HB3  LEU  13           HB1      LEU  13 -16.664   1.345   2.528
   21    HG   LEU  13           HG       LEU  13 -18.883   2.240   3.186
   22   HD11  LEU  13          HD11      LEU  13 -17.331   4.609   4.227
   23   HD12  LEU  13          HD12      LEU  13 -18.290   3.482   5.189
   24   HD13  LEU  13          HD13      LEU  13 -19.082   4.530   4.014
   25   HD21  LEU  13          HD21      LEU  13 -17.894   2.804   1.038
   26   HD22  LEU  13          HD22      LEU  13 -17.124   4.211   1.787
   27   HD23  LEU  13          HD23      LEU  13 -18.878   4.119   1.678
   28    H    THR  14           HN       THR  14 -14.732   1.387   6.095
   29    HA   THR  14           HA       THR  14 -12.699   0.482   4.715
   30    HB   THR  14           HB       THR  14 -12.439   0.129   7.653
   31    HG1  THR  14           HG1      THR  14 -13.496   2.018   7.703
   32   HG21  THR  14          HG21      THR  14 -10.561  -0.185   6.237
   33   HG22  THR  14          HG22      THR  14 -10.341   1.427   6.985
   34   HG23  THR  14          HG23      THR  14 -10.962   1.233   5.319
   35    H    GLU  15           HN       GLU  15 -14.710  -1.914   6.259
   36    HA   GLU  15           HA       GLU  15 -13.063  -4.150   6.565
   37    HB2  GLU  15           HB2      GLU  15 -15.716  -4.069   5.124
   38    HB3  GLU  15           HB1      GLU  15 -14.952  -5.517   5.748
   39    HG2  GLU  15           HG2      GLU  15 -15.224  -4.745   8.001
   40    HG3  GLU  15           HG1      GLU  15 -15.848  -3.194   7.427
   41    H    VAL  16           HN       VAL  16 -14.086  -2.606   3.721
   42    HA   VAL  16           HA       VAL  16 -13.320  -4.387   1.737
   43    HB   VAL  16           HB       VAL  16 -13.562  -2.494   0.206
   44   HG11  VAL  16          HG11      VAL  16 -15.769  -3.054   2.243
   45   HG12  VAL  16          HG12      VAL  16 -15.470  -3.986   0.767
   46   HG13  VAL  16          HG13      VAL  16 -16.027  -2.338   0.656
   47   HG21  VAL  16          HG21      VAL  16 -12.832  -1.045   2.083
   48   HG22  VAL  16          HG22      VAL  16 -14.501  -1.110   2.642
   49   HG23  VAL  16          HG23      VAL  16 -14.125  -0.385   1.047
   50    H    LYS  17           HN       LYS  17 -11.428  -2.242   3.541
   51    HA   LYS  17           HA       LYS  17  -9.650  -1.006   1.934
   52    HB2  LYS  17           HB2      LYS  17  -9.810  -1.113   4.509
   53    HB3  LYS  17           HB1      LYS  17  -8.617  -2.393   4.372
   54    HG2  LYS  17           HG2      LYS  17  -7.474  -0.334   4.840
   55    HG3  LYS  17           HG1      LYS  17  -7.126  -0.786   3.167
   56    HD2  LYS  17           HD2      LYS  17  -8.751   0.790   2.338
   57    HD3  LYS  17           HD1      LYS  17  -9.304   1.144   3.972
   58    HE2  LYS  17           HE2      LYS  17  -7.059   2.085   4.465
   59    HE3  LYS  17           HE1      LYS  17  -6.605   1.794   2.785
   60    HZ1  LYS  17           HZ1      LYS  17  -8.871   3.491   3.669
   61    HZ2  LYS  17           HZ2      LYS  17  -8.410   3.340   2.099
   62    HZ3  LYS  17           HZ3      LYS  17  -7.416   4.136   3.213
   63    H    LYS  18           HN       LYS  18  -9.454  -4.495   2.707
   64    HA   LYS  18           HA       LYS  18  -6.940  -4.608   1.286
   65    HB2  LYS  18           HB2      LYS  18  -8.163  -6.379   3.178
   66    HB3  LYS  18           HB1      LYS  18  -7.635  -7.260   1.741
   67    HG2  LYS  18           HG2      LYS  18  -5.426  -6.165   1.925
   68    HG3  LYS  18           HG1      LYS  18  -5.957  -5.420   3.427
   69    HD2  LYS  18           HD2      LYS  18  -6.174  -7.574   4.468
   70    HD3  LYS  18           HD1      LYS  18  -5.827  -8.387   2.937
   71    HE2  LYS  18           HE2      LYS  18  -3.626  -7.432   2.874
   72    HE3  LYS  18           HE1      LYS  18  -3.927  -6.528   4.367
   73    HZ1  LYS  18           HZ1      LYS  18  -4.210  -8.736   5.482
   74    HZ2  LYS  18           HZ2      LYS  18  -2.678  -8.487   4.862
   75    HZ3  LYS  18           HZ3      LYS  18  -3.745  -9.475   4.033
   76    H    ASP  19           HN       ASP  19 -10.213  -5.131   0.492
   77    HA   ASP  19           HA       ASP  19  -9.749  -6.637  -1.885
   78    HB2  ASP  19           HB2      ASP  19 -12.025  -4.707  -1.278
   79    HB3  ASP  19           HB1      ASP  19 -12.039  -6.001  -2.464
   80    H    ALA  20           HN       ALA  20 -10.156  -3.289  -1.002
   81    HA   ALA  20           HA       ALA  20  -9.771  -2.074  -3.568
   82    HB1  ALA  20           HB1      ALA  20 -10.818  -0.806  -1.770
   83    HB2  ALA  20           HB2      ALA  20  -9.293  -0.008  -2.231
   84    HB3  ALA  20           HB3      ALA  20  -9.363  -0.984  -0.789
   85    H    LEU  21           HN       LEU  21  -7.690  -3.244  -1.117
   86    HA   LEU  21           HA       LEU  21  -5.376  -1.747  -1.544
   87    HB2  LEU  21           HB2      LEU  21  -6.065  -3.317   0.320
   88    HB3  LEU  21           HB1      LEU  21  -5.376  -4.625  -0.632
   89    HG   LEU  21           HG       LEU  21  -3.837  -4.024   1.068
   90   HD11  LEU  21          HD11      LEU  21  -2.856  -2.750  -1.458
   91   HD12  LEU  21          HD12      LEU  21  -2.726  -4.450  -1.002
   92   HD13  LEU  21          HD13      LEU  21  -1.858  -3.223  -0.083
   93   HD21  LEU  21          HD21      LEU  21  -4.174  -1.150   0.235
   94   HD22  LEU  21          HD22      LEU  21  -3.037  -1.739   1.452
   95   HD23  LEU  21          HD23      LEU  21  -4.769  -1.908   1.709
   96    H    GLU  22           HN       GLU  22  -6.661  -4.606  -3.194
   97    HA   GLU  22           HA       GLU  22  -4.280  -5.347  -4.476
   98    HB2  GLU  22           HB2      GLU  22  -6.324  -6.783  -4.359
   99    HB3  GLU  22           HB1      GLU  22  -7.092  -5.726  -5.536
  100    HG2  GLU  22           HG2      GLU  22  -6.220  -7.737  -6.599
  101    HG3  GLU  22           HG1      GLU  22  -5.390  -6.296  -7.186
  102    H    ASN  23           HN       ASN  23  -6.950  -3.298  -5.653
  103    HA   ASN  23           HA       ASN  23  -5.793  -2.547  -8.124
  104    HB2  ASN  23           HB2      ASN  23  -7.579  -0.816  -6.380
  105    HB3  ASN  23           HB1      ASN  23  -7.271  -0.589  -8.091
  106   HD21  ASN  23          HD21      ASN  23  -9.753  -0.853  -6.743
  107   HD22  ASN  23          HD22      ASN  23 -10.541  -2.250  -7.401
  108    H    LEU  24           HN       LEU  24  -5.566  -1.327  -4.929
  109    HA   LEU  24           HA       LEU  24  -4.170   1.055  -5.384
  110    HB2  LEU  24           HB2      LEU  24  -5.479   0.572  -3.425
  111    HB3  LEU  24           HB1      LEU  24  -4.385  -0.718  -2.996
  112    HG   LEU  24           HG       LEU  24  -3.189   1.966  -3.202
  113   HD11  LEU  24          HD11      LEU  24  -5.187   2.559  -2.286
  114   HD12  LEU  24          HD12      LEU  24  -4.083   2.442  -0.896
  115   HD13  LEU  24          HD13      LEU  24  -5.285   1.154  -1.228
  116   HD21  LEU  24          HD21      LEU  24  -1.902   0.025  -2.490
  117   HD22  LEU  24          HD22      LEU  24  -3.055  -0.288  -1.197
  118   HD23  LEU  24          HD23      LEU  24  -2.067   1.174  -1.160
  119    H    ARG  25           HN       ARG  25  -2.980  -2.100  -4.324
  120    HA   ARG  25           HA       ARG  25  -0.225  -1.597  -4.228
  121    HB2  ARG  25           HB2      ARG  25  -0.951  -3.575  -3.242
  122    HB3  ARG  25           HB1      ARG  25  -2.005  -3.995  -4.588
  123    HG2  ARG  25           HG2      ARG  25   0.125  -4.551  -5.858
  124    HG3  ARG  25           HG1      ARG  25   0.976  -4.360  -4.315
  125    HD2  ARG  25           HD2      ARG  25  -0.407  -6.044  -3.284
  126    HD3  ARG  25           HD1      ARG  25  -1.401  -6.168  -4.725
  127    HE   ARG  25           HE       ARG  25   1.443  -6.907  -4.823
  128   HH11  ARG  25          HH11      ARG  25  -1.968  -7.763  -5.381
  129   HH12  ARG  25          HH12      ARG  25  -1.704  -9.342  -5.758
  130   HH21  ARG  25          HH21      ARG  25   1.884  -9.089  -5.405
  131   HH22  ARG  25          HH22      ARG  25   0.615 -10.174  -5.806
  132    H    VAL  26           HN       VAL  26  -2.336  -2.131  -6.937
  133    HA   VAL  26           HA       VAL  26  -0.170  -2.313  -8.824
  134    HB   VAL  26           HB       VAL  26  -3.146  -1.996  -9.325
  135   HG11  VAL  26          HG11      VAL  26  -1.839  -1.212 -11.232
  136   HG12  VAL  26          HG12      VAL  26  -2.656  -2.727 -11.616
  137   HG13  VAL  26          HG13      VAL  26  -0.932  -2.726 -11.248
  138   HG21  VAL  26          HG21      VAL  26  -2.618  -4.092  -8.199
  139   HG22  VAL  26          HG22      VAL  26  -1.395  -4.454  -9.418
  140   HG23  VAL  26          HG23      VAL  26  -3.098  -4.389  -9.871
  141    H    TYR  27           HN       TYR  27  -2.807   0.134  -8.306
  142    HA   TYR  27           HA       TYR  27  -1.642   1.891 -10.208
  143    HB2  TYR  27           HB2      TYR  27  -3.267   3.618  -9.579
  144    HB3  TYR  27           HB1      TYR  27  -4.046   2.071  -9.803
  145    HD1  TYR  27           HD1      TYR  27  -2.386   3.575  -6.708
  146    HD2  TYR  27           HD2      TYR  27  -5.984   2.140  -8.510
  147    HE1  TYR  27           HE1      TYR  27  -3.508   3.894  -4.633
  148    HE2  TYR  27           HE2      TYR  27  -7.153   2.494  -6.371
  149    HH   TYR  27           HH       TYR  27  -6.669   2.685  -4.052
  150    H    LEU  28           HN       LEU  28  -1.005   1.493  -6.888
  151    HA   LEU  28           HA       LEU  28   0.048   4.098  -6.600
  152    HB2  LEU  28           HB2      LEU  28  -0.372   1.828  -4.885
  153    HB3  LEU  28           HB1      LEU  28   1.031   2.818  -4.357
  154    HG   LEU  28           HG       LEU  28  -1.902   3.047  -4.377
  155   HD11  LEU  28          HD11      LEU  28   0.195   3.898  -2.414
  156   HD12  LEU  28          HD12      LEU  28  -0.755   2.415  -2.372
  157   HD13  LEU  28          HD13      LEU  28  -1.549   3.976  -2.156
  158   HD21  LEU  28          HD21      LEU  28  -1.802   5.480  -3.999
  159   HD22  LEU  28          HD22      LEU  28  -1.405   5.014  -5.643
  160   HD23  LEU  28          HD23      LEU  28  -0.116   5.453  -4.514
  161    H    CYS  29           HN       CYS  29   1.291   1.351  -8.025
  162    HA   CYS  29           HA       CYS  29   3.997   1.520  -7.390
  163    HB2  CYS  29           HB2      CYS  29   3.088  -0.338  -8.677
  164    HB3  CYS  29           HB1      CYS  29   2.646   0.744  -9.989
  165    HG   CYS  29           HG       CYS  29   4.964   1.162 -10.956
  166    H    GLU  30           HN       GLU  30   2.093   3.326  -9.766
  167    HA   GLU  30           HA       GLU  30   4.426   4.845 -10.599
  168    HB2  GLU  30           HB2      GLU  30   1.576   5.223 -11.521
  169    HB3  GLU  30           HB1      GLU  30   3.035   5.787 -12.313
  170    HG2  GLU  30           HG2      GLU  30   2.034   2.956 -12.094
  171    HG3  GLU  30           HG1      GLU  30   2.198   3.932 -13.546
  172    H    LYS  31           HN       LYS  31   2.481   5.047  -8.017
  173    HA   LYS  31           HA       LYS  31   2.345   8.007  -8.077
  174    HB2  LYS  31           HB2      LYS  31   0.590   6.025  -6.682
  175    HB3  LYS  31           HB1      LYS  31   0.666   7.694  -6.165
  176    HG2  LYS  31           HG2      LYS  31  -0.138   8.425  -8.337
  177    HG3  LYS  31           HG1      LYS  31  -0.148   6.752  -8.908
  178    HD2  LYS  31           HD2      LYS  31  -1.858   6.144  -7.368
  179    HD3  LYS  31           HD1      LYS  31  -1.714   7.673  -6.501
  180    HE2  LYS  31           HE2      LYS  31  -2.618   7.407  -9.365
  181    HE3  LYS  31           HE1      LYS  31  -3.710   7.509  -7.983
  182    HZ1  LYS  31           HZ1      LYS  31  -2.829   9.674  -7.458
  183    HZ2  LYS  31           HZ2      LYS  31  -3.365   9.674  -9.059
  184    HZ3  LYS  31           HZ3      LYS  31  -1.709   9.577  -8.717
  185    H    ILE  32           HN       ILE  32   3.373   5.251  -6.180
  186    HA   ILE  32           HA       ILE  32   4.770   7.148  -4.494
  187    HB   ILE  32           HB       ILE  32   3.073   6.342  -3.018
  188   HG12  ILE  32          HG12      ILE  32   5.644   4.817  -2.513
  189   HG13  ILE  32          HG11      ILE  32   5.210   6.410  -1.901
  190   HG21  ILE  32          HG21      ILE  32   2.262   4.459  -4.275
  191   HG22  ILE  32          HG22      ILE  32   2.562   4.007  -2.592
  192   HG23  ILE  32          HG23      ILE  32   3.700   3.526  -3.844
  193   HD11  ILE  32          HD11      ILE  32   3.880   3.811  -1.189
  194   HD12  ILE  32          HD12      ILE  32   3.466   5.393  -0.519
  195   HD13  ILE  32          HD13      ILE  32   5.046   4.673  -0.180
  196    H    ILE  33           HN       ILE  33   6.641   6.990  -5.491
  197    HA   ILE  33           HA       ILE  33   7.834   4.403  -5.903
  198    HB   ILE  33           HB       ILE  33   9.249   7.095  -5.623
  199   HG12  ILE  33          HG12      ILE  33   7.610   7.226  -7.453
  200   HG13  ILE  33          HG11      ILE  33   9.249   7.239  -8.083
  201   HG21  ILE  33          HG21      ILE  33  10.200   4.539  -6.891
  202   HG22  ILE  33          HG22      ILE  33  10.738   5.219  -5.356
  203   HG23  ILE  33          HG23      ILE  33  11.078   6.071  -6.864
  204   HD11  ILE  33          HD11      ILE  33   7.793   5.879  -9.463
  205   HD12  ILE  33          HD12      ILE  33   7.358   4.889  -8.073
  206   HD13  ILE  33          HD13      ILE  33   9.011   4.867  -8.689
  207    H    ALA  34           HN       ALA  34   8.575   3.215  -4.259
  208    HA   ALA  34           HA       ALA  34   8.598   4.224  -1.573
  209    HB1  ALA  34           HB1      ALA  34   9.488   1.598  -2.724
  210    HB2  ALA  34           HB2      ALA  34   7.941   1.965  -1.931
  211    HB3  ALA  34           HB3      ALA  34   9.465   2.015  -1.012
  212    H    GLU  35           HN       GLU  35  10.843   2.995  -3.848
  213    HA   GLU  35           HA       GLU  35  13.154   2.726  -2.736
  214    HB2  GLU  35           HB2      GLU  35  12.662   2.400  -5.074
  215    HB3  GLU  35           HB1      GLU  35  12.533   4.096  -5.298
  216    HG2  GLU  35           HG2      GLU  35  14.747   3.027  -6.086
  217    HG3  GLU  35           HG1      GLU  35  14.777   4.570  -5.248
  218    H    ARG  36           HN       ARG  36  12.587   6.029  -4.113
  219    HA   ARG  36           HA       ARG  36  14.702   6.828  -2.298
  220    HB2  ARG  36           HB2      ARG  36  13.436   8.409  -4.512
  221    HB3  ARG  36           HB1      ARG  36  14.701   9.035  -3.463
  222    HG2  ARG  36           HG2      ARG  36  14.874   6.902  -5.576
  223    HG3  ARG  36           HG1      ARG  36  15.827   8.371  -5.407
  224    HD2  ARG  36           HD2      ARG  36  16.038   5.806  -3.836
  225    HD3  ARG  36           HD1      ARG  36  17.271   6.587  -4.814
  226    HE   ARG  36           HE       ARG  36  17.161   8.392  -3.032
  227   HH11  ARG  36          HH11      ARG  36  16.683   4.891  -2.404
  228   HH12  ARG  36          HH12      ARG  36  16.970   5.046  -0.741
  229   HH21  ARG  36          HH21      ARG  36  17.586   8.503  -0.642
  230   HH22  ARG  36          HH22      ARG  36  17.418   7.074   0.271
  231    H    HIS  37           HN       HIS  37  11.413   6.885  -2.097
  232    HA   HIS  37           HA       HIS  37  11.386   9.355  -0.493
  233    HB2  HIS  37           HB2      HIS  37   9.056   7.626  -1.327
  234    HB3  HIS  37           HB1      HIS  37   8.927   9.076  -0.345
  235    HD1  HIS  37           HD1      HIS  37   8.464   7.996  -3.613
  236    HD2  HIS  37           HD2      HIS  37  10.180  11.387  -1.947
  237    HE1  HIS  37           HE1      HIS  37   8.392   9.764  -5.443
  238    HE2  HIS  37           HE2      HIS  37   9.304  11.844  -4.337
  239    H    PHE  38           HN       PHE  38  10.518   5.980  -0.201
  240    HA   PHE  38           HA       PHE  38   9.942   6.356   2.582
  241    HB2  PHE  38           HB2      PHE  38   8.316   5.230   0.934
  242    HB3  PHE  38           HB1      PHE  38   9.381   3.833   1.041
  243    HD1  PHE  38           HD1      PHE  38   7.566   6.236   3.214
  244    HD2  PHE  38           HD2      PHE  38   8.942   2.217   2.736
  245    HE1  PHE  38           HE1      PHE  38   6.427   5.588   5.295
  246    HE2  PHE  38           HE2      PHE  38   7.813   1.602   4.801
  247    HZ   PHE  38           HZ       PHE  38   6.554   3.270   6.088
  248    H    ASP  39           HN       ASP  39  12.588   5.462   0.763
  249    HA   ASP  39           HA       ASP  39  13.790   3.140   1.453
  250    HB2  ASP  39           HB2      ASP  39  15.939   4.106   1.102
  251    HB3  ASP  39           HB1      ASP  39  14.812   4.960   0.067
  252    H    HIS  40           HN       HIS  40  13.400   5.663   3.513
  253    HA   HIS  40           HA       HIS  40  14.926   5.148   5.744
  254    HB2  HIS  40           HB2      HIS  40  12.075   6.178   5.747
  255    HB3  HIS  40           HB1      HIS  40  13.296   6.461   6.990
  256    HD1  HIS  40           HD1      HIS  40  11.879   8.075   4.061
  257    HD2  HIS  40           HD2      HIS  40  15.694   7.834   5.716
  258    HE1  HIS  40           HE1      HIS  40  13.165   9.918   3.035
  259    HE2  HIS  40           HE2      HIS  40  15.475   9.215   3.577
  260    H    LEU  41           HN       LEU  41  12.438   3.158   4.472
  261    HA   LEU  41           HA       LEU  41  10.992   1.829   6.307
  262    HB2  LEU  41           HB2      LEU  41  12.634   0.247   4.364
  263    HB3  LEU  41           HB1      LEU  41  11.182  -0.263   5.175
  264    HG   LEU  41           HG       LEU  41  10.299   1.868   3.882
  265   HD11  LEU  41          HD11      LEU  41  12.334   2.325   2.808
  266   HD12  LEU  41          HD12      LEU  41  11.183   1.768   1.561
  267   HD13  LEU  41          HD13      LEU  41  12.465   0.690   2.163
  268   HD21  LEU  41          HD21      LEU  41   9.181  -0.230   3.848
  269   HD22  LEU  41          HD22      LEU  41  10.478  -0.969   2.911
  270   HD23  LEU  41          HD23      LEU  41   9.441   0.248   2.173
  271    H    ARG  42           HN       ARG  42  14.455   1.527   6.172
  272    HA   ARG  42           HA       ARG  42  14.594  -0.932   7.708
  273    HB2  ARG  42           HB2      ARG  42  16.806   1.103   7.196
  274    HB3  ARG  42           HB1      ARG  42  17.034  -0.486   7.901
  275    HG2  ARG  42           HG2      ARG  42  17.706  -0.784   5.679
  276    HG3  ARG  42           HG1      ARG  42  16.051  -1.386   5.676
  277    HD2  ARG  42           HD2      ARG  42  15.365   0.947   4.891
  278    HD3  ARG  42           HD1      ARG  42  17.079   1.252   4.632
  279    HE   ARG  42           HE       ARG  42  15.946  -1.088   3.332
  280   HH11  ARG  42          HH11      ARG  42  17.000   2.289   2.888
  281   HH12  ARG  42          HH12      ARG  42  16.868   2.223   1.194
  282   HH21  ARG  42          HH21      ARG  42  15.714  -1.106   1.081
  283   HH22  ARG  42          HH22      ARG  42  16.086   0.243   0.110
  284    H    ALA  43           HN       ALA  43  13.829   2.146   8.485
  285    HA   ALA  43           HA       ALA  43  14.540   2.159  11.241
  286    HB1  ALA  43           HB1      ALA  43  12.468   3.602   9.611
  287    HB2  ALA  43           HB2      ALA  43  14.074   4.192   9.982
  288    HB3  ALA  43           HB3      ALA  43  12.870   4.025  11.283
  289    H    LYS  44           HN       LYS  44  11.590   1.428   9.340
  290    HA   LYS  44           HA       LYS  44  10.120   0.681  11.749
  291    HB2  LYS  44           HB2      LYS  44   9.383   0.640   8.828
  292    HB3  LYS  44           HB1      LYS  44   8.299   0.154  10.116
  293    HG2  LYS  44           HG2      LYS  44   8.226   2.386  10.981
  294    HG3  LYS  44           HG1      LYS  44   9.507   2.901   9.875
  295    HD2  LYS  44           HD2      LYS  44   8.098   2.541   7.971
  296    HD3  LYS  44           HD1      LYS  44   6.850   1.801   8.968
  297    HE2  LYS  44           HE2      LYS  44   7.752   4.668   9.238
  298    HE3  LYS  44           HE1      LYS  44   6.369   4.158   8.275
  299    HZ1  LYS  44           HZ1      LYS  44   5.385   3.229  10.292
  300    HZ2  LYS  44           HZ2      LYS  44   5.571   4.857  10.352
  301    HZ3  LYS  44           HZ3      LYS  44   6.630   3.880  11.246
  302    H    LYS  45           HN       LYS  45  11.821  -0.837   9.106
  303    HA   LYS  45           HA       LYS  45  12.226  -2.973   8.495
  304    HB2  LYS  45           HB2      LYS  45  12.080  -3.430  11.469
  305    HB3  LYS  45           HB1      LYS  45  12.855  -4.489  10.300
  306    HG2  LYS  45           HG2      LYS  45  14.564  -2.888   9.831
  307    HG3  LYS  45           HG1      LYS  45  13.627  -1.634  10.590
  308    HD2  LYS  45           HD2      LYS  45  14.431  -3.948  12.284
  309    HD3  LYS  45           HD1      LYS  45  15.612  -2.688  11.925
  310    HE2  LYS  45           HE2      LYS  45  14.407  -2.273  14.056
  311    HE3  LYS  45           HE1      LYS  45  14.169  -0.988  12.886
  312    HZ1  LYS  45           HZ1      LYS  45  11.965  -1.903  12.399
  313    HZ2  LYS  45           HZ2      LYS  45  12.106  -1.520  14.012
  314    HZ3  LYS  45           HZ3      LYS  45  12.186  -3.142  13.521
  315    H    ILE  46           HN       ILE  46   9.959  -2.803   7.624
  316    HA   ILE  46           HA       ILE  46   7.779  -4.065   8.886
  317    HB   ILE  46           HB       ILE  46   8.199  -3.850   5.874
  318   HG12  ILE  46          HG12      ILE  46   6.515  -1.868   6.183
  319   HG13  ILE  46          HG11      ILE  46   7.169  -1.814   7.816
  320   HG21  ILE  46          HG21      ILE  46   5.651  -4.131   7.449
  321   HG22  ILE  46          HG22      ILE  46   6.377  -5.370   6.385
  322   HG23  ILE  46          HG23      ILE  46   5.759  -3.873   5.718
  323   HD11  ILE  46          HD11      ILE  46   9.400  -1.389   6.909
  324   HD12  ILE  46          HD12      ILE  46   8.233  -0.229   6.258
  325   HD13  ILE  46          HD13      ILE  46   8.750  -1.605   5.285
  326    H    LEU  47           HN       LEU  47  10.317  -5.262   6.781
  327    HA   LEU  47           HA       LEU  47   9.429  -8.020   7.268
  328    HB2  LEU  47           HB2      LEU  47  11.160  -6.948   5.021
  329    HB3  LEU  47           HB1      LEU  47  10.712  -8.607   5.251
  330    HG   LEU  47           HG       LEU  47   9.586  -7.703   3.372
  331   HD11  LEU  47          HD11      LEU  47   7.469  -8.004   5.454
  332   HD12  LEU  47          HD12      LEU  47   8.385  -9.325   4.711
  333   HD13  LEU  47          HD13      LEU  47   7.387  -8.293   3.697
  334   HD21  LEU  47          HD21      LEU  47   9.631  -5.330   4.083
  335   HD22  LEU  47          HD22      LEU  47   8.209  -5.669   5.096
  336   HD23  LEU  47          HD23      LEU  47   8.136  -5.869   3.341
  337    H    SER  48           HN       SER  48  11.980  -9.034   6.359
  338    HA   SER  48           HA       SER  48  13.516  -8.712   8.733
  339    HB2  SER  48           HB2      SER  48  14.214 -10.051   6.112
  340    HB3  SER  48           HB1      SER  48  15.043 -10.280   7.654
  341    HG   SER  48           HG       SER  48  12.402 -10.649   7.945
  342    H    ARG  49           HN       ARG  49  15.589  -7.773   8.898
  343    HA   ARG  49           HA       ARG  49  15.993  -5.215   7.970
  344    HB2  ARG  49           HB2      ARG  49  17.363  -6.437   9.833
  345    HB3  ARG  49           HB1      ARG  49  18.254  -7.102   8.500
  346    HG2  ARG  49           HG2      ARG  49  18.751  -4.751   7.791
  347    HG3  ARG  49           HG1      ARG  49  18.110  -4.254   9.363
  348    HD2  ARG  49           HD2      ARG  49  20.163  -6.306   8.922
  349    HD3  ARG  49           HD1      ARG  49  20.608  -4.630   9.345
  350    HE   ARG  49           HE       ARG  49  19.327  -5.177  11.448
  351   HH11  ARG  49          HH11      ARG  49  20.735  -7.809   9.496
  352   HH12  ARG  49          HH12      ARG  49  21.201  -8.776  10.790
  353   HH21  ARG  49          HH21      ARG  49  19.936  -6.570  13.336
  354   HH22  ARG  49          HH22      ARG  49  20.707  -8.060  13.050
  355    H    GLU  50           HN       GLU  50  17.623  -8.133   6.805
  356    HA   GLU  50           HA       GLU  50  19.196  -6.957   4.835
  357    HB2  GLU  50           HB2      GLU  50  18.194  -9.796   4.740
  358    HB3  GLU  50           HB1      GLU  50  19.703  -9.158   4.107
  359    HG2  GLU  50           HG2      GLU  50  18.948  -9.680   6.966
  360    HG3  GLU  50           HG1      GLU  50  20.290 -10.350   6.042
  361    H    ASP  51           HN       ASP  51  16.076  -8.503   4.677
  362    HA   ASP  51           HA       ASP  51  15.595  -8.594   1.953
  363    HB2  ASP  51           HB2      ASP  51  14.080  -9.757   3.283
  364    HB3  ASP  51           HB1      ASP  51  13.847  -8.400   4.377
  365    H    THR  52           HN       THR  52  14.430  -6.111   4.226
  366    HA   THR  52           HA       THR  52  13.489  -4.517   2.122
  367    HB   THR  52           HB       THR  52  13.935  -3.523   4.954
  368    HG1  THR  52           HG1      THR  52  12.295  -5.579   3.987
  369   HG21  THR  52          HG21      THR  52  13.067  -1.838   3.293
  370   HG22  THR  52          HG22      THR  52  11.823  -2.216   4.457
  371   HG23  THR  52          HG23      THR  52  11.769  -2.928   2.870
  372    H    ARG  53           HN       ARG  53  16.626  -4.915   3.338
  373    HA   ARG  53           HA       ARG  53  17.608  -2.323   2.473
  374    HB2  ARG  53           HB2      ARG  53  19.136  -4.909   2.835
  375    HB3  ARG  53           HB1      ARG  53  19.850  -3.373   2.435
  376    HG2  ARG  53           HG2      ARG  53  19.090  -2.554   4.676
  377    HG3  ARG  53           HG1      ARG  53  18.613  -4.221   5.032
  378    HD2  ARG  53           HD2      ARG  53  21.405  -3.342   4.221
  379    HD3  ARG  53           HD1      ARG  53  20.900  -3.699   5.864
  380    HE   ARG  53           HE       ARG  53  21.031  -5.984   5.397
  381   HH11  ARG  53          HH11      ARG  53  21.553  -4.257   2.298
  382   HH12  ARG  53          HH12      ARG  53  21.994  -5.674   1.474
  383   HH21  ARG  53          HH21      ARG  53  21.813  -7.731   4.348
  384   HH22  ARG  53          HH22      ARG  53  22.261  -7.710   2.672
  385    H    GLU  54           HN       GLU  54  17.805  -5.661   1.327
  386    HA   GLU  54           HA       GLU  54  19.266  -5.251  -0.954
  387    HB2  GLU  54           HB2      GLU  54  17.452  -7.485  -0.162
  388    HB3  GLU  54           HB1      GLU  54  18.348  -7.501  -1.676
  389    HG2  GLU  54           HG2      GLU  54  19.548  -7.280   1.077
  390    HG3  GLU  54           HG1      GLU  54  19.531  -8.724   0.061
  391    H    ILE  55           HN       ILE  55  15.829  -4.836  -0.631
  392    HA   ILE  55           HA       ILE  55  15.326  -4.985  -3.356
  393    HB   ILE  55           HB       ILE  55  13.204  -3.677  -2.996
  394   HG12  ILE  55          HG12      ILE  55  12.709  -3.304  -0.413
  395   HG13  ILE  55          HG11      ILE  55  14.454  -3.108  -0.321
  396   HG21  ILE  55          HG21      ILE  55  12.100  -5.249  -1.555
  397   HG22  ILE  55          HG22      ILE  55  13.659  -5.820  -0.970
  398   HG23  ILE  55          HG23      ILE  55  13.219  -6.035  -2.663
  399   HD11  ILE  55          HD11      ILE  55  13.355  -0.949  -0.515
  400   HD12  ILE  55          HD12      ILE  55  12.546  -1.471  -1.981
  401   HD13  ILE  55          HD13      ILE  55  14.297  -1.263  -1.974
  402    H    SER  56           HN       SER  56  16.773  -2.419  -1.521
  403    HA   SER  56           HA       SER  56  16.798  -0.656  -3.823
  404    HB2  SER  56           HB2      SER  56  17.897  -0.293  -1.036
  405    HB3  SER  56           HB1      SER  56  17.956   0.924  -2.310
  406    HG   SER  56           HG       SER  56  15.774   0.966  -2.372
  407    H    CYS  57           HN       CYS  57  18.644  -3.276  -2.947
  408    HA   CYS  57           HA       CYS  57  21.156  -1.981  -3.637
  409    HB2  CYS  57           HB2      CYS  57  20.654  -4.878  -2.954
  410    HB3  CYS  57           HB1      CYS  57  22.220  -4.098  -3.104
  411    HG   CYS  57           HG       CYS  57  21.385  -4.752  -0.493
  412    H    ARG  58           HN       ARG  58  19.701  -5.030  -4.688
  413    HA   ARG  58           HA       ARG  58  21.162  -4.796  -7.192
  414    HB2  ARG  58           HB2      ARG  58  19.911  -7.126  -5.798
  415    HB3  ARG  58           HB1      ARG  58  20.547  -7.236  -7.435
  416    HG2  ARG  58           HG2      ARG  58  22.751  -6.700  -6.704
  417    HG3  ARG  58           HG1      ARG  58  22.173  -6.274  -5.093
  418    HD2  ARG  58           HD2      ARG  58  21.919  -9.028  -6.279
  419    HD3  ARG  58           HD1      ARG  58  23.287  -8.519  -5.289
  420    HE   ARG  58           HE       ARG  58  21.568  -8.031  -3.512
  421   HH11  ARG  58          HH11      ARG  58  20.895 -10.531  -5.933
  422   HH12  ARG  58          HH12      ARG  58  19.917 -11.449  -4.881
  423   HH21  ARG  58          HH21      ARG  58  20.365  -9.165  -2.187
  424   HH22  ARG  58          HH22      ARG  58  19.560 -10.640  -2.572
  425    H    THR  59           HN       THR  59  17.934  -4.555  -6.166
  426    HA   THR  59           HA       THR  59  16.662  -5.552  -8.483
  427    HB   THR  59           HB       THR  59  15.555  -3.594  -6.475
  428    HG1  THR  59           HG1      THR  59  15.759  -5.092  -5.051
  429   HG21  THR  59          HG21      THR  59  14.107  -4.144  -8.402
  430   HG22  THR  59          HG22      THR  59  13.451  -4.793  -6.898
  431   HG23  THR  59          HG23      THR  59  14.280  -5.860  -8.033
  432    H    SER  60           HN       SER  60  15.728  -4.424 -10.230
  433    HA   SER  60           HA       SER  60  16.954  -2.158 -11.286
  434    HB2  SER  60           HB2      SER  60  14.159  -3.081 -11.934
  435    HB3  SER  60           HB1      SER  60  15.375  -2.408 -13.020
  436    HG   SER  60           HG       SER  60  16.626  -4.327 -12.618
  437    H    SER  61           HN       SER  61  16.084   0.026 -11.551
  438    HA   SER  61           HA       SER  61  15.426   1.326  -9.271
  439    HB2  SER  61           HB2      SER  61  14.789   3.211 -10.869
  440    HB3  SER  61           HB1      SER  61  16.405   2.514 -11.029
  441    HG   SER  61           HG       SER  61  15.457   2.672 -13.055
  442    H    ARG  62           HN       ARG  62  13.039   1.165 -11.920
  443    HA   ARG  62           HA       ARG  62  10.963   1.959 -10.140
  444    HB2  ARG  62           HB2      ARG  62   9.344   1.581 -11.979
  445    HB3  ARG  62           HB1      ARG  62  10.679   2.631 -12.408
  446    HG2  ARG  62           HG2      ARG  62  11.642   1.004 -13.806
  447    HG3  ARG  62           HG1      ARG  62  10.655  -0.287 -13.109
  448    HD2  ARG  62           HD2      ARG  62   9.513   2.058 -14.632
  449    HD3  ARG  62           HD1      ARG  62   9.876   0.493 -15.369
  450    HE   ARG  62           HE       ARG  62   8.284  -0.491 -13.818
  451   HH11  ARG  62          HH11      ARG  62   7.868   3.036 -14.431
  452   HH12  ARG  62          HH12      ARG  62   6.265   3.002 -13.846
  453   HH21  ARG  62          HH21      ARG  62   6.039  -0.367 -13.026
  454   HH22  ARG  62          HH22      ARG  62   5.318   1.175 -13.022
  455    H    LYS  63           HN       LYS  63  12.264  -1.042 -10.706
  456    HA   LYS  63           HA       LYS  63   9.985  -2.691 -10.254
  457    HB2  LYS  63           HB2      LYS  63  12.920  -3.072 -10.237
  458    HB3  LYS  63           HB1      LYS  63  11.965  -4.231  -9.340
  459    HG2  LYS  63           HG2      LYS  63  11.545  -3.576 -12.240
  460    HG3  LYS  63           HG1      LYS  63  12.505  -4.938 -11.643
  461    HD2  LYS  63           HD2      LYS  63  10.462  -5.607 -10.323
  462    HD3  LYS  63           HD1      LYS  63   9.567  -4.434 -11.264
  463    HE2  LYS  63           HE2      LYS  63   9.314  -6.634 -12.302
  464    HE3  LYS  63           HE1      LYS  63  10.193  -5.534 -13.363
  465    HZ1  LYS  63           HZ1      LYS  63  12.272  -6.585 -12.646
  466    HZ2  LYS  63           HZ2      LYS  63  11.222  -7.715 -13.329
  467    HZ3  LYS  63           HZ3      LYS  63  11.406  -7.649 -11.654
  468    H    ARG  64           HN       ARG  64  12.172  -0.963  -8.264
  469    HA   ARG  64           HA       ARG  64  11.792  -2.434  -5.898
  470    HB2  ARG  64           HB2      ARG  64  12.707   0.410  -6.247
  471    HB3  ARG  64           HB1      ARG  64  12.955  -0.587  -4.825
  472    HG2  ARG  64           HG2      ARG  64  14.456  -1.983  -5.954
  473    HG3  ARG  64           HG1      ARG  64  14.039  -1.290  -7.529
  474    HD2  ARG  64           HD2      ARG  64  14.923   0.854  -6.811
  475    HD3  ARG  64           HD1      ARG  64  15.328   0.170  -5.242
  476    HE   ARG  64           HE       ARG  64  16.509  -1.177  -7.491
  477   HH11  ARG  64          HH11      ARG  64  16.870   1.365  -5.075
  478   HH12  ARG  64          HH12      ARG  64  18.567   1.399  -5.146
  479   HH21  ARG  64          HH21      ARG  64  18.799  -1.173  -7.612
  480   HH22  ARG  64          HH22      ARG  64  19.725  -0.127  -6.627
  481    H    ALA  65           HN       ALA  65  10.069   0.067  -7.496
  482    HA   ALA  65           HA       ALA  65   9.109   1.404  -5.244
  483    HB1  ALA  65           HB1      ALA  65   9.316   2.558  -7.338
  484    HB2  ALA  65           HB2      ALA  65   7.617   2.590  -6.840
  485    HB3  ALA  65           HB3      ALA  65   8.149   1.478  -8.094
  486    H    GLY  66           HN       GLY  66   7.254  -0.367  -7.761
  487    HA2  GLY  66           HA2      GLY  66   4.927  -0.590  -6.142
  488    HA3  GLY  66           HA1      GLY  66   5.177  -1.312  -7.720
  489    H    LYS  67           HN       LYS  67   7.636  -2.718  -6.726
  490    HA   LYS  67           HA       LYS  67   6.250  -5.092  -5.965
  491    HB2  LYS  67           HB2      LYS  67   8.456  -4.876  -7.346
  492    HB3  LYS  67           HB1      LYS  67   9.255  -4.743  -5.798
  493    HG2  LYS  67           HG2      LYS  67   7.582  -7.134  -6.610
  494    HG3  LYS  67           HG1      LYS  67   9.311  -7.021  -6.893
  495    HD2  LYS  67           HD2      LYS  67   9.694  -6.881  -4.473
  496    HD3  LYS  67           HD1      LYS  67   7.954  -6.932  -4.195
  497    HE2  LYS  67           HE2      LYS  67   9.613  -9.116  -5.462
  498    HE3  LYS  67           HE1      LYS  67   8.994  -9.118  -3.813
  499    HZ1  LYS  67           HZ1      LYS  67   6.727  -9.063  -4.734
  500    HZ2  LYS  67           HZ2      LYS  67   7.526 -10.435  -5.203
  501    HZ3  LYS  67           HZ3      LYS  67   7.324  -9.150  -6.288
  502    H    LEU  68           HN       LEU  68   7.671  -2.477  -4.233
  503    HA   LEU  68           HA       LEU  68   8.261  -3.711  -1.797
  504    HB2  LEU  68           HB2      LEU  68   8.901  -1.443  -2.107
  505    HB3  LEU  68           HB1      LEU  68   7.225  -0.927  -2.311
  506    HG   LEU  68           HG       LEU  68   6.882  -1.977  -0.009
  507   HD11  LEU  68          HD11      LEU  68   9.795  -1.600   0.113
  508   HD12  LEU  68          HD12      LEU  68   8.832  -3.095   0.247
  509   HD13  LEU  68          HD13      LEU  68   8.702  -1.832   1.491
  510   HD21  LEU  68          HD21      LEU  68   7.408   0.094   1.187
  511   HD22  LEU  68          HD22      LEU  68   6.684   0.468  -0.377
  512   HD23  LEU  68          HD23      LEU  68   8.415   0.620  -0.148
  513    H    LEU  69           HN       LEU  69   5.306  -2.198  -2.957
  514    HA   LEU  69           HA       LEU  69   3.859  -2.497  -0.523
  515    HB2  LEU  69           HB2      LEU  69   2.466  -2.153  -3.170
  516    HB3  LEU  69           HB1      LEU  69   2.080  -1.476  -1.618
  517    HG   LEU  69           HG       LEU  69   4.160  -0.514  -3.573
  518   HD11  LEU  69          HD11      LEU  69   2.030   0.339  -4.042
  519   HD12  LEU  69          HD12      LEU  69   2.960   1.632  -3.241
  520   HD13  LEU  69          HD13      LEU  69   1.755   0.735  -2.347
  521   HD21  LEU  69          HD21      LEU  69   5.229  -0.434  -1.350
  522   HD22  LEU  69          HD22      LEU  69   3.829   0.440  -0.728
  523   HD23  LEU  69          HD23      LEU  69   4.854   1.186  -1.954
  524    H    ASP  70           HN       ASP  70   4.633  -4.459  -3.068
  525    HA   ASP  70           HA       ASP  70   2.498  -6.352  -3.021
  526    HB2  ASP  70           HB2      ASP  70   3.600  -6.110  -5.077
  527    HB3  ASP  70           HB1      ASP  70   5.186  -6.165  -4.331
  528    H    TYR  71           HN       TYR  71   5.931  -6.424  -1.893
  529    HA   TYR  71           HA       TYR  71   5.501  -9.078  -0.974
  530    HB2  TYR  71           HB2      TYR  71   7.736  -9.098  -0.043
  531    HB3  TYR  71           HB1      TYR  71   7.748  -8.679  -1.769
  532    HD1  TYR  71           HD1      TYR  71   8.358  -5.965  -2.179
  533    HD2  TYR  71           HD2      TYR  71   8.816  -8.083   1.498
  534    HE1  TYR  71           HE1      TYR  71  10.050  -4.388  -1.458
  535    HE2  TYR  71           HE2      TYR  71  10.463  -6.425   2.184
  536    HH   TYR  71           HH       TYR  71  11.924  -5.010   1.259
  537    H    LEU  72           HN       LEU  72   5.278  -6.121   0.636
  538    HA   LEU  72           HA       LEU  72   5.332  -7.411   3.189
  539    HB2  LEU  72           HB2      LEU  72   4.648  -5.129   3.999
  540    HB3  LEU  72           HB1      LEU  72   6.279  -5.498   3.537
  541    HG   LEU  72           HG       LEU  72   5.757  -4.395   1.339
  542   HD11  LEU  72          HD11      LEU  72   3.339  -4.452   1.417
  543   HD12  LEU  72          HD12      LEU  72   3.895  -2.772   1.395
  544   HD13  LEU  72          HD13      LEU  72   3.344  -3.499   2.896
  545   HD21  LEU  72          HD21      LEU  72   5.580  -2.801   3.843
  546   HD22  LEU  72          HD22      LEU  72   6.285  -2.275   2.279
  547   HD23  LEU  72          HD23      LEU  72   6.990  -3.621   3.217
  548    H    GLN  73           HN       GLN  73   2.941  -7.074   0.927
  549    HA   GLN  73           HA       GLN  73   0.689  -5.984   1.967
  550    HB2  GLN  73           HB2      GLN  73   0.627  -6.678  -0.210
  551    HB3  GLN  73           HB1      GLN  73   0.970  -8.349   0.209
  552    HG2  GLN  73           HG2      GLN  73  -1.426  -7.845  -0.440
  553    HG3  GLN  73           HG1      GLN  73  -1.299  -8.602   1.190
  554   HE21  GLN  73          HE21      GLN  73  -3.350  -7.705   0.019
  555   HE22  GLN  73          HE22      GLN  73  -3.810  -6.124   0.532
  556    H    GLU  74           HN       GLU  74   1.428  -9.499   2.909
  557    HA   GLU  74           HA       GLU  74  -1.316  -9.222   3.721
  558    HB2  GLU  74           HB2      GLU  74   0.364 -11.624   3.465
  559    HB3  GLU  74           HB1      GLU  74  -1.087 -11.699   4.458
  560    HG2  GLU  74           HG2      GLU  74  -0.937 -10.923   1.550
  561    HG3  GLU  74           HG1      GLU  74  -1.612 -12.414   2.221
  562    H    ASN  75           HN       ASN  75   1.505 -10.181   5.913
  563    HA   ASN  75           HA       ASN  75   0.268  -8.376   7.677
  564    HB2  ASN  75           HB2      ASN  75  -1.382 -10.196   8.030
  565    HB3  ASN  75           HB1      ASN  75  -0.110 -11.199   8.708
  566   HD21  ASN  75          HD21      ASN  75  -1.143 -11.368  10.687
  567   HD22  ASN  75          HD22      ASN  75  -1.259 -10.066  11.819
  568    HA   PRO  76           HA       PRO  76   3.987  -8.907   9.869
  569    HB2  PRO  76           HB2      PRO  76   5.690  -7.039   8.823
  570    HB3  PRO  76           HB1      PRO  76   5.747  -8.743   8.314
  571    HG2  PRO  76           HG2      PRO  76   4.404  -6.447   6.951
  572    HG3  PRO  76           HG1      PRO  76   5.393  -7.755   6.213
  573    HD2  PRO  76           HD2      PRO  76   2.699  -7.609   6.204
  574    HD3  PRO  76           HD1      PRO  76   3.585  -9.148   6.221
  575    H    LYS  77           HN       LYS  77   4.247  -5.631   8.565
  576    HA   LYS  77           HA       LYS  77   1.714  -4.797   9.610
  577    HB2  LYS  77           HB2      LYS  77   4.319  -3.454  10.193
  578    HB3  LYS  77           HB1      LYS  77   2.880  -2.462   9.993
  579    HG2  LYS  77           HG2      LYS  77   3.080  -4.752  11.955
  580    HG3  LYS  77           HG1      LYS  77   3.403  -3.071  12.372
  581    HD2  LYS  77           HD2      LYS  77   1.205  -2.899  12.870
  582    HD3  LYS  77           HD1      LYS  77   0.910  -2.956  11.145
  583    HE2  LYS  77           HE2      LYS  77   0.941  -5.398  12.958
  584    HE3  LYS  77           HE1      LYS  77  -0.514  -4.520  12.530
  585    HZ1  LYS  77           HZ1      LYS  77  -0.319  -6.464  11.110
  586    HZ2  LYS  77           HZ2      LYS  77   1.248  -6.100  10.735
  587    HZ3  LYS  77           HZ3      LYS  77  -0.011  -5.113  10.148
  588    H    GLY  78           HN       GLY  78   2.067  -5.694   7.103
  589    HA2  GLY  78           HA2      GLY  78   3.759  -4.407   5.452
  590    HA3  GLY  78           HA1      GLY  78   2.336  -5.226   4.848
  591    H    LEU  79           HN       LEU  79   0.339  -3.669   4.700
  592    HA   LEU  79           HA       LEU  79   1.485  -1.138   3.972
  593    HB2  LEU  79           HB2      LEU  79  -1.213  -2.175   3.164
  594    HB3  LEU  79           HB1      LEU  79  -0.747  -0.502   2.945
  595    HG   LEU  79           HG       LEU  79   1.331  -1.626   1.760
  596   HD11  LEU  79          HD11      LEU  79   0.915  -3.810   2.072
  597   HD12  LEU  79          HD12      LEU  79   0.377  -3.545   0.360
  598   HD13  LEU  79          HD13      LEU  79  -0.777  -3.625   1.698
  599   HD21  LEU  79          HD21      LEU  79  -1.341  -1.217   0.421
  600   HD22  LEU  79          HD22      LEU  79   0.215  -1.333  -0.398
  601   HD23  LEU  79          HD23      LEU  79  -0.103   0.006   0.702
  602    H    ASP  80           HN       ASP  80  -0.090  -2.474   6.406
  603    HA   ASP  80           HA       ASP  80  -1.756  -0.681   7.373
  604    HB2  ASP  80           HB2      ASP  80   0.257  -1.975   9.236
  605    HB3  ASP  80           HB1      ASP  80  -1.403  -1.551   9.600
  606    H    THR  81           HN       THR  81   1.754  -0.785   7.662
  607    HA   THR  81           HA       THR  81   1.797   1.791   8.950
  608    HB   THR  81           HB       THR  81   3.344   0.058   9.838
  609    HG1  THR  81           HG1      THR  81   3.727   2.509   9.677
  610   HG21  THR  81          HG21      THR  81   4.815   0.427   7.201
  611   HG22  THR  81          HG22      THR  81   4.069  -1.075   7.757
  612   HG23  THR  81          HG23      THR  81   5.461  -0.423   8.594
  613    H    LEU  82           HN       LEU  82   2.287   0.540   5.746
  614    HA   LEU  82           HA       LEU  82   3.807   2.725   4.755
  615    HB2  LEU  82           HB2      LEU  82   1.861   1.029   3.184
  616    HB3  LEU  82           HB1      LEU  82   3.029   2.125   2.496
  617    HG   LEU  82           HG       LEU  82   3.475  -0.618   3.656
  618   HD11  LEU  82          HD11      LEU  82   4.334   0.733   1.193
  619   HD12  LEU  82          HD12      LEU  82   3.022  -0.436   1.367
  620   HD13  LEU  82          HD13      LEU  82   4.699  -0.920   1.661
  621   HD21  LEU  82          HD21      LEU  82   5.627   1.470   3.272
  622   HD22  LEU  82          HD22      LEU  82   5.890  -0.226   3.640
  623   HD23  LEU  82          HD23      LEU  82   5.116   0.821   4.827
  624    H    VAL  83           HN       VAL  83   0.328   2.202   5.031
  625    HA   VAL  83           HA       VAL  83  -0.550   4.384   3.576
  626    HB   VAL  83           HB       VAL  83  -2.190   2.749   4.142
  627   HG11  VAL  83          HG11      VAL  83  -2.861   2.319   6.442
  628   HG12  VAL  83          HG12      VAL  83  -1.610   3.504   6.947
  629   HG13  VAL  83          HG13      VAL  83  -1.139   2.026   6.100
  630   HG21  VAL  83          HG21      VAL  83  -4.010   4.074   5.190
  631   HG22  VAL  83          HG22      VAL  83  -3.122   5.005   3.972
  632   HG23  VAL  83          HG23      VAL  83  -2.783   5.250   5.692
  633    H    GLU  84           HN       GLU  84   0.762   4.238   6.676
  634    HA   GLU  84           HA       GLU  84  -0.107   6.510   8.019
  635    HB2  GLU  84           HB2      GLU  84   1.174   4.724   9.015
  636    HB3  GLU  84           HB1      GLU  84   2.497   5.004   7.918
  637    HG2  GLU  84           HG2      GLU  84   2.723   7.261   9.080
  638    HG3  GLU  84           HG1      GLU  84   1.674   6.563  10.322
  639    H    SER  85           HN       SER  85   2.315   6.118   5.512
  640    HA   SER  85           HA       SER  85   3.210   8.842   5.776
  641    HB2  SER  85           HB2      SER  85   4.796   6.994   5.284
  642    HB3  SER  85           HB1      SER  85   3.995   6.747   3.732
  643    HG   SER  85           HG       SER  85   5.398   8.128   3.074
  644    H    ILE  86           HN       ILE  86   0.799   7.130   4.039
  645    HA   ILE  86           HA       ILE  86   0.704   8.812   1.684
  646    HB   ILE  86           HB       ILE  86  -1.721   7.341   2.658
  647   HG12  ILE  86          HG12      ILE  86   0.207   5.867   2.976
  648   HG13  ILE  86          HG11      ILE  86  -0.989   5.207   1.830
  649   HG21  ILE  86          HG21      ILE  86  -0.523   7.758  -0.059
  650   HG22  ILE  86          HG22      ILE  86  -1.880   8.640   0.629
  651   HG23  ILE  86          HG23      ILE  86  -2.039   6.917   0.258
  652   HD11  ILE  86          HD11      ILE  86   1.726   6.391   1.328
  653   HD12  ILE  86          HD12      ILE  86   0.617   5.805   0.052
  654   HD13  ILE  86          HD13      ILE  86   1.221   4.701   1.326
  655    H    ARG  87           HN       ARG  87  -0.416   8.847   4.860
  656    HA   ARG  87           HA       ARG  87  -2.629  10.563   4.813
  657    HB2  ARG  87           HB2      ARG  87  -0.600   9.947   6.967
  658    HB3  ARG  87           HB1      ARG  87  -1.999  11.011   7.272
  659    HG2  ARG  87           HG2      ARG  87  -3.402   9.058   6.618
  660    HG3  ARG  87           HG1      ARG  87  -1.921   8.108   6.489
  661    HD2  ARG  87           HD2      ARG  87  -2.986   9.474   8.959
  662    HD3  ARG  87           HD1      ARG  87  -2.932   7.741   8.654
  663    HE   ARG  87           HE       ARG  87  -0.345   8.787   8.446
  664   HH11  ARG  87          HH11      ARG  87  -2.774   8.051  10.911
  665   HH12  ARG  87          HH12      ARG  87  -1.669   7.915  12.199
  666   HH21  ARG  87          HH21      ARG  87   1.198   8.639  10.220
  667   HH22  ARG  87          HH22      ARG  87   0.683   8.261  11.786
  668    H    ARG  88           HN       ARG  88   0.286  11.236   3.840
  669    HA   ARG  88           HA       ARG  88   1.220  13.706   4.563
  670    HB2  ARG  88           HB2      ARG  88   2.107  11.808   3.025
  671    HB3  ARG  88           HB1      ARG  88   1.338  12.732   1.747
  672    HG2  ARG  88           HG2      ARG  88   3.644  13.325   1.826
  673    HG3  ARG  88           HG1      ARG  88   2.710  14.693   2.441
  674    HD2  ARG  88           HD2      ARG  88   4.697  14.250   3.816
  675    HD3  ARG  88           HD1      ARG  88   3.217  14.035   4.739
  676    HE   ARG  88           HE       ARG  88   3.997  11.570   3.630
  677   HH11  ARG  88          HH11      ARG  88   4.926  13.805   6.196
  678   HH12  ARG  88          HH12      ARG  88   5.719  12.647   7.160
  679   HH21  ARG  88          HH21      ARG  88   5.129   9.927   4.917
  680   HH22  ARG  88          HH22      ARG  88   5.832  10.353   6.395
  681    H    GLU  89           HN       GLU  89  -1.854  13.317   3.247
  682    HA   GLU  89           HA       GLU  89  -2.258  14.747   1.006
  683    HB2  GLU  89           HB2      GLU  89  -4.051  13.522   2.160
  684    HB3  GLU  89           HB1      GLU  89  -4.162  14.805   3.347
  685    HG2  GLU  89           HG2      GLU  89  -5.028  16.353   1.793
  686    HG3  GLU  89           HG1      GLU  89  -4.580  15.353   0.422
  687    H    LYS  90           HN       LYS  90  -1.414  16.394   3.909
  688    HA   LYS  90           HA       LYS  90  -2.252  19.009   3.138
  689    HB2  LYS  90           HB2      LYS  90  -0.527  19.879   4.660
  690    HB3  LYS  90           HB1      LYS  90  -1.485  18.612   5.412
  691    HG2  LYS  90           HG2      LYS  90   0.265  17.146   5.507
  692    HG3  LYS  90           HG1      LYS  90   1.046  17.819   4.080
  693    HD2  LYS  90           HD2      LYS  90   0.869  19.414   6.618
  694    HD3  LYS  90           HD1      LYS  90   2.122  18.193   6.417
  695    HE2  LYS  90           HE2      LYS  90   2.968  20.415   5.796
  696    HE3  LYS  90           HE1      LYS  90   2.943  19.344   4.407
  697    HZ1  LYS  90           HZ1      LYS  90   2.188  21.604   3.908
  698    HZ2  LYS  90           HZ2      LYS  90   0.876  21.432   4.960
  699    HZ3  LYS  90           HZ3      LYS  90   0.994  20.476   3.570
  700    H    THR  91           HN       THR  91  -0.003  16.989   1.714
  701    HA   THR  91           HA       THR  91   1.449  19.147   0.366
  702    HB   THR  91           HB       THR  91   1.973  16.249   0.288
  703    HG1  THR  91           HG1      THR  91   3.721  17.055   1.951
  704   HG21  THR  91          HG21      THR  91   3.212  17.547  -1.362
  705   HG22  THR  91          HG22      THR  91   4.354  16.951  -0.155
  706   HG23  THR  91          HG23      THR  91   3.815  18.630  -0.106
  707    H    GLN  92           HN       GLN  92  -1.263  17.356   0.043
  708    HA   GLN  92           HA       GLN  92  -2.690  17.777  -1.593
  709    HB2  GLN  92           HB2      GLN  92  -0.687  17.075  -3.759
  710    HB3  GLN  92           HB1      GLN  92  -2.381  17.445  -4.030
  711    HG2  GLN  92           HG2      GLN  92  -0.146  19.276  -3.230
  712    HG3  GLN  92           HG1      GLN  92  -1.303  19.441  -4.546
  713   HE21  GLN  92          HE21      GLN  92  -0.752  19.780  -1.157
  714   HE22  GLN  92          HE22      GLN  92  -2.117  20.823  -0.833
  715    H    ASN  93           HN       ASN  93  -4.062  16.554  -2.897
  716    HA   ASN  93           HA       ASN  93  -4.582  14.165  -1.399
  717    HB2  ASN  93           HB2      ASN  93  -6.806  14.309  -2.318
  718    HB3  ASN  93           HB1      ASN  93  -6.279  15.905  -1.847
  719   HD21  ASN  93          HD21      ASN  93  -8.312  15.087  -3.762
  720   HD22  ASN  93          HD22      ASN  93  -7.883  15.846  -5.261
  721    H    PHE  94           HN       PHE  94  -2.969  14.670  -4.180
  722    HA   PHE  94           HA       PHE  94  -3.758  13.103  -6.246
  723    HB2  PHE  94           HB2      PHE  94  -1.788  14.523  -6.305
  724    HB3  PHE  94           HB1      PHE  94  -0.931  13.430  -5.237
  725    HD1  PHE  94           HD1      PHE  94  -2.412  13.741  -8.618
  726    HD2  PHE  94           HD2      PHE  94   0.294  11.619  -6.113
  727    HE1  PHE  94           HE1      PHE  94  -1.503  12.577 -10.588
  728    HE2  PHE  94           HE2      PHE  94   1.203  10.449  -8.072
  729    HZ   PHE  94           HZ       PHE  94   0.307  10.926 -10.314
  730    H    LEU  95           HN       LEU  95  -2.284  11.819  -3.348
  731    HA   LEU  95           HA       LEU  95  -2.113   9.056  -4.353
  732    HB2  LEU  95           HB2      LEU  95  -1.164  10.637  -2.099
  733    HB3  LEU  95           HB1      LEU  95  -1.669   9.043  -1.663
  734    HG   LEU  95           HG       LEU  95   0.839   9.315  -2.165
  735   HD11  LEU  95          HD11      LEU  95   0.957   7.122  -3.204
  736   HD12  LEU  95          HD12      LEU  95  -0.727   7.242  -3.678
  737   HD13  LEU  95          HD13      LEU  95  -0.304   7.140  -1.974
  738   HD21  LEU  95          HD21      LEU  95   0.564  10.599  -4.250
  739   HD22  LEU  95          HD22      LEU  95  -0.205   9.148  -4.954
  740   HD23  LEU  95          HD23      LEU  95   1.481   9.092  -4.453
  741    H    ILE  96           HN       ILE  96  -3.439  10.674  -1.627
  742    HA   ILE  96           HA       ILE  96  -4.769   8.592  -0.402
  743    HB   ILE  96           HB       ILE  96  -6.034  10.798   0.550
  744   HG12  ILE  96          HG12      ILE  96  -4.355  12.012  -1.103
  745   HG13  ILE  96          HG11      ILE  96  -4.701  12.744   0.474
  746   HG21  ILE  96          HG21      ILE  96  -5.046   9.085   1.899
  747   HG22  ILE  96          HG22      ILE  96  -4.478  10.667   2.425
  748   HG23  ILE  96          HG23      ILE  96  -3.425   9.633   1.469
  749   HD11  ILE  96          HD11      ILE  96  -2.294  11.115  -0.390
  750   HD12  ILE  96          HD12      ILE  96  -2.523  11.806   1.214
  751   HD13  ILE  96          HD13      ILE  96  -2.362  12.864  -0.187
  752    H    GLN  97           HN       GLN  97  -6.066  11.086  -2.531
  753    HA   GLN  97           HA       GLN  97  -8.696  10.573  -1.675
  754    HB2  GLN  97           HB2      GLN  97  -7.498  12.631  -2.877
  755    HB3  GLN  97           HB1      GLN  97  -8.367  11.951  -4.241
  756    HG2  GLN  97           HG2      GLN  97  -9.559  13.751  -2.871
  757    HG3  GLN  97           HG1      GLN  97 -10.454  12.280  -3.249
  758   HE21  GLN  97          HE21      GLN  97  -8.591  13.895  -0.603
  759   HE22  GLN  97          HE22      GLN  97  -9.392  13.063   0.619
  760    H    LYS  98           HN       LYS  98  -6.821   9.037  -4.121
  761    HA   LYS  98           HA       LYS  98  -9.206   7.993  -5.388
  762    HB2  LYS  98           HB2      LYS  98  -7.059   8.217  -6.703
  763    HB3  LYS  98           HB1      LYS  98  -6.382   6.924  -5.719
  764    HG2  LYS  98           HG2      LYS  98  -7.123   5.985  -7.820
  765    HG3  LYS  98           HG1      LYS  98  -8.190   5.410  -6.537
  766    HD2  LYS  98           HD2      LYS  98  -9.832   7.171  -7.157
  767    HD3  LYS  98           HD1      LYS  98  -8.770   7.670  -8.468
  768    HE2  LYS  98           HE2      LYS  98 -10.460   6.304  -9.434
  769    HE3  LYS  98           HE1      LYS  98  -9.000   5.327  -9.387
  770    HZ1  LYS  98           HZ1      LYS  98 -10.986   4.100  -8.693
  771    HZ2  LYS  98           HZ2      LYS  98 -11.283   5.154  -7.471
  772    HZ3  LYS  98           HZ3      LYS  98  -9.916   4.146  -7.421
  773    H    ILE  99           HN       ILE  99  -7.077   7.205  -2.817
  774    HA   ILE  99           HA       ILE  99  -7.705   4.461  -2.531
  775    HB   ILE  99           HB       ILE  99  -6.808   6.442  -0.407
  776   HG12  ILE  99          HG12      ILE  99  -5.152   4.633  -2.197
  777   HG13  ILE  99          HG11      ILE  99  -5.237   6.384  -2.286
  778   HG21  ILE  99          HG21      ILE  99  -5.975   4.467   0.799
  779   HG22  ILE  99          HG22      ILE  99  -6.647   3.426  -0.453
  780   HG23  ILE  99          HG23      ILE  99  -7.722   4.396   0.554
  781   HD11  ILE  99          HD11      ILE  99  -4.118   4.789   0.009
  782   HD12  ILE  99          HD12      ILE  99  -4.212   6.543  -0.070
  783   HD13  ILE  99          HD13      ILE  99  -3.190   5.663  -1.210
  784    H    THR 100           HN       THR 100  -8.969   7.470  -1.138
  785    HA   THR 100           HA       THR 100 -10.960   6.458   0.488
  786    HB   THR 100           HB       THR 100 -11.182   8.950  -1.212
  787    HG1  THR 100           HG1      THR 100  -9.869   9.951   0.196
  788   HG21  THR 100          HG21      THR 100 -12.131   8.290   1.586
  789   HG22  THR 100          HG22      THR 100 -13.149   8.381   0.148
  790   HG23  THR 100          HG23      THR 100 -12.356   9.831   0.761
  791    H    ASP 101           HN       ASP 101 -11.058   7.461  -2.923
  792    HA   ASP 101           HA       ASP 101 -13.709   6.917  -3.532
  793    HB2  ASP 101           HB2      ASP 101 -12.327   8.178  -5.047
  794    HB3  ASP 101           HB1      ASP 101 -11.247   6.807  -5.273
  795    H    GLU 102           HN       GLU 102 -10.884   4.780  -3.867
  796    HA   GLU 102           HA       GLU 102 -12.061   2.466  -4.834
  797    HB2  GLU 102           HB2      GLU 102  -9.934   2.671  -2.690
  798    HB3  GLU 102           HB1      GLU 102 -10.378   1.197  -3.520
  799    HG2  GLU 102           HG2      GLU 102  -9.171   3.628  -4.811
  800    HG3  GLU 102           HG1      GLU 102  -8.300   2.180  -4.313
  801    H    VAL 103           HN       VAL 103 -11.494   3.264  -1.441
  802    HA   VAL 103           HA       VAL 103 -12.776   1.052  -0.366
  803    HB   VAL 103           HB       VAL 103 -12.303   3.765   0.919
  804   HG11  VAL 103          HG11      VAL 103 -13.006   1.138   2.219
  805   HG12  VAL 103          HG12      VAL 103 -13.982   2.609   2.230
  806   HG13  VAL 103          HG13      VAL 103 -12.432   2.558   3.077
  807   HG21  VAL 103          HG21      VAL 103 -10.276   2.684   0.159
  808   HG22  VAL 103          HG22      VAL 103 -10.723   1.205   1.011
  809   HG23  VAL 103          HG23      VAL 103 -10.354   2.670   1.921
  810    H    LEU 104           HN       LEU 104 -14.093   4.165  -1.260
  811    HA   LEU 104           HA       LEU 104 -16.558   3.704  -0.046
  812    HB2  LEU 104           HB2      LEU 104 -15.546   5.744  -1.932
  813    HB3  LEU 104           HB1      LEU 104 -17.279   5.521  -1.904
  814    HG   LEU 104           HG       LEU 104 -17.345   6.087   0.477
  815   HD11  LEU 104          HD11      LEU 104 -15.387   6.944   1.652
  816   HD12  LEU 104          HD12      LEU 104 -14.371   6.508   0.275
  817   HD13  LEU 104          HD13      LEU 104 -15.184   5.251   1.201
  818   HD21  LEU 104          HD21      LEU 104 -16.731   8.446   0.302
  819   HD22  LEU 104          HD22      LEU 104 -17.574   7.874  -1.138
  820   HD23  LEU 104          HD23      LEU 104 -15.824   8.096  -1.169
  821    H    LYS 105           HN       LYS 105 -15.525   3.318  -3.464
  822    HA   LYS 105           HA       LYS 105 -18.100   2.364  -4.260
  823    HB2  LYS 105           HB2      LYS 105 -15.775   3.082  -5.645
  824    HB3  LYS 105           HB1      LYS 105 -15.966   1.369  -5.977
  825    HG2  LYS 105           HG2      LYS 105 -17.971   3.564  -6.544
  826    HG3  LYS 105           HG1      LYS 105 -17.047   2.648  -7.723
  827    HD2  LYS 105           HD2      LYS 105 -19.152   1.466  -5.875
  828    HD3  LYS 105           HD1      LYS 105 -19.436   1.937  -7.544
  829    HE2  LYS 105           HE2      LYS 105 -17.857   0.246  -8.315
  830    HE3  LYS 105           HE1      LYS 105 -17.454  -0.164  -6.648
  831    HZ1  LYS 105           HZ1      LYS 105 -19.052  -1.754  -7.597
  832    HZ2  LYS 105           HZ2      LYS 105 -20.155  -0.517  -7.882
  833    HZ3  LYS 105           HZ3      LYS 105 -19.732  -0.919  -6.309
  834    H    LEU 106           HN       LEU 106 -15.228   0.876  -3.021
  835    HA   LEU 106           HA       LEU 106 -15.936  -1.798  -3.574
  836    HB2  LEU 106           HB2      LEU 106 -13.934  -0.534  -1.755
  837    HB3  LEU 106           HB1      LEU 106 -14.400  -2.197  -1.484
  838    HG   LEU 106           HG       LEU 106 -12.294  -2.020  -2.733
  839   HD11  LEU 106          HD11      LEU 106 -14.504  -3.202  -4.369
  840   HD12  LEU 106          HD12      LEU 106 -13.651  -3.971  -3.032
  841   HD13  LEU 106          HD13      LEU 106 -12.784  -3.565  -4.511
  842   HD21  LEU 106          HD21      LEU 106 -12.710   0.030  -3.935
  843   HD22  LEU 106          HD22      LEU 106 -13.940  -0.767  -4.923
  844   HD23  LEU 106          HD23      LEU 106 -12.244  -1.259  -5.048
  845    H    ARG 107           HN       ARG 107 -17.412   0.350  -1.368
  846    HA   ARG 107           HA       ARG 107 -17.986  -1.439   0.725
  847    HB2  ARG 107           HB2      ARG 107 -18.402   1.020   0.756
  848    HB3  ARG 107           HB1      ARG 107 -19.845   0.758  -0.215
  849    HG2  ARG 107           HG2      ARG 107 -20.336   1.041   2.217
  850    HG3  ARG 107           HG1      ARG 107 -20.864  -0.521   1.589
  851    HD2  ARG 107           HD2      ARG 107 -19.116  -1.672   2.592
  852    HD3  ARG 107           HD1      ARG 107 -18.147  -0.225   2.803
  853    HE   ARG 107           HE       ARG 107 -20.219   0.244   4.483
  854   HH11  ARG 107          HH11      ARG 107 -18.025  -2.523   4.143
  855   HH12  ARG 107          HH12      ARG 107 -18.231  -2.989   5.796
  856   HH21  ARG 107          HH21      ARG 107 -20.387  -0.407   6.701
  857   HH22  ARG 107          HH22      ARG 107 -19.536  -1.762   7.242
  858    H    ASN 108           HN       ASN 108 -19.150  -1.313  -2.417
  859    HA   ASN 108           HA       ASN 108 -21.582  -2.767  -2.403
  860    HB2  ASN 108           HB2      ASN 108 -20.644  -1.687  -4.372
  861    HB3  ASN 108           HB1      ASN 108 -19.262  -2.812  -4.409
  862   HD21  ASN 108          HD21      ASN 108 -21.512  -5.012  -3.975
  863   HD22  ASN 108          HD22      ASN 108 -22.218  -4.903  -5.514
  864    H    ILE 109           HN       ILE 109 -18.221  -3.653  -2.272
  865    HA   ILE 109           HA       ILE 109 -18.450  -6.398  -2.562
  866    HB   ILE 109           HB       ILE 109 -16.240  -4.517  -1.898
  867   HG12  ILE 109          HG12      ILE 109 -15.132  -5.645  -3.807
  868   HG13  ILE 109          HG11      ILE 109 -16.510  -6.719  -3.949
  869   HG21  ILE 109          HG21      ILE 109 -14.619  -6.268  -1.565
  870   HG22  ILE 109          HG22      ILE 109 -15.915  -7.469  -1.526
  871   HG23  ILE 109          HG23      ILE 109 -15.818  -6.226  -0.273
  872   HD11  ILE 109          HD11      ILE 109 -16.552  -4.941  -5.620
  873   HD12  ILE 109          HD12      ILE 109 -16.574  -3.727  -4.337
  874   HD13  ILE 109          HD13      ILE 109 -17.932  -4.830  -4.530
  875    H    LYS 110           HN       LYS 110 -18.835  -4.418   0.165
  876    HA   LYS 110           HA       LYS 110 -18.556  -6.161   2.327
  877    HB2  LYS 110           HB2      LYS 110 -19.183  -3.893   2.734
  878    HB3  LYS 110           HB1      LYS 110 -20.622  -4.039   1.744
  879    HG2  LYS 110           HG2      LYS 110 -21.275  -3.949   4.046
  880    HG3  LYS 110           HG1      LYS 110 -21.571  -5.579   3.453
  881    HD2  LYS 110           HD2      LYS 110 -19.506  -6.340   4.512
  882    HD3  LYS 110           HD1      LYS 110 -19.189  -4.698   5.079
  883    HE2  LYS 110           HE2      LYS 110 -21.388  -4.797   6.292
  884    HE3  LYS 110           HE1      LYS 110 -21.464  -6.510   5.877
  885    HZ1  LYS 110           HZ1      LYS 110 -19.348  -5.164   7.424
  886    HZ2  LYS 110           HZ2      LYS 110 -19.233  -6.715   7.035
  887    HZ3  LYS 110           HZ3      LYS 110 -20.469  -6.210   8.119
  888    H    LEU 111           HN       LEU 111 -21.168  -5.921  -0.067
  889    HA   LEU 111           HA       LEU 111 -22.919  -7.775   1.187
  890    HB2  LEU 111           HB2      LEU 111 -22.808  -6.849  -1.681
  891    HB3  LEU 111           HB1      LEU 111 -24.157  -7.645  -0.901
  892    HG   LEU 111           HG       LEU 111 -23.120  -4.899  -0.199
  893   HD11  LEU 111          HD11      LEU 111 -25.170  -4.088  -1.254
  894   HD12  LEU 111          HD12      LEU 111 -25.568  -5.736  -1.742
  895   HD13  LEU 111          HD13      LEU 111 -24.138  -4.941  -2.404
  896   HD21  LEU 111          HD21      LEU 111 -24.155  -6.018   1.712
  897   HD22  LEU 111          HD22      LEU 111 -25.573  -6.398   0.736
  898   HD23  LEU 111          HD23      LEU 111 -25.189  -4.719   1.119
  899    H    GLU 112           HN       GLU 112 -20.397  -7.925  -1.214
  900    HA   GLU 112           HA       GLU 112 -20.966 -10.692  -1.778
  901    HB2  GLU 112           HB2      GLU 112 -19.123  -8.671  -2.994
  902    HB3  GLU 112           HB1      GLU 112 -18.888 -10.380  -3.325
  903    HG2  GLU 112           HG2      GLU 112 -20.227  -9.182  -5.059
  904    HG3  GLU 112           HG1      GLU 112 -21.042 -10.566  -4.347
  905    H    HIS 113           HN       HIS 113 -19.421  -9.285   0.633
  906    HA   HIS 113           HA       HIS 113 -17.344 -11.306   0.958
  907    HB2  HIS 113           HB2      HIS 113 -18.252  -9.020   2.693
  908    HB3  HIS 113           HB1      HIS 113 -17.330 -10.328   3.419
  909    HD1  HIS 113           HD1      HIS 113 -15.838  -7.877   3.718
  910    HD2  HIS 113           HD2      HIS 113 -15.709  -9.940   0.097
  911    HE1  HIS 113           HE1      HIS 113 -13.735  -7.146   2.596
  912    HE2  HIS 113           HE2      HIS 113 -13.738  -8.237   0.370
  913    H    LEU 114           HN       LEU 114 -20.563 -10.929   1.479
  914    HA   LEU 114           HA       LEU 114 -20.813 -13.506   2.743
  915    HB2  LEU 114           HB2      LEU 114 -22.819 -12.507   4.011
  916    HB3  LEU 114           HB1      LEU 114 -21.243 -12.056   4.606
  917    HG   LEU 114           HG       LEU 114 -21.579  -9.872   3.251
  918   HD11  LEU 114          HD11      LEU 114 -23.862  -9.131   2.937
  919   HD12  LEU 114          HD12      LEU 114 -24.454 -10.715   3.436
  920   HD13  LEU 114          HD13      LEU 114 -23.520 -10.558   1.950
  921   HD21  LEU 114          HD21      LEU 114 -22.788  -8.836   5.113
  922   HD22  LEU 114          HD22      LEU 114 -21.539  -9.950   5.667
  923   HD23  LEU 114          HD23      LEU 114 -23.234 -10.437   5.701
  924    H    LYS 115           HN       LYS 115 -23.853 -13.218   2.408
  925    HA   LYS 115           HA       LYS 115 -23.806 -12.401  -0.299
  926    HB2  LYS 115           HB2      LYS 115 -23.561 -14.903  -0.267
  927    HB3  LYS 115           HB1      LYS 115 -25.200 -14.963   0.373
  928    HG2  LYS 115           HG2      LYS 115 -25.314 -15.305  -1.999
  929    HG3  LYS 115           HG1      LYS 115 -25.990 -13.721  -1.632
  930    HD2  LYS 115           HD2      LYS 115 -23.094 -13.742  -2.276
  931    HD3  LYS 115           HD1      LYS 115 -24.142 -14.215  -3.597
  932    HE2  LYS 115           HE2      LYS 115 -23.719 -11.866  -3.842
  933    HE3  LYS 115           HE1      LYS 115 -25.370 -12.025  -3.292
  934    HZ1  LYS 115           HZ1      LYS 115 -23.127 -11.355  -1.431
  935    HZ2  LYS 115           HZ2      LYS 115 -24.783 -11.100  -1.170
  936    HZ3  LYS 115           HZ3      LYS 115 -23.921 -10.229  -2.346
  Start of MODEL   10
    1    H    GLU  10           HT1      GLU  10 -17.602   5.301   8.732
    2    HA   GLU  10           HA       GLU  10 -18.318   4.391   6.015
    3    HB2  GLU  10           HB2      GLU  10 -16.142   5.275   5.316
    4    HB3  GLU  10           HB1      GLU  10 -17.116   6.590   5.988
    5    HG2  GLU  10           HG2      GLU  10 -15.000   5.026   7.318
    6    HG3  GLU  10           HG1      GLU  10 -14.721   6.651   6.642
    7    H    GLU  11           HN       GLU  11 -16.870   3.752   8.978
    8    HA   GLU  11           HA       GLU  11 -14.960   1.991   8.865
    9    HB2  GLU  11           HB2      GLU  11 -15.957   0.958  10.855
   10    HB3  GLU  11           HB1      GLU  11 -16.109   2.701  10.887
   11    HG2  GLU  11           HG2      GLU  11 -18.317   0.670  10.377
   12    HG3  GLU  11           HG1      GLU  11 -18.153   1.739  11.762
   13    H    ASP  12           HN       ASP  12 -18.359   0.998   8.257
   14    HA   ASP  12           HA       ASP  12 -17.813  -1.754   7.860
   15    HB2  ASP  12           HB2      ASP  12 -20.044  -0.988   8.443
   16    HB3  ASP  12           HB1      ASP  12 -20.156  -0.061   6.954
   17    H    LEU  13           HN       LEU  13 -17.791   0.933   5.754
   18    HA   LEU  13           HA       LEU  13 -17.511  -0.668   3.305
   19    HB2  LEU  13           HB2      LEU  13 -17.331   2.372   3.326
   20    HB3  LEU  13           HB1      LEU  13 -17.594   1.280   2.051
   21    HG   LEU  13           HG       LEU  13 -19.869   0.732   2.833
   22   HD11  LEU  13          HD11      LEU  13 -20.983   2.150   4.471
   23   HD12  LEU  13          HD12      LEU  13 -19.455   2.957   4.822
   24   HD13  LEU  13          HD13      LEU  13 -19.656   1.247   5.206
   25   HD21  LEU  13          HD21      LEU  13 -20.876   2.843   2.139
   26   HD22  LEU  13          HD22      LEU  13 -19.503   2.406   1.121
   27   HD23  LEU  13          HD23      LEU  13 -19.324   3.653   2.357
   28    H    THR  14           HN       THR  14 -15.477   0.426   5.670
   29    HA   THR  14           HA       THR  14 -13.435   1.103   3.750
   30    HB   THR  14           HB       THR  14 -13.005   1.139   6.744
   31    HG1  THR  14           HG1      THR  14 -14.861   2.471   5.689
   32   HG21  THR  14          HG21      THR  14 -11.094   1.269   5.159
   33   HG22  THR  14          HG22      THR  14 -11.307   2.756   6.130
   34   HG23  THR  14          HG23      THR  14 -11.873   2.679   4.450
   35    H    GLU  15           HN       GLU  15 -14.157  -1.721   5.717
   36    HA   GLU  15           HA       GLU  15 -11.572  -2.812   5.925
   37    HB2  GLU  15           HB2      GLU  15 -14.176  -3.679   6.437
   38    HB3  GLU  15           HB1      GLU  15 -13.380  -4.967   5.544
   39    HG2  GLU  15           HG2      GLU  15 -12.376  -3.717   8.107
   40    HG3  GLU  15           HG1      GLU  15 -12.976  -5.363   7.896
   41    H    VAL  16           HN       VAL  16 -13.496  -2.581   3.236
   42    HA   VAL  16           HA       VAL  16 -12.574  -4.402   1.457
   43    HB   VAL  16           HB       VAL  16 -12.864  -2.575  -0.301
   44   HG11  VAL  16          HG11      VAL  16 -15.050  -3.135   1.705
   45   HG12  VAL  16          HG12      VAL  16 -14.632  -4.246   0.383
   46   HG13  VAL  16          HG13      VAL  16 -15.311  -2.672   0.026
   47   HG21  VAL  16          HG21      VAL  16 -13.918  -1.335   2.120
   48   HG22  VAL  16          HG22      VAL  16 -13.796  -0.548   0.515
   49   HG23  VAL  16          HG23      VAL  16 -12.344  -0.982   1.494
   50    H    LYS  17           HN       LYS  17 -10.898  -1.854   2.832
   51    HA   LYS  17           HA       LYS  17  -8.897  -0.846   1.417
   52    HB2  LYS  17           HB2      LYS  17  -9.363  -0.508   3.739
   53    HB3  LYS  17           HB1      LYS  17  -8.875  -2.139   4.109
   54    HG2  LYS  17           HG2      LYS  17  -6.574  -1.567   3.695
   55    HG3  LYS  17           HG1      LYS  17  -7.039   0.077   3.223
   56    HD2  LYS  17           HD2      LYS  17  -6.416   0.302   5.494
   57    HD3  LYS  17           HD1      LYS  17  -8.168   0.241   5.523
   58    HE2  LYS  17           HE2      LYS  17  -6.196  -1.897   6.387
   59    HE3  LYS  17           HE1      LYS  17  -7.403  -1.087   7.354
   60    HZ1  LYS  17           HZ1      LYS  17  -8.226  -3.306   6.943
   61    HZ2  LYS  17           HZ2      LYS  17  -7.711  -3.248   5.397
   62    HZ3  LYS  17           HZ3      LYS  17  -9.099  -2.384   5.842
   63    H    LYS  18           HN       LYS  18  -8.769  -4.219   2.703
   64    HA   LYS  18           HA       LYS  18  -6.152  -4.860   1.784
   65    HB2  LYS  18           HB2      LYS  18  -7.378  -6.147   3.512
   66    HB3  LYS  18           HB1      LYS  18  -8.507  -6.700   2.284
   67    HG2  LYS  18           HG2      LYS  18  -6.783  -7.940   1.160
   68    HG3  LYS  18           HG1      LYS  18  -5.550  -7.275   2.227
   69    HD2  LYS  18           HD2      LYS  18  -7.846  -9.008   3.158
   70    HD3  LYS  18           HD1      LYS  18  -6.245  -9.626   2.758
   71    HE2  LYS  18           HE2      LYS  18  -5.282  -8.150   4.510
   72    HE3  LYS  18           HE1      LYS  18  -6.913  -7.639   4.942
   73    HZ1  LYS  18           HZ1      LYS  18  -7.431  -9.912   5.603
   74    HZ2  LYS  18           HZ2      LYS  18  -5.971  -9.496   6.359
   75    HZ3  LYS  18           HZ3      LYS  18  -5.961 -10.457   5.027
   76    H    ASP  19           HN       ASP  19  -9.301  -4.840   0.305
   77    HA   ASP  19           HA       ASP  19  -8.490  -6.308  -2.069
   78    HB2  ASP  19           HB2      ASP  19 -11.212  -5.255  -1.271
   79    HB3  ASP  19           HB1      ASP  19 -10.876  -6.261  -2.679
   80    H    ALA  20           HN       ALA  20  -8.911  -3.094  -1.002
   81    HA   ALA  20           HA       ALA  20  -9.549  -1.617  -3.314
   82    HB1  ALA  20           HB1      ALA  20  -7.671  -0.737  -1.116
   83    HB2  ALA  20           HB2      ALA  20  -9.429  -0.642  -1.037
   84    HB3  ALA  20           HB3      ALA  20  -8.550   0.313  -2.230
   85    H    LEU  21           HN       LEU  21  -6.861  -3.321  -2.609
   86    HA   LEU  21           HA       LEU  21  -4.670  -2.461  -3.854
   87    HB2  LEU  21           HB2      LEU  21  -4.718  -4.530  -2.700
   88    HB3  LEU  21           HB1      LEU  21  -5.975  -5.165  -3.713
   89    HG   LEU  21           HG       LEU  21  -3.728  -6.270  -3.885
   90   HD11  LEU  21          HD11      LEU  21  -5.344  -6.636  -5.624
   91   HD12  LEU  21          HD12      LEU  21  -3.715  -6.545  -6.295
   92   HD13  LEU  21          HD13      LEU  21  -4.813  -5.174  -6.458
   93   HD21  LEU  21          HD21      LEU  21  -3.009  -3.777  -5.345
   94   HD22  LEU  21          HD22      LEU  21  -1.981  -5.224  -5.151
   95   HD23  LEU  21          HD23      LEU  21  -2.422  -4.233  -3.757
   96    H    GLU  22           HN       GLU  22  -7.611  -3.413  -5.465
   97    HA   GLU  22           HA       GLU  22  -7.272  -4.018  -8.060
   98    HB2  GLU  22           HB2      GLU  22  -9.424  -3.518  -6.987
   99    HB3  GLU  22           HB1      GLU  22  -9.011  -1.818  -6.917
  100    HG2  GLU  22           HG2      GLU  22  -8.898  -1.991  -9.511
  101    HG3  GLU  22           HG1      GLU  22  -9.832  -3.470  -9.280
  102    H    ASN  23           HN       ASN  23  -7.208  -0.757  -6.774
  103    HA   ASN  23           HA       ASN  23  -6.268   0.295  -9.303
  104    HB2  ASN  23           HB2      ASN  23  -6.972   1.809  -6.794
  105    HB3  ASN  23           HB1      ASN  23  -6.843   2.465  -8.433
  106   HD21  ASN  23          HD21      ASN  23  -8.454   1.796  -9.984
  107   HD22  ASN  23          HD22      ASN  23  -9.967   1.167  -9.453
  108    H    LEU  24           HN       LEU  24  -5.236   0.142  -5.962
  109    HA   LEU  24           HA       LEU  24  -3.114   1.924  -5.953
  110    HB2  LEU  24           HB2      LEU  24  -3.616  -0.479  -4.298
  111    HB3  LEU  24           HB1      LEU  24  -2.183   0.504  -4.083
  112    HG   LEU  24           HG       LEU  24  -3.690   2.472  -3.694
  113   HD11  LEU  24          HD11      LEU  24  -5.995   1.973  -3.018
  114   HD12  LEU  24          HD12      LEU  24  -5.747   0.358  -3.772
  115   HD13  LEU  24          HD13      LEU  24  -5.578   1.851  -4.734
  116   HD21  LEU  24          HD21      LEU  24  -2.627   1.310  -1.936
  117   HD22  LEU  24          HD22      LEU  24  -3.958   0.142  -1.846
  118   HD23  LEU  24          HD23      LEU  24  -4.233   1.849  -1.429
  119    H    ARG  25           HN       ARG  25  -2.845  -1.514  -6.605
  120    HA   ARG  25           HA       ARG  25  -0.005  -1.598  -6.746
  121    HB2  ARG  25           HB2      ARG  25  -1.427  -3.500  -6.401
  122    HB3  ARG  25           HB1      ARG  25  -2.135  -3.335  -8.006
  123    HG2  ARG  25           HG2      ARG  25   0.041  -3.941  -8.964
  124    HG3  ARG  25           HG1      ARG  25   0.712  -4.083  -7.329
  125    HD2  ARG  25           HD2      ARG  25  -1.074  -5.753  -6.816
  126    HD3  ARG  25           HD1      ARG  25  -1.552  -5.689  -8.505
  127    HE   ARG  25           HE       ARG  25   0.438  -6.730  -9.089
  128   HH11  ARG  25          HH11      ARG  25   0.054  -6.493  -5.498
  129   HH12  ARG  25          HH12      ARG  25   1.103  -7.815  -5.244
  130   HH21  ARG  25          HH21      ARG  25   1.859  -8.675  -8.496
  131   HH22  ARG  25          HH22      ARG  25   2.047  -8.929  -6.792
  132    H    VAL  26           HN       VAL  26  -2.452  -0.570  -8.967
  133    HA   VAL  26           HA       VAL  26  -0.694  -0.673 -11.262
  134    HB   VAL  26           HB       VAL  26  -3.576   0.236 -11.108
  135   HG11  VAL  26          HG11      VAL  26  -3.573  -0.024 -13.552
  136   HG12  VAL  26          HG12      VAL  26  -1.849  -0.396 -13.501
  137   HG13  VAL  26          HG13      VAL  26  -2.419   1.200 -13.017
  138   HG21  VAL  26          HG21      VAL  26  -3.369  -2.122 -10.532
  139   HG22  VAL  26          HG22      VAL  26  -2.421  -2.412 -11.990
  140   HG23  VAL  26          HG23      VAL  26  -4.117  -1.942 -12.121
  141    H    TYR  27           HN       TYR  27  -2.778   1.866  -9.800
  142    HA   TYR  27           HA       TYR  27  -1.407   3.867 -11.395
  143    HB2  TYR  27           HB2      TYR  27  -3.124   5.375 -10.943
  144    HB3  TYR  27           HB1      TYR  27  -3.944   3.825 -10.928
  145    HD1  TYR  27           HD2      TYR  27  -3.510   2.829  -8.224
  146    HD2  TYR  27           HD1      TYR  27  -4.210   6.821  -9.495
  147    HE1  TYR  27           HE2      TYR  27  -4.375   3.348  -6.037
  148    HE2  TYR  27           HE1      TYR  27  -5.093   7.371  -7.264
  149    HH   TYR  27           HH       TYR  27  -6.186   6.027  -5.322
  150    H    LEU  28           HN       LEU  28  -0.974   2.744  -8.192
  151    HA   LEU  28           HA       LEU  28  -0.048   5.323  -7.242
  152    HB2  LEU  28           HB2      LEU  28  -0.753   2.765  -5.994
  153    HB3  LEU  28           HB1      LEU  28   0.456   3.739  -5.107
  154    HG   LEU  28           HG       LEU  28  -2.502   4.038  -5.600
  155   HD11  LEU  28          HD11      LEU  28  -1.691   2.922  -3.619
  156   HD12  LEU  28          HD12      LEU  28  -2.571   4.409  -3.267
  157   HD13  LEU  28          HD13      LEU  28  -0.814   4.384  -3.165
  158   HD21  LEU  28          HD21      LEU  28  -2.376   6.310  -4.736
  159   HD22  LEU  28          HD22      LEU  28  -1.630   6.171  -6.318
  160   HD23  LEU  28          HD23      LEU  28  -0.616   6.270  -4.867
  161    H    CYS  29           HN       CYS  29   1.332   2.773  -8.811
  162    HA   CYS  29           HA       CYS  29   3.534   1.870  -7.592
  163    HB2  CYS  29           HB2      CYS  29   4.542   1.636  -9.869
  164    HB3  CYS  29           HB1      CYS  29   2.915   0.998  -9.656
  165    HG   CYS  29           HG       CYS  29   2.635   4.117 -10.726
  166    H    GLU  30           HN       GLU  30   3.761   4.893  -9.531
  167    HA   GLU  30           HA       GLU  30   6.501   5.186  -8.639
  168    HB2  GLU  30           HB2      GLU  30   6.139   7.293 -10.342
  169    HB3  GLU  30           HB1      GLU  30   6.763   5.724 -10.800
  170    HG2  GLU  30           HG2      GLU  30   5.023   6.617 -12.336
  171    HG3  GLU  30           HG1      GLU  30   4.631   5.045 -11.656
  172    H    LYS  31           HN       LYS  31   3.617   6.140  -7.501
  173    HA   LYS  31           HA       LYS  31   4.715   8.657  -6.388
  174    HB2  LYS  31           HB2      LYS  31   1.818   7.900  -6.870
  175    HB3  LYS  31           HB1      LYS  31   2.364   9.378  -6.108
  176    HG2  LYS  31           HG2      LYS  31   3.397  10.142  -8.137
  177    HG3  LYS  31           HG1      LYS  31   3.067   8.605  -8.934
  178    HD2  LYS  31           HD2      LYS  31   0.944  10.498  -7.904
  179    HD3  LYS  31           HD1      LYS  31   1.492  10.428  -9.577
  180    HE2  LYS  31           HE2      LYS  31   0.237   8.116  -8.069
  181    HE3  LYS  31           HE1      LYS  31  -0.607   9.176  -9.184
  182    HZ1  LYS  31           HZ1      LYS  31   0.671   8.345 -10.997
  183    HZ2  LYS  31           HZ2      LYS  31   0.286   6.943 -10.099
  184    HZ3  LYS  31           HZ3      LYS  31   1.776   7.619 -10.020
  185    H    ILE  32           HN       ILE  32   4.798   5.786  -5.611
  186    HA   ILE  32           HA       ILE  32   3.552   6.021  -3.004
  187    HB   ILE  32           HB       ILE  32   2.432   4.295  -4.639
  188   HG12  ILE  32          HG12      ILE  32   3.380   3.152  -2.051
  189   HG13  ILE  32          HG11      ILE  32   2.152   4.433  -2.065
  190   HG21  ILE  32          HG21      ILE  32   4.896   2.740  -3.818
  191   HG22  ILE  32          HG22      ILE  32   4.458   3.192  -5.467
  192   HG23  ILE  32          HG23      ILE  32   3.477   2.025  -4.568
  193   HD11  ILE  32          HD11      ILE  32   0.716   2.853  -3.343
  194   HD12  ILE  32          HD12      ILE  32   1.148   2.293  -1.742
  195   HD13  ILE  32          HD13      ILE  32   1.970   1.618  -3.161
  196    H    ILE  33           HN       ILE  33   4.406   4.417  -1.581
  197    HA   ILE  33           HA       ILE  33   6.960   4.704  -0.771
  198    HB   ILE  33           HB       ILE  33   5.061   4.118   0.581
  199   HG12  ILE  33          HG12      ILE  33   6.107   2.521   2.185
  200   HG13  ILE  33          HG11      ILE  33   7.325   2.128   0.984
  201   HG21  ILE  33          HG21      ILE  33   3.728   2.576  -0.343
  202   HG22  ILE  33          HG22      ILE  33   4.624   1.493   0.734
  203   HG23  ILE  33          HG23      ILE  33   5.080   1.648  -0.970
  204   HD11  ILE  33          HD11      ILE  33   8.151   3.716   2.623
  205   HD12  ILE  33          HD12      ILE  33   6.858   4.837   2.199
  206   HD13  ILE  33          HD13      ILE  33   8.102   4.434   1.015
  207    H    ALA  34           HN       ALA  34   7.145   1.451  -0.526
  208    HA   ALA  34           HA       ALA  34   9.630   1.392  -0.488
  209    HB1  ALA  34           HB1      ALA  34   9.709  -0.856  -1.347
  210    HB2  ALA  34           HB2      ALA  34   7.953  -0.658  -1.651
  211    HB3  ALA  34           HB3      ALA  34   8.604  -0.501  -0.008
  212    H    GLU  35           HN       GLU  35   8.700   2.123  -3.752
  213    HA   GLU  35           HA       GLU  35  11.273   1.163  -4.366
  214    HB2  GLU  35           HB2      GLU  35   9.893   1.561  -6.284
  215    HB3  GLU  35           HB1      GLU  35   9.546   3.207  -5.800
  216    HG2  GLU  35           HG2      GLU  35  11.131   3.183  -7.714
  217    HG3  GLU  35           HG1      GLU  35  11.799   3.957  -6.288
  218    H    ARG  36           HN       ARG  36   9.680   3.915  -3.272
  219    HA   ARG  36           HA       ARG  36  11.714   5.688  -2.576
  220    HB2  ARG  36           HB2      ARG  36   8.934   5.299  -1.521
  221    HB3  ARG  36           HB1      ARG  36  10.021   6.530  -0.896
  222    HG2  ARG  36           HG2      ARG  36  10.274   7.465  -3.129
  223    HG3  ARG  36           HG1      ARG  36   9.157   6.251  -3.756
  224    HD2  ARG  36           HD2      ARG  36   8.186   8.445  -3.328
  225    HD3  ARG  36           HD1      ARG  36   7.366   7.138  -2.455
  226    HE   ARG  36           HE       ARG  36   9.426   8.406  -0.928
  227   HH11  ARG  36          HH11      ARG  36   5.983   8.742  -1.837
  228   HH12  ARG  36          HH12      ARG  36   5.663   9.640  -0.395
  229   HH21  ARG  36          HH21      ARG  36   8.850   9.612   0.918
  230   HH22  ARG  36          HH22      ARG  36   7.172  10.105   1.075
  231    H    HIS  37           HN       HIS  37  11.480   2.691  -1.539
  232    HA   HIS  37           HA       HIS  37  10.909   2.244   1.098
  233    HB2  HIS  37           HB2      HIS  37  12.284   0.239   1.017
  234    HB3  HIS  37           HB1      HIS  37  11.359   0.442  -0.458
  235    HD1  HIS  37           HD1      HIS  37  12.863   1.234  -2.670
  236    HD2  HIS  37           HD2      HIS  37  14.999  -0.070   0.669
  237    HE1  HIS  37           HE1      HIS  37  15.122   0.780  -3.483
  238    HE2  HIS  37           HE2      HIS  37  16.149  -0.477  -1.618
  239    H    PHE  38           HN       PHE  38  13.728   4.014   0.239
  240    HA   PHE  38           HA       PHE  38  14.993   3.116   2.670
  241    HB2  PHE  38           HB2      PHE  38  16.257   3.426   0.447
  242    HB3  PHE  38           HB1      PHE  38  16.174   5.151   0.800
  243    HD1  PHE  38           HD2      PHE  38  17.133   1.929   2.412
  244    HD2  PHE  38           HD1      PHE  38  17.893   6.109   2.025
  245    HE1  PHE  38           HE2      PHE  38  19.097   1.707   3.874
  246    HE2  PHE  38           HE1      PHE  38  19.854   5.888   3.496
  247    HZ   PHE  38           HZ       PHE  38  20.458   3.686   4.420
  248    H    ASP  39           HN       ASP  39  12.855   5.576   1.662
  249    HA   ASP  39           HA       ASP  39  13.813   7.381   3.704
  250    HB2  ASP  39           HB2      ASP  39  12.459   9.118   2.787
  251    HB3  ASP  39           HB1      ASP  39  13.103   8.252   1.412
  252    H    HIS  40           HN       HIS  40  10.558   6.170   3.003
  253    HA   HIS  40           HA       HIS  40   9.758   6.857   5.707
  254    HB2  HIS  40           HB2      HIS  40   8.278   6.275   3.224
  255    HB3  HIS  40           HB1      HIS  40   7.454   6.015   4.749
  256    HD1  HIS  40           HD1      HIS  40   9.267   8.869   2.906
  257    HD2  HIS  40           HD2      HIS  40   6.270   8.224   5.714
  258    HE1  HIS  40           HE1      HIS  40   8.278  11.091   3.360
  259    HE2  HIS  40           HE2      HIS  40   6.150  10.403   4.393
  260    H    LEU  41           HN       LEU  41  10.616   3.807   4.316
  261    HA   LEU  41           HA       LEU  41   8.530   2.373   5.461
  262    HB2  LEU  41           HB2      LEU  41  11.009   1.425   4.253
  263    HB3  LEU  41           HB1      LEU  41  10.123   0.299   5.262
  264    HG   LEU  41           HG       LEU  41   9.014   1.731   2.839
  265   HD11  LEU  41          HD11      LEU  41  10.609   0.024   2.310
  266   HD12  LEU  41          HD12      LEU  41   8.942  -0.517   1.949
  267   HD13  LEU  41          HD13      LEU  41   9.768  -1.078   3.413
  268   HD21  LEU  41          HD21      LEU  41   7.232   1.333   4.498
  269   HD22  LEU  41          HD22      LEU  41   7.783  -0.332   4.665
  270   HD23  LEU  41          HD23      LEU  41   7.084   0.207   3.150
  271    H    ARG  42           HN       ARG  42  10.977   3.527   7.361
  272    HA   ARG  42           HA       ARG  42  10.557   1.461   9.392
  273    HB2  ARG  42           HB2      ARG  42  12.093   4.053   9.444
  274    HB3  ARG  42           HB1      ARG  42  11.764   3.180  10.954
  275    HG2  ARG  42           HG2      ARG  42  13.942   2.621  10.252
  276    HG3  ARG  42           HG1      ARG  42  12.946   1.236   9.808
  277    HD2  ARG  42           HD2      ARG  42  14.413   1.753   7.962
  278    HD3  ARG  42           HD1      ARG  42  12.762   2.161   7.533
  279    HE   ARG  42           HE       ARG  42  13.866   4.438   8.616
  280   HH11  ARG  42          HH11      ARG  42  14.471   2.406   5.760
  281   HH12  ARG  42          HH12      ARG  42  15.001   3.737   4.823
  282   HH21  ARG  42          HH21      ARG  42  14.617   6.232   7.230
  283   HH22  ARG  42          HH22      ARG  42  15.046   5.859   5.628
  284    H    ALA  43           HN       ALA  43   8.668   3.734   8.189
  285    HA   ALA  43           HA       ALA  43   7.215   4.721  10.371
  286    HB1  ALA  43           HB1      ALA  43   6.929   5.545   8.110
  287    HB2  ALA  43           HB2      ALA  43   5.381   4.848   8.641
  288    HB3  ALA  43           HB3      ALA  43   6.467   3.943   7.575
  289    H    LYS  44           HN       LYS  44   6.807   1.837   8.303
  290    HA   LYS  44           HA       LYS  44   4.566   0.927   9.958
  291    HB2  LYS  44           HB2      LYS  44   5.758  -0.279   7.472
  292    HB3  LYS  44           HB1      LYS  44   4.259  -0.737   8.238
  293    HG2  LYS  44           HG2      LYS  44   4.640   2.034   7.173
  294    HG3  LYS  44           HG1      LYS  44   4.225   0.708   6.100
  295    HD2  LYS  44           HD2      LYS  44   2.183   1.737   6.658
  296    HD3  LYS  44           HD1      LYS  44   2.247   0.277   7.627
  297    HE2  LYS  44           HE2      LYS  44   2.826   1.584   9.592
  298    HE3  LYS  44           HE1      LYS  44   2.909   3.057   8.613
  299    HZ1  LYS  44           HZ1      LYS  44   0.526   2.456   8.017
  300    HZ2  LYS  44           HZ2      LYS  44   0.825   3.191   9.450
  301    HZ3  LYS  44           HZ3      LYS  44   0.530   1.492   9.410
  302    H    LYS  45           HN       LYS  45   7.918   0.198   9.299
  303    HA   LYS  45           HA       LYS  45   9.396  -1.387  10.051
  304    HB2  LYS  45           HB2      LYS  45   7.513  -1.545  12.397
  305    HB3  LYS  45           HB1      LYS  45   9.222  -1.965  12.389
  306    HG2  LYS  45           HG2      LYS  45   9.808   0.369  11.950
  307    HG3  LYS  45           HG1      LYS  45   8.106   0.759  11.862
  308    HD2  LYS  45           HD2      LYS  45   7.785  -0.078  14.127
  309    HD3  LYS  45           HD1      LYS  45   9.532  -0.253  14.301
  310    HE2  LYS  45           HE2      LYS  45   8.714   1.884  15.269
  311    HE3  LYS  45           HE1      LYS  45   9.847   2.131  13.940
  312    HZ1  LYS  45           HZ1      LYS  45   8.090   2.651  12.481
  313    HZ2  LYS  45           HZ2      LYS  45   7.833   3.596  13.852
  314    HZ3  LYS  45           HZ3      LYS  45   6.891   2.212  13.575
  315    H    ILE  46           HN       ILE  46   7.167  -2.292   8.452
  316    HA   ILE  46           HA       ILE  46   6.084  -4.698   9.561
  317    HB   ILE  46           HB       ILE  46   4.635  -3.293   8.346
  318   HG12  ILE  46          HG12      ILE  46   5.100  -5.684   6.605
  319   HG13  ILE  46          HG11      ILE  46   4.311  -5.756   8.186
  320   HG21  ILE  46          HG21      ILE  46   6.188  -3.723   5.831
  321   HG22  ILE  46          HG22      ILE  46   6.297  -2.260   6.823
  322   HG23  ILE  46          HG23      ILE  46   4.756  -2.722   6.079
  323   HD11  ILE  46          HD11      ILE  46   3.417  -4.058   5.897
  324   HD12  ILE  46          HD12      ILE  46   2.688  -4.300   7.499
  325   HD13  ILE  46          HD13      ILE  46   2.732  -5.654   6.339
  326    H    LEU  47           HN       LEU  47   8.943  -4.061   7.790
  327    HA   LEU  47           HA       LEU  47   9.061  -6.921   7.100
  328    HB2  LEU  47           HB2      LEU  47  10.494  -4.797   5.518
  329    HB3  LEU  47           HB1      LEU  47  10.410  -6.500   5.168
  330    HG   LEU  47           HG       LEU  47   9.102  -5.618   3.597
  331   HD11  LEU  47          HD11      LEU  47   7.170  -6.267   5.778
  332   HD12  LEU  47          HD12      LEU  47   7.806  -7.336   4.521
  333   HD13  LEU  47          HD13      LEU  47   6.718  -6.013   4.096
  334   HD21  LEU  47          HD21      LEU  47   7.452  -3.758   3.954
  335   HD22  LEU  47          HD22      LEU  47   9.149  -3.347   4.153
  336   HD23  LEU  47          HD23      LEU  47   8.142  -3.579   5.576
  337    H    SER  48           HN       SER  48  11.293  -7.648   6.830
  338    HA   SER  48           HA       SER  48  13.071  -6.322   8.718
  339    HB2  SER  48           HB2      SER  48  12.487  -8.709   9.251
  340    HB3  SER  48           HB1      SER  48  13.158  -9.195   7.698
  341    HG   SER  48           HG       SER  48  15.102  -9.165   8.589
  342    H    ARG  49           HN       ARG  49  15.397  -7.091   7.945
  343    HA   ARG  49           HA       ARG  49  16.251  -5.298   5.932
  344    HB2  ARG  49           HB2      ARG  49  17.679  -7.773   6.618
  345    HB3  ARG  49           HB1      ARG  49  18.363  -6.222   6.197
  346    HG2  ARG  49           HG2      ARG  49  17.938  -5.335   8.334
  347    HG3  ARG  49           HG1      ARG  49  16.834  -6.648   8.759
  348    HD2  ARG  49           HD2      ARG  49  19.784  -6.887   8.261
  349    HD3  ARG  49           HD1      ARG  49  18.991  -6.991   9.842
  350    HE   ARG  49           HE       ARG  49  17.846  -8.913   8.117
  351   HH11  ARG  49          HH11      ARG  49  20.852  -8.416   9.899
  352   HH12  ARG  49          HH12      ARG  49  21.296 -10.066   9.874
  353   HH21  ARG  49          HH21      ARG  49  18.430 -11.092   8.010
  354   HH22  ARG  49          HH22      ARG  49  19.832 -11.677   8.752
  355    H    GLU  50           HN       GLU  50  15.656  -8.687   5.951
  356    HA   GLU  50           HA       GLU  50  17.072  -9.787   4.000
  357    HB2  GLU  50           HB2      GLU  50  14.278 -10.788   4.116
  358    HB3  GLU  50           HB1      GLU  50  15.788 -11.669   4.142
  359    HG2  GLU  50           HG2      GLU  50  14.349 -10.328   6.415
  360    HG3  GLU  50           HG1      GLU  50  14.815 -12.012   6.253
  361    H    ASP  51           HN       ASP  51  13.656  -8.984   3.218
  362    HA   ASP  51           HA       ASP  51  14.430  -9.282   0.443
  363    HB2  ASP  51           HB2      ASP  51  12.290 -10.306   1.324
  364    HB3  ASP  51           HB1      ASP  51  11.638  -8.673   1.431
  365    H    THR  52           HN       THR  52  13.526  -6.667   2.621
  366    HA   THR  52           HA       THR  52  13.023  -4.661   0.742
  367    HB   THR  52           HB       THR  52  14.331  -4.379   3.482
  368    HG1  THR  52           HG1      THR  52  11.648  -4.713   2.629
  369   HG21  THR  52          HG21      THR  52  13.226  -2.161   3.556
  370   HG22  THR  52          HG22      THR  52  12.548  -2.416   1.967
  371   HG23  THR  52          HG23      THR  52  14.295  -2.222   2.160
  372    H    ARG  53           HN       ARG  53  15.990  -6.077   1.848
  373    HA   ARG  53           HA       ARG  53  17.883  -4.314   0.663
  374    HB2  ARG  53           HB2      ARG  53  18.463  -6.064   2.310
  375    HB3  ARG  53           HB1      ARG  53  17.990  -7.295   1.152
  376    HG2  ARG  53           HG2      ARG  53  19.805  -6.103  -0.348
  377    HG3  ARG  53           HG1      ARG  53  20.430  -5.600   1.226
  378    HD2  ARG  53           HD2      ARG  53  21.509  -7.655   0.656
  379    HD3  ARG  53           HD1      ARG  53  20.336  -8.007   1.927
  380    HE   ARG  53           HE       ARG  53  19.712  -8.456  -0.918
  381   HH11  ARG  53          HH11      ARG  53  19.840  -9.717   2.382
  382   HH12  ARG  53          HH12      ARG  53  19.164 -11.231   2.002
  383   HH21  ARG  53          HH21      ARG  53  18.820 -10.545  -1.491
  384   HH22  ARG  53          HH22      ARG  53  18.550 -11.710  -0.298
  385    H    GLU  54           HN       GLU  54  16.345  -7.330  -0.315
  386    HA   GLU  54           HA       GLU  54  17.759  -7.665  -2.715
  387    HB2  GLU  54           HB2      GLU  54  16.768  -9.467  -1.301
  388    HB3  GLU  54           HB1      GLU  54  15.185  -8.989  -1.895
  389    HG2  GLU  54           HG2      GLU  54  16.196 -10.939  -3.061
  390    HG3  GLU  54           HG1      GLU  54  15.756  -9.591  -4.122
  391    H    ILE  55           HN       ILE  55  14.672  -6.176  -1.983
  392    HA   ILE  55           HA       ILE  55  13.685  -6.034  -4.607
  393    HB   ILE  55           HB       ILE  55  12.064  -4.336  -3.853
  394   HG12  ILE  55          HG12      ILE  55  13.911  -3.679  -1.545
  395   HG13  ILE  55          HG11      ILE  55  13.865  -2.724  -3.020
  396   HG21  ILE  55          HG21      ILE  55  11.707  -6.370  -2.824
  397   HG22  ILE  55          HG22      ILE  55  11.358  -5.005  -1.743
  398   HG23  ILE  55          HG23      ILE  55  12.826  -5.944  -1.529
  399   HD11  ILE  55          HD11      ILE  55  12.542  -1.721  -1.240
  400   HD12  ILE  55          HD12      ILE  55  11.543  -3.172  -1.150
  401   HD13  ILE  55          HD13      ILE  55  11.536  -2.175  -2.609
  402    H    SER  56           HN       SER  56  16.207  -4.322  -3.048
  403    HA   SER  56           HA       SER  56  16.322  -2.145  -4.934
  404    HB2  SER  56           HB2      SER  56  18.420  -2.966  -2.930
  405    HB3  SER  56           HB1      SER  56  18.133  -1.362  -3.609
  406    HG   SER  56           HG       SER  56  16.684  -2.782  -1.666
  407    H    CYS  57           HN       CYS  57  17.671  -5.348  -4.578
  408    HA   CYS  57           HA       CYS  57  19.917  -4.744  -6.305
  409    HB2  CYS  57           HB2      CYS  57  19.182  -7.312  -4.905
  410    HB3  CYS  57           HB1      CYS  57  20.697  -6.979  -5.734
  411    HG   CYS  57           HG       CYS  57  20.588  -4.574  -3.740
  412    H    ARG  58           HN       ARG  58  17.648  -7.538  -6.253
  413    HA   ARG  58           HA       ARG  58  18.020  -7.684  -9.120
  414    HB2  ARG  58           HB2      ARG  58  17.302  -9.665  -7.066
  415    HB3  ARG  58           HB1      ARG  58  16.557  -9.893  -8.638
  416    HG2  ARG  58           HG2      ARG  58  18.628 -11.180  -8.412
  417    HG3  ARG  58           HG1      ARG  58  18.738  -9.990  -9.698
  418    HD2  ARG  58           HD2      ARG  58  20.815 -10.062  -8.454
  419    HD3  ARG  58           HD1      ARG  58  20.020  -8.515  -8.183
  420    HE   ARG  58           HE       ARG  58  19.162  -9.743  -6.060
  421   HH11  ARG  58          HH11      ARG  58  22.415  -9.959  -7.417
  422   HH12  ARG  58          HH12      ARG  58  23.172 -10.299  -5.925
  423   HH21  ARG  58          HH21      ARG  58  20.120 -10.200  -4.076
  424   HH22  ARG  58          HH22      ARG  58  21.799 -10.445  -3.914
  425    H    THR  59           HN       THR  59  15.790  -6.189  -7.275
  426    HA   THR  59           HA       THR  59  13.631  -6.876  -9.120
  427    HB   THR  59           HB       THR  59  13.456  -5.210  -6.592
  428    HG1  THR  59           HG1      THR  59  14.056  -7.642  -6.678
  429   HG21  THR  59          HG21      THR  59  11.056  -5.729  -6.735
  430   HG22  THR  59          HG22      THR  59  11.336  -6.621  -8.230
  431   HG23  THR  59          HG23      THR  59  11.598  -4.878  -8.182
  432    H    SER  60           HN       SER  60  12.921  -5.487 -10.646
  433    HA   SER  60           HA       SER  60  14.423  -3.161 -11.294
  434    HB2  SER  60           HB2      SER  60  11.805  -4.129 -12.437
  435    HB3  SER  60           HB1      SER  60  12.989  -3.080 -13.221
  436    HG   SER  60           HG       SER  60  14.378  -5.143 -12.577
  437    H    SER  61           HN       SER  61  13.644  -0.973 -11.398
  438    HA   SER  61           HA       SER  61  12.796   0.185  -9.223
  439    HB2  SER  61           HB2      SER  61  12.235   1.161 -12.001
  440    HB3  SER  61           HB1      SER  61  12.417   2.154 -10.549
  441    HG   SER  61           HG       SER  61  14.448   1.594 -10.373
  442    H    ARG  62           HN       ARG  62  10.363  -0.103 -11.893
  443    HA   ARG  62           HA       ARG  62   8.305   0.898 -10.219
  444    HB2  ARG  62           HB2      ARG  62   8.195   0.955 -12.733
  445    HB3  ARG  62           HB1      ARG  62   7.867  -0.775 -12.712
  446    HG2  ARG  62           HG2      ARG  62   5.839  -0.345 -11.363
  447    HG3  ARG  62           HG1      ARG  62   6.155   1.381 -11.484
  448    HD2  ARG  62           HD2      ARG  62   5.949   1.207 -13.946
  449    HD3  ARG  62           HD1      ARG  62   5.548  -0.504 -13.764
  450    HE   ARG  62           HE       ARG  62   3.929   1.441 -12.320
  451   HH11  ARG  62          HH11      ARG  62   4.113  -0.741 -15.098
  452   HH12  ARG  62          HH12      ARG  62   2.430  -0.792 -15.357
  453   HH21  ARG  62          HH21      ARG  62   1.629   1.381 -12.636
  454   HH22  ARG  62          HH22      ARG  62   0.958   0.475 -13.892
  455    H    LYS  63           HN       LYS  63   9.554  -2.271 -10.668
  456    HA   LYS  63           HA       LYS  63   7.276  -3.445  -9.437
  457    HB2  LYS  63           HB2      LYS  63   8.341  -4.800 -11.162
  458    HB3  LYS  63           HB1      LYS  63   9.870  -4.758 -10.300
  459    HG2  LYS  63           HG2      LYS  63   8.654  -6.927 -10.069
  460    HG3  LYS  63           HG1      LYS  63   8.987  -6.140  -8.528
  461    HD2  LYS  63           HD2      LYS  63   6.622  -5.239  -8.578
  462    HD3  LYS  63           HD1      LYS  63   6.333  -6.251  -9.999
  463    HE2  LYS  63           HE2      LYS  63   6.674  -8.162  -8.748
  464    HE3  LYS  63           HE1      LYS  63   7.302  -7.287  -7.348
  465    HZ1  LYS  63           HZ1      LYS  63   4.471  -7.237  -8.346
  466    HZ2  LYS  63           HZ2      LYS  63   5.073  -6.301  -7.065
  467    HZ3  LYS  63           HZ3      LYS  63   5.010  -7.900  -6.893
  468    H    ARG  64           HN       ARG  64  10.313  -2.172  -8.391
  469    HA   ARG  64           HA       ARG  64  10.638  -3.536  -5.976
  470    HB2  ARG  64           HB2      ARG  64  11.201  -0.639  -6.556
  471    HB3  ARG  64           HB1      ARG  64  11.755  -1.498  -5.130
  472    HG2  ARG  64           HG2      ARG  64  13.016  -3.020  -6.565
  473    HG3  ARG  64           HG1      ARG  64  12.495  -2.090  -7.975
  474    HD2  ARG  64           HD2      ARG  64  13.517  -0.110  -7.045
  475    HD3  ARG  64           HD1      ARG  64  14.025  -1.021  -5.630
  476    HE   ARG  64           HE       ARG  64  15.194  -2.423  -7.449
  477   HH11  ARG  64          HH11      ARG  64  14.743   1.072  -7.518
  478   HH12  ARG  64          HH12      ARG  64  16.292   1.475  -8.049
  479   HH21  ARG  64          HH21      ARG  64  17.396  -1.956  -8.212
  480   HH22  ARG  64          HH22      ARG  64  17.886  -0.350  -8.507
  481    H    ALA  65           HN       ALA  65   8.782  -0.571  -6.589
  482    HA   ALA  65           HA       ALA  65   7.860  -0.378  -3.995
  483    HB1  ALA  65           HB1      ALA  65   6.434   0.648  -6.461
  484    HB2  ALA  65           HB2      ALA  65   7.694   1.494  -5.551
  485    HB3  ALA  65           HB3      ALA  65   6.149   1.141  -4.783
  486    H    GLY  66           HN       GLY  66   6.557  -1.850  -6.896
  487    HA2  GLY  66           HA2      GLY  66   4.060  -2.753  -5.893
  488    HA3  GLY  66           HA1      GLY  66   4.854  -3.303  -7.347
  489    H    LYS  67           HN       LYS  67   7.216  -4.032  -5.582
  490    HA   LYS  67           HA       LYS  67   6.572  -6.793  -5.135
  491    HB2  LYS  67           HB2      LYS  67   8.802  -6.161  -5.893
  492    HB3  LYS  67           HB1      LYS  67   9.018  -5.112  -4.510
  493    HG2  LYS  67           HG2      LYS  67  10.329  -7.035  -4.124
  494    HG3  LYS  67           HG1      LYS  67   8.926  -7.160  -3.065
  495    HD2  LYS  67           HD2      LYS  67   7.904  -8.697  -4.743
  496    HD3  LYS  67           HD1      LYS  67   9.418  -8.636  -5.649
  497    HE2  LYS  67           HE2      LYS  67   8.995  -9.713  -2.849
  498    HE3  LYS  67           HE1      LYS  67   9.445 -10.616  -4.286
  499    HZ1  LYS  67           HZ1      LYS  67  11.384 -10.253  -2.871
  500    HZ2  LYS  67           HZ2      LYS  67  11.099  -8.710  -2.730
  501    HZ3  LYS  67           HZ3      LYS  67  11.634  -9.290  -4.244
  502    H    LEU  68           HN       LEU  68   7.176  -3.945  -3.219
  503    HA   LEU  68           HA       LEU  68   7.140  -5.002  -0.645
  504    HB2  LEU  68           HB2      LEU  68   7.777  -2.926  -0.753
  505    HB3  LEU  68           HB1      LEU  68   6.477  -2.348  -1.818
  506    HG   LEU  68           HG       LEU  68   5.061  -2.932   0.375
  507   HD11  LEU  68          HD11      LEU  68   6.659  -3.824   1.650
  508   HD12  LEU  68          HD12      LEU  68   6.231  -2.239   2.337
  509   HD13  LEU  68          HD13      LEU  68   7.759  -2.444   1.444
  510   HD21  LEU  68          HD21      LEU  68   5.187  -0.660   1.101
  511   HD22  LEU  68          HD22      LEU  68   5.167  -0.720  -0.663
  512   HD23  LEU  68          HD23      LEU  68   6.667  -0.411   0.199
  513    H    LEU  69           HN       LEU  69   4.619  -3.817  -2.686
  514    HA   LEU  69           HA       LEU  69   2.571  -3.866  -0.822
  515    HB2  LEU  69           HB2      LEU  69   2.039  -4.297  -3.783
  516    HB3  LEU  69           HB1      LEU  69   1.106  -3.435  -2.604
  517    HG   LEU  69           HG       LEU  69   3.599  -2.492  -3.991
  518   HD11  LEU  69          HD11      LEU  69   1.598  -2.223  -5.222
  519   HD12  LEU  69          HD12      LEU  69   2.355  -0.701  -4.775
  520   HD13  LEU  69          HD13      LEU  69   0.922  -1.238  -3.915
  521   HD21  LEU  69          HD21      LEU  69   3.868  -1.856  -1.612
  522   HD22  LEU  69          HD22      LEU  69   2.272  -1.115  -1.624
  523   HD23  LEU  69          HD23      LEU  69   3.568  -0.450  -2.623
  524    H    ASP  70           HN       ASP  70   3.995  -6.373  -2.780
  525    HA   ASP  70           HA       ASP  70   1.996  -8.366  -2.420
  526    HB2  ASP  70           HB2      ASP  70   4.936  -8.651  -3.130
  527    HB3  ASP  70           HB1      ASP  70   3.832 -10.004  -3.027
  528    H    TYR  71           HN       TYR  71   5.218  -7.927  -1.089
  529    HA   TYR  71           HA       TYR  71   5.008 -10.167   0.554
  530    HB2  TYR  71           HB2      TYR  71   7.224  -9.553   1.527
  531    HB3  TYR  71           HB1      TYR  71   7.176  -9.780  -0.205
  532    HD1  TYR  71           HD1      TYR  71   6.839  -6.831   2.199
  533    HD2  TYR  71           HD2      TYR  71   8.639  -8.351  -1.354
  534    HE1  TYR  71           HE1      TYR  71   8.218  -4.858   2.022
  535    HE2  TYR  71           HE2      TYR  71   9.983  -6.286  -1.519
  536    HH   TYR  71           HH       TYR  71   9.948  -4.054  -0.745
  537    H    LEU  72           HN       LEU  72   3.648  -7.298   1.277
  538    HA   LEU  72           HA       LEU  72   4.539  -6.502   3.792
  539    HB2  LEU  72           HB2      LEU  72   1.840  -6.398   2.599
  540    HB3  LEU  72           HB1      LEU  72   2.319  -5.542   4.045
  541    HG   LEU  72           HG       LEU  72   3.788  -5.174   1.470
  542   HD11  LEU  72          HD11      LEU  72   1.385  -4.731   1.116
  543   HD12  LEU  72          HD12      LEU  72   2.357  -3.266   1.081
  544   HD13  LEU  72          HD13      LEU  72   1.405  -3.660   2.514
  545   HD21  LEU  72          HD21      LEU  72   4.811  -4.423   3.505
  546   HD22  LEU  72          HD22      LEU  72   3.288  -3.601   3.902
  547   HD23  LEU  72          HD23      LEU  72   4.236  -3.073   2.492
  548    H    GLN  73           HN       GLN  73   1.173  -7.842   3.709
  549    HA   GLN  73           HA       GLN  73   1.822  -8.559   6.453
  550    HB2  GLN  73           HB2      GLN  73  -0.687  -8.514   6.865
  551    HB3  GLN  73           HB1      GLN  73   0.158  -7.003   6.536
  552    HG2  GLN  73           HG2      GLN  73  -0.653  -7.062   4.189
  553    HG3  GLN  73           HG1      GLN  73  -1.466  -8.599   4.552
  554   HE21  GLN  73          HE21      GLN  73  -2.995  -7.579   3.581
  555   HE22  GLN  73          HE22      GLN  73  -3.798  -6.225   4.237
  556    H    GLU  74           HN       GLU  74  -0.371  -9.909   4.080
  557    HA   GLU  74           HA       GLU  74  -0.318 -12.574   5.424
  558    HB2  GLU  74           HB2      GLU  74  -2.136 -11.285   6.172
  559    HB3  GLU  74           HB1      GLU  74  -2.520 -10.763   4.559
  560    HG2  GLU  74           HG2      GLU  74  -3.145 -13.201   4.120
  561    HG3  GLU  74           HG1      GLU  74  -3.087 -13.380   5.881
  562    H    ASN  75           HN       ASN  75  -1.016 -10.725   2.593
  563    HA   ASN  75           HA       ASN  75  -1.382 -12.886   0.778
  564    HB2  ASN  75           HB2      ASN  75  -3.507 -12.842   2.130
  565    HB3  ASN  75           HB1      ASN  75  -3.741 -11.176   1.628
  566   HD21  ASN  75          HD21      ASN  75  -5.390 -13.501   1.253
  567   HD22  ASN  75          HD22      ASN  75  -5.628 -13.695  -0.453
  568    HA   PRO  76           HA       PRO  76   1.117  -9.522  -1.092
  569    HB2  PRO  76           HB2      PRO  76  -0.268 -10.897  -3.360
  570    HB3  PRO  76           HB1      PRO  76   1.386 -10.248  -3.310
  571    HG2  PRO  76           HG2      PRO  76   0.987 -12.799  -2.828
  572    HG3  PRO  76           HG1      PRO  76   2.161 -11.869  -1.881
  573    HD2  PRO  76           HD2      PRO  76  -0.369 -13.045  -1.010
  574    HD3  PRO  76           HD1      PRO  76   0.979 -12.437  -0.031
  575    H    LYS  77           HN       LYS  77  -2.228  -9.459  -1.363
  576    HA   LYS  77           HA       LYS  77  -2.343  -6.780  -2.514
  577    HB2  LYS  77           HB2      LYS  77  -4.833  -7.134  -2.130
  578    HB3  LYS  77           HB1      LYS  77  -4.110  -8.342  -3.180
  579    HG2  LYS  77           HG2      LYS  77  -3.898  -9.744  -0.994
  580    HG3  LYS  77           HG1      LYS  77  -5.102  -8.620  -0.375
  581    HD2  LYS  77           HD2      LYS  77  -5.412 -10.293  -2.873
  582    HD3  LYS  77           HD1      LYS  77  -6.075 -10.704  -1.298
  583    HE2  LYS  77           HE2      LYS  77  -6.766  -8.274  -2.944
  584    HE3  LYS  77           HE1      LYS  77  -7.764  -9.715  -2.750
  585    HZ1  LYS  77           HZ1      LYS  77  -7.649  -9.180  -0.279
  586    HZ2  LYS  77           HZ2      LYS  77  -8.636  -8.294  -1.252
  587    HZ3  LYS  77           HZ3      LYS  77  -7.143  -7.621  -0.774
  588    H    GLY  78           HN       GLY  78  -0.734  -7.136  -0.309
  589    HA2  GLY  78           HA2      GLY  78  -1.784  -6.986   2.379
  590    HA3  GLY  78           HA1      GLY  78  -0.153  -6.859   1.847
  591    H    LEU  79           HN       LEU  79  -1.815  -4.572   0.301
  592    HA   LEU  79           HA       LEU  79  -0.196  -2.541   1.271
  593    HB2  LEU  79           HB2      LEU  79  -2.736  -2.246  -0.292
  594    HB3  LEU  79           HB1      LEU  79  -1.592  -0.957   0.002
  595    HG   LEU  79           HG       LEU  79   0.134  -2.319  -1.195
  596   HD11  LEU  79          HD11      LEU  79  -2.254  -3.992  -1.789
  597   HD12  LEU  79          HD12      LEU  79  -0.727  -4.488  -1.052
  598   HD13  LEU  79          HD13      LEU  79  -0.781  -4.045  -2.771
  599   HD21  LEU  79          HD21      LEU  79  -2.325  -1.489  -2.681
  600   HD22  LEU  79          HD22      LEU  79  -0.802  -1.936  -3.430
  601   HD23  LEU  79          HD23      LEU  79  -0.873  -0.521  -2.361
  602    H    ASP  80           HN       ASP  80  -3.064  -3.583   2.701
  603    HA   ASP  80           HA       ASP  80  -4.552  -1.683   3.619
  604    HB2  ASP  80           HB2      ASP  80  -3.388  -3.907   5.245
  605    HB3  ASP  80           HB1      ASP  80  -4.620  -2.867   5.915
  606    H    THR  81           HN       THR  81  -1.580  -2.440   5.400
  607    HA   THR  81           HA       THR  81  -1.988  -0.336   7.274
  608    HB   THR  81           HB       THR  81  -0.763  -2.415   7.879
  609    HG1  THR  81           HG1      THR  81   0.380  -1.401   9.321
  610   HG21  THR  81          HG21      THR  81   1.440  -1.249   6.157
  611   HG22  THR  81          HG22      THR  81   0.595  -2.771   5.882
  612   HG23  THR  81          HG23      THR  81   1.664  -2.584   7.270
  613    H    LEU  82           HN       LEU  82  -0.381  -0.440   4.215
  614    HA   LEU  82           HA       LEU  82   1.632   1.566   4.586
  615    HB2  LEU  82           HB2      LEU  82   0.180   0.940   2.113
  616    HB3  LEU  82           HB1      LEU  82   1.753   1.667   2.246
  617    HG   LEU  82           HG       LEU  82   1.141  -1.276   2.674
  618   HD11  LEU  82          HD11      LEU  82   2.994  -1.474   1.080
  619   HD12  LEU  82          HD12      LEU  82   2.904   0.274   0.866
  620   HD13  LEU  82          HD13      LEU  82   1.515  -0.735   0.478
  621   HD21  LEU  82          HD21      LEU  82   2.593  -0.326   4.564
  622   HD22  LEU  82          HD22      LEU  82   3.831   0.009   3.341
  623   HD23  LEU  82          HD23      LEU  82   3.279  -1.635   3.653
  624    H    VAL  83           HN       VAL  83  -1.651   1.491   3.650
  625    HA   VAL  83           HA       VAL  83  -1.647   3.872   2.215
  626    HB   VAL  83           HB       VAL  83  -3.829   3.533   1.840
  627   HG11  VAL  83          HG11      VAL  83  -4.286   1.208   1.456
  628   HG12  VAL  83          HG12      VAL  83  -2.845   0.817   2.388
  629   HG13  VAL  83          HG13      VAL  83  -2.705   1.770   0.911
  630   HG21  VAL  83          HG21      VAL  83  -4.189   2.056   4.456
  631   HG22  VAL  83          HG22      VAL  83  -5.462   2.314   3.262
  632   HG23  VAL  83          HG23      VAL  83  -4.754   3.690   4.108
  633    H    GLU  84           HN       GLU  84  -1.811   3.262   5.545
  634    HA   GLU  84           HA       GLU  84  -2.936   5.731   6.423
  635    HB2  GLU  84           HB2      GLU  84  -2.977   3.778   7.867
  636    HB3  GLU  84           HB1      GLU  84  -1.244   3.603   7.761
  637    HG2  GLU  84           HG2      GLU  84  -2.550   5.973   9.094
  638    HG3  GLU  84           HG1      GLU  84  -2.209   4.473   9.949
  639    H    SER  85           HN       SER  85   0.288   4.651   5.547
  640    HA   SER  85           HA       SER  85   1.568   6.859   6.782
  641    HB2  SER  85           HB2      SER  85   2.608   4.851   4.793
  642    HB3  SER  85           HB1      SER  85   3.596   5.974   5.740
  643    HG   SER  85           HG       SER  85   2.156   4.941   7.510
  644    H    ILE  86           HN       ILE  86   0.010   6.390   3.756
  645    HA   ILE  86           HA       ILE  86   1.348   8.437   2.372
  646    HB   ILE  86           HB       ILE  86  -1.405   7.214   1.901
  647   HG12  ILE  86          HG12      ILE  86   1.256   6.969   0.480
  648   HG13  ILE  86          HG11      ILE  86   0.347   5.705   1.294
  649   HG21  ILE  86          HG21      ILE  86  -0.092   9.287   0.154
  650   HG22  ILE  86          HG22      ILE  86  -1.544   9.513   1.126
  651   HG23  ILE  86          HG23      ILE  86  -1.562   8.391  -0.236
  652   HD11  ILE  86          HD11      ILE  86  -0.394   7.046  -1.335
  653   HD12  ILE  86          HD12      ILE  86  -1.390   5.869  -0.501
  654   HD13  ILE  86          HD13      ILE  86   0.187   5.391  -1.120
  655    H    ARG  87           HN       ARG  87  -0.822   8.505   4.935
  656    HA   ARG  87           HA       ARG  87  -2.137  10.969   4.719
  657    HB2  ARG  87           HB2      ARG  87  -2.721   9.257   6.395
  658    HB3  ARG  87           HB1      ARG  87  -1.153   9.459   7.129
  659    HG2  ARG  87           HG2      ARG  87  -1.774  11.631   7.911
  660    HG3  ARG  87           HG1      ARG  87  -3.320  11.519   7.058
  661    HD2  ARG  87           HD2      ARG  87  -3.551  10.958   9.425
  662    HD3  ARG  87           HD1      ARG  87  -3.965   9.607   8.386
  663    HE   ARG  87           HE       ARG  87  -1.654   8.737   8.896
  664   HH11  ARG  87          HH11      ARG  87  -3.322  10.811  11.248
  665   HH12  ARG  87          HH12      ARG  87  -2.537  10.122  12.598
  666   HH21  ARG  87          HH21      ARG  87  -0.637   7.821  10.667
  667   HH22  ARG  87          HH22      ARG  87  -0.912   8.335  12.270
  668    H    ARG  88           HN       ARG  88   1.250  10.358   5.371
  669    HA   ARG  88           HA       ARG  88   1.670  13.067   6.405
  670    HB2  ARG  88           HB2      ARG  88   3.625  10.787   6.071
  671    HB3  ARG  88           HB1      ARG  88   4.036  12.364   6.720
  672    HG2  ARG  88           HG2      ARG  88   2.043  10.452   7.948
  673    HG3  ARG  88           HG1      ARG  88   3.711  10.654   8.473
  674    HD2  ARG  88           HD2      ARG  88   2.218  11.900   9.945
  675    HD3  ARG  88           HD1      ARG  88   3.225  13.020   9.033
  676    HE   ARG  88           HE       ARG  88   0.724  12.502   7.780
  677   HH11  ARG  88          HH11      ARG  88   2.164  14.460  10.349
  678   HH12  ARG  88          HH12      ARG  88   1.108  15.777  10.160
  679   HH21  ARG  88          HH21      ARG  88  -0.700  14.283   7.457
  680   HH22  ARG  88          HH22      ARG  88  -0.614  15.676   8.442
  681    H    GLU  89           HN       GLU  89   1.530  11.594   3.523
  682    HA   GLU  89           HA       GLU  89   3.715  12.804   2.240
  683    HB2  GLU  89           HB2      GLU  89   1.506  11.201   0.987
  684    HB3  GLU  89           HB1      GLU  89   3.050  11.618   0.251
  685    HG2  GLU  89           HG2      GLU  89   2.594   9.860   2.641
  686    HG3  GLU  89           HG1      GLU  89   3.170   9.347   1.048
  687    H    LYS  90           HN       LYS  90   0.850  14.052   3.012
  688    HA   LYS  90           HA       LYS  90  -0.510  15.345   1.086
  689    HB2  LYS  90           HB2      LYS  90   0.141  16.244   3.822
  690    HB3  LYS  90           HB1      LYS  90  -0.601  17.411   2.748
  691    HG2  LYS  90           HG2      LYS  90  -1.774  14.696   3.363
  692    HG3  LYS  90           HG1      LYS  90  -2.200  16.176   4.221
  693    HD2  LYS  90           HD2      LYS  90  -2.974  17.180   2.106
  694    HD3  LYS  90           HD1      LYS  90  -2.577  15.707   1.240
  695    HE2  LYS  90           HE2      LYS  90  -4.214  14.504   2.749
  696    HE3  LYS  90           HE1      LYS  90  -4.678  16.081   3.372
  697    HZ1  LYS  90           HZ1      LYS  90  -4.898  15.261   0.509
  698    HZ2  LYS  90           HZ2      LYS  90  -5.392  16.738   1.155
  699    HZ3  LYS  90           HZ3      LYS  90  -6.191  15.333   1.583
  700    H    THR  91           HN       THR  91   2.788  16.055   1.035
  701    HA   THR  91           HA       THR  91   2.583  18.684  -0.038
  702    HB   THR  91           HB       THR  91   4.858  18.040  -1.060
  703    HG1  THR  91           HG1      THR  91   5.521  15.994   0.364
  704   HG21  THR  91          HG21      THR  91   4.698  19.229   1.085
  705   HG22  THR  91          HG22      THR  91   6.031  18.075   1.105
  706   HG23  THR  91          HG23      THR  91   4.518  17.691   1.927
  707    H    GLN  92           HN       GLN  92   2.214  15.432  -1.121
  708    HA   GLN  92           HA       GLN  92   1.179  16.396  -3.684
  709    HB2  GLN  92           HB2      GLN  92   2.101  13.620  -2.870
  710    HB3  GLN  92           HB1      GLN  92   1.264  13.960  -4.380
  711    HG2  GLN  92           HG2      GLN  92   3.903  15.159  -3.562
  712    HG3  GLN  92           HG1      GLN  92   3.705  13.783  -4.650
  713   HE21  GLN  92          HE21      GLN  92   3.230  17.241  -4.277
  714   HE22  GLN  92          HE22      GLN  92   3.021  17.551  -5.962
  715    H    ASN  93           HN       ASN  93  -0.567  17.163  -2.652
  716    HA   ASN  93           HA       ASN  93  -2.058  15.942  -0.657
  717    HB2  ASN  93           HB2      ASN  93  -3.723  17.697  -0.982
  718    HB3  ASN  93           HB1      ASN  93  -2.092  18.350  -1.021
  719   HD21  ASN  93          HD21      ASN  93  -4.544  19.515  -2.111
  720   HD22  ASN  93          HD22      ASN  93  -4.238  19.706  -3.798
  721    H    PHE  94           HN       PHE  94  -2.326  15.511  -4.035
  722    HA   PHE  94           HA       PHE  94  -5.000  14.762  -4.298
  723    HB2  PHE  94           HB2      PHE  94  -3.638  15.284  -6.233
  724    HB3  PHE  94           HB1      PHE  94  -2.610  13.891  -5.929
  725    HD1  PHE  94           HD1      PHE  94  -6.070  14.881  -6.827
  726    HD2  PHE  94           HD2      PHE  94  -3.143  11.789  -6.840
  727    HE1  PHE  94           HE1      PHE  94  -7.524  13.511  -8.264
  728    HE2  PHE  94           HE2      PHE  94  -4.593  10.414  -8.275
  729    HZ   PHE  94           HZ       PHE  94  -6.787  11.275  -8.988
  730    H    LEU  95           HN       LEU  95  -2.179  12.609  -3.900
  731    HA   LEU  95           HA       LEU  95  -3.489  10.146  -4.078
  732    HB2  LEU  95           HB2      LEU  95  -1.056  10.892  -2.482
  733    HB3  LEU  95           HB1      LEU  95  -1.621   9.249  -2.631
  734    HG   LEU  95           HG       LEU  95   0.179   9.445  -4.101
  735   HD11  LEU  95          HD11      LEU  95  -2.298   9.725  -5.749
  736   HD12  LEU  95          HD12      LEU  95  -1.647   8.269  -4.988
  737   HD13  LEU  95          HD13      LEU  95  -0.741   9.064  -6.279
  738   HD21  LEU  95          HD21      LEU  95   0.342  11.845  -4.174
  739   HD22  LEU  95          HD22      LEU  95  -1.070  11.903  -5.263
  740   HD23  LEU  95          HD23      LEU  95   0.433  11.117  -5.785
  741    H    ILE  96           HN       ILE  96  -2.924  12.169  -1.399
  742    HA   ILE  96           HA       ILE  96  -3.594  10.388   0.694
  743    HB   ILE  96           HB       ILE  96  -4.136  13.230   1.145
  744   HG12  ILE  96          HG12      ILE  96  -2.273  13.513  -0.453
  745   HG13  ILE  96          HG11      ILE  96  -1.783  13.908   1.190
  746   HG21  ILE  96          HG21      ILE  96  -2.742  12.828   3.138
  747   HG22  ILE  96          HG22      ILE  96  -2.428  11.198   2.550
  748   HG23  ILE  96          HG23      ILE  96  -4.071  11.681   2.971
  749   HD11  ILE  96          HD11      ILE  96  -0.598  11.814   1.335
  750   HD12  ILE  96          HD12      ILE  96  -0.068  12.778  -0.048
  751   HD13  ILE  96          HD13      ILE  96  -1.135  11.393  -0.294
  752    H    GLN  97           HN       GLN  97  -5.451  12.451  -1.365
  753    HA   GLN  97           HA       GLN  97  -7.770  12.413   0.390
  754    HB2  GLN  97           HB2      GLN  97  -6.910  14.373  -1.120
  755    HB3  GLN  97           HB1      GLN  97  -7.730  13.497  -2.407
  756    HG2  GLN  97           HG2      GLN  97  -9.199  15.170  -1.558
  757    HG3  GLN  97           HG1      GLN  97  -9.807  13.587  -1.065
  758   HE21  GLN  97          HE21      GLN  97 -10.907  14.382   0.666
  759   HE22  GLN  97          HE22      GLN  97 -10.148  14.961   2.103
  760    H    LYS  98           HN       LYS  98  -6.615  11.284  -2.685
  761    HA   LYS  98           HA       LYS  98  -8.874  10.015  -3.686
  762    HB2  LYS  98           HB2      LYS  98  -7.199  10.681  -5.203
  763    HB3  LYS  98           HB1      LYS  98  -5.926   9.942  -4.269
  764    HG2  LYS  98           HG2      LYS  98  -6.351   8.862  -6.440
  765    HG3  LYS  98           HG1      LYS  98  -6.517   7.770  -5.070
  766    HD2  LYS  98           HD2      LYS  98  -8.284   7.283  -6.565
  767    HD3  LYS  98           HD1      LYS  98  -8.974   8.146  -5.201
  768    HE2  LYS  98           HE2      LYS  98  -8.979  10.204  -6.585
  769    HE3  LYS  98           HE1      LYS  98  -8.400   9.239  -7.948
  770    HZ1  LYS  98           HZ1      LYS  98 -10.986   9.148  -6.567
  771    HZ2  LYS  98           HZ2      LYS  98 -10.426   7.758  -7.287
  772    HZ3  LYS  98           HZ3      LYS  98 -10.723   9.143  -8.244
  773    H    ILE  99           HN       ILE  99  -6.808   8.974  -1.175
  774    HA   ILE  99           HA       ILE  99  -7.006   6.180  -1.332
  775    HB   ILE  99           HB       ILE  99  -7.101   7.876   1.195
  776   HG12  ILE  99          HG12      ILE  99  -4.711   6.629  -0.184
  777   HG13  ILE  99          HG11      ILE  99  -5.126   8.337  -0.235
  778   HG21  ILE  99          HG21      ILE  99  -6.214   5.881   2.340
  779   HG22  ILE  99          HG22      ILE  99  -6.336   4.972   0.834
  780   HG23  ILE  99          HG23      ILE  99  -7.796   5.574   1.618
  781   HD11  ILE  99          HD11      ILE  99  -3.356   7.917   1.355
  782   HD12  ILE  99          HD12      ILE  99  -4.373   6.765   2.220
  783   HD13  ILE  99          HD13      ILE  99  -4.805   8.475   2.188
  784    H    THR 100           HN       THR 100  -9.245   8.606  -0.134
  785    HA   THR 100           HA       THR 100 -11.138   7.019   1.161
  786    HB   THR 100           HB       THR 100 -11.740   9.546  -0.374
  787    HG1  THR 100           HG1      THR 100 -10.087  10.260   0.716
  788   HG21  THR 100          HG21      THR 100 -12.741   8.456   2.271
  789   HG22  THR 100          HG22      THR 100 -13.627   8.422   0.748
  790   HG23  THR 100          HG23      THR 100 -13.258   9.964   1.518
  791    H    ASP 101           HN       ASP 101 -11.091   8.361  -2.136
  792    HA   ASP 101           HA       ASP 101 -13.448   7.622  -3.245
  793    HB2  ASP 101           HB2      ASP 101 -10.764   7.485  -4.578
  794    HB3  ASP 101           HB1      ASP 101 -12.310   7.653  -5.370
  795    H    GLU 102           HN       GLU 102 -10.401   5.864  -3.545
  796    HA   GLU 102           HA       GLU 102 -11.596   3.813  -5.054
  797    HB2  GLU 102           HB2      GLU 102  -8.891   3.650  -3.730
  798    HB3  GLU 102           HB1      GLU 102  -9.467   2.743  -5.109
  799    HG2  GLU 102           HG2      GLU 102  -8.879   5.697  -5.039
  800    HG3  GLU 102           HG1      GLU 102  -7.977   4.455  -5.896
  801    H    VAL 103           HN       VAL 103 -10.740   4.069  -1.660
  802    HA   VAL 103           HA       VAL 103 -11.189   1.341  -1.093
  803    HB   VAL 103           HB       VAL 103 -11.225   3.736   0.785
  804   HG11  VAL 103          HG11      VAL 103 -11.042   2.118   2.612
  805   HG12  VAL 103          HG12      VAL 103 -11.211   0.796   1.462
  806   HG13  VAL 103          HG13      VAL 103 -12.560   1.904   1.735
  807   HG21  VAL 103          HG21      VAL 103  -9.066   3.272  -0.248
  808   HG22  VAL 103          HG22      VAL 103  -9.159   1.595   0.286
  809   HG23  VAL 103          HG23      VAL 103  -9.032   2.891   1.473
  810    H    LEU 104           HN       LEU 104 -13.331   4.178  -0.675
  811    HA   LEU 104           HA       LEU 104 -15.540   2.612   0.195
  812    HB2  LEU 104           HB2      LEU 104 -15.274   5.433  -0.782
  813    HB3  LEU 104           HB1      LEU 104 -16.864   4.732  -0.575
  814    HG   LEU 104           HG       LEU 104 -16.370   4.347   1.824
  815   HD11  LEU 104          HD11      LEU 104 -13.817   5.853   1.307
  816   HD12  LEU 104          HD12      LEU 104 -13.956   4.154   1.758
  817   HD13  LEU 104          HD13      LEU 104 -14.457   5.411   2.890
  818   HD21  LEU 104          HD21      LEU 104 -16.004   7.187   0.898
  819   HD22  LEU 104          HD22      LEU 104 -16.484   6.688   2.519
  820   HD23  LEU 104          HD23      LEU 104 -17.539   6.355   1.146
  821    H    LYS 105           HN       LYS 105 -14.244   3.196  -2.928
  822    HA   LYS 105           HA       LYS 105 -16.541   2.596  -4.488
  823    HB2  LYS 105           HB2      LYS 105 -14.655   3.649  -5.574
  824    HB3  LYS 105           HB1      LYS 105 -13.583   2.352  -5.079
  825    HG2  LYS 105           HG2      LYS 105 -14.646   0.815  -6.615
  826    HG3  LYS 105           HG1      LYS 105 -15.868   2.014  -7.025
  827    HD2  LYS 105           HD2      LYS 105 -14.153   1.849  -8.777
  828    HD3  LYS 105           HD1      LYS 105 -14.155   3.440  -8.030
  829    HE2  LYS 105           HE2      LYS 105 -11.877   2.713  -8.372
  830    HE3  LYS 105           HE1      LYS 105 -12.213   2.760  -6.653
  831    HZ1  LYS 105           HZ1      LYS 105 -12.493   0.258  -6.772
  832    HZ2  LYS 105           HZ2      LYS 105 -10.976   0.834  -7.192
  833    HZ3  LYS 105           HZ3      LYS 105 -11.958   0.314  -8.370
  834    H    LEU 106           HN       LEU 106 -14.052   0.635  -3.014
  835    HA   LEU 106           HA       LEU 106 -14.816  -1.800  -4.246
  836    HB2  LEU 106           HB2      LEU 106 -12.892  -1.103  -2.092
  837    HB3  LEU 106           HB1      LEU 106 -13.462  -2.753  -2.188
  838    HG   LEU 106           HG       LEU 106 -11.323  -2.519  -3.256
  839   HD11  LEU 106          HD11      LEU 106 -13.502  -3.027  -5.269
  840   HD12  LEU 106          HD12      LEU 106 -12.827  -4.189  -4.131
  841   HD13  LEU 106          HD13      LEU 106 -11.820  -3.528  -5.416
  842   HD21  LEU 106          HD21      LEU 106 -12.667  -0.581  -5.124
  843   HD22  LEU 106          HD22      LEU 106 -11.042  -1.234  -5.334
  844   HD23  LEU 106          HD23      LEU 106 -11.407  -0.195  -3.953
  845    H    ARG 107           HN       ARG 107 -16.369  -0.117  -1.903
  846    HA   ARG 107           HA       ARG 107 -17.069  -1.607   0.237
  847    HB2  ARG 107           HB2      ARG 107 -19.262  -0.516   0.279
  848    HB3  ARG 107           HB1      ARG 107 -17.949   0.592  -0.088
  849    HG2  ARG 107           HG2      ARG 107 -18.541   0.488  -2.469
  850    HG3  ARG 107           HG1      ARG 107 -19.885  -0.586  -2.073
  851    HD2  ARG 107           HD2      ARG 107 -20.906   1.143  -0.720
  852    HD3  ARG 107           HD1      ARG 107 -19.521   2.202  -0.989
  853    HE   ARG 107           HE       ARG 107 -20.486   1.503  -3.461
  854   HH11  ARG 107          HH11      ARG 107 -21.657   3.267  -0.643
  855   HH12  ARG 107          HH12      ARG 107 -22.654   4.354  -1.491
  856   HH21  ARG 107          HH21      ARG 107 -21.863   3.006  -4.710
  857   HH22  ARG 107          HH22      ARG 107 -22.770   4.190  -3.904
  858    H    ASN 108           HN       ASN 108 -18.177  -2.470  -2.963
  859    HA   ASN 108           HA       ASN 108 -20.283  -4.205  -2.132
  860    HB2  ASN 108           HB2      ASN 108 -20.359  -3.441  -4.395
  861    HB3  ASN 108           HB1      ASN 108 -18.733  -4.026  -4.722
  862   HD21  ASN 108          HD21      ASN 108 -22.090  -4.962  -4.276
  863   HD22  ASN 108          HD22      ASN 108 -21.889  -6.543  -4.954
  864    H    ILE 109           HN       ILE 109 -16.830  -4.701  -2.715
  865    HA   ILE 109           HA       ILE 109 -16.954  -7.512  -2.697
  866    HB   ILE 109           HB       ILE 109 -15.007  -6.250  -3.713
  867   HG12  ILE 109          HG12      ILE 109 -13.241  -7.848  -2.994
  868   HG13  ILE 109          HG11      ILE 109 -14.285  -8.369  -1.679
  869   HG21  ILE 109          HG21      ILE 109 -14.628  -4.651  -1.926
  870   HG22  ILE 109          HG22      ILE 109 -13.162  -5.565  -2.283
  871   HG23  ILE 109          HG23      ILE 109 -14.120  -5.957  -0.855
  872   HD11  ILE 109          HD11      ILE 109 -14.897  -8.642  -4.616
  873   HD12  ILE 109          HD12      ILE 109 -15.910  -9.213  -3.287
  874   HD13  ILE 109          HD13      ILE 109 -14.323  -9.924  -3.554
  875    H    LYS 110           HN       LYS 110 -16.919  -5.252  -0.226
  876    HA   LYS 110           HA       LYS 110 -15.861  -6.610   1.938
  877    HB2  LYS 110           HB2      LYS 110 -16.578  -4.213   1.836
  878    HB3  LYS 110           HB1      LYS 110 -18.225  -4.749   1.981
  879    HG2  LYS 110           HG2      LYS 110 -16.300  -5.564   4.103
  880    HG3  LYS 110           HG1      LYS 110 -16.849  -3.896   4.067
  881    HD2  LYS 110           HD2      LYS 110 -18.617  -6.345   4.241
  882    HD3  LYS 110           HD1      LYS 110 -18.213  -5.266   5.579
  883    HE2  LYS 110           HE2      LYS 110 -19.217  -3.395   4.183
  884    HE3  LYS 110           HE1      LYS 110 -19.848  -4.654   3.125
  885    HZ1  LYS 110           HZ1      LYS 110 -20.362  -4.390   6.003
  886    HZ2  LYS 110           HZ2      LYS 110 -21.194  -5.497   5.004
  887    HZ3  LYS 110           HZ3      LYS 110 -21.332  -3.789   4.851
  888    H    LEU 111           HN       LEU 111 -18.899  -7.155   0.313
  889    HA   LEU 111           HA       LEU 111 -20.210  -8.578   2.398
  890    HB2  LEU 111           HB2      LEU 111 -20.584  -8.773  -0.591
  891    HB3  LEU 111           HB1      LEU 111 -21.694  -9.383   0.617
  892    HG   LEU 111           HG       LEU 111 -21.039  -6.474   0.140
  893   HD11  LEU 111          HD11      LEU 111 -22.362  -7.424  -1.655
  894   HD12  LEU 111          HD12      LEU 111 -23.335  -6.322  -0.680
  895   HD13  LEU 111          HD13      LEU 111 -23.517  -8.066  -0.486
  896   HD21  LEU 111          HD21      LEU 111 -23.022  -7.755   2.027
  897   HD22  LEU 111          HD22      LEU 111 -22.888  -6.029   1.700
  898   HD23  LEU 111          HD23      LEU 111 -21.561  -6.878   2.487
  899    H    GLU 112           HN       GLU 112 -18.022  -9.488  -0.198
  900    HA   GLU 112           HA       GLU 112 -18.226 -12.327   0.408
  901    HB2  GLU 112           HB2      GLU 112 -16.421 -10.879  -1.545
  902    HB3  GLU 112           HB1      GLU 112 -16.749 -12.601  -1.506
  903    HG2  GLU 112           HG2      GLU 112 -18.762 -10.449  -2.167
  904    HG3  GLU 112           HG1      GLU 112 -17.922 -11.459  -3.336
  905    H    HIS 113           HN       HIS 113 -16.559  -9.678   1.453
  906    HA   HIS 113           HA       HIS 113 -13.913 -10.730   1.901
  907    HB2  HIS 113           HB2      HIS 113 -14.347  -8.312   1.558
  908    HB3  HIS 113           HB1      HIS 113 -15.268  -8.272   3.048
  909    HD1  HIS 113           HD1      HIS 113 -11.885  -7.735   1.696
  910    HD2  HIS 113           HD2      HIS 113 -13.558  -8.557   5.436
  911    HE1  HIS 113           HE1      HIS 113 -10.153  -7.144   3.372
  912    HE2  HIS 113           HE2      HIS 113 -11.343  -7.220   5.550
  913    H    LEU 114           HN       LEU 114 -16.854 -11.008   3.587
  914    HA   LEU 114           HA       LEU 114 -15.490 -12.021   5.985
  915    HB2  LEU 114           HB2      LEU 114 -17.395 -11.002   7.318
  916    HB3  LEU 114           HB1      LEU 114 -16.204  -9.889   6.690
  917    HG   LEU 114           HG       LEU 114 -17.826  -9.322   4.837
  918   HD11  LEU 114          HD11      LEU 114 -19.253 -11.349   4.979
  919   HD12  LEU 114          HD12      LEU 114 -20.155  -9.836   5.027
  920   HD13  LEU 114          HD13      LEU 114 -19.887 -10.748   6.514
  921   HD21  LEU 114          HD21      LEU 114 -17.524  -7.868   6.738
  922   HD22  LEU 114          HD22      LEU 114 -18.706  -8.793   7.664
  923   HD23  LEU 114          HD23      LEU 114 -19.217  -7.878   6.245
  924    H    LYS 115           HN       LYS 115 -16.627 -13.310   3.641
  925    HA   LYS 115           HA       LYS 115 -19.162 -14.307   4.576
  926    HB2  LYS 115           HB2      LYS 115 -19.087 -13.123   2.476
  927    HB3  LYS 115           HB1      LYS 115 -17.861 -14.216   1.881
  928    HG2  LYS 115           HG2      LYS 115 -19.482 -16.036   1.892
  929    HG3  LYS 115           HG1      LYS 115 -20.721 -14.917   2.496
  930    HD2  LYS 115           HD2      LYS 115 -20.352 -13.475   0.571
  931    HD3  LYS 115           HD1      LYS 115 -19.145 -14.595  -0.038
  932    HE2  LYS 115           HE2      LYS 115 -20.854 -16.296  -0.301
  933    HE3  LYS 115           HE1      LYS 115 -22.066 -15.184   0.352
  934    HZ1  LYS 115           HZ1      LYS 115 -22.083 -15.065  -2.135
  935    HZ2  LYS 115           HZ2      LYS 115 -20.415 -14.655  -2.052
  936    HZ3  LYS 115           HZ3      LYS 115 -21.456 -13.633  -1.463