*HEADER    HYDROLASE                               11-AUG-07   2RLT              
*TITLE     PHOSPHORYLATED CPI-17 (22-120)                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 14A;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 22-120;                                           
*COMPND   5 SYNONYM: PROTEIN KINASE C-POTENTIATED INHIBITOR PROTEIN OF           
*COMPND   6 17 KDA, 17 KDA PKC-POTENTIATED INHIBITORY PROTEIN OF PP1,            
*COMPND   7 CPI-17;                                                              
*COMPND   8 EC: 3.1.-.-;                                                         
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIG;                                                
*SOURCE   4 GENE: CPI17;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET30                                      
*KEYWDS    PHOSPHORYLATION, PP1 INHIBITOR, CYTOPLASM, PROTEIN                    
*KEYWDS   2 PHOSPHATASE INHIBITOR, HYDROLASE                                     
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.ETO                                                                 
*REVDAT   2   09-SEP-08 2RLT    1       ADD CONSTRAINT DATA                                     
*REVDAT   1   15-JUL-08 2RLT    0                                                



restraints dihedral reset

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assign (resid   97 and  name HD1# )((resid   26 and  name HA    )or(resid  94 and  name HA   )) 0.0 1.5 6.5
assign (resid   39 and  name HA   )((resid   34 and  name HH2   )or(resid  86 and  name HD#  )) 0.0 1.5 6.5
assign (resid   42 and  name HD2# )((resid   34 and  name HH2   )or(resid  86 and  name HD#  )) 0.0 2.0 7.0
assign (resid   64 and  name HB1  )((resid   67 and  name HB#   )or(resid  67 and  name HG#  )) 0.0 1.0 6.0
assign (resid   64 and  name HB2  )((resid   67 and  name HB#   )or(resid  67 and  name HG#  )) 0.0 1.0 6.0
assign (resid   64 and  name HB2  )((resid   67 and  name HB#   )or(resid  67 and  name HG#  )) 0.0 1.0 6.0
assign (resid   81 and  name HA   )((resid   82 and  name HG#   )or(resid  82 and  name HD#  )) 0.0 1.0 6.0
assign (resid   88 and  name HG#  )((resid   87 and  name HA    )or(resid  83 and  name HA   )) 0.0 1.0 6.0
assign (resid   76 and  name HD2# )((resid   78 and  name HA    )or(resid  87 and  name HA   )) 0.0 1.5 6.5
assign (resid   38 and  name HD#  )((resid   35 and  name HD1#  )or(resid  39 and  name HD2# )) 0.0 3.0 8.0
assign (resid   35 and  name HG1# )((resid   38 and  name HD#   )or(resid  49 and  name HB#  )) 0.0 2.5 7.5
assign (resid   39 and  name HB#  )((resid   50 and  name HE#   )or(resid  16 and  name HG#  )) 0.0 2.0 7.0
assign (resid   42 and  name HD2# )((resid   75 and  name HD#   )or(resid  76 and  name HG   )) 0.0 2.0 8.0
assign (resid   64 and  name HA   )((resid   63 and  name HG#   )or(resid  65 and  name HG#  )) 0.0 1.5 6.5
assign (resid   97 and  name HD1# )((resid   94 and  name HD1#  )or(resid  94 and  name HD2# )) 0.0 3.0 8.0
assign (resid   43 and  name HE#  )((resid   39 and  name HG    )or(resid  42 and  name HG   )) 0.0 2.0 7.0
assign (resid   34 and  name HZ3  )((resid   37 and  name HA    )or(resid  90 and  name HA   )) 0.0 0.0 5.0
assign (resid   20 and  name HE#  )((resid   54 and  name HB    )or(resid  58 and  name HB#  )) 0.0 2.0 7.0
assign (resid   20 and  name HE#  )((resid   56 and  name HG1#  )or(resid  17 and  name HG2# )) 0.0 3.5 8.5
assign (resid   86 and  name HD#  )((resid   39 and  name HD2#  )or(resid  72 and  name HD1# )) 0.0 3.0 8.0
assign (resid   86 and  name HD#  )((resid   14 and  name HB#   )or(resid  83 and  name HG2# )) 0.0 0.0 8.0
assign (resid   43 and  name HD#  )((resid   79 and  name HA    )or(resid  47 and  name HA   )) 0.0 0.0 6.5
assign (resid   98 and  name HD2  )((resid   97 and  name HD1#  )or(resid  97 and  name HD2# )) 0.0 1.4 7.4
 
assign (resid   27 and   name O    )(resid   31 and   name N    )  0.0 0.0 3.3
assign (resid   27 and   name O    )(resid   31 and   name HN   )  0.0 0.0 2.3
assign (resid 28 and   name O    )(resid   32 and   name N    )  0.0 0.0 3.3
assign (resid 28 and   name O    )(resid   32 and   name HN   )  0.0 0.0 2.3
assign (resid 29 and   name O    )(resid   33 and   name N    )  0.0 0.0 3.3
assign (resid 29 and   name O    )(resid   33 and   name HN   )  0.0 0.0 2.3
assign (resid 30 and   name O    )(resid   34 and   name N    )  0.0 0.0 3.3
assign (resid 30 and   name O    )(resid   34 and   name HN   )  0.0 0.0 2.3
assign (resid 31 and   name O    )(resid   35 and   name N    )  0.0 0.0 3.3
assign (resid 31 and   name O    )(resid   35 and   name HN   )  0.0 0.0 2.3
assign (resid 32 and   name O    )(resid   36 and   name N    )  0.0 0.0 3.3
assign (resid 32 and   name O    )(resid   36 and   name HN   )  0.0 0.0 2.3
assign (resid 33 and   name O    )(resid   37 and   name N    )  0.0 0.0 3.3
assign (resid 33 and   name O    )(resid   37 and   name HN   )  0.0 0.0 2.3
assign (resid 34 and   name O    )(resid   38 and   name N    )  0.0 0.0 3.3
assign (resid 34 and   name O    )(resid   38 and   name HN   )  0.0 0.0 2.3
assign (resid 35 and   name O    )(resid   39 and   name N    )  0.0 0.0 3.3
assign (resid 35 and   name O    )(resid   39 and   name HN   )  0.0 0.0 2.3
assign (resid 36 and   name O    )(resid   40 and   name N    )  0.0 0.0 3.3
assign (resid 36 and   name O    )(resid   40 and   name HN   )  0.0 0.0 2.3
assign (resid 37 and   name O    )(resid   41 and   name N    )  0.0 0.0 3.3
assign (resid 37 and   name O    )(resid   41 and   name HN   )  0.0 0.0 2.3
assign (resid 56 and   name O    )(resid   60 and   name N    )  0.0 0.0 3.3
assign (resid 56 and   name O    )(resid   60 and   name HN   )  0.0 0.0 2.3
assign (resid   57 and   name O    )(resid   61 and   name N    )  0.0 0.0 3.3
assign (resid   57 and   name O    )(resid   61 and   name HN   )  0.0 0.0 2.3
assign (resid   66 and   name O    )(resid   70 and   name N    )  0.0 0.0 3.3
assign (resid   66 and   name O    )(resid   70 and   name HN   )  0.0 0.0 2.3
assign (resid 67 and   name O    )(resid   71 and   name N    )  0.0 0.0 3.3
assign (resid 67 and   name O    )(resid   71 and   name HN   )  0.0 0.0 2.3
assign (resid 68 and   name O    )(resid   72 and   name N    )  0.0 0.0 3.3
assign (resid 68 and   name O    )(resid   72 and   name HN   )  0.0 0.0 2.3
assign (resid 69 and   name O    )(resid   73 and   name N    )  0.0 0.0 3.3
assign (resid 69 and   name O    )(resid   73 and   name HN   )  0.0 0.0 2.3
assign (resid 70 and   name O    )(resid   74 and   name N    )  0.0 0.0 3.3
assign (resid 70 and   name O    )(resid   74 and   name HN   )  0.0 0.0 2.3
assign (resid   71 and   name O    )(resid   75 and   name N    )  0.0 0.0 3.3
assign (resid   71 and   name O    )(resid   75 and   name HN   )  0.0 0.0 2.3
assign (resid   72 and   name O    )(resid   76 and   name N    )  0.0 0.0 3.3
assign (resid   72 and   name O    )(resid   76 and   name HN   )  0.0 0.0 2.3
assign (resid   73 and   name O    )(resid   77 and   name N    )  0.0 0.0 3.3
assign (resid   73 and   name O    )(resid   77 and   name HN   )  0.0 0.0 2.3
assign (resid   83 and   name O    )(resid   87 and   name N    )  0.0 0.0 3.3
assign (resid   83 and   name O    )(resid   87 and   name HN   )  0.0 0.0 2.3
assign (resid 84 and   name O    )(resid   88 and   name N    )  0.0 0.0 3.3
assign (resid 84 and   name O    )(resid   88 and   name HN   )  0.0 0.0 2.3
assign (resid 85 and   name O    )(resid   89 and   name N    )  0.0 0.0 3.3
assign (resid 85 and   name O    )(resid   89 and   name HN   )  0.0 0.0 2.3
assign (resid 86 and   name O    )(resid   90 and   name N    )  0.0 0.0 3.3
assign (resid 86 and   name O    )(resid   90 and   name HN   )  0.0 0.0 2.3
assign (resid 87 and   name O    )(resid   91 and   name N    )  0.0 0.0 3.3
assign (resid 87 and   name O    )(resid   91 and   name HN   )  0.0 0.0 2.3
assign (resid 88 and   name O    )(resid   92 and   name N    )  0.0 0.0 3.3
assign (resid 88 and   name O    )(resid   92 and   name HN   )  0.0 0.0 2.3
assign (resid 89 and   name O    )(resid   93 and   name N    )  0.0 0.0 3.3
assign (resid 89 and   name O    )(resid   93 and   name HN   )  0.0 0.0 2.3
assign (resid 90 and   name O    )(resid   94 and   name N    )  0.0 0.0 3.3
assign (resid 90 and   name O    )(resid   94 and   name HN   )  0.0 0.0 2.3
assign (resid   91 and   name O    )(resid   95 and   name N    )  0.0 0.0 3.3
assign (resid   91 and   name O    )(resid   95 and   name HN   )  0.0 0.0 2.3



  Entry H atom name         Submitted Coord H atom name
    1    H1   GLY   1           1H       GLY   1  92.460 -23.102  13.159
    2    H2   GLY   1           2H       GLY   1  91.591 -21.812  13.842
    3    H3   GLY   1           3H       GLY   1  90.886 -22.764  12.625
    4    HA2  GLY   1           HA2      GLY   1  91.740 -24.377  14.806
    5    HA3  GLY   1           HA1      GLY   1  90.627 -23.114  15.334
    6    HA   PRO   2           HA       PRO   2  88.293 -26.649  13.361
    7    HB2  PRO   2           HB2      PRO   2  86.883 -27.389  15.588
    8    HB3  PRO   2           HB1      PRO   2  88.468 -28.073  15.177
    9    HG2  PRO   2           HG2      PRO   2  87.774 -25.962  17.154
   10    HG3  PRO   2           HG1      PRO   2  88.974 -27.260  17.261
   11    HD2  PRO   2           HD2      PRO   2  89.596 -24.660  16.692
   12    HD3  PRO   2           HD1      PRO   2  90.571 -26.048  16.162
   13    H    GLY   3           HN       GLY   3  87.538 -24.321  12.591
   14    HA2  GLY   3           HA2      GLY   3  85.511 -23.223  11.999
   15    HA3  GLY   3           HA1      GLY   3  84.689 -24.103  13.288
   16    H    GLY   4           HN       GLY   4  84.962 -23.321  15.495
   17    HA2  GLY   4           HA2      GLY   4  84.728 -20.521  15.787
   18    HA3  GLY   4           HA1      GLY   4  85.110 -21.623  17.110
   19    H    SER   5           HN       SER   5  86.365 -19.229  14.996
   20    HA   SER   5           HA       SER   5  89.183 -19.879  15.731
   21    HB2  SER   5           HB2      SER   5  89.521 -17.961  14.013
   22    HB3  SER   5           HB1      SER   5  88.898 -19.494  13.412
   23    HG   SER   5           HG       SER   5  87.621 -17.816  12.641
   24    HA   PRO   6           HA       PRO   6  88.960 -16.704  18.811
   25    HB2  PRO   6           HB2      PRO   6  91.637 -16.577  19.363
   26    HB3  PRO   6           HB1      PRO   6  90.593 -17.891  19.940
   27    HG2  PRO   6           HG2      PRO   6  92.501 -17.853  17.662
   28    HG3  PRO   6           HG1      PRO   6  92.120 -19.157  18.796
   29    HD2  PRO   6           HD2      PRO   6  91.145 -19.016  16.240
   30    HD3  PRO   6           HD1      PRO   6  90.337 -19.877  17.568
   31    H    GLY   7           HN       GLY   7  91.864 -16.395  16.717
   32    HA2  GLY   7           HA2      GLY   7  91.053 -13.554  16.233
   33    HA3  GLY   7           HA1      GLY   7  92.737 -14.023  16.471
   34    H    GLY   8           HN       GLY   8  91.040 -12.916  14.095
   35    HA2  GLY   8           HA2      GLY   8  92.253 -13.249  11.860
   36    HA3  GLY   8           HA1      GLY   8  91.914 -14.964  12.099
   37    H    LEU   9           HN       LEU   9  89.803 -12.159  12.714
   38    HA   LEU   9           HA       LEU   9  87.606 -13.487  11.279
   39    HB2  LEU   9           HB2      LEU   9  87.930 -10.834  12.716
   40    HB3  LEU   9           HB1      LEU   9  86.399 -11.413  12.062
   41    HG   LEU   9           HG       LEU   9  86.350 -12.078  14.334
   42   HD11  LEU   9          HD11      LEU   9  87.519 -14.483  12.909
   43   HD12  LEU   9          HD12      LEU   9  85.873 -13.906  12.647
   44   HD13  LEU   9          HD13      LEU   9  86.361 -14.486  14.239
   45   HD21  LEU   9          HD21      LEU   9  89.018 -11.733  14.338
   46   HD22  LEU   9          HD22      LEU   9  88.972 -13.495  14.268
   47   HD23  LEU   9          HD23      LEU   9  88.187 -12.644  15.599
   48    H    GLN  10           HN       GLN  10  89.447 -10.435  10.935
   49    HA   GLN  10           HA       GLN  10  89.556  -8.945   9.087
   50    HB2  GLN  10           HB2      GLN  10  89.731 -11.676   7.770
   51    HB3  GLN  10           HB1      GLN  10  90.372 -10.171   7.113
   52    HG2  GLN  10           HG2      GLN  10  91.341 -10.471   9.792
   53    HG3  GLN  10           HG1      GLN  10  91.648 -11.970   8.914
   54   HE21  GLN  10          HE21      GLN  10  92.045 -10.918   6.291
   55   HE22  GLN  10          HE22      GLN  10  93.449  -9.964   6.296
   56    H    LYS  11           HN       LYS  11  86.893  -9.176   9.777
   57    HA   LYS  11           HA       LYS  11  85.539  -9.422   7.110
   58    HB2  LYS  11           HB2      LYS  11  83.599 -10.301   8.375
   59    HB3  LYS  11           HB1      LYS  11  85.031 -11.299   8.639
   60    HG2  LYS  11           HG2      LYS  11  85.379 -10.451  10.803
   61    HG3  LYS  11           HG1      LYS  11  84.395  -9.019  10.501
   62    HD2  LYS  11           HD2      LYS  11  82.881 -10.256  11.729
   63    HD3  LYS  11           HD1      LYS  11  82.498 -10.855  10.114
   64    HE2  LYS  11           HE2      LYS  11  83.598 -12.891  10.463
   65    HE3  LYS  11           HE1      LYS  11  84.644 -12.220  11.731
   66    HZ1  LYS  11           HZ1      LYS  11  82.765 -11.978  13.173
   67    HZ2  LYS  11           HZ2      LYS  11  82.797 -13.584  12.620
   68    HZ3  LYS  11           HZ3      LYS  11  81.693 -12.476  11.957
   69    H    ARG  12           HN       ARG  12  86.431  -7.349   9.566
   70    HA   ARG  12           HA       ARG  12  84.521  -5.288   8.660
   71    HB2  ARG  12           HB2      ARG  12  84.200  -6.883  11.063
   72    HB3  ARG  12           HB1      ARG  12  84.375  -5.175  11.470
   73    HG2  ARG  12           HG2      ARG  12  82.674  -4.880   9.445
   74    HG3  ARG  12           HG1      ARG  12  82.241  -6.534   9.877
   75    HD2  ARG  12           HD2      ARG  12  82.385  -4.295  11.921
   76    HD3  ARG  12           HD1      ARG  12  80.888  -4.752  11.084
   77    HE   ARG  12           HE       ARG  12  81.970  -7.157  12.021
   78   HH11  ARG  12          HH11      ARG  12  82.290  -4.475  13.920
   79   HH12  ARG  12          HH12      ARG  12  81.218  -4.990  15.180
   80   HH21  ARG  12          HH21      ARG  12  79.991  -7.697  13.394
   81   HH22  ARG  12          HH22      ARG  12  79.917  -6.814  14.882
   82    H    HIS  13           HN       HIS  13  86.554  -4.247   7.991
   83    HA   HIS  13           HA       HIS  13  88.605  -3.684   9.990
   84    HB2  HIS  13           HB2      HIS  13  89.770  -2.786   8.147
   85    HB3  HIS  13           HB1      HIS  13  88.786  -4.048   7.426
   86    HD1  HIS  13           HD1      HIS  13  86.369  -1.562   8.071
   87    HD2  HIS  13           HD2      HIS  13  89.425  -1.917   5.278
   88    HE1  HIS  13           HE1      HIS  13  85.828   0.072   6.223
   89    H    ALA  14           HN       ALA  14  85.629  -2.561   9.960
   90    HA   ALA  14           HA       ALA  14  86.090  -0.201  11.454
   91    HB1  ALA  14           HB1      ALA  14  87.181   0.672   9.487
   92    HB2  ALA  14           HB2      ALA  14  85.600   1.444   9.559
   93    HB3  ALA  14           HB3      ALA  14  85.875   0.107   8.446
   94    H    ARG  15           HN       ARG  15  84.078   0.296  12.357
   95    HA   ARG  15           HA       ARG  15  81.669  -1.008  11.376
   96    HB2  ARG  15           HB2      ARG  15  82.182  -0.320  13.761
   97    HB3  ARG  15           HB1      ARG  15  82.011   1.362  13.257
   98    HG2  ARG  15           HG2      ARG  15  79.693   0.539  12.315
   99    HG3  ARG  15           HG1      ARG  15  79.910  -0.769  13.478
  100    HD2  ARG  15           HD2      ARG  15  80.434   1.986  14.488
  101    HD3  ARG  15           HD1      ARG  15  78.741   1.559  14.169
  102    HE   ARG  15           HE       ARG  15  79.379  -0.605  15.527
  103   HH11  ARG  15          HH21      ARG  15  82.066   0.671  16.232
  104   HH12  ARG  15          HH22      ARG  15  81.732   1.291  17.815
  105   HH21  ARG  15          HH11      ARG  15  78.291   1.018  17.482
  106   HH22  ARG  15          HH12      ARG  15  79.594   1.487  18.523
  107    H    VAL  16           HN       VAL  16  82.248  -0.089   9.119
  108    HA   VAL  16           HA       VAL  16  81.288   2.711   8.783
  109    HB   VAL  16           HB       VAL  16  82.502   2.393   6.552
  110   HG11  VAL  16          HG11      VAL  16  84.775   2.090   8.088
  111   HG12  VAL  16          HG12      VAL  16  83.586   2.643   9.267
  112   HG13  VAL  16          HG13      VAL  16  83.920   3.610   7.830
  113   HG21  VAL  16          HG21      VAL  16  82.408  -0.235   7.111
  114   HG22  VAL  16          HG22      VAL  16  83.972   0.138   7.837
  115   HG23  VAL  16          HG23      VAL  16  83.693   0.467   6.127
  116    H    TPO  17           HN       TPO  17  79.108   2.423   8.557
  117    HA   TPO  17           HA       TPO  17  78.085   0.896   6.176
  118    HB   TPO  17           HB       TPO  17  76.898   1.583   8.904
  119   HG21  TPO  17          HG21      TPO  17  75.256  -0.260   8.116
  120   HG22  TPO  17          HG22      TPO  17  75.971   0.039   6.532
  121   HG23  TPO  17          HG23      TPO  17  75.185   1.353   7.407
  122    H    VAL  18           HN       VAL  18  77.061   1.926   4.968
  123    HA   VAL  18           HA       VAL  18  77.055   4.768   4.896
  124    HB   VAL  18           HB       VAL  18  75.160   3.579   3.120
  125   HG11  VAL  18          HG11      VAL  18  77.214   4.010   1.555
  126   HG12  VAL  18          HG12      VAL  18  77.897   4.768   2.992
  127   HG13  VAL  18          HG13      VAL  18  76.394   5.370   2.309
  128   HG21  VAL  18          HG21      VAL  18  76.577   1.863   2.069
  129   HG22  VAL  18          HG22      VAL  18  76.154   1.411   3.718
  130   HG23  VAL  18          HG23      VAL  18  77.761   2.051   3.362
  131    H    LYS  19           HN       LYS  19  75.485   6.214   5.516
  132    HA   LYS  19           HA       LYS  19  73.029   5.127   6.765
  133    HB2  LYS  19           HB2      LYS  19  74.074   7.972   6.700
  134    HB3  LYS  19           HB1      LYS  19  72.944   7.271   7.859
  135    HG2  LYS  19           HG2      LYS  19  75.232   5.634   7.960
  136    HG3  LYS  19           HG1      LYS  19  75.839   7.290   7.926
  137    HD2  LYS  19           HD2      LYS  19  73.527   7.034   9.679
  138    HD3  LYS  19           HD1      LYS  19  74.832   5.950  10.162
  139    HE2  LYS  19           HE2      LYS  19  76.391   7.763  10.367
  140    HE3  LYS  19           HE1      LYS  19  75.282   8.890   9.560
  141    HZ1  LYS  19           HZ1      LYS  19  74.749   7.474  12.119
  142    HZ2  LYS  19           HZ2      LYS  19  73.681   8.537  11.335
  143    HZ3  LYS  19           HZ3      LYS  19  75.146   9.116  11.971
  144    H    TYR  20           HN       TYR  20  72.540   4.618   4.374
  145    HA   TYR  20           HA       TYR  20  71.072   6.942   3.201
  146    HB2  TYR  20           HB2      TYR  20  72.643   4.772   1.771
  147    HB3  TYR  20           HB1      TYR  20  71.773   6.093   0.992
  148    HD1  TYR  20           HD2      TYR  20  74.406   5.487   3.581
  149    HD2  TYR  20           HD1      TYR  20  72.909   8.072   0.507
  150    HE1  TYR  20           HE2      TYR  20  76.400   6.935   3.829
  151    HE2  TYR  20           HE1      TYR  20  74.895   9.524   0.758
  152    HH   TYR  20           HH       TYR  20  76.591  10.051   2.429
  153    H    ASP  21           HN       ASP  21  69.472   5.652   4.676
  154    HA   ASP  21           HA       ASP  21  68.375   3.308   3.149
  155    HB2  ASP  21           HB2      ASP  21  68.290   4.125   6.070
  156    HB3  ASP  21           HB1      ASP  21  67.361   2.774   5.418
  157    H    ARG  22           HN       ARG  22  67.857   6.389   2.981
  158    HA   ARG  22           HA       ARG  22  64.903   6.131   2.821
  159    HB2  ARG  22           HB2      ARG  22  65.402   6.881   5.110
  160    HB3  ARG  22           HB1      ARG  22  66.390   8.198   4.475
  161    HG2  ARG  22           HG2      ARG  22  64.581   9.479   4.019
  162    HG3  ARG  22           HG1      ARG  22  63.698   8.124   3.314
  163    HD2  ARG  22           HD2      ARG  22  63.027   7.337   5.518
  164    HD3  ARG  22           HD1      ARG  22  64.038   8.567   6.302
  165    HE   ARG  22           HE       ARG  22  62.561  10.227   4.912
  166   HH11  ARG  22          HH11      ARG  22  60.715   8.123   3.881
  167   HH12  ARG  22          HH12      ARG  22  59.427   8.161   5.038
  168   HH21  ARG  22          HH21      ARG  22  61.263   9.886   7.421
  169   HH22  ARG  22          HH22      ARG  22  59.737   9.158   7.043
  170    H    ARG  23           HN       ARG  23  65.194   6.417   0.528
  171    HA   ARG  23           HA       ARG  23  65.232   9.157  -0.384
  172    HB2  ARG  23           HB2      ARG  23  67.665   8.554   0.252
  173    HB3  ARG  23           HB1      ARG  23  67.643   7.521  -1.177
  174    HG2  ARG  23           HG2      ARG  23  68.555   9.770  -1.689
  175    HG3  ARG  23           HG1      ARG  23  67.073   9.446  -2.589
  176    HD2  ARG  23           HD2      ARG  23  67.206  11.752  -1.475
  177    HD3  ARG  23           HD1      ARG  23  65.766  10.799  -1.066
  178    HE   ARG  23           HE       ARG  23  68.069  10.362   0.708
  179   HH11  ARG  23          HH21      ARG  23  65.358  12.360  -0.001
  180   HH12  ARG  23          HH22      ARG  23  64.996  12.691   1.660
  181   HH21  ARG  23          HH11      ARG  23  67.528  10.667   2.892
  182   HH22  ARG  23          HH12      ARG  23  66.224  11.733   3.298
  183    H    GLU  24           HN       GLU  24  65.267   9.197  -2.870
  184    HA   GLU  24           HA       GLU  24  63.550   7.070  -3.889
  185    HB2  GLU  24           HB2      GLU  24  64.513   9.743  -4.615
  186    HB3  GLU  24           HB1      GLU  24  64.363   8.672  -6.009
  187    HG2  GLU  24           HG2      GLU  24  62.243   9.845  -5.625
  188    HG3  GLU  24           HG1      GLU  24  62.044   8.120  -5.311
  189    H    LEU  25           HN       LEU  25  66.971   7.719  -3.891
  190    HA   LEU  25           HA       LEU  25  67.883   6.471  -6.233
  191    HB2  LEU  25           HB2      LEU  25  69.906   5.987  -4.836
  192    HB3  LEU  25           HB1      LEU  25  69.304   7.629  -4.612
  193    HG   LEU  25           HG       LEU  25  67.878   6.403  -2.691
  194   HD11  LEU  25          HD11      LEU  25  68.794   4.185  -3.116
  195   HD12  LEU  25          HD12      LEU  25  69.388   4.762  -1.560
  196   HD13  LEU  25          HD13      LEU  25  70.439   4.804  -2.975
  197   HD21  LEU  25          HD21      LEU  25  70.788   7.116  -2.255
  198   HD22  LEU  25          HD22      LEU  25  69.449   7.308  -1.125
  199   HD23  LEU  25          HD23      LEU  25  69.548   8.334  -2.556
  200    H    GLN  26           HN       GLN  26  69.219   4.194  -5.881
  201    HA   GLN  26           HA       GLN  26  67.303   2.215  -4.699
  202    HB2  GLN  26           HB2      GLN  26  68.445   2.471  -7.470
  203    HB3  GLN  26           HB1      GLN  26  68.019   0.875  -6.849
  204    HG2  GLN  26           HG2      GLN  26  65.859   1.276  -7.324
  205    HG3  GLN  26           HG1      GLN  26  65.877   2.643  -6.208
  206   HE21  GLN  26          HE21      GLN  26  66.010   4.773  -7.103
  207   HE22  GLN  26          HE22      GLN  26  66.002   5.074  -8.773
  208    H    ARG  27           HN       ARG  27  70.181   3.388  -4.153
  209    HA   ARG  27           HA       ARG  27  71.572   0.735  -3.978
  210    HB2  ARG  27           HB2      ARG  27  72.881   3.453  -3.851
  211    HB3  ARG  27           HB1      ARG  27  73.596   1.914  -4.326
  212    HG2  ARG  27           HG2      ARG  27  71.653   3.625  -5.888
  213    HG3  ARG  27           HG1      ARG  27  73.268   3.099  -6.364
  214    HD2  ARG  27           HD2      ARG  27  71.867   0.716  -5.822
  215    HD3  ARG  27           HD1      ARG  27  70.739   1.729  -6.745
  216    HE   ARG  27           HE       ARG  27  73.412   1.852  -7.854
  217   HH11  ARG  27          HH11      ARG  27  70.609   1.607  -9.191
  218   HH12  ARG  27          HH12      ARG  27  70.809   0.106 -10.030
  219   HH21  ARG  27          HH21      ARG  27  73.655  -0.805  -8.271
  220   HH22  ARG  27          HH22      ARG  27  72.533  -1.260  -9.509
  221    H    ARG  28           HN       ARG  28  69.670   2.340  -2.057
  222    HA   ARG  28           HA       ARG  28  71.372   2.950   0.243
  223    HB2  ARG  28           HB2      ARG  28  68.952   2.984   1.294
  224    HB3  ARG  28           HB1      ARG  28  69.444   4.242   0.163
  225    HG2  ARG  28           HG2      ARG  28  68.020   3.506  -1.469
  226    HG3  ARG  28           HG1      ARG  28  68.265   1.809  -1.064
  227    HD2  ARG  28           HD2      ARG  28  66.911   2.314   1.085
  228    HD3  ARG  28           HD1      ARG  28  66.404   3.794   0.247
  229    HE   ARG  28           HE       ARG  28  66.134   1.603  -1.559
  230   HH11  ARG  28          HH21      ARG  28  64.966   2.307   1.579
  231   HH12  ARG  28          HH22      ARG  28  63.321   1.905   1.215
  232   HH21  ARG  28          HH11      ARG  28  63.930   1.322  -2.149
  233   HH22  ARG  28          HH12      ARG  28  62.734   1.347  -0.895
  234    H    LEU  29           HN       LEU  29  68.834   0.445  -0.306
  235    HA   LEU  29           HA       LEU  29  69.293  -1.077   2.035
  236    HB2  LEU  29           HB2      LEU  29  68.378  -1.653  -0.781
  237    HB3  LEU  29           HB1      LEU  29  68.574  -2.988   0.356
  238    HG   LEU  29           HG       LEU  29  66.274  -2.216   0.468
  239   HD11  LEU  29          HD11      LEU  29  67.894  -2.541   2.623
  240   HD12  LEU  29          HD12      LEU  29  66.164  -2.220   2.753
  241   HD13  LEU  29          HD13      LEU  29  67.321  -0.898   2.911
  242   HD21  LEU  29          HD21      LEU  29  65.652   0.043   0.774
  243   HD22  LEU  29          HD22      LEU  29  66.980   0.133  -0.383
  244   HD23  LEU  29          HD23      LEU  29  67.265   0.504   1.318
  245    H    ASP  30           HN       ASP  30  70.835  -1.187  -1.146
  246    HA   ASP  30           HA       ASP  30  72.747  -3.264  -0.521
  247    HB2  ASP  30           HB2      ASP  30  71.833  -1.931  -2.749
  248    HB3  ASP  30           HB1      ASP  30  73.427  -1.206  -2.535
  249    H    VAL  31           HN       VAL  31  72.516   0.169   0.061
  250    HA   VAL  31           HA       VAL  31  75.219   0.930   0.319
  251    HB   VAL  31           HB       VAL  31  72.678   1.960   0.755
  252   HG11  VAL  31          HG11      VAL  31  74.163   1.762   3.376
  253   HG12  VAL  31          HG12      VAL  31  72.474   1.382   3.043
  254   HG13  VAL  31          HG13      VAL  31  73.013   3.059   3.060
  255   HG21  VAL  31          HG21      VAL  31  74.056   3.563  -0.038
  256   HG22  VAL  31          HG22      VAL  31  75.456   2.923   0.825
  257   HG23  VAL  31          HG23      VAL  31  74.297   3.957   1.662
  258    H    GLU  32           HN       GLU  32  73.038  -0.244   2.912
  259    HA   GLU  32           HA       GLU  32  75.213  -0.538   4.824
  260    HB2  GLU  32           HB2      GLU  32  72.360  -1.550   4.665
  261    HB3  GLU  32           HB1      GLU  32  73.381  -1.743   6.092
  262    HG2  GLU  32           HG2      GLU  32  73.715   0.744   6.120
  263    HG3  GLU  32           HG1      GLU  32  72.550   0.873   4.803
  264    H    LYS  33           HN       LYS  33  73.544  -2.740   2.594
  265    HA   LYS  33           HA       LYS  33  74.826  -5.146   3.598
  266    HB2  LYS  33           HB2      LYS  33  72.699  -4.453   1.970
  267    HB3  LYS  33           HB1      LYS  33  73.857  -5.140   0.830
  268    HG2  LYS  33           HG2      LYS  33  74.106  -7.054   2.565
  269    HG3  LYS  33           HG1      LYS  33  72.597  -6.440   3.240
  270    HD2  LYS  33           HD2      LYS  33  71.505  -6.689   1.042
  271    HD3  LYS  33           HD1      LYS  33  73.014  -7.301   0.362
  272    HE2  LYS  33           HE2      LYS  33  72.727  -8.948   2.532
  273    HE3  LYS  33           HE1      LYS  33  71.034  -8.685   2.066
  274    HZ1  LYS  33           HZ1      LYS  33  71.869  -9.034  -0.301
  275    HZ2  LYS  33           HZ2      LYS  33  71.740 -10.413   0.684
  276    HZ3  LYS  33           HZ3      LYS  33  73.259  -9.705   0.403
  277    H    TRP  34           HN       TRP  34  75.577  -2.846   0.961
  278    HA   TRP  34           HA       TRP  34  77.588  -4.509  -0.271
  279    HB2  TRP  34           HB2      TRP  34  77.779  -2.721  -1.706
  280    HB3  TRP  34           HB1      TRP  34  76.274  -2.237  -0.939
  281    HD1  TRP  34           HD1      TRP  34  76.290  -0.128   0.515
  282    HE1  TRP  34           HE1      TRP  34  78.081   1.597   1.145
  283    HE3  TRP  34           HE3      TRP  34  80.445  -2.493  -1.258
  284    HZ2  TRP  34           HZ2      TRP  34  80.844   1.908   0.856
  285    HZ3  TRP  34           HZ3      TRP  34  82.660  -1.410  -1.068
  286    HH2  TRP  34           HH2      TRP  34  82.865   0.812   0.022
  287    H    ILE  35           HN       ILE  35  77.897  -1.691   1.972
  288    HA   ILE  35           HA       ILE  35  80.771  -1.962   2.100
  289    HB   ILE  35           HB       ILE  35  78.962  -0.053   2.677
  290   HG12  ILE  35          HG12      ILE  35  81.514   0.015   2.383
  291   HG13  ILE  35          HG11      ILE  35  80.806   1.234   3.440
  292   HG21  ILE  35          HG21      ILE  35  79.038   0.326   5.132
  293   HG22  ILE  35          HG22      ILE  35  79.783  -1.257   5.332
  294   HG23  ILE  35          HG23      ILE  35  78.140  -1.127   4.702
  295   HD11  ILE  35          HD11      ILE  35  81.376  -1.153   4.955
  296   HD12  ILE  35          HD12      ILE  35  82.001   0.480   5.187
  297   HD13  ILE  35          HD13      ILE  35  82.824  -0.632   4.094
  298    H    ASP  36           HN       ASP  36  78.183  -2.960   4.398
  299    HA   ASP  36           HA       ASP  36  79.882  -4.000   6.420
  300    HB2  ASP  36           HB2      ASP  36  77.395  -3.682   6.489
  301    HB3  ASP  36           HB1      ASP  36  77.221  -5.076   5.422
  302    H    GLY  37           HN       GLY  37  78.597  -5.547   3.480
  303    HA2  GLY  37           HA2      GLY  37  79.868  -8.101   3.984
  304    HA3  GLY  37           HA1      GLY  37  79.176  -7.582   2.444
  305    H    ARG  38           HN       ARG  38  80.886  -5.067   2.687
  306    HA   ARG  38           HA       ARG  38  83.075  -5.970   1.069
  307    HB2  ARG  38           HB2      ARG  38  81.833  -3.569   1.880
  308    HB3  ARG  38           HB1      ARG  38  83.518  -3.431   2.380
  309    HG2  ARG  38           HG2      ARG  38  83.326  -2.602   0.108
  310    HG3  ARG  38           HG1      ARG  38  84.202  -4.131   0.071
  311    HD2  ARG  38           HD2      ARG  38  81.242  -4.325  -0.188
  312    HD3  ARG  38           HD1      ARG  38  82.114  -3.639  -1.572
  313    HE   ARG  38           HE       ARG  38  83.670  -5.743  -1.172
  314   HH11  ARG  38          HH21      ARG  38  80.955  -5.799  -2.773
  315   HH12  ARG  38          HH22      ARG  38  80.355  -7.339  -2.254
  316   HH21  ARG  38          HH11      ARG  38  82.603  -7.626   0.370
  317   HH22  ARG  38          HH12      ARG  38  81.288  -8.373  -0.474
  318    H    LEU  39           HN       LEU  39  83.347  -4.328   4.270
  319    HA   LEU  39           HA       LEU  39  85.976  -5.193   4.804
  320    HB2  LEU  39           HB2      LEU  39  83.583  -4.626   6.577
  321    HB3  LEU  39           HB1      LEU  39  85.211  -4.859   7.208
  322    HG   LEU  39           HG       LEU  39  85.273  -2.577   6.951
  323   HD11  LEU  39          HD11      LEU  39  87.031  -3.332   5.479
  324   HD12  LEU  39          HD12      LEU  39  86.221  -1.989   4.674
  325   HD13  LEU  39          HD13      LEU  39  85.884  -3.639   4.179
  326   HD21  LEU  39          HD21      LEU  39  83.677  -2.571   4.408
  327   HD22  LEU  39          HD22      LEU  39  83.813  -1.317   5.638
  328   HD23  LEU  39          HD23      LEU  39  82.852  -2.761   5.954
  329    H    GLU  40           HN       GLU  40  82.927  -6.930   4.989
  330    HA   GLU  40           HA       GLU  40  83.772  -9.118   6.644
  331    HB2  GLU  40           HB2      GLU  40  81.442  -8.507   5.854
  332    HB3  GLU  40           HB1      GLU  40  81.883  -9.143   4.268
  333    HG2  GLU  40           HG2      GLU  40  80.917 -11.026   5.230
  334    HG3  GLU  40           HG1      GLU  40  82.608 -11.265   5.671
  335    H    GLU  41           HN       GLU  41  84.166  -8.379   3.218
  336    HA   GLU  41           HA       GLU  41  85.506 -10.963   2.656
  337    HB2  GLU  41           HB2      GLU  41  83.949 -10.108   1.009
  338    HB3  GLU  41           HB1      GLU  41  84.717  -8.520   1.035
  339    HG2  GLU  41           HG2      GLU  41  86.217  -9.160  -0.510
  340    HG3  GLU  41           HG1      GLU  41  86.685 -10.553   0.464
  341    H    LEU  42           HN       LEU  42  86.262  -7.629   1.776
  342    HA   LEU  42           HA       LEU  42  88.756  -7.332   1.179
  343    HB2  LEU  42           HB2      LEU  42  86.951  -5.820   2.587
  344    HB3  LEU  42           HB1      LEU  42  88.290  -5.908   3.723
  345    HG   LEU  42           HG       LEU  42  89.751  -4.787   2.302
  346   HD11  LEU  42          HD11      LEU  42  89.816  -5.926   0.291
  347   HD12  LEU  42          HD12      LEU  42  88.923  -4.497  -0.218
  348   HD13  LEU  42          HD13      LEU  42  88.061  -5.989   0.149
  349   HD21  LEU  42          HD21      LEU  42  88.632  -2.837   2.347
  350   HD22  LEU  42          HD22      LEU  42  87.125  -3.728   2.562
  351   HD23  LEU  42          HD23      LEU  42  87.689  -3.326   0.940
  352    H    TYR  43           HN       TYR  43  88.875  -6.953   4.651
  353    HA   TYR  43           HA       TYR  43  90.120  -9.352   5.467
  354    HB2  TYR  43           HB2      TYR  43  92.553  -8.533   5.159
  355    HB3  TYR  43           HB1      TYR  43  91.720  -9.135   3.729
  356    HD1  TYR  43           HD1      TYR  43  92.707  -6.034   5.555
  357    HD2  TYR  43           HD2      TYR  43  91.216  -7.708   1.912
  358    HE1  TYR  43           HE1      TYR  43  92.986  -3.840   4.428
  359    HE2  TYR  43           HE2      TYR  43  91.495  -5.526   0.780
  360    HH   TYR  43           HH       TYR  43  92.114  -3.431   0.985
  361    H    ARG  44           HN       ARG  44  90.698  -5.778   5.589
  362    HA   ARG  44           HA       ARG  44  91.091  -4.423   7.510
  363    HB2  ARG  44           HB2      ARG  44  88.943  -5.204   8.267
  364    HB3  ARG  44           HB1      ARG  44  89.590  -6.793   8.649
  365    HG2  ARG  44           HG2      ARG  44  89.237  -5.144  10.618
  366    HG3  ARG  44           HG1      ARG  44  90.767  -6.010  10.531
  367    HD2  ARG  44           HD2      ARG  44  91.689  -3.962   9.253
  368    HD3  ARG  44           HD1      ARG  44  90.234  -3.111   9.802
  369    HE   ARG  44           HE       ARG  44  91.305  -2.979  11.893
  370   HH11  ARG  44          HH11      ARG  44  90.775  -5.808  12.570
  371   HH12  ARG  44          HH12      ARG  44  92.364  -6.446  12.829
  372   HH21  ARG  44          HH21      ARG  44  93.968  -3.825  11.224
  373   HH22  ARG  44          HH22      ARG  44  94.171  -5.325  12.067
  374    H    GLY  45           HN       GLY  45  93.340  -4.401   7.931
  375    HA2  GLY  45           HA2      GLY  45  94.754  -5.158   9.955
  376    HA3  GLY  45           HA1      GLY  45  94.440  -6.788   9.363
  377    H    ARG  46           HN       ARG  46  94.704  -4.734   6.744
  378    HA   ARG  46           HA       ARG  46  97.661  -4.930   6.569
  379    HB2  ARG  46           HB2      ARG  46  97.275  -6.039   4.269
  380    HB3  ARG  46           HB1      ARG  46  97.014  -7.046   5.692
  381    HG2  ARG  46           HG2      ARG  46  94.541  -5.915   5.373
  382    HG3  ARG  46           HG1      ARG  46  95.071  -6.069   3.701
  383    HD2  ARG  46           HD2      ARG  46  94.747  -8.255   5.766
  384    HD3  ARG  46           HD1      ARG  46  94.044  -8.157   4.140
  385    HE   ARG  46           HE       ARG  46  96.583  -8.180   3.416
  386   HH11  ARG  46          HH21      ARG  46  96.192  -9.163   6.577
  387   HH12  ARG  46          HH22      ARG  46  96.875 -10.742   6.368
  388   HH21  ARG  46          HH11      ARG  46  97.017 -10.511   2.911
  389   HH22  ARG  46          HH12      ARG  46  97.342 -11.505   4.292
  390    H    GLU  47           HN       GLU  47  94.793  -4.246   4.491
  391    HA   GLU  47           HA       GLU  47  96.160  -1.693   3.705
  392    HB2  GLU  47           HB2      GLU  47  94.329  -3.634   2.280
  393    HB3  GLU  47           HB1      GLU  47  94.786  -2.073   1.600
  394    HG2  GLU  47           HG2      GLU  47  96.777  -4.171   2.504
  395    HG3  GLU  47           HG1      GLU  47  96.233  -3.994   0.835
  396    H    ALA  48           HN       ALA  48  92.913  -2.511   2.833
  397    HA   ALA  48           HA       ALA  48  91.667  -0.131   3.481
  398    HB1  ALA  48           HB1      ALA  48  90.767  -2.062   2.178
  399    HB2  ALA  48           HB2      ALA  48  89.612  -1.451   3.362
  400    HB3  ALA  48           HB3      ALA  48  90.517  -2.927   3.693
  401    H    ASP  49           HN       ASP  49  92.866  -2.445   5.747
  402    HA   ASP  49           HA       ASP  49  91.562  -2.731   7.980
  403    HB2  ASP  49           HB2      ASP  49  94.098  -2.428   7.635
  404    HB3  ASP  49           HB1      ASP  49  93.836  -0.746   8.098
  405    H    MET  50           HN       MET  50  92.147   0.554   6.762
  406    HA   MET  50           HA       MET  50  90.681   1.893   8.901
  407    HB2  MET  50           HB2      MET  50  91.882   2.590   6.232
  408    HB3  MET  50           HB1      MET  50  90.844   3.759   7.047
  409    HG2  MET  50           HG2      MET  50  93.161   4.170   7.688
  410    HG3  MET  50           HG1      MET  50  92.276   3.551   9.083
  411    HE1  MET  50           HE1      MET  50  92.136   1.617   9.903
  412    HE2  MET  50           HE2      MET  50  93.738   1.228  10.519
  413    HE3  MET  50           HE3      MET  50  92.909   0.091   9.463
  414    HA   PRO  51           HA       PRO  51  86.577   1.683   7.372
  415    HB2  PRO  51           HB2      PRO  51  85.664   4.257   7.629
  416    HB3  PRO  51           HB1      PRO  51  85.946   3.183   9.014
  417    HG2  PRO  51           HG2      PRO  51  87.666   5.360   7.930
  418    HG3  PRO  51           HG1      PRO  51  87.323   4.926   9.612
  419    HD2  PRO  51           HD2      PRO  51  89.626   4.240   8.348
  420    HD3  PRO  51           HD1      PRO  51  88.903   3.262   9.645
  421    H    ASP  52           HN       ASP  52  85.087   2.380   5.597
  422    HA   ASP  52           HA       ASP  52  85.976   4.280   3.578
  423    HB2  ASP  52           HB2      ASP  52  87.346   1.937   3.590
  424    HB3  ASP  52           HB1      ASP  52  86.016   1.512   2.512
  425    H    GLU  53           HN       GLU  53  83.857   5.037   3.277
  426    HA   GLU  53           HA       GLU  53  82.007   3.419   1.736
  427    HB2  GLU  53           HB2      GLU  53  80.343   3.062   3.395
  428    HB3  GLU  53           HB1      GLU  53  81.860   2.581   4.146
  429    HG2  GLU  53           HG2      GLU  53  80.351   5.176   4.547
  430    HG3  GLU  53           HG1      GLU  53  80.677   3.930   5.751
  431    H    VAL  54           HN       VAL  54  81.296   5.017   0.362
  432    HA   VAL  54           HA       VAL  54  79.962   7.410   1.449
  433    HB   VAL  54           HB       VAL  54  81.576   8.963   0.379
  434   HG11  VAL  54          HG11      VAL  54  81.858   8.161   2.776
  435   HG12  VAL  54          HG12      VAL  54  83.322   8.767   2.004
  436   HG13  VAL  54          HG13      VAL  54  83.067   7.031   2.165
  437   HG21  VAL  54          HG21      VAL  54  83.111   8.219  -1.102
  438   HG22  VAL  54          HG22      VAL  54  82.380   6.620  -0.964
  439   HG23  VAL  54          HG23      VAL  54  83.741   7.058   0.067
  440    H    ASN  55           HN       ASN  55  80.995   5.495  -1.310
  441    HA   ASN  55           HA       ASN  55  80.250   6.799  -3.578
  442    HB2  ASN  55           HB2      ASN  55  80.589   4.705  -4.307
  443    HB3  ASN  55           HB1      ASN  55  80.493   4.132  -2.646
  444   HD21  ASN  55          HD21      ASN  55  78.843   2.643  -2.265
  445   HD22  ASN  55          HD22      ASN  55  77.448   2.473  -3.218
  446    H    ILE  56           HN       ILE  56  77.773   4.851  -1.894
  447    HA   ILE  56           HA       ILE  56  75.510   5.522  -3.271
  448    HB   ILE  56           HB       ILE  56  74.334   4.991  -1.250
  449   HG12  ILE  56          HG12      ILE  56  75.390   6.656   0.209
  450   HG13  ILE  56          HG11      ILE  56  75.493   5.062   0.941
  451   HG21  ILE  56          HG21      ILE  56  75.194   2.903  -1.228
  452   HG22  ILE  56          HG22      ILE  56  76.701   3.467  -0.505
  453   HG23  ILE  56          HG23      ILE  56  76.485   3.517  -2.252
  454   HD11  ILE  56          HD11      ILE  56  77.651   6.178   1.159
  455   HD12  ILE  56          HD12      ILE  56  77.699   6.483  -0.571
  456   HD13  ILE  56          HD13      ILE  56  77.808   4.833   0.030
  457    H    ASP  57           HN       ASP  57  77.249   7.733  -1.139
  458    HA   ASP  57           HA       ASP  57  75.209   9.639  -0.657
  459    HB2  ASP  57           HB2      ASP  57  77.421   9.620   0.408
  460    HB3  ASP  57           HB1      ASP  57  78.183   9.982  -1.141
  461    H    GLU  58           HN       GLU  58  77.638   9.675  -3.283
  462    HA   GLU  58           HA       GLU  58  76.581  11.923  -4.669
  463    HB2  GLU  58           HB2      GLU  58  78.655  10.061  -4.862
  464    HB3  GLU  58           HB1      GLU  58  77.740   9.861  -6.355
  465    HG2  GLU  58           HG2      GLU  58  79.253  11.577  -6.902
  466    HG3  GLU  58           HG1      GLU  58  77.790  12.462  -6.469
  467    H    LEU  59           HN       LEU  59  76.268   8.483  -5.663
  468    HA   LEU  59           HA       LEU  59  74.234   8.913  -7.593
  469    HB2  LEU  59           HB2      LEU  59  74.144   6.566  -7.653
  470    HB3  LEU  59           HB1      LEU  59  75.747   6.871  -7.003
  471    HG   LEU  59           HG       LEU  59  74.352   6.824  -4.697
  472   HD11  LEU  59          HD11      LEU  59  72.717   4.959  -4.847
  473   HD12  LEU  59          HD12      LEU  59  72.926   4.938  -6.598
  474   HD13  LEU  59          HD13      LEU  59  72.216   6.347  -5.811
  475   HD21  LEU  59          HD21      LEU  59  76.249   5.448  -4.899
  476   HD22  LEU  59          HD22      LEU  59  75.620   4.640  -6.329
  477   HD23  LEU  59          HD23      LEU  59  74.941   4.275  -4.746
  478    H    LEU  60           HN       LEU  60  73.983   8.507  -4.080
  479    HA   LEU  60           HA       LEU  60  71.228   7.925  -3.834
  480    HB2  LEU  60           HB2      LEU  60  72.445   7.909  -1.841
  481    HB3  LEU  60           HB1      LEU  60  73.297   9.401  -2.237
  482    HG   LEU  60           HG       LEU  60  70.441   9.876  -2.042
  483   HD11  LEU  60          HD11      LEU  60  69.878   8.997  -0.027
  484   HD12  LEU  60          HD12      LEU  60  71.470   9.322   0.660
  485   HD13  LEU  60          HD13      LEU  60  71.210   7.878  -0.319
  486   HD21  LEU  60          HD21      LEU  60  72.775  10.863  -0.373
  487   HD22  LEU  60          HD22      LEU  60  71.203  11.644  -0.543
  488   HD23  LEU  60          HD23      LEU  60  72.297  11.554  -1.924
  489    H    GLU  61           HN       GLU  61  72.819  11.127  -3.967
  490    HA   GLU  61           HA       GLU  61  70.608  12.273  -5.498
  491    HB2  GLU  61           HB2      GLU  61  70.396  12.083  -2.682
  492    HB3  GLU  61           HB1      GLU  61  70.737  13.778  -3.034
  493    HG2  GLU  61           HG2      GLU  61  68.848  12.835  -4.963
  494    HG3  GLU  61           HG1      GLU  61  68.269  12.382  -3.359
  495    H    LEU  62           HN       LEU  62  72.828  12.597  -6.613
  496    HA   LEU  62           HA       LEU  62  73.896  15.261  -5.772
  497    HB2  LEU  62           HB2      LEU  62  75.150  12.907  -5.188
  498    HB3  LEU  62           HB1      LEU  62  75.862  13.279  -6.758
  499    HG   LEU  62           HG       LEU  62  75.727  15.671  -5.140
  500   HD11  LEU  62          HD11      LEU  62  77.139  15.067  -3.307
  501   HD12  LEU  62          HD12      LEU  62  77.423  13.457  -3.967
  502   HD13  LEU  62          HD13      LEU  62  75.836  13.878  -3.323
  503   HD21  LEU  62          HD21      LEU  62  77.509  15.972  -6.487
  504   HD22  LEU  62          HD22      LEU  62  77.489  14.268  -6.943
  505   HD23  LEU  62          HD23      LEU  62  78.395  14.790  -5.523
  506    H    GLU  63           HN       GLU  63  73.957  12.718  -8.286
  507    HA   GLU  63           HA       GLU  63  73.553  13.003 -10.625
  508    HB2  GLU  63           HB2      GLU  63  72.573  15.300  -9.595
  509    HB3  GLU  63           HB1      GLU  63  73.980  15.950 -10.438
  510    HG2  GLU  63           HG2      GLU  63  72.974  14.234 -12.321
  511    HG3  GLU  63           HG1      GLU  63  71.496  14.796 -11.539
  512    H    SER  64           HN       SER  64  76.152  13.203  -8.860
  513    HA   SER  64           HA       SER  64  77.950  14.063 -11.090
  514    HB2  SER  64           HB2      SER  64  77.776  15.224  -8.696
  515    HB3  SER  64           HB1      SER  64  78.842  13.899  -8.239
  516    HG   SER  64           HG       SER  64  79.717  16.022  -9.157
  517    H    GLU  65           HN       GLU  65  79.327  12.495 -11.863
  518    HA   GLU  65           HA       GLU  65  79.150   9.802 -11.599
  519    HB2  GLU  65           HB2      GLU  65  81.700   9.830 -11.953
  520    HB3  GLU  65           HB1      GLU  65  80.731  10.762 -13.096
  521    HG2  GLU  65           HG2      GLU  65  81.206  12.823 -11.924
  522    HG3  GLU  65           HG1      GLU  65  81.999  11.949 -10.613
  523    H    GLU  66           HN       GLU  66  80.044   8.160 -10.252
  524    HA   GLU  66           HA       GLU  66  79.852   8.309  -7.513
  525    HB2  GLU  66           HB2      GLU  66  81.479   6.350  -7.597
  526    HB3  GLU  66           HB1      GLU  66  80.101   6.240  -8.688
  527    HG2  GLU  66           HG2      GLU  66  81.984   7.625 -10.183
  528    HG3  GLU  66           HG1      GLU  66  82.951   6.434  -9.314
  529    H    GLU  67           HN       GLU  67  80.898  10.658  -7.362
  530    HA   GLU  67           HA       GLU  67  83.760  10.929  -7.303
  531    HB2  GLU  67           HB2      GLU  67  81.642  12.590  -7.170
  532    HB3  GLU  67           HB1      GLU  67  82.001  12.474  -5.447
  533    HG2  GLU  67           HG2      GLU  67  83.246  14.346  -6.361
  534    HG3  GLU  67           HG1      GLU  67  84.386  13.059  -5.967
  535    H    ARG  68           HN       ARG  68  81.341  10.206  -4.774
  536    HA   ARG  68           HA       ARG  68  83.167   9.976  -2.583
  537    HB2  ARG  68           HB2      ARG  68  80.529   8.572  -3.137
  538    HB3  ARG  68           HB1      ARG  68  81.270   8.777  -1.549
  539    HG2  ARG  68           HG2      ARG  68  80.985  11.280  -3.076
  540    HG3  ARG  68           HG1      ARG  68  79.453  10.516  -2.650
  541    HD2  ARG  68           HD2      ARG  68  79.923  10.607  -0.322
  542    HD3  ARG  68           HD1      ARG  68  81.648  10.915  -0.602
  543    HE   ARG  68           HE       ARG  68  79.561  12.882  -1.460
  544   HH11  ARG  68          HH11      ARG  68  81.733  12.230   1.006
  545   HH12  ARG  68          HH12      ARG  68  82.555  13.753   0.928
  546   HH21  ARG  68          HH21      ARG  68  80.956  14.768  -1.977
  547   HH22  ARG  68          HH22      ARG  68  82.115  15.190  -0.761
  548    H    SER  69           HN       SER  69  81.786   7.479  -4.766
  549    HA   SER  69           HA       SER  69  83.000   5.181  -3.738
  550    HB2  SER  69           HB2      SER  69  82.337   4.284  -5.748
  551    HB3  SER  69           HB1      SER  69  81.539   5.842  -5.926
  552    HG   SER  69           HG       SER  69  83.561   6.550  -6.917
  553    H    ARG  70           HN       ARG  70  84.434   7.771  -5.698
  554    HA   ARG  70           HA       ARG  70  86.983   6.416  -6.060
  555    HB2  ARG  70           HB2      ARG  70  85.669   8.927  -6.720
  556    HB3  ARG  70           HB1      ARG  70  87.340   9.200  -6.220
  557    HG2  ARG  70           HG2      ARG  70  88.098   7.478  -7.829
  558    HG3  ARG  70           HG1      ARG  70  86.429   7.238  -8.347
  559    HD2  ARG  70           HD2      ARG  70  86.317   9.325  -9.408
  560    HD3  ARG  70           HD1      ARG  70  87.625  10.005  -8.420
  561    HE   ARG  70           HE       ARG  70  88.534   7.734  -9.978
  562   HH11  ARG  70          HH21      ARG  70  89.933  10.413  -9.362
  563   HH12  ARG  70          HH22      ARG  70  90.076  11.068 -10.959
  564   HH21  ARG  70          HH11      ARG  70  87.788   8.867 -12.353
  565   HH22  ARG  70          HH12      ARG  70  88.861  10.193 -12.652
  566    H    LYS  71           HN       LYS  71  85.583   8.579  -3.630
  567    HA   LYS  71           HA       LYS  71  87.971   9.252  -2.201
  568    HB2  LYS  71           HB2      LYS  71  85.494  10.077  -2.045
  569    HB3  LYS  71           HB1      LYS  71  85.287   8.732  -0.922
  570    HG2  LYS  71           HG2      LYS  71  86.482   9.757   0.715
  571    HG3  LYS  71           HG1      LYS  71  87.690  10.363  -0.419
  572    HD2  LYS  71           HD2      LYS  71  86.298  12.210  -1.052
  573    HD3  LYS  71           HD1      LYS  71  84.905  11.529  -0.210
  574    HE2  LYS  71           HE2      LYS  71  85.528  12.571   1.700
  575    HE3  LYS  71           HE1      LYS  71  87.114  11.775   1.638
  576    HZ1  LYS  71           HZ1      LYS  71  86.423  14.070  -0.103
  577    HZ2  LYS  71           HZ2      LYS  71  87.962  13.428   0.224
  578    HZ3  LYS  71           HZ3      LYS  71  87.123  14.284   1.427
  579    H    ILE  72           HN       ILE  72  85.551   6.684  -1.476
  580    HA   ILE  72           HA       ILE  72  86.960   5.376   0.584
  581    HB   ILE  72           HB       ILE  72  85.734   3.320  -0.375
  582   HG12  ILE  72          HG12      ILE  72  83.905   4.406  -2.052
  583   HG13  ILE  72          HG11      ILE  72  85.322   5.351  -2.495
  584   HG21  ILE  72          HG21      ILE  72  83.563   5.206  -0.215
  585   HG22  ILE  72          HG22      ILE  72  84.801   5.629   0.969
  586   HG23  ILE  72          HG23      ILE  72  84.084   4.017   0.979
  587   HD11  ILE  72          HD11      ILE  72  86.384   3.565  -3.421
  588   HD12  ILE  72          HD12      ILE  72  84.764   2.883  -3.510
  589   HD13  ILE  72          HD13      ILE  72  85.824   2.462  -2.165
  590    H    GLN  73           HN       GLN  73  87.234   5.074  -2.939
  591    HA   GLN  73           HA       GLN  73  89.167   2.967  -3.022
  592    HB2  GLN  73           HB2      GLN  73  87.743   4.553  -4.792
  593    HB3  GLN  73           HB1      GLN  73  89.398   5.113  -5.033
  594    HG2  GLN  73           HG2      GLN  73  89.046   2.173  -4.867
  595    HG3  GLN  73           HG1      GLN  73  88.370   2.949  -6.300
  596   HE21  GLN  73          HE21      GLN  73  91.384   3.416  -4.353
  597   HE22  GLN  73          HE22      GLN  73  92.419   3.425  -5.697
  598    H    GLY  74           HN       GLY  74  89.321   6.322  -2.174
  599    HA2  GLY  74           HA2      GLY  74  92.156   6.712  -2.578
  600    HA3  GLY  74           HA1      GLY  74  91.115   7.713  -1.560
  601    H    LEU  75           HN       LEU  75  90.153   5.931   0.297
  602    HA   LEU  75           HA       LEU  75  92.519   5.504   1.975
  603    HB2  LEU  75           HB2      LEU  75  90.468   6.251   2.981
  604    HB3  LEU  75           HB1      LEU  75  89.563   4.933   2.241
  605    HG   LEU  75           HG       LEU  75  91.840   4.042   3.889
  606   HD11  LEU  75          HD11      LEU  75  89.675   4.615   5.695
  607   HD12  LEU  75          HD12      LEU  75  90.193   6.111   4.919
  608   HD13  LEU  75          HD13      LEU  75  91.360   5.125   5.800
  609   HD21  LEU  75          HD21      LEU  75  89.733   2.718   4.826
  610   HD22  LEU  75          HD22      LEU  75  90.434   2.309   3.260
  611   HD23  LEU  75          HD23      LEU  75  88.987   3.313   3.343
  612    H    LEU  76           HN       LEU  76  90.303   3.476   0.107
  613    HA   LEU  76           HA       LEU  76  91.605   0.985   1.032
  614    HB2  LEU  76           HB2      LEU  76  89.110   1.849  -0.135
  615    HB3  LEU  76           HB1      LEU  76  89.800   0.555  -1.115
  616    HG   LEU  76           HG       LEU  76  90.185  -0.690   1.100
  617   HD11  LEU  76          HD11      LEU  76  89.113   1.775   2.072
  618   HD12  LEU  76          HD12      LEU  76  89.633   0.373   3.005
  619   HD13  LEU  76          HD13      LEU  76  87.963   0.493   2.451
  620   HD21  LEU  76          HD21      LEU  76  88.498  -1.607  -0.231
  621   HD22  LEU  76          HD22      LEU  76  87.531  -0.132  -0.195
  622   HD23  LEU  76          HD23      LEU  76  87.596  -1.179   1.223
  623    H    LYS  77           HN       LYS  77  92.083   3.327  -1.373
  624    HA   LYS  77           HA       LYS  77  92.733   2.319  -3.778
  625    HB2  LYS  77           HB2      LYS  77  93.420   4.523  -3.252
  626    HB3  LYS  77           HB1      LYS  77  94.381   3.985  -1.876
  627    HG2  LYS  77           HG2      LYS  77  96.030   2.985  -3.324
  628    HG3  LYS  77           HG1      LYS  77  95.016   3.246  -4.744
  629    HD2  LYS  77           HD2      LYS  77  95.286   5.619  -4.619
  630    HD3  LYS  77           HD1      LYS  77  95.998   5.520  -3.008
  631    HE2  LYS  77           HE2      LYS  77  98.069   4.955  -3.820
  632    HE3  LYS  77           HE1      LYS  77  97.391   3.969  -5.132
  633    HZ1  LYS  77           HZ1      LYS  77  97.095   6.915  -5.052
  634    HZ2  LYS  77           HZ2      LYS  77  96.841   5.870  -6.367
  635    HZ3  LYS  77           HZ3      LYS  77  98.417   6.168  -5.808
  636    H    SER  78           HN       SER  78  94.610   1.591  -0.839
  637    HA   SER  78           HA       SER  78  96.766   0.164  -1.863
  638    HB2  SER  78           HB2      SER  78  95.204   0.327   0.580
  639    HB3  SER  78           HB1      SER  78  95.808  -1.308   0.332
  640    HG   SER  78           HG       SER  78  97.141   0.979   0.979
  641    H    CYS  79           HN       CYS  79  93.686  -1.394  -0.862
  642    HA   CYS  79           HA       CYS  79  92.653  -3.367  -1.657
  643    HB2  CYS  79           HB2      CYS  79  92.346  -2.162  -3.673
  644    HB3  CYS  79           HB1      CYS  79  94.067  -2.193  -4.052
  645    HG   CYS  79           HG       CYS  79  93.848  -4.510  -4.987
  646    H    THR  80           HN       THR  80  93.274  -5.455  -1.212
  647    HA   THR  80           HA       THR  80  96.022  -6.326  -2.034
  648    HB   THR  80           HB       THR  80  96.366  -5.750   0.199
  649    HG1  THR  80           HG1      THR  80  96.943  -7.804   0.321
  650   HG21  THR  80          HG21      THR  80  94.117  -4.998   0.696
  651   HG22  THR  80          HG22      THR  80  94.602  -6.130   1.957
  652   HG23  THR  80          HG23      THR  80  93.512  -6.654   0.675
  653    H    ASN  81           HN       ASN  81  92.710  -7.020  -2.012
  654    HA   ASN  81           HA       ASN  81  93.197  -9.759  -2.944
  655    HB2  ASN  81           HB2      ASN  81  91.619 -10.528  -0.971
  656    HB3  ASN  81           HB1      ASN  81  93.325 -10.270  -0.679
  657   HD21  ASN  81          HD21      ASN  81  90.521  -7.994  -0.921
  658   HD22  ASN  81          HD22      ASN  81  90.877  -7.196   0.521
  659    HA   PRO  82           HA       PRO  82  88.900  -9.447  -4.299
  660    HB2  PRO  82           HB2      PRO  82  86.844  -9.461  -2.492
  661    HB3  PRO  82           HB1      PRO  82  87.679 -10.932  -3.033
  662    HG2  PRO  82           HG2      PRO  82  88.066  -9.345  -0.544
  663    HG3  PRO  82           HG1      PRO  82  88.031 -11.102  -0.768
  664    HD2  PRO  82           HD2      PRO  82  90.320  -9.733  -0.482
  665    HD3  PRO  82           HD1      PRO  82  90.211 -11.191  -1.488
  666    H    THR  83           HN       THR  83  90.231  -7.126  -2.476
  667    HA   THR  83           HA       THR  83  88.470  -5.109  -1.833
  668    HB   THR  83           HB       THR  83  90.676  -4.288  -3.634
  669    HG1  THR  83           HG1      THR  83  91.284  -5.690  -1.259
  670   HG21  THR  83          HG21      THR  83  90.759  -3.758  -0.729
  671   HG22  THR  83          HG22      THR  83  89.316  -3.165  -1.552
  672   HG23  THR  83          HG23      THR  83  90.914  -2.639  -2.083
  673    H    GLU  84           HN       GLU  84  89.218  -6.365  -5.022
  674    HA   GLU  84           HA       GLU  84  88.270  -4.468  -6.800
  675    HB2  GLU  84           HB2      GLU  84  88.937  -7.111  -6.841
  676    HB3  GLU  84           HB1      GLU  84  87.196  -7.224  -7.105
  677    HG2  GLU  84           HG2      GLU  84  88.300  -5.084  -8.703
  678    HG3  GLU  84           HG1      GLU  84  89.167  -6.587  -9.021
  679    H    ASN  85           HN       ASN  85  86.450  -6.385  -4.481
  680    HA   ASN  85           HA       ASN  85  83.810  -5.725  -5.498
  681    HB2  ASN  85           HB2      ASN  85  85.061  -6.994  -3.096
  682    HB3  ASN  85           HB1      ASN  85  83.388  -6.455  -2.955
  683   HD21  ASN  85          HD21      ASN  85  83.000  -8.915  -2.789
  684   HD22  ASN  85          HD22      ASN  85  82.821  -9.777  -4.240
  685    H    PHE  86           HN       PHE  86  85.615  -4.654  -2.583
  686    HA   PHE  86           HA       PHE  86  83.891  -2.650  -1.671
  687    HB2  PHE  86           HB2      PHE  86  86.327  -3.594  -0.999
  688    HB3  PHE  86           HB1      PHE  86  86.817  -2.069  -1.743
  689    HD1  PHE  86           HD1      PHE  86  85.286   0.005  -1.067
  690    HD2  PHE  86           HD2      PHE  86  85.780  -3.561   1.270
  691    HE1  PHE  86           HE1      PHE  86  84.535   1.229   0.955
  692    HE2  PHE  86           HE2      PHE  86  85.027  -2.334   3.288
  693    HZ   PHE  86           HZ       PHE  86  84.415   0.062   3.134
  694    H    VAL  87           HN       VAL  87  86.617  -2.146  -3.955
  695    HA   VAL  87           HA       VAL  87  85.956   0.578  -4.550
  696    HB   VAL  87           HB       VAL  87  87.307  -1.396  -6.403
  697   HG11  VAL  87          HG11      VAL  87  88.778   0.896  -6.390
  698   HG12  VAL  87          HG12      VAL  87  87.172   1.547  -6.062
  699   HG13  VAL  87          HG13      VAL  87  87.457   0.596  -7.519
  700   HG21  VAL  87          HG21      VAL  87  89.366  -0.431  -4.973
  701   HG22  VAL  87          HG22      VAL  87  88.519  -1.906  -4.507
  702   HG23  VAL  87          HG23      VAL  87  88.127  -0.379  -3.719
  703    H    GLN  88           HN       GLN  88  85.198  -2.443  -6.335
  704    HA   GLN  88           HA       GLN  88  83.676  -1.101  -8.386
  705    HB2  GLN  88           HB2      GLN  88  83.299  -3.286  -9.171
  706    HB3  GLN  88           HB1      GLN  88  84.818  -3.443  -8.292
  707    HG2  GLN  88           HG2      GLN  88  83.797  -5.131  -7.185
  708    HG3  GLN  88           HG1      GLN  88  82.942  -3.861  -6.313
  709   HE21  GLN  88          HE21      GLN  88  82.592  -5.134  -9.675
  710   HE22  GLN  88          HE22      GLN  88  80.931  -5.452  -9.535
  711    H    GLU  89           HN       GLU  89  82.848  -2.305  -5.167
  712    HA   GLU  89           HA       GLU  89  79.993  -2.417  -5.566
  713    HB2  GLU  89           HB2      GLU  89  81.606  -3.239  -3.625
  714    HB3  GLU  89           HB1      GLU  89  81.243  -1.651  -2.948
  715    HG2  GLU  89           HG2      GLU  89  79.668  -3.495  -2.213
  716    HG3  GLU  89           HG1      GLU  89  78.882  -2.099  -2.953
  717    H    LEU  90           HN       LEU  90  81.925   0.089  -3.821
  718    HA   LEU  90           HA       LEU  90  79.944   2.028  -3.591
  719    HB2  LEU  90           HB2      LEU  90  82.901   2.255  -4.234
  720    HB3  LEU  90           HB1      LEU  90  81.921   3.602  -3.657
  721    HG   LEU  90           HG       LEU  90  81.464   1.323  -1.976
  722   HD11  LEU  90          HD11      LEU  90  83.501   0.415  -1.660
  723   HD12  LEU  90          HD12      LEU  90  84.206   2.006  -1.383
  724   HD13  LEU  90          HD13      LEU  90  84.089   1.365  -3.022
  725   HD21  LEU  90          HD21      LEU  90  81.175   3.173  -0.708
  726   HD22  LEU  90          HD22      LEU  90  82.128   4.160  -1.816
  727   HD23  LEU  90          HD23      LEU  90  82.931   3.226  -0.555
  728    H    LEU  91           HN       LEU  91  82.070   1.338  -6.358
  729    HA   LEU  91           HA       LEU  91  81.048   3.429  -8.083
  730    HB2  LEU  91           HB2      LEU  91  83.172   1.708  -8.024
  731    HB3  LEU  91           HB1      LEU  91  82.152   0.926  -9.231
  732    HG   LEU  91           HG       LEU  91  81.973   3.139 -10.412
  733   HD11  LEU  91          HD11      LEU  91  84.023   3.883  -8.308
  734   HD12  LEU  91          HD12      LEU  91  82.466   4.655  -8.603
  735   HD13  LEU  91          HD13      LEU  91  83.766   4.813  -9.784
  736   HD21  LEU  91          HD21      LEU  91  84.398   1.483 -10.093
  737   HD22  LEU  91          HD22      LEU  91  84.687   3.071 -10.804
  738   HD23  LEU  91          HD23      LEU  91  83.548   1.959 -11.563
  739    H    VAL  92           HN       VAL  92  80.443  -0.087  -7.841
  740    HA   VAL  92           HA       VAL  92  78.573  -0.393  -9.923
  741    HB   VAL  92           HB       VAL  92  79.071  -1.687  -7.253
  742   HG11  VAL  92          HG11      VAL  92  77.417  -3.487  -8.325
  743   HG12  VAL  92          HG12      VAL  92  76.700  -2.042  -9.039
  744   HG13  VAL  92          HG13      VAL  92  76.816  -2.195  -7.286
  745   HG21  VAL  92          HG21      VAL  92  79.070  -3.378  -9.601
  746   HG22  VAL  92          HG22      VAL  92  80.401  -3.007  -8.507
  747   HG23  VAL  92          HG23      VAL  92  80.069  -1.953  -9.881
  748    H    LYS  93           HN       LYS  93  78.020   0.672  -6.549
  749    HA   LYS  93           HA       LYS  93  75.170   0.791  -6.689
  750    HB2  LYS  93           HB2      LYS  93  77.011   2.622  -5.129
  751    HB3  LYS  93           HB1      LYS  93  75.411   2.048  -4.660
  752    HG2  LYS  93           HG2      LYS  93  77.054  -0.232  -5.198
  753    HG3  LYS  93           HG1      LYS  93  77.938   0.842  -4.112
  754    HD2  LYS  93           HD2      LYS  93  76.528   0.436  -2.387
  755    HD3  LYS  93           HD1      LYS  93  75.100   0.572  -3.414
  756    HE2  LYS  93           HE2      LYS  93  76.903  -1.862  -3.152
  757    HE3  LYS  93           HE1      LYS  93  75.219  -1.723  -2.608
  758    HZ1  LYS  93           HZ1      LYS  93  75.022  -0.886  -5.134
  759    HZ2  LYS  93           HZ2      LYS  93  74.770  -2.498  -4.661
  760    HZ3  LYS  93           HZ3      LYS  93  76.271  -2.021  -5.298
  761    H    LEU  94           HN       LEU  94  77.687   3.284  -7.275
  762    HA   LEU  94           HA       LEU  94  75.837   5.363  -8.004
  763    HB2  LEU  94           HB2      LEU  94  78.759   4.764  -8.362
  764    HB3  LEU  94           HB1      LEU  94  78.055   6.159  -9.183
  765    HG   LEU  94           HG       LEU  94  77.198   5.961  -6.398
  766   HD11  LEU  94          HD11      LEU  94  79.950   6.924  -6.417
  767   HD12  LEU  94          HD12      LEU  94  79.846   5.209  -6.810
  768   HD13  LEU  94          HD13      LEU  94  79.163   5.812  -5.301
  769   HD21  LEU  94          HD21      LEU  94  78.269   7.981  -8.324
  770   HD22  LEU  94          HD22      LEU  94  78.369   8.344  -6.601
  771   HD23  LEU  94          HD23      LEU  94  76.804   8.037  -7.346
  772    H    ARG  95           HN       ARG  95  76.758   2.500  -9.607
  773    HA   ARG  95           HA       ARG  95  76.521   3.458 -12.350
  774    HB2  ARG  95           HB2      ARG  95  77.402   1.184 -10.976
  775    HB3  ARG  95           HB1      ARG  95  75.991   0.627 -11.877
  776    HG2  ARG  95           HG2      ARG  95  78.111   0.434 -13.187
  777    HG3  ARG  95           HG1      ARG  95  76.925   1.488 -13.957
  778    HD2  ARG  95           HD2      ARG  95  78.167   3.399 -13.565
  779    HD3  ARG  95           HD1      ARG  95  78.874   2.754 -12.069
  780    HE   ARG  95           HE       ARG  95  80.384   1.391 -13.431
  781   HH11  ARG  95          HH11      ARG  95  78.136   1.940 -15.705
  782   HH12  ARG  95          HH12      ARG  95  79.179   2.641 -16.897
  783   HH21  ARG  95          HH21      ARG  95  81.852   3.017 -14.721
  784   HH22  ARG  95          HH22      ARG  95  81.283   3.251 -16.340
  785    H    GLY  96           HN       GLY  96  74.243   3.364  -9.988
  786    HA2  GLY  96           HA2      GLY  96  72.077   2.158 -11.593
  787    HA3  GLY  96           HA1      GLY  96  71.922   2.791  -9.952
  788    H    LEU  97           HN       LEU  97  73.107   5.337 -10.378
  789    HA   LEU  97           HA       LEU  97  70.939   6.614 -11.972
  790    HB2  LEU  97           HB2      LEU  97  72.887   7.765  -9.948
  791    HB3  LEU  97           HB1      LEU  97  71.462   8.574 -10.599
  792    HG   LEU  97           HG       LEU  97  70.411   6.201  -9.663
  793   HD11  LEU  97          HD11      LEU  97  72.647   5.731  -8.611
  794   HD12  LEU  97          HD12      LEU  97  71.323   5.829  -7.449
  795   HD13  LEU  97          HD13      LEU  97  72.436   7.184  -7.636
  796   HD21  LEU  97          HD21      LEU  97  70.730   8.849  -8.213
  797   HD22  LEU  97          HD22      LEU  97  69.556   7.603  -7.789
  798   HD23  LEU  97          HD23      LEU  97  69.441   8.432  -9.342
  799    H    HIS  98           HN       HIS  98  74.438   7.097 -11.332
  800    HA   HIS  98           HA       HIS  98  74.921   8.859 -13.520
  801    HB2  HIS  98           HB2      HIS  98  76.811   6.860 -12.259
  802    HB3  HIS  98           HB1      HIS  98  77.233   8.408 -12.989
  803    HD1  HIS  98           HD1      HIS  98  76.653  10.567 -11.652
  804    HD2  HIS  98           HD2      HIS  98  75.726   7.038  -9.626
  805    HE1  HIS  98           HE1      HIS  98  76.176  11.220  -9.253
  806    H    LYS  99           HN       LYS  99  74.204   5.516 -13.504
  807    HA   LYS  99           HA       LYS  99  74.114   3.950 -15.275
  808    HB2  LYS  99           HB2      LYS  99  73.743   6.503 -16.320
  809    HB3  LYS  99           HB1      LYS  99  75.018   5.826 -17.334
  810    HG2  LYS  99           HG2      LYS  99  73.596   3.777 -17.643
  811    HG3  LYS  99           HG1      LYS  99  72.299   4.607 -16.782
  812    HD2  LYS  99           HD2      LYS  99  73.609   5.983 -19.102
  813    HD3  LYS  99           HD1      LYS  99  72.423   4.718 -19.420
  814    HE2  LYS  99           HE2      LYS  99  70.684   5.909 -18.334
  815    HE3  LYS  99           HE1      LYS  99  71.827   6.980 -17.500
  816    HZ1  LYS  99           HZ1      LYS  99  70.842   8.049 -19.461
  817    HZ2  LYS  99           HZ2      LYS  99  71.479   6.821 -20.448
  818    HZ3  LYS  99           HZ3      LYS  99  72.522   7.874 -19.616