*HEADER    HORMONE                                 05-MAR-15   2N0G              
*TITLE     NMR STRUCTURE OF NEUROMEDIN C IN 90% TFE                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GASTRIN-RELEASING PEPTIDE;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 41-50;                                        
*COMPND   5 SYNONYM: GRP, NEUROMEDIN-C, GRP-10;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    NEUROPEPTIDE, FEEDING REGULATION, HORMONE                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.ADROVER, P.SANCHIS, B.VILANOVA, K.PAUWELS, G.MARTORELL, J.PEREZ     
*REVDAT   1   21-OCT-15 2N0G    0                                                


  3 HIS  H       3 HIS  QB      3.83  
  7 GLY  H       7 GLY  QA      2.77  
  5 ALA  H       5 ALA  QB      3.24  
  6 VAL  H       6 VAL  HB      3.28  
  6 VAL  H       6 VAL  QG2     3.34  
  6 VAL  H       6 VAL  QG1     4.23  
  6 VAL  H       9 LEU  QD1     4.62  
  3 HIS  HA      6 VAL  H       3.96  
  8 HIS  H       8 HIS  HB2     3.64  
  8 HIS  H       8 HIS  HB3     3.64  
 10 MET  H      10 MET  HG2     4.61  
 10 MET  H      10 MET  HG3     4.61  
  4 TRP  H       4 TRP  QB      2.95  
  4 TRP  QB      5 ALA  H       3.38  
  9 LEU  H       9 LEU  HB2     3.78  
  9 LEU  H       9 LEU  HG      3.61  
  9 LEU  H       9 LEU  HB3     3.78  
  9 LEU  H       9 LEU  QD1     4.55  
  9 LEU  H       9 LEU  QD2     4.72  
  4 TRP  QB      4 TRP  HE1     4.49  
  3 HIS  H       4 TRP  H       4.85  
  9 LEU  H      10 MET  H       3.63  
  4 TRP  HE3     5 ALA  H       4.01  
  6 VAL  H       7 GLY  H       3.69  
  7 GLY  H       8 HIS  H       4.00  
  5 ALA  H       6 VAL  H       3.77  
  8 HIS  H       9 LEU  H       3.93  
  8 HIS  H      10 MET  H       4.53  
  4 TRP  H       4 TRP  HD1     5.47  
  8 HIS  H       8 HIS  HD2     5.50  
  4 TRP  HA      4 TRP  HE3     3.86  
  4 TRP  HE3     5 ALA  HA      3.80  
  4 TRP  QB      4 TRP  HE3     3.07  
  4 TRP  HE3     5 ALA  QB      4.27  
  5 ALA  QB      6 VAL  H       3.65  
  4 TRP  QB      6 VAL  H       4.92  
  2 ASN  QB      3 HIS  H       4.62  
  2 ASN  QB      2 ASN  HD21    4.02  
  6 VAL  HB      7 GLY  H       3.73  
  6 VAL  QG2     7 GLY  H       4.37  
  6 VAL  QG1     7 GLY  H       4.22  
  4 TRP  HA      7 GLY  H       4.31  
  3 HIS  QB      4 TRP  H       3.59  
  2 ASN  QB      4 TRP  H       5.46  
  2 ASN  QB      5 ALA  H       5.50  
  8 HIS  HB3     9 LEU  H       4.01  
  8 HIS  HB2     9 LEU  H       4.01  
  6 VAL  HA      9 LEU  H       3.89  
  6 VAL  HA     10 MET  H       4.72  
  7 GLY  QA     10 MET  H       5.27  
  9 LEU  HB2    10 MET  H       4.41  
  9 LEU  HB3    10 MET  H       4.41  
  9 LEU  QD1    10 MET  H       5.24  
  9 LEU  QD2    10 MET  H       5.50  
  4 TRP  HA      4 TRP  HD1     3.62  
  4 TRP  QB      4 TRP  HD1     2.93  
  8 HIS  HB3     8 HIS  HD2     3.89  
  8 HIS  HB2     8 HIS  HD2     3.89  
  3 HIS  QB      3 HIS  HD2     3.17  
  3 HIS  HD2     6 VAL  QG1     5.18  
  2 ASN  QB      2 ASN  HD22    4.02  
  2 ASN  HA      2 ASN  QB      2.91  
  2 ASN  HA      4 TRP  H       4.71  
  2 ASN  HA      5 ALA  H       5.12  
  4 TRP  HA      7 GLY  QA      4.52  
  7 GLY  QA      8 HIS  HA      4.82  
  4 TRP  HA      4 TRP  QB      2.76  
  2 ASN  HA      3 HIS  QB      4.82  
  3 HIS  HA      3 HIS  QB      2.84  
  3 HIS  QB      6 VAL  HB      4.81  
  2 ASN  QB      3 HIS  QB      5.34  
  2 ASN  QB      3 HIS  HA      5.04  
  3 HIS  HA      6 VAL  HB      3.85  
  6 VAL  HA      9 LEU  HB3     4.47  
  6 VAL  HA      9 LEU  HG      4.55  
  6 VAL  HA      9 LEU  HB2     4.47  
  9 LEU  HA      9 LEU  HG      3.90  
  9 LEU  HB2    10 MET  HA      5.04  
  8 HIS  HA      9 LEU  HG      5.50  
  9 LEU  HB3    10 MET  HA      5.04  
  2 ASN  QB      5 ALA  QB      4.01  
  4 TRP  QB      5 ALA  QB      4.28  
  5 ALA  QB      6 VAL  HA      4.24  
  3 HIS  HA      5 ALA  QB      5.50  
  4 TRP  HA      5 ALA  QB      5.50  
  2 ASN  HA      5 ALA  QB      4.25  
  5 ALA  QB      6 VAL  QG2     3.98  
  6 VAL  QG1    10 MET  HG3     4.68  
  6 VAL  QG1    10 MET  HG2     4.68  
  2 ASN  QB      6 VAL  QG2     4.67  
  3 HIS  QB      6 VAL  QG2     4.30  
  6 VAL  HA      6 VAL  QG2     3.06  
  6 VAL  HA      6 VAL  QG1     3.38  
  6 VAL  HA      9 LEU  QD1     3.63  
  3 HIS  HA      6 VAL  QG2     3.81  
  3 HIS  HA      6 VAL  QG1     4.80  
  6 VAL  QG1    10 MET  HA      5.32  
  5 ALA  QB      9 LEU  QD1     4.31  
  9 LEU  HB3     9 LEU  QD1     3.99  
  9 LEU  HB2     9 LEU  QD1     3.99  
  9 LEU  HA      9 LEU  QD2     3.23  
  2 ASN  HA      2 ASN  QD2     4.49  
  2 ASN  QB      2 ASN  QD2     3.29  
  2 ASN  QD2     5 ALA  H       4.54  
  2 ASN  QD2     5 ALA  QB      4.25  
  2 ASN  QD2     6 VAL  H       4.96  
  6 VAL  HA      9 LEU  QB      3.86  
  8 HIS  H       8 HIS  QB      3.15  
  8 HIS  QB      8 HIS  HD2     3.38  
  9 LEU  H       9 LEU  QB      3.16  
  9 LEU  QB      9 LEU  QD1     3.36  
  9 LEU  QB     10 MET  H       3.88  
 10 MET  H      10 MET  QB      3.51  
 10 MET  H      10 MET  QG      4.05  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   1.861  11.556   0.496
    2    H2   GLY   1           HT2      GLY   1   3.219  10.844   1.230
    3    H3   GLY   1           HT3      GLY   1   1.667  10.208   1.505
    4    HA2  GLY   1           HA1      GLY   1   2.065  10.285  -1.227
    5    HA3  GLY   1           HA2      GLY   1   3.505   9.568  -0.478
    6    H    ASN   2           HN       ASN   2   1.718   8.183  -2.181
    7    HA   ASN   2           HA       ASN   2  -0.115   6.607  -0.546
    8    HB2  ASN   2           HB2      ASN   2  -0.235   7.125  -3.078
    9    HB3  ASN   2           HB1      ASN   2   0.936   5.804  -3.266
   10   HD21  ASN   2          HD21      ASN   2  -2.040   6.394  -1.289
   11   HD22  ASN   2          HD22      ASN   2  -2.803   4.859  -1.719
   12    H    HIS   3           HN       HIS   3   1.164   5.785   1.143
   13    HA   HIS   3           HA       HIS   3   3.126   3.663   0.288
   14    HB2  HIS   3           HB2      HIS   3   4.025   5.617   1.609
   15    HB3  HIS   3           HB1      HIS   3   3.007   5.074   2.956
   16    HD1  HIS   3           HD1      HIS   3   3.749   3.012   4.305
   17    HD2  HIS   3           HD2      HIS   3   6.111   3.760   0.903
   18    HE1  HIS   3           HE1      HIS   3   5.843   1.590   4.519
   19    H    TRP   4           HN       TRP   4   0.332   4.493   2.276
   20    HA   TRP   4           HA       TRP   4   0.241   2.099   3.823
   21    HB2  TRP   4           HB2      TRP   4  -1.124   4.336   3.955
   22    HB3  TRP   4           HB1      TRP   4  -2.269   3.496   2.897
   23    HD1  TRP   4           HD1      TRP   4  -1.360   3.908   6.491
   24    HE1  TRP   4           HE1      TRP   4  -2.668   2.235   7.988
   25    HE3  TRP   4           HE3      TRP   4  -3.180   0.854   2.818
   26    HZ2  TRP   4           HZ2      TRP   4  -4.238  -0.055   7.601
   27    HZ3  TRP   4           HZ3      TRP   4  -4.567  -1.065   3.456
   28    HH2  TRP   4           HH2      TRP   4  -5.098  -1.512   5.823
   29    H    ALA   5           HN       ALA   5  -1.186   2.932   0.658
   30    HA   ALA   5           HA       ALA   5  -2.641   0.520   0.297
   31    HB1  ALA   5           HB1      ALA   5  -2.730   1.105  -2.039
   32    HB2  ALA   5           HB2      ALA   5  -1.305   2.161  -1.874
   33    HB3  ALA   5           HB3      ALA   5  -2.839   2.604  -1.087
   34    H    VAL   6           HN       VAL   6   0.753   1.329  -0.325
   35    HA   VAL   6           HA       VAL   6   1.475  -0.943  -1.855
   36    HB   VAL   6           HB       VAL   6   3.147   0.495   0.216
   37   HG11  VAL   6          HG11      VAL   6   3.837  -1.373  -2.057
   38   HG12  VAL   6          HG12      VAL   6   4.234  -1.552  -0.331
   39   HG13  VAL   6          HG13      VAL   6   5.030  -0.291  -1.301
   40   HG21  VAL   6          HG21      VAL   6   3.984   1.804  -1.717
   41   HG22  VAL   6          HG22      VAL   6   2.243   2.052  -1.437
   42   HG23  VAL   6          HG23      VAL   6   2.790   0.988  -2.756
   43    H    GLY   7           HN       GLY   7   0.923  -0.576   1.608
   44    HA2  GLY   7           HA1      GLY   7   2.207  -2.985   2.442
   45    HA3  GLY   7           HA2      GLY   7   0.895  -2.151   3.298
   46    H    HIS   8           HN       HIS   8  -1.018  -2.352   1.117
   47    HA   HIS   8           HA       HIS   8  -1.952  -5.057   1.716
   48    HB2  HIS   8           HB2      HIS   8  -3.313  -2.850   1.452
   49    HB3  HIS   8           HB1      HIS   8  -3.249  -3.208  -0.281
   50    HD1  HIS   8           HD1      HIS   8  -5.996  -3.248   0.349
   51    HD2  HIS   8           HD2      HIS   8  -3.585  -6.571   1.198
   52    HE1  HIS   8           HE1      HIS   8  -7.543  -5.216   0.779
   53    H    LEU   9           HN       LEU   9  -0.356  -3.394  -0.913
   54    HA   LEU   9           HA       LEU   9  -0.974  -5.439  -2.913
   55    HB2  LEU   9           HB2      LEU   9   1.057  -3.211  -2.847
   56    HB3  LEU   9           HB1      LEU   9   0.753  -4.242  -4.253
   57    HG   LEU   9           HG       LEU   9  -1.524  -2.715  -3.030
   58   HD11  LEU   9          HD11      LEU   9  -0.778  -0.991  -4.971
   59   HD12  LEU   9          HD12      LEU   9   0.831  -1.551  -4.469
   60   HD13  LEU   9          HD13      LEU   9  -0.271  -0.812  -3.284
   61   HD21  LEU   9          HD21      LEU   9  -2.350  -2.728  -5.330
   62   HD22  LEU   9          HD22      LEU   9  -1.911  -4.379  -4.829
   63   HD23  LEU   9          HD23      LEU   9  -0.824  -3.451  -5.889
   64    H    MET  10           HN       MET  10   2.058  -4.396  -1.282
   65    HA   MET  10           HA       MET  10   2.963  -7.256  -1.384
   66    HB2  MET  10           HB2      MET  10   5.234  -6.466  -1.961
   67    HB3  MET  10           HB1      MET  10   4.050  -6.167  -3.247
   68    HG2  MET  10           HG2      MET  10   5.116  -4.128  -3.232
   69    HG3  MET  10           HG1      MET  10   3.886  -3.807  -1.995
   70    HE1  MET  10           HE1      MET  10   7.243  -2.888  -2.766
   71    HE2  MET  10           HE2      MET  10   7.608  -4.629  -2.778
   72    HE3  MET  10           HE3      MET  10   8.357  -3.572  -1.558
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   2.395  10.717   2.159
    2    H2   GLY   1           HT2      GLY   1   2.911   9.149   1.757
    3    H3   GLY   1           HT3      GLY   1   1.462   9.377   2.613
    4    HA2  GLY   1           HA1      GLY   1   0.785  10.775   0.605
    5    HA3  GLY   1           HA2      GLY   1   2.070   9.854  -0.198
    6    H    ASN   2           HN       ASN   2   1.704   7.812  -0.863
    7    HA   ASN   2           HA       ASN   2  -0.898   6.558  -0.008
    8    HB2  ASN   2           HB2      ASN   2  -1.155   5.707  -2.292
    9    HB3  ASN   2           HB1      ASN   2  -1.114   7.481  -2.269
   10   HD21  ASN   2          HD21      ASN   2   0.754   4.533  -3.002
   11   HD22  ASN   2          HD22      ASN   2   1.899   5.328  -4.088
   12    H    HIS   3           HN       HIS   3   1.917   6.240   0.943
   13    HA   HIS   3           HA       HIS   3   2.923   3.739  -0.091
   14    HB2  HIS   3           HB2      HIS   3   4.360   5.306   1.091
   15    HB3  HIS   3           HB1      HIS   3   3.377   5.137   2.556
   16    HD1  HIS   3           HD1      HIS   3   4.307   3.574   4.249
   17    HD2  HIS   3           HD2      HIS   3   5.318   2.477   0.313
   18    HE1  HIS   3           HE1      HIS   3   5.873   1.581   4.408
   19    H    TRP   4           HN       TRP   4   0.550   4.616   2.343
   20    HA   TRP   4           HA       TRP   4   0.471   2.211   3.826
   21    HB2  TRP   4           HB2      TRP   4  -0.827   4.507   4.028
   22    HB3  TRP   4           HB1      TRP   4  -2.091   3.641   3.140
   23    HD1  TRP   4           HD1      TRP   4  -0.648   4.082   6.586
   24    HE1  TRP   4           HE1      TRP   4  -1.833   2.514   8.284
   25    HE3  TRP   4           HE3      TRP   4  -3.176   1.137   3.267
   26    HZ2  TRP   4           HZ2      TRP   4  -3.595   0.340   8.172
   27    HZ3  TRP   4           HZ3      TRP   4  -4.598  -0.672   4.135
   28    HH2  TRP   4           HH2      TRP   4  -4.804  -1.066   6.565
   29    H    ALA   5           HN       ALA   5  -0.998   3.054   0.706
   30    HA   ALA   5           HA       ALA   5  -2.654   0.738   0.474
   31    HB1  ALA   5           HB1      ALA   5  -2.601   1.237  -1.967
   32    HB2  ALA   5           HB2      ALA   5  -1.343   2.456  -1.652
   33    HB3  ALA   5           HB3      ALA   5  -2.973   2.659  -0.964
   34    H    VAL   6           HN       VAL   6   0.768   1.294  -0.166
   35    HA   VAL   6           HA       VAL   6   1.279  -1.037  -1.725
   36    HB   VAL   6           HB       VAL   6   3.126   0.328   0.244
   37   HG11  VAL   6          HG11      VAL   6   4.890  -0.591  -1.325
   38   HG12  VAL   6          HG12      VAL   6   3.603  -1.601  -2.027
   39   HG13  VAL   6          HG13      VAL   6   4.050  -1.792  -0.315
   40   HG21  VAL   6          HG21      VAL   6   2.213   1.896  -1.424
   41   HG22  VAL   6          HG22      VAL   6   2.722   0.795  -2.726
   42   HG23  VAL   6          HG23      VAL   6   3.944   1.590  -1.705
   43    H    GLY   7           HN       GLY   7   0.685  -0.605   1.686
   44    HA2  GLY   7           HA1      GLY   7   1.957  -2.913   2.708
   45    HA3  GLY   7           HA2      GLY   7   0.494  -2.169   3.378
   46    H    HIS   8           HN       HIS   8  -0.992  -2.593   0.823
   47    HA   HIS   8           HA       HIS   8  -1.804  -5.381   1.423
   48    HB2  HIS   8           HB2      HIS   8  -2.966  -3.080  -0.126
   49    HB3  HIS   8           HB1      HIS   8  -3.559  -4.724  -0.428
   50    HD1  HIS   8           HD1      HIS   8  -3.626  -5.882   2.422
   51    HD2  HIS   8           HD2      HIS   8  -4.781  -1.940   1.511
   52    HE1  HIS   8           HE1      HIS   8  -5.281  -5.158   4.208
   53    H    LEU   9           HN       LEU   9  -0.764  -3.437  -1.408
   54    HA   LEU   9           HA       LEU   9  -0.786  -5.519  -3.312
   55    HB2  LEU   9           HB2      LEU   9   1.147  -3.206  -3.089
   56    HB3  LEU   9           HB1      LEU   9   0.880  -4.182  -4.538
   57    HG   LEU   9           HG       LEU   9  -1.360  -2.632  -3.243
   58   HD11  LEU   9          HD11      LEU   9   0.800  -1.658  -5.111
   59   HD12  LEU   9          HD12      LEU   9   0.142  -0.878  -3.660
   60   HD13  LEU   9          HD13      LEU   9  -0.822  -0.932  -5.139
   61   HD21  LEU   9          HD21      LEU   9  -2.018  -4.324  -4.878
   62   HD22  LEU   9          HD22      LEU   9  -0.851  -3.669  -6.049
   63   HD23  LEU   9          HD23      LEU   9  -2.266  -2.706  -5.564
   64    H    MET  10           HN       MET  10   1.727  -4.583  -0.975
   65    HA   MET  10           HA       MET  10   3.605  -6.581  -1.978
   66    HB2  MET  10           HB2      MET  10   4.110  -4.361  -0.758
   67    HB3  MET  10           HB1      MET  10   3.723  -5.241   0.731
   68    HG2  MET  10           HG2      MET  10   5.726  -6.405  -1.186
   69    HG3  MET  10           HG1      MET  10   6.205  -5.084  -0.110
   70    HE1  MET  10           HE1      MET  10   6.774  -5.362   2.379
   71    HE2  MET  10           HE2      MET  10   7.404  -6.970   2.808
   72    HE3  MET  10           HE3      MET  10   7.929  -6.181   1.301
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   2.016   9.843   1.460
    2    H2   GLY   1           HT2      GLY   1   3.504  10.059   0.670
    3    H3   GLY   1           HT3      GLY   1   3.030   8.513   1.192
    4    HA2  GLY   1           HA1      GLY   1   1.561  10.100  -0.800
    5    HA3  GLY   1           HA2      GLY   1   2.810   8.908  -1.211
    6    H    ASN   2           HN       ASN   2   2.248   6.842  -1.463
    7    HA   ASN   2           HA       ASN   2  -0.476   6.030  -0.455
    8    HB2  ASN   2           HB2      ASN   2   0.904   5.584  -3.084
    9    HB3  ASN   2           HB1      ASN   2  -0.261   4.379  -2.501
   10   HD21  ASN   2          HD21      ASN   2  -2.435   4.773  -2.630
   11   HD22  ASN   2          HD22      ASN   2  -3.105   6.269  -3.289
   12    H    HIS   3           HN       HIS   3   2.180   5.813   0.848
   13    HA   HIS   3           HA       HIS   3   3.242   3.194   0.638
   14    HB2  HIS   3           HB2      HIS   3   4.380   4.934   1.875
   15    HB3  HIS   3           HB1      HIS   3   3.035   5.048   3.023
   16    HD1  HIS   3           HD1      HIS   3   2.834   3.244   4.874
   17    HD2  HIS   3           HD2      HIS   3   6.191   2.891   2.359
   18    HE1  HIS   3           HE1      HIS   3   4.363   1.500   5.910
   19    H    TRP   4           HN       TRP   4   0.296   4.363   2.107
   20    HA   TRP   4           HA       TRP   4  -0.144   2.123   3.862
   21    HB2  TRP   4           HB2      TRP   4  -1.295   4.493   3.674
   22    HB3  TRP   4           HB1      TRP   4  -2.430   3.642   2.614
   23    HD1  TRP   4           HD1      TRP   4  -1.740   4.346   6.213
   24    HE1  TRP   4           HE1      TRP   4  -3.287   2.941   7.756
   25    HE3  TRP   4           HE3      TRP   4  -3.557   1.089   2.719
   26    HZ2  TRP   4           HZ2      TRP   4  -5.015   0.754   7.471
   27    HZ3  TRP   4           HZ3      TRP   4  -5.144  -0.641   3.425
   28    HH2  TRP   4           HH2      TRP   4  -5.872  -0.803   5.779
   29    H    ALA   5           HN       ALA   5  -1.123   2.850   0.509
   30    HA   ALA   5           HA       ALA   5  -2.684   0.429   0.225
   31    HB1  ALA   5           HB1      ALA   5  -1.479   2.305  -1.829
   32    HB2  ALA   5           HB2      ALA   5  -3.141   2.340  -1.188
   33    HB3  ALA   5           HB3      ALA   5  -2.607   0.981  -2.206
   34    H    VAL   6           HN       VAL   6   0.653   1.367  -0.587
   35    HA   VAL   6           HA       VAL   6   1.368  -0.951  -2.052
   36    HB   VAL   6           HB       VAL   6   3.107   0.693  -0.188
   37   HG11  VAL   6          HG11      VAL   6   3.751  -1.302  -2.365
   38   HG12  VAL   6          HG12      VAL   6   4.265  -1.331  -0.662
   39   HG13  VAL   6          HG13      VAL   6   4.930  -0.109  -1.770
   40   HG21  VAL   6          HG21      VAL   6   3.614   2.091  -2.031
   41   HG22  VAL   6          HG22      VAL   6   1.847   1.896  -2.075
   42   HG23  VAL   6          HG23      VAL   6   2.870   0.961  -3.188
   43    H    GLY   7           HN       GLY   7   0.937  -0.449   1.396
   44    HA2  GLY   7           HA1      GLY   7   2.405  -2.813   2.203
   45    HA3  GLY   7           HA2      GLY   7   1.256  -1.886   3.188
   46    H    HIS   8           HN       HIS   8  -0.819  -2.222   1.001
   47    HA   HIS   8           HA       HIS   8  -1.803  -4.836   1.996
   48    HB2  HIS   8           HB2      HIS   8  -3.128  -2.597   1.771
   49    HB3  HIS   8           HB1      HIS   8  -3.280  -3.048   0.064
   50    HD1  HIS   8           HD1      HIS   8  -3.569  -5.162   3.283
   51    HD2  HIS   8           HD2      HIS   8  -5.672  -4.264  -0.252
   52    HE1  HIS   8           HE1      HIS   8  -5.755  -6.453   3.365
   53    H    LEU   9           HN       LEU   9  -1.007  -3.224  -1.090
   54    HA   LEU   9           HA       LEU   9  -1.709  -5.487  -2.734
   55    HB2  LEU   9           HB2      LEU   9   0.091  -3.112  -3.184
   56    HB3  LEU   9           HB1      LEU   9  -0.260  -4.307  -4.441
   57    HG   LEU   9           HG       LEU   9  -2.512  -2.877  -3.056
   58   HD11  LEU   9          HD11      LEU   9  -1.111  -1.043  -3.715
   59   HD12  LEU   9          HD12      LEU   9  -2.408  -1.185  -4.927
   60   HD13  LEU   9          HD13      LEU   9  -0.777  -1.799  -5.291
   61   HD21  LEU   9          HD21      LEU   9  -2.117  -3.993  -5.851
   62   HD22  LEU   9          HD22      LEU   9  -3.605  -3.230  -5.246
   63   HD23  LEU   9          HD23      LEU   9  -3.042  -4.763  -4.541
   64    H    MET  10           HN       MET  10   1.375  -4.302  -1.367
   65    HA   MET  10           HA       MET  10   2.666  -6.866  -2.258
   66    HB2  MET  10           HB2      MET  10   3.635  -4.089  -1.735
   67    HB3  MET  10           HB1      MET  10   4.753  -5.426  -1.397
   68    HG2  MET  10           HG2      MET  10   4.696  -6.156  -3.654
   69    HG3  MET  10           HG1      MET  10   3.312  -5.113  -4.034
   70    HE1  MET  10           HE1      MET  10   6.845  -5.497  -4.902
   71    HE2  MET  10           HE2      MET  10   7.068  -5.350  -3.142
   72    HE3  MET  10           HE3      MET  10   7.732  -4.108  -4.229
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   2.632  10.495  -3.082
    2    H2   GLY   1           HT2      GLY   1   3.121   8.936  -2.614
    3    H3   GLY   1           HT3      GLY   1   3.936  10.302  -2.018
    4    HA2  GLY   1           HA1      GLY   1   2.675  10.079  -0.258
    5    HA3  GLY   1           HA2      GLY   1   1.448  10.841  -1.287
    6    H    ASN   2           HN       ASN   2   2.627   7.663  -2.111
    7    HA   ASN   2           HA       ASN   2   0.119   6.459  -0.954
    8    HB2  ASN   2           HB2      ASN   2   1.227   6.362  -3.738
    9    HB3  ASN   2           HB1      ASN   2   0.401   4.921  -3.111
   10   HD21  ASN   2          HD21      ASN   2  -1.833   5.134  -2.370
   11   HD22  ASN   2          HD22      ASN   2  -2.845   6.397  -3.078
   12    H    HIS   3           HN       HIS   3   1.347   5.755   0.835
   13    HA   HIS   3           HA       HIS   3   3.224   3.495   0.156
   14    HB2  HIS   3           HB2      HIS   3   4.146   5.593   1.337
   15    HB3  HIS   3           HB1      HIS   3   3.243   5.029   2.754
   16    HD1  HIS   3           HD1      HIS   3   4.030   2.806   3.908
   17    HD2  HIS   3           HD2      HIS   3   6.516   4.290   0.852
   18    HE1  HIS   3           HE1      HIS   3   6.207   1.502   4.016
   19    H    TRP   4           HN       TRP   4   0.535   4.660   2.131
   20    HA   TRP   4           HA       TRP   4   0.334   2.411   3.869
   21    HB2  TRP   4           HB2      TRP   4  -0.891   4.709   3.881
   22    HB3  TRP   4           HB1      TRP   4  -2.086   3.906   2.848
   23    HD1  TRP   4           HD1      TRP   4  -1.158   4.399   6.435
   24    HE1  TRP   4           HE1      TRP   4  -2.614   2.907   7.985
   25    HE3  TRP   4           HE3      TRP   4  -3.226   1.370   2.875
   26    HZ2  TRP   4           HZ2      TRP   4  -4.373   0.749   7.681
   27    HZ3  TRP   4           HZ3      TRP   4  -4.777  -0.395   3.576
   28    HH2  TRP   4           HH2      TRP   4  -5.350  -0.698   5.958
   29    H    ALA   5           HN       ALA   5  -1.209   3.079   0.706
   30    HA   ALA   5           HA       ALA   5  -2.730   0.674   0.595
   31    HB1  ALA   5           HB1      ALA   5  -3.111   2.592  -0.890
   32    HB2  ALA   5           HB2      ALA   5  -2.857   1.095  -1.820
   33    HB3  ALA   5           HB3      ALA   5  -1.546   2.290  -1.681
   34    H    VAL   6           HN       VAL   6   0.640   1.372  -0.183
   35    HA   VAL   6           HA       VAL   6   1.254  -0.920  -1.691
   36    HB   VAL   6           HB       VAL   6   3.031   0.457   0.319
   37   HG11  VAL   6          HG11      VAL   6   3.602  -1.425  -1.964
   38   HG12  VAL   6          HG12      VAL   6   4.033  -1.618  -0.247
   39   HG13  VAL   6          HG13      VAL   6   4.845  -0.381  -1.236
   40   HG21  VAL   6          HG21      VAL   6   2.771   0.944  -2.658
   41   HG22  VAL   6          HG22      VAL   6   3.795   1.842  -1.513
   42   HG23  VAL   6          HG23      VAL   6   2.023   1.968  -1.409
   43    H    GLY   7           HN       GLY   7   0.584  -0.576   1.705
   44    HA2  GLY   7           HA1      GLY   7   1.913  -2.809   2.767
   45    HA3  GLY   7           HA2      GLY   7   0.357  -2.189   3.349
   46    H    HIS   8           HN       HIS   8  -1.121  -2.669   0.925
   47    HA   HIS   8           HA       HIS   8  -1.592  -5.560   1.330
   48    HB2  HIS   8           HB2      HIS   8  -3.038  -3.526  -0.389
   49    HB3  HIS   8           HB1      HIS   8  -3.568  -5.188  -0.079
   50    HD1  HIS   8           HD1      HIS   8  -2.769  -5.072   3.066
   51    HD2  HIS   8           HD2      HIS   8  -5.349  -2.542   0.907
   52    HE1  HIS   8           HE1      HIS   8  -4.291  -3.938   4.756
   53    H    LEU   9           HN       LEU   9  -0.252  -3.371  -1.073
   54    HA   LEU   9           HA       LEU   9  -0.346  -5.201  -3.291
   55    HB2  LEU   9           HB2      LEU   9   1.466  -2.878  -2.686
   56    HB3  LEU   9           HB1      LEU   9   1.454  -3.726  -4.227
   57    HG   LEU   9           HG       LEU   9  -1.053  -2.461  -3.145
   58   HD11  LEU   9          HD11      LEU   9   0.012  -0.752  -5.137
   59   HD12  LEU   9          HD12      LEU   9   1.363  -1.066  -4.039
   60   HD13  LEU   9          HD13      LEU   9  -0.163  -0.403  -3.411
   61   HD21  LEU   9          HD21      LEU   9  -0.068  -3.181  -5.925
   62   HD22  LEU   9          HD22      LEU   9  -1.609  -2.364  -5.572
   63   HD23  LEU   9          HD23      LEU   9  -1.332  -4.018  -4.997
   64    H    MET  10           HN       MET  10   1.876  -4.730  -0.606
   65    HA   MET  10           HA       MET  10   4.013  -6.314  -1.754
   66    HB2  MET  10           HB2      MET  10   4.089  -4.572   0.160
   67    HB3  MET  10           HB1      MET  10   3.563  -5.903   1.204
   68    HG2  MET  10           HG2      MET  10   5.963  -6.247  -0.585
   69    HG3  MET  10           HG1      MET  10   6.109  -5.389   0.956
   70    HE1  MET  10           HE1      MET  10   6.733  -6.476   3.024
   71    HE2  MET  10           HE2      MET  10   4.974  -6.587   3.277
   72    HE3  MET  10           HE3      MET  10   6.014  -7.987   3.633
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   1.291   7.346  -4.878
    2    H2   GLY   1           HT2      GLY   1   2.506   7.048  -6.029
    3    H3   GLY   1           HT3      GLY   1   2.610   8.403  -5.009
    4    HA2  GLY   1           HA1      GLY   1   3.193   5.619  -4.501
    5    HA3  GLY   1           HA2      GLY   1   4.011   7.083  -3.924
    6    H    ASN   2           HN       ASN   2   1.208   4.958  -3.500
    7    HA   ASN   2           HA       ASN   2   0.551   6.287  -0.918
    8    HB2  ASN   2           HB2      ASN   2  -0.795   3.895  -2.128
    9    HB3  ASN   2           HB1      ASN   2  -1.465   5.035  -0.949
   10   HD21  ASN   2          HD21      ASN   2  -2.223   4.045  -3.792
   11   HD22  ASN   2          HD22      ASN   2  -2.502   5.551  -4.674
   12    H    HIS   3           HN       HIS   3   2.241   5.748   0.431
   13    HA   HIS   3           HA       HIS   3   3.428   3.192   0.683
   14    HB2  HIS   3           HB2      HIS   3   4.435   5.115   1.706
   15    HB3  HIS   3           HB1      HIS   3   3.000   5.398   2.709
   16    HD1  HIS   3           HD1      HIS   3   3.098   4.506   5.035
   17    HD2  HIS   3           HD2      HIS   3   5.867   2.676   2.446
   18    HE1  HIS   3           HE1      HIS   3   4.443   2.857   6.422
   19    H    TRP   4           HN       TRP   4   0.434   4.498   2.025
   20    HA   TRP   4           HA       TRP   4   0.018   2.328   3.896
   21    HB2  TRP   4           HB2      TRP   4  -1.047   4.731   3.737
   22    HB3  TRP   4           HB1      TRP   4  -2.253   3.929   2.719
   23    HD1  TRP   4           HD1      TRP   4  -1.391   4.584   6.298
   24    HE1  TRP   4           HE1      TRP   4  -2.957   3.262   7.891
   25    HE3  TRP   4           HE3      TRP   4  -3.521   1.462   2.860
   26    HZ2  TRP   4           HZ2      TRP   4  -4.821   1.181   7.662
   27    HZ3  TRP   4           HZ3      TRP   4  -5.184  -0.177   3.619
   28    HH2  TRP   4           HH2      TRP   4  -5.832  -0.311   5.998
   29    H    ALA   5           HN       ALA   5  -1.077   3.018   0.573
   30    HA   ALA   5           HA       ALA   5  -2.773   0.689   0.416
   31    HB1  ALA   5           HB1      ALA   5  -2.553   2.900  -1.080
   32    HB2  ALA   5           HB2      ALA   5  -3.239   1.391  -1.717
   33    HB3  ALA   5           HB3      ALA   5  -1.553   1.813  -2.077
   34    H    VAL   6           HN       VAL   6   0.580   1.371  -0.595
   35    HA   VAL   6           HA       VAL   6   1.110  -1.043  -1.941
   36    HB   VAL   6           HB       VAL   6   2.998   0.525  -0.165
   37   HG11  VAL   6          HG11      VAL   6   4.724  -0.445  -1.769
   38   HG12  VAL   6          HG12      VAL   6   3.449  -1.568  -2.301
   39   HG13  VAL   6          HG13      VAL   6   4.001  -1.582  -0.608
   40   HG21  VAL   6          HG21      VAL   6   3.050   0.791  -3.138
   41   HG22  VAL   6          HG22      VAL   6   3.335   2.013  -1.878
   42   HG23  VAL   6          HG23      VAL   6   1.677   1.543  -2.308
   43    H    GLY   7           HN       GLY   7   0.758  -0.404   1.482
   44    HA2  GLY   7           HA1      GLY   7   2.157  -2.603   2.553
   45    HA3  GLY   7           HA2      GLY   7   0.716  -1.863   3.273
   46    H    HIS   8           HN       HIS   8  -0.920  -2.496   0.861
   47    HA   HIS   8           HA       HIS   8  -1.569  -5.278   1.672
   48    HB2  HIS   8           HB2      HIS   8  -2.969  -3.157   0.044
   49    HB3  HIS   8           HB1      HIS   8  -3.536  -4.837   0.061
   50    HD1  HIS   8           HD1      HIS   8  -3.812  -5.802   2.724
   51    HD2  HIS   8           HD2      HIS   8  -4.371  -1.726   1.838
   52    HE1  HIS   8           HE1      HIS   8  -5.086  -4.783   4.672
   53    H    LEU   9           HN       LEU   9  -0.375  -3.442  -1.103
   54    HA   LEU   9           HA       LEU   9  -0.655  -5.573  -3.023
   55    HB2  LEU   9           HB2      LEU   9   1.404  -3.368  -3.088
   56    HB3  LEU   9           HB1      LEU   9   0.709  -4.250  -4.453
   57    HG   LEU   9           HG       LEU   9  -0.793  -2.322  -2.669
   58   HD11  LEU   9          HD11      LEU   9   1.027  -1.372  -4.234
   59   HD12  LEU   9          HD12      LEU   9  -0.614  -0.709  -4.382
   60   HD13  LEU   9          HD13      LEU   9  -0.029  -1.904  -5.561
   61   HD21  LEU   9          HD21      LEU   9  -2.494  -2.479  -4.539
   62   HD22  LEU   9          HD22      LEU   9  -2.320  -3.952  -3.556
   63   HD23  LEU   9          HD23      LEU   9  -1.561  -3.859  -5.164
   64    H    MET  10           HN       MET  10   1.863  -4.643  -0.718
   65    HA   MET  10           HA       MET  10   3.982  -6.213  -1.729
   66    HB2  MET  10           HB2      MET  10   3.882  -4.513   0.243
   67    HB3  MET  10           HB1      MET  10   3.470  -5.922   1.236
   68    HG2  MET  10           HG2      MET  10   5.899  -5.972  -0.543
   69    HG3  MET  10           HG1      MET  10   5.957  -5.183   1.038
   70    HE1  MET  10           HE1      MET  10   7.139  -9.290   0.421
   71    HE2  MET  10           HE2      MET  10   6.100  -8.623  -0.861
   72    HE3  MET  10           HE3      MET  10   7.525  -7.711  -0.306
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   3.222   9.486   0.731
    2    H2   GLY   1           HT2      GLY   1   3.675  10.835  -0.195
    3    H3   GLY   1           HT3      GLY   1   4.264   9.292  -0.591
    4    HA2  GLY   1           HA1      GLY   1   1.571  10.393  -0.913
    5    HA3  GLY   1           HA2      GLY   1   2.633   9.666  -2.133
    6    H    ASN   2           HN       ASN   2   2.251   7.636  -2.704
    7    HA   ASN   2           HA       ASN   2   0.207   6.121  -1.224
    8    HB2  ASN   2           HB2      ASN   2   1.696   5.784  -3.814
    9    HB3  ASN   2           HB1      ASN   2   0.845   4.392  -3.111
   10   HD21  ASN   2          HD21      ASN   2  -1.280   4.152  -3.530
   11   HD22  ASN   2          HD22      ASN   2  -2.310   5.415  -4.212
   12    H    HIS   3           HN       HIS   3   1.035   5.481   0.722
   13    HA   HIS   3           HA       HIS   3   3.340   3.549   0.550
   14    HB2  HIS   3           HB2      HIS   3   3.628   5.870   1.758
   15    HB3  HIS   3           HB1      HIS   3   2.731   5.084   3.068
   16    HD1  HIS   3           HD1      HIS   3   6.093   5.567   1.738
   17    HD2  HIS   3           HD2      HIS   3   4.083   2.436   3.708
   18    HE1  HIS   3           HE1      HIS   3   7.869   4.085   2.794
   19    H    TRP   4           HN       TRP   4   0.323   4.482   2.204
   20    HA   TRP   4           HA       TRP   4   0.154   2.152   3.852
   21    HB2  TRP   4           HB2      TRP   4  -1.197   4.387   3.871
   22    HB3  TRP   4           HB1      TRP   4  -2.286   3.551   2.750
   23    HD1  TRP   4           HD1      TRP   4  -1.577   3.972   6.396
   24    HE1  TRP   4           HE1      TRP   4  -3.018   2.345   7.818
   25    HE3  TRP   4           HE3      TRP   4  -3.274   0.957   2.635
   26    HZ2  TRP   4           HZ2      TRP   4  -4.631   0.101   7.351
   27    HZ3  TRP   4           HZ3      TRP   4  -4.752  -0.917   3.195
   28    HH2  TRP   4           HH2      TRP   4  -5.430  -1.337   5.531
   29    H    ALA   5           HN       ALA   5  -1.361   2.901   0.687
   30    HA   ALA   5           HA       ALA   5  -2.687   0.426   0.359
   31    HB1  ALA   5           HB1      ALA   5  -1.520   2.340  -1.677
   32    HB2  ALA   5           HB2      ALA   5  -3.200   2.261  -1.091
   33    HB3  ALA   5           HB3      ALA   5  -2.546   0.949  -2.101
   34    H    VAL   6           HN       VAL   6   0.664   1.361  -0.331
   35    HA   VAL   6           HA       VAL   6   1.443  -0.901  -1.844
   36    HB   VAL   6           HB       VAL   6   3.088   0.646   0.177
   37   HG11  VAL   6          HG11      VAL   6   3.831  -1.264  -2.046
   38   HG12  VAL   6          HG12      VAL   6   4.256  -1.369  -0.321
   39   HG13  VAL   6          HG13      VAL   6   4.987  -0.108  -1.343
   40   HG21  VAL   6          HG21      VAL   6   2.007   2.024  -1.618
   41   HG22  VAL   6          HG22      VAL   6   2.863   1.029  -2.821
   42   HG23  VAL   6          HG23      VAL   6   3.786   2.032  -1.677
   43    H    GLY   7           HN       GLY   7   0.804  -0.550   1.584
   44    HA2  GLY   7           HA1      GLY   7   2.233  -2.904   2.432
   45    HA3  GLY   7           HA2      GLY   7   0.947  -2.074   3.315
   46    H    HIS   8           HN       HIS   8  -0.879  -2.375   0.931
   47    HA   HIS   8           HA       HIS   8  -1.767  -5.139   1.634
   48    HB2  HIS   8           HB2      HIS   8  -3.423  -3.414   1.923
   49    HB3  HIS   8           HB1      HIS   8  -3.152  -2.816   0.276
   50    HD1  HIS   8           HD1      HIS   8  -3.892  -4.473  -1.728
   51    HD2  HIS   8           HD2      HIS   8  -5.423  -5.238   2.116
   52    HE1  HIS   8           HE1      HIS   8  -5.820  -6.103  -2.004
   53    H    LEU   9           HN       LEU   9  -0.971  -3.075  -1.161
   54    HA   LEU   9           HA       LEU   9  -1.594  -5.027  -3.164
   55    HB2  LEU   9           HB2      LEU   9   0.470  -2.827  -3.275
   56    HB3  LEU   9           HB1      LEU   9  -0.257  -3.655  -4.659
   57    HG   LEU   9           HG       LEU   9  -1.954  -2.109  -2.707
   58   HD11  LEU   9          HD11      LEU   9  -0.431  -1.024  -5.093
   59   HD12  LEU   9          HD12      LEU   9  -0.269  -0.517  -3.396
   60   HD13  LEU   9          HD13      LEU   9  -1.768  -0.172  -4.286
   61   HD21  LEU   9          HD21      LEU   9  -2.232  -2.826  -5.643
   62   HD22  LEU   9          HD22      LEU   9  -3.410  -1.879  -4.704
   63   HD23  LEU   9          HD23      LEU   9  -3.106  -3.583  -4.291
   64    H    MET  10           HN       MET  10   1.288  -4.400  -1.213
   65    HA   MET  10           HA       MET  10   3.159  -5.941  -2.670
   66    HB2  MET  10           HB2      MET  10   4.336  -6.204  -0.499
   67    HB3  MET  10           HB1      MET  10   3.850  -4.532  -0.836
   68    HG2  MET  10           HG2      MET  10   3.190  -4.694   1.357
   69    HG3  MET  10           HG1      MET  10   1.712  -5.285   0.580
   70    HE1  MET  10           HE1      MET  10   4.575  -7.497   3.347
   71    HE2  MET  10           HE2      MET  10   5.057  -6.148   2.289
   72    HE3  MET  10           HE3      MET  10   3.835  -5.891   3.558
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   3.081  10.825   1.225
    2    H2   GLY   1           HT2      GLY   1   3.072   9.252   1.866
    3    H3   GLY   1           HT3      GLY   1   1.635  10.157   1.804
    4    HA2  GLY   1           HA1      GLY   1   1.874  10.215  -0.638
    5    HA3  GLY   1           HA2      GLY   1   3.173   9.025  -0.427
    6    H    ASN   2           HN       ASN   2   2.019   7.487  -1.652
    7    HA   ASN   2           HA       ASN   2  -0.496   6.469  -0.366
    8    HB2  ASN   2           HB2      ASN   2  -0.381   7.099  -2.851
    9    HB3  ASN   2           HB1      ASN   2   0.627   5.652  -3.055
   10   HD21  ASN   2          HD21      ASN   2  -0.741   4.350  -4.220
   11   HD22  ASN   2          HD22      ASN   2  -2.313   3.814  -3.616
   12    H    HIS   3           HN       HIS   3   2.228   6.039   0.702
   13    HA   HIS   3           HA       HIS   3   3.102   3.379   0.049
   14    HB2  HIS   3           HB2      HIS   3   4.461   5.130   1.205
   15    HB3  HIS   3           HB1      HIS   3   3.468   4.878   2.650
   16    HD1  HIS   3           HD1      HIS   3   3.988   2.880   4.149
   17    HD2  HIS   3           HD2      HIS   3   6.278   3.054   0.620
   18    HE1  HIS   3           HE1      HIS   3   5.760   1.066   4.314
   19    H    TRP   4           HN       TRP   4   0.589   4.654   2.118
   20    HA   TRP   4           HA       TRP   4   0.270   2.463   3.889
   21    HB2  TRP   4           HB2      TRP   4  -0.887   4.815   3.761
   22    HB3  TRP   4           HB1      TRP   4  -2.113   3.966   2.804
   23    HD1  TRP   4           HD1      TRP   4  -1.077   4.650   6.341
   24    HE1  TRP   4           HE1      TRP   4  -2.542   3.307   8.011
   25    HE3  TRP   4           HE3      TRP   4  -3.337   1.500   3.014
   26    HZ2  TRP   4           HZ2      TRP   4  -4.388   1.202   7.876
   27    HZ3  TRP   4           HZ3      TRP   4  -4.940  -0.159   3.856
   28    HH2  TRP   4           HH2      TRP   4  -5.462  -0.303   6.265
   29    H    ALA   5           HN       ALA   5  -1.162   3.068   0.667
   30    HA   ALA   5           HA       ALA   5  -2.743   0.680   0.632
   31    HB1  ALA   5           HB1      ALA   5  -1.591   2.084  -1.788
   32    HB2  ALA   5           HB2      ALA   5  -2.978   2.713  -0.866
   33    HB3  ALA   5           HB3      ALA   5  -3.091   1.134  -1.680
   34    H    VAL   6           HN       VAL   6   0.609   1.372  -0.234
   35    HA   VAL   6           HA       VAL   6   1.189  -0.951  -1.723
   36    HB   VAL   6           HB       VAL   6   3.014   0.457   0.239
   37   HG11  VAL   6          HG11      VAL   6   3.994  -1.629  -0.352
   38   HG12  VAL   6          HG12      VAL   6   4.796  -0.388  -1.345
   39   HG13  VAL   6          HG13      VAL   6   3.537  -1.426  -2.060
   40   HG21  VAL   6          HG21      VAL   6   3.733   1.829  -1.625
   41   HG22  VAL   6          HG22      VAL   6   1.966   1.958  -1.470
   42   HG23  VAL   6          HG23      VAL   6   2.672   0.928  -2.735
   43    H    GLY   7           HN       GLY   7   0.604  -0.550   1.687
   44    HA2  GLY   7           HA1      GLY   7   1.953  -2.807   2.711
   45    HA3  GLY   7           HA2      GLY   7   0.455  -2.124   3.372
   46    H    HIS   8           HN       HIS   8  -0.912  -2.623   0.719
   47    HA   HIS   8           HA       HIS   8  -1.693  -5.413   1.357
   48    HB2  HIS   8           HB2      HIS   8  -2.821  -3.280  -0.460
   49    HB3  HIS   8           HB1      HIS   8  -3.437  -4.941  -0.443
   50    HD1  HIS   8           HD1      HIS   8  -2.331  -3.445   2.824
   51    HD2  HIS   8           HD2      HIS   8  -5.867  -3.757   0.562
   52    HE1  HIS   8           HE1      HIS   8  -4.267  -2.956   4.394
   53    H    LEU   9           HN       LEU   9  -0.137  -3.532  -1.212
   54    HA   LEU   9           HA       LEU   9  -0.141  -5.688  -3.147
   55    HB2  LEU   9           HB2      LEU   9   1.681  -3.293  -2.937
   56    HB3  LEU   9           HB1      LEU   9   1.463  -4.309  -4.365
   57    HG   LEU   9           HG       LEU   9  -0.808  -2.744  -3.139
   58   HD11  LEU   9          HD11      LEU   9  -0.371  -0.903  -4.512
   59   HD12  LEU   9          HD12      LEU   9   0.741  -1.822  -5.551
   60   HD13  LEU   9          HD13      LEU   9   1.249  -1.328  -3.932
   61   HD21  LEU   9          HD21      LEU   9  -1.551  -4.496  -4.614
   62   HD22  LEU   9          HD22      LEU   9  -0.330  -4.057  -5.832
   63   HD23  LEU   9          HD23      LEU   9  -1.688  -2.959  -5.496
   64    H    MET  10           HN       MET  10   2.483  -4.254  -1.152
   65    HA   MET  10           HA       MET  10   4.250  -6.513  -1.752
   66    HB2  MET  10           HB2      MET  10   4.504  -4.184   0.172
   67    HB3  MET  10           HB1      MET  10   5.773  -5.383  -0.135
   68    HG2  MET  10           HG2      MET  10   4.557  -3.725  -2.340
   69    HG3  MET  10           HG1      MET  10   5.945  -3.163  -1.389
   70    HE1  MET  10           HE1      MET  10   8.916  -4.824  -2.871
   71    HE2  MET  10           HE2      MET  10   8.262  -4.591  -1.232
   72    HE3  MET  10           HE3      MET  10   8.149  -3.278  -2.428
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   2.281  10.792  -1.222
    2    H2   GLY   1           HT2      GLY   1   2.609   9.710  -2.490
    3    H3   GLY   1           HT3      GLY   1   3.879  10.542  -1.725
    4    HA2  GLY   1           HA1      GLY   1   3.928   8.380  -0.916
    5    HA3  GLY   1           HA2      GLY   1   3.275   9.427   0.359
    6    H    ASN   2           HN       ASN   2   2.845   6.594  -1.407
    7    HA   ASN   2           HA       ASN   2   0.011   6.393  -0.418
    8    HB2  ASN   2           HB2      ASN   2   0.241   6.736  -2.937
    9    HB3  ASN   2           HB1      ASN   2   1.000   5.133  -2.984
   10   HD21  ASN   2          HD21      ASN   2  -0.709   4.304  -4.296
   11   HD22  ASN   2          HD22      ASN   2  -2.291   3.953  -3.590
   12    H    HIS   3           HN       HIS   3   2.669   5.563   0.684
   13    HA   HIS   3           HA       HIS   3   3.120   2.802   0.359
   14    HB2  HIS   3           HB2      HIS   3   3.585   4.758   2.573
   15    HB3  HIS   3           HB1      HIS   3   3.844   3.036   2.901
   16    HD1  HIS   3           HD1      HIS   3   6.355   2.951   3.049
   17    HD2  HIS   3           HD2      HIS   3   4.915   4.666  -0.516
   18    HE1  HIS   3           HE1      HIS   3   8.367   3.366   1.552
   19    H    TRP   4           HN       TRP   4   0.656   4.515   2.188
   20    HA   TRP   4           HA       TRP   4  -0.196   2.502   3.947
   21    HB2  TRP   4           HB2      TRP   4  -1.027   4.958   3.515
   22    HB3  TRP   4           HB1      TRP   4  -2.227   4.178   2.472
   23    HD1  TRP   4           HD1      TRP   4  -1.534   5.026   6.056
   24    HE1  TRP   4           HE1      TRP   4  -3.335   4.000   7.619
   25    HE3  TRP   4           HE3      TRP   4  -3.762   1.896   2.692
   26    HZ2  TRP   4           HZ2      TRP   4  -5.398   2.117   7.395
   27    HZ3  TRP   4           HZ3      TRP   4  -5.646   0.506   3.436
   28    HH2  TRP   4           HH2      TRP   4  -6.459   0.619   5.767
   29    H    ALA   5           HN       ALA   5  -0.983   2.961   0.503
   30    HA   ALA   5           HA       ALA   5  -2.767   0.628   0.494
   31    HB1  ALA   5           HB1      ALA   5  -2.894   1.064  -1.940
   32    HB2  ALA   5           HB2      ALA   5  -1.671   2.343  -1.752
   33    HB3  ALA   5           HB3      ALA   5  -3.260   2.506  -0.966
   34    H    VAL   6           HN       VAL   6   0.567   1.398  -0.403
   35    HA   VAL   6           HA       VAL   6   1.127  -0.951  -1.885
   36    HB   VAL   6           HB       VAL   6   3.037   0.579  -0.137
   37   HG11  VAL   6          HG11      VAL   6   4.028  -1.490  -0.787
   38   HG12  VAL   6          HG12      VAL   6   4.707  -0.229  -1.845
   39   HG13  VAL   6          HG13      VAL   6   3.432  -1.313  -2.454
   40   HG21  VAL   6          HG21      VAL   6   2.612   0.985  -3.099
   41   HG22  VAL   6          HG22      VAL   6   3.442   2.050  -1.941
   42   HG23  VAL   6          HG23      VAL   6   1.675   1.899  -1.903
   43    H    GLY   7           HN       GLY   7   0.768  -0.400   1.533
   44    HA2  GLY   7           HA1      GLY   7   2.281  -2.600   2.512
   45    HA3  GLY   7           HA2      GLY   7   0.892  -1.853   3.323
   46    H    HIS   8           HN       HIS   8  -0.736  -2.509   0.799
   47    HA   HIS   8           HA       HIS   8  -1.246  -5.381   1.554
   48    HB2  HIS   8           HB2      HIS   8  -3.014  -3.081   0.816
   49    HB3  HIS   8           HB1      HIS   8  -3.535  -4.713   0.360
   50    HD1  HIS   8           HD1      HIS   8  -1.579  -4.437   3.538
   51    HD2  HIS   8           HD2      HIS   8  -5.591  -4.634   2.277
   52    HE1  HIS   8           HE1      HIS   8  -2.999  -4.792   5.614
   53    H    LEU   9           HN       LEU   9  -0.613  -3.112  -1.050
   54    HA   LEU   9           HA       LEU   9  -1.319  -4.910  -3.198
   55    HB2  LEU   9           HB2      LEU   9   0.504  -2.518  -3.098
   56    HB3  LEU   9           HB1      LEU   9   0.096  -3.362  -4.572
   57    HG   LEU   9           HG       LEU   9  -2.014  -2.140  -2.804
   58   HD11  LEU   9          HD11      LEU   9  -0.538  -0.320  -3.412
   59   HD12  LEU   9          HD12      LEU   9  -1.999  -0.220  -4.417
   60   HD13  LEU   9          HD13      LEU   9  -0.490  -0.874  -5.100
   61   HD21  LEU   9          HD21      LEU   9  -1.901  -3.101  -5.679
   62   HD22  LEU   9          HD22      LEU   9  -3.231  -2.114  -5.036
   63   HD23  LEU   9          HD23      LEU   9  -2.918  -3.724  -4.362
   64    H    MET  10           HN       MET  10   1.516  -4.468  -1.191
   65    HA   MET  10           HA       MET  10   3.494  -5.643  -2.814
   66    HB2  MET  10           HB2      MET  10   4.591  -6.295  -0.684
   67    HB3  MET  10           HB1      MET  10   4.045  -4.607  -0.704
   68    HG2  MET  10           HG2      MET  10   3.290  -5.218   1.382
   69    HG3  MET  10           HG1      MET  10   1.883  -5.715   0.420
   70    HE1  MET  10           HE1      MET  10   0.839  -8.013   0.698
   71    HE2  MET  10           HE2      MET  10   1.396  -8.982   2.084
   72    HE3  MET  10           HE3      MET  10   1.040  -7.250   2.293
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   2.734  10.933  -0.762
    2    H2   GLY   1           HT2      GLY   1   1.130  10.589  -1.205
    3    H3   GLY   1           HT3      GLY   1   2.282  10.967  -2.395
    4    HA2  GLY   1           HA1      GLY   1   2.592   8.843  -2.658
    5    HA3  GLY   1           HA2      GLY   1   3.398   8.898  -1.079
    6    H    ASN   2           HN       ASN   2   1.950   6.687  -2.275
    7    HA   ASN   2           HA       ASN   2  -0.308   6.461  -0.289
    8    HB2  ASN   2           HB2      ASN   2  -1.151   4.675  -1.933
    9    HB3  ASN   2           HB1      ASN   2  -1.315   6.375  -2.410
   10   HD21  ASN   2          HD21      ASN   2   0.352   3.325  -3.014
   11   HD22  ASN   2          HD22      ASN   2   1.100   3.828  -4.534
   12    H    HIS   3           HN       HIS   3   2.307   5.983   0.515
   13    HA   HIS   3           HA       HIS   3   3.244   3.337   0.233
   14    HB2  HIS   3           HB2      HIS   3   4.438   5.203   1.364
   15    HB3  HIS   3           HB1      HIS   3   3.328   5.042   2.736
   16    HD1  HIS   3           HD1      HIS   3   4.136   3.599   4.597
   17    HD2  HIS   3           HD2      HIS   3   6.031   2.764   0.933
   18    HE1  HIS   3           HE1      HIS   3   5.836   1.762   5.034
   19    H    TRP   4           HN       TRP   4   0.546   4.604   2.083
   20    HA   TRP   4           HA       TRP   4   0.227   2.394   3.872
   21    HB2  TRP   4           HB2      TRP   4  -0.896   4.759   3.799
   22    HB3  TRP   4           HB1      TRP   4  -2.121   3.961   2.797
   23    HD1  TRP   4           HD1      TRP   4  -1.182   4.564   6.360
   24    HE1  TRP   4           HE1      TRP   4  -2.675   3.176   7.969
   25    HE3  TRP   4           HE3      TRP   4  -3.327   1.449   2.923
   26    HZ2  TRP   4           HZ2      TRP   4  -4.494   1.055   7.749
   27    HZ3  TRP   4           HZ3      TRP   4  -4.926  -0.243   3.694
   28    HH2  TRP   4           HH2      TRP   4  -5.509  -0.434   6.086
   29    H    ALA   5           HN       ALA   5  -1.160   3.089   0.648
   30    HA   ALA   5           HA       ALA   5  -2.777   0.723   0.546
   31    HB1  ALA   5           HB1      ALA   5  -3.009   1.199  -1.813
   32    HB2  ALA   5           HB2      ALA   5  -1.574   2.251  -1.780
   33    HB3  ALA   5           HB3      ALA   5  -3.052   2.732  -0.913
   34    H    VAL   6           HN       VAL   6   0.598   1.379  -0.248
   35    HA   VAL   6           HA       VAL   6   1.135  -0.952  -1.774
   36    HB   VAL   6           HB       VAL   6   2.979   0.511   0.139
   37   HG11  VAL   6          HG11      VAL   6   4.755  -0.417  -1.433
   38   HG12  VAL   6          HG12      VAL   6   3.489  -1.499  -2.062
   39   HG13  VAL   6          HG13      VAL   6   3.976  -1.596  -0.352
   40   HG21  VAL   6          HG21      VAL   6   1.910   1.907  -1.666
   41   HG22  VAL   6          HG22      VAL   6   2.688   0.839  -2.859
   42   HG23  VAL   6          HG23      VAL   6   3.685   1.817  -1.757
   43    H    GLY   7           HN       GLY   7   0.621  -0.507   1.651
   44    HA2  GLY   7           HA1      GLY   7   1.981  -2.721   2.708
   45    HA3  GLY   7           HA2      GLY   7   0.454  -2.079   3.342
   46    H    HIS   8           HN       HIS   8  -1.023  -2.625   0.855
   47    HA   HIS   8           HA       HIS   8  -1.626  -5.450   1.443
   48    HB2  HIS   8           HB2      HIS   8  -2.889  -3.304  -0.251
   49    HB3  HIS   8           HB1      HIS   8  -3.397  -4.996  -0.402
   50    HD1  HIS   8           HD1      HIS   8  -2.596  -2.912   2.742
   51    HD2  HIS   8           HD2      HIS   8  -5.641  -5.280   1.058
   52    HE1  HIS   8           HE1      HIS   8  -4.520  -2.946   4.401
   53    H    LEU   9           HN       LEU   9  -0.169  -3.509  -1.125
   54    HA   LEU   9           HA       LEU   9  -0.184  -5.531  -3.155
   55    HB2  LEU   9           HB2      LEU   9   1.717  -3.244  -2.671
   56    HB3  LEU   9           HB1      LEU   9   1.663  -4.198  -4.157
   57    HG   LEU   9           HG       LEU   9  -0.697  -2.618  -3.120
   58   HD11  LEU   9          HD11      LEU   9   0.741  -1.541  -5.466
   59   HD12  LEU   9          HD12      LEU   9   1.684  -1.446  -3.972
   60   HD13  LEU   9          HD13      LEU   9   0.076  -0.701  -4.053
   61   HD21  LEU   9          HD21      LEU   9  -0.015  -3.984  -5.734
   62   HD22  LEU   9          HD22      LEU   9  -1.288  -2.748  -5.614
   63   HD23  LEU   9          HD23      LEU   9  -1.422  -4.252  -4.679
   64    H    MET  10           HN       MET  10   2.357  -4.539  -0.825
   65    HA   MET  10           HA       MET  10   4.281  -6.473  -1.618
   66    HB2  MET  10           HB2      MET  10   3.748  -4.879   0.861
   67    HB3  MET  10           HB1      MET  10   4.924  -6.204   0.964
   68    HG2  MET  10           HG2      MET  10   5.126  -4.146  -1.214
   69    HG3  MET  10           HG1      MET  10   5.781  -3.824   0.405
   70    HE1  MET  10           HE1      MET  10   7.737  -3.259  -0.901
   71    HE2  MET  10           HE2      MET  10   8.985  -4.391  -1.476
   72    HE3  MET  10           HE3      MET  10   8.711  -4.179   0.271
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   1.115  10.252  -2.292
    2    H2   GLY   1           HT2      GLY   1   2.757  10.584  -2.575
    3    H3   GLY   1           HT3      GLY   1   1.797  11.690  -1.712
    4    HA2  GLY   1           HA1      GLY   1   3.387   9.790  -0.664
    5    HA3  GLY   1           HA2      GLY   1   2.105  10.684   0.177
    6    H    ASN   2           HN       ASN   2   2.292   7.994  -2.204
    7    HA   ASN   2           HA       ASN   2   0.136   6.617  -0.663
    8    HB2  ASN   2           HB2      ASN   2   0.194   7.007  -3.249
    9    HB3  ASN   2           HB1      ASN   2   1.299   5.619  -3.265
   10   HD21  ASN   2          HD21      ASN   2   0.159   3.901  -3.986
   11   HD22  ASN   2          HD22      ASN   2  -1.427   3.425  -3.370
   12    H    HIS   3           HN       HIS   3   0.978   5.557   1.030
   13    HA   HIS   3           HA       HIS   3   3.189   3.603   0.426
   14    HB2  HIS   3           HB2      HIS   3   2.845   5.527   2.694
   15    HB3  HIS   3           HB1      HIS   3   3.619   3.964   3.018
   16    HD1  HIS   3           HD1      HIS   3   4.222   7.351   1.634
   17    HD2  HIS   3           HD2      HIS   3   5.971   3.539   1.287
   18    HE1  HIS   3           HE1      HIS   3   6.594   7.688   0.783
   19    H    TRP   4           HN       TRP   4   0.397   4.407   2.506
   20    HA   TRP   4           HA       TRP   4   0.190   1.931   3.838
   21    HB2  TRP   4           HB2      TRP   4  -1.151   4.169   4.065
   22    HB3  TRP   4           HB1      TRP   4  -2.278   3.415   2.924
   23    HD1  TRP   4           HD1      TRP   4  -1.399   3.539   6.568
   24    HE1  TRP   4           HE1      TRP   4  -2.805   1.824   7.919
   25    HE3  TRP   4           HE3      TRP   4  -3.318   0.876   2.653
   26    HZ2  TRP   4           HZ2      TRP   4  -4.483  -0.346   7.342
   27    HZ3  TRP   4           HZ3      TRP   4  -4.815  -1.015   3.129
   28    HH2  TRP   4           HH2      TRP   4  -5.392  -1.616   5.453
   29    H    ALA   5           HN       ALA   5  -1.158   2.942   0.688
   30    HA   ALA   5           HA       ALA   5  -2.665   0.613   0.152
   31    HB1  ALA   5           HB1      ALA   5  -1.131   2.262  -1.872
   32    HB2  ALA   5           HB2      ALA   5  -2.699   2.732  -1.175
   33    HB3  ALA   5           HB3      ALA   5  -2.570   1.262  -2.172
   34    H    VAL   6           HN       VAL   6   0.778   1.309  -0.463
   35    HA   VAL   6           HA       VAL   6   1.390  -1.042  -1.906
   36    HB   VAL   6           HB       VAL   6   3.171   0.452   0.026
   37   HG11  VAL   6          HG11      VAL   6   3.739  -1.551  -2.164
   38   HG12  VAL   6          HG12      VAL   6   4.187  -1.651  -0.445
   39   HG13  VAL   6          HG13      VAL   6   4.982  -0.462  -1.504
   40   HG21  VAL   6          HG21      VAL   6   2.943   0.767  -2.977
   41   HG22  VAL   6          HG22      VAL   6   3.884   1.771  -1.849
   42   HG23  VAL   6          HG23      VAL   6   2.106   1.821  -1.812
   43    H    GLY   7           HN       GLY   7   0.992  -0.483   1.552
   44    HA2  GLY   7           HA1      GLY   7   2.247  -2.857   2.490
   45    HA3  GLY   7           HA2      GLY   7   0.953  -1.971   3.319
   46    H    HIS   8           HN       HIS   8  -0.895  -2.323   1.005
   47    HA   HIS   8           HA       HIS   8  -1.745  -5.090   1.730
   48    HB2  HIS   8           HB2      HIS   8  -3.200  -2.896   1.791
   49    HB3  HIS   8           HB1      HIS   8  -3.386  -3.199   0.057
   50    HD1  HIS   8           HD1      HIS   8  -4.508  -5.552  -0.627
   51    HD2  HIS   8           HD2      HIS   8  -4.602  -4.590   3.471
   52    HE1  HIS   8           HE1      HIS   8  -6.298  -7.001   0.441
   53    H    LEU   9           HN       LEU   9  -0.632  -3.128  -0.967
   54    HA   LEU   9           HA       LEU   9  -1.415  -5.045  -3.014
   55    HB2  LEU   9           HB2      LEU   9   0.548  -2.762  -3.024
   56    HB3  LEU   9           HB1      LEU   9   0.125  -3.697  -4.450
   57    HG   LEU   9           HG       LEU   9  -2.025  -2.313  -2.873
   58   HD11  LEU   9          HD11      LEU   9  -0.494  -0.514  -3.239
   59   HD12  LEU   9          HD12      LEU   9  -1.744  -0.383  -4.497
   60   HD13  LEU   9          HD13      LEU   9  -0.149  -1.066  -4.894
   61   HD21  LEU   9          HD21      LEU   9  -3.104  -2.236  -5.100
   62   HD22  LEU   9          HD22      LEU   9  -2.688  -3.899  -4.628
   63   HD23  LEU   9          HD23      LEU   9  -1.676  -3.027  -5.804
   64    H    MET  10           HN       MET  10   1.826  -3.990  -1.871
   65    HA   MET  10           HA       MET  10   3.295  -6.038  -3.112
   66    HB2  MET  10           HB2      MET  10   3.989  -3.926  -1.686
   67    HB3  MET  10           HB1      MET  10   4.092  -5.099  -0.361
   68    HG2  MET  10           HG2      MET  10   6.273  -4.984  -1.264
   69    HG3  MET  10           HG1      MET  10   5.576  -6.467  -1.947
   70    HE1  MET  10           HE1      MET  10   7.731  -5.431  -4.941
   71    HE2  MET  10           HE2      MET  10   7.544  -6.456  -3.498
   72    HE3  MET  10           HE3      MET  10   8.229  -4.821  -3.345
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   1.751  11.844  -0.053
    2    H2   GLY   1           HT2      GLY   1   1.635  11.087   1.464
    3    H3   GLY   1           HT3      GLY   1   0.472  10.778   0.265
    4    HA2  GLY   1           HA1      GLY   1   2.569  10.067  -1.076
    5    HA3  GLY   1           HA2      GLY   1   3.173   9.779   0.566
    6    H    ASN   2           HN       ASN   2   1.978   8.210  -1.959
    7    HA   ASN   2           HA       ASN   2  -0.051   6.582  -0.552
    8    HB2  ASN   2           HB2      ASN   2   0.030   7.283  -3.073
    9    HB3  ASN   2           HB1      ASN   2   1.120   5.900  -3.255
   10   HD21  ASN   2          HD21      ASN   2  -0.315   4.683  -4.522
   11   HD22  ASN   2          HD22      ASN   2  -1.799   3.998  -3.849
   12    H    HIS   3           HN       HIS   3   1.261   5.769   1.157
   13    HA   HIS   3           HA       HIS   3   3.202   3.645   0.252
   14    HB2  HIS   3           HB2      HIS   3   4.324   5.377   1.508
   15    HB3  HIS   3           HB1      HIS   3   3.117   5.270   2.802
   16    HD1  HIS   3           HD1      HIS   3   4.391   4.375   4.765
   17    HD2  HIS   3           HD2      HIS   3   5.322   2.385   1.175
   18    HE1  HIS   3           HE1      HIS   3   5.845   2.383   5.369
   19    H    TRP   4           HN       TRP   4   0.437   4.475   2.278
   20    HA   TRP   4           HA       TRP   4   0.353   2.021   3.760
   21    HB2  TRP   4           HB2      TRP   4  -0.926   4.294   4.053
   22    HB3  TRP   4           HB1      TRP   4  -2.146   3.543   3.010
   23    HD1  TRP   4           HD1      TRP   4  -0.994   3.697   6.576
   24    HE1  TRP   4           HE1      TRP   4  -2.322   2.022   8.052
   25    HE3  TRP   4           HE3      TRP   4  -3.244   1.022   2.852
   26    HZ2  TRP   4           HZ2      TRP   4  -4.072  -0.126   7.631
   27    HZ3  TRP   4           HZ3      TRP   4  -4.732  -0.836   3.463
   28    HH2  TRP   4           HH2      TRP   4  -5.143  -1.400   5.830
   29    H    ALA   5           HN       ALA   5  -1.177   3.051   0.700
   30    HA   ALA   5           HA       ALA   5  -2.739   0.717   0.291
   31    HB1  ALA   5           HB1      ALA   5  -2.951   1.427  -1.972
   32    HB2  ALA   5           HB2      ALA   5  -1.420   2.334  -1.900
   33    HB3  ALA   5           HB3      ALA   5  -2.839   2.906  -0.988
   34    H    VAL   6           HN       VAL   6   0.685   1.278  -0.038
   35    HA   VAL   6           HA       VAL   6   1.196  -0.980  -1.793
   36    HB   VAL   6           HB       VAL   6   3.064   0.491   0.086
   37   HG11  VAL   6          HG11      VAL   6   4.066  -1.603  -0.423
   38   HG12  VAL   6          HG12      VAL   6   4.813  -0.417  -1.519
   39   HG13  VAL   6          HG13      VAL   6   3.544  -1.510  -2.122
   40   HG21  VAL   6          HG21      VAL   6   1.957   1.893  -1.682
   41   HG22  VAL   6          HG22      VAL   6   2.693   0.825  -2.901
   42   HG23  VAL   6          HG23      VAL   6   3.728   1.799  -1.830
   43    H    GLY   7           HN       GLY   7   0.735  -0.549   1.644
   44    HA2  GLY   7           HA1      GLY   7   2.127  -2.851   2.573
   45    HA3  GLY   7           HA2      GLY   7   0.743  -2.083   3.373
   46    H    HIS   8           HN       HIS   8  -0.929  -2.515   0.901
   47    HA   HIS   8           HA       HIS   8  -1.768  -5.266   1.628
   48    HB2  HIS   8           HB2      HIS   8  -3.462  -3.516   1.503
   49    HB3  HIS   8           HB1      HIS   8  -3.010  -3.175  -0.177
   50    HD1  HIS   8           HD1      HIS   8  -3.677  -4.937  -2.017
   51    HD2  HIS   8           HD2      HIS   8  -5.264  -5.560   1.833
   52    HE1  HIS   8           HE1      HIS   8  -5.483  -6.710  -2.231
   53    H    LEU   9           HN       LEU   9  -0.431  -3.450  -1.102
   54    HA   LEU   9           HA       LEU   9  -0.784  -5.529  -3.062
   55    HB2  LEU   9           HB2      LEU   9   1.276  -3.314  -2.940
   56    HB3  LEU   9           HB1      LEU   9   0.886  -4.289  -4.363
   57    HG   LEU   9           HG       LEU   9  -0.984  -2.370  -2.956
   58   HD11  LEU   9          HD11      LEU   9   0.835  -1.247  -4.180
   59   HD12  LEU   9          HD12      LEU   9  -0.736  -0.997  -4.978
   60   HD13  LEU   9          HD13      LEU   9   0.420  -2.178  -5.639
   61   HD21  LEU   9          HD21      LEU   9  -2.310  -2.771  -5.148
   62   HD22  LEU   9          HD22      LEU   9  -2.378  -4.027  -3.894
   63   HD23  LEU   9          HD23      LEU   9  -1.314  -4.238  -5.307
   64    H    MET  10           HN       MET  10   2.060  -4.530  -1.117
   65    HA   MET  10           HA       MET  10   3.596  -6.854  -2.023
   66    HB2  MET  10           HB2      MET  10   4.089  -4.724   0.071
   67    HB3  MET  10           HB1      MET  10   5.230  -6.039  -0.270
   68    HG2  MET  10           HG2      MET  10   5.232  -5.254  -2.675
   69    HG3  MET  10           HG1      MET  10   4.341  -3.820  -2.121
   70    HE1  MET  10           HE1      MET  10   7.977  -2.496  -2.817
   71    HE2  MET  10           HE2      MET  10   6.285  -1.943  -2.809
   72    HE3  MET  10           HE3      MET  10   6.736  -3.411  -3.709
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   3.689  10.573  -1.406
    2    H2   GLY   1           HT2      GLY   1   3.511   8.979  -0.846
    3    H3   GLY   1           HT3      GLY   1   3.255  10.287   0.207
    4    HA2  GLY   1           HA1      GLY   1   1.228  10.699  -0.516
    5    HA3  GLY   1           HA2      GLY   1   1.665  10.284  -2.184
    6    H    ASN   2           HN       ASN   2   2.441   7.790  -2.249
    7    HA   ASN   2           HA       ASN   2   0.130   6.275  -1.048
    8    HB2  ASN   2           HB2      ASN   2   0.272   6.508  -3.569
    9    HB3  ASN   2           HB1      ASN   2   1.742   5.516  -3.487
   10   HD21  ASN   2          HD21      ASN   2  -1.729   5.541  -3.462
   11   HD22  ASN   2          HD22      ASN   2  -1.949   3.801  -3.248
   12    H    HIS   3           HN       HIS   3   0.897   5.444   0.810
   13    HA   HIS   3           HA       HIS   3   3.295   3.647   0.551
   14    HB2  HIS   3           HB2      HIS   3   2.726   5.805   2.538
   15    HB3  HIS   3           HB1      HIS   3   3.503   4.329   3.135
   16    HD1  HIS   3           HD1      HIS   3   4.257   7.579   1.723
   17    HD2  HIS   3           HD2      HIS   3   5.877   3.717   1.304
   18    HE1  HIS   3           HE1      HIS   3   6.653   7.856   0.920
   19    H    TRP   4           HN       TRP   4   0.286   4.450   2.282
   20    HA   TRP   4           HA       TRP   4   0.213   2.042   3.833
   21    HB2  TRP   4           HB2      TRP   4  -1.181   4.286   3.937
   22    HB3  TRP   4           HB1      TRP   4  -2.319   3.397   2.910
   23    HD1  TRP   4           HD1      TRP   4  -1.304   3.858   6.490
   24    HE1  TRP   4           HE1      TRP   4  -2.582   2.209   8.035
   25    HE3  TRP   4           HE3      TRP   4  -3.254   0.805   2.892
   26    HZ2  TRP   4           HZ2      TRP   4  -4.187  -0.067   7.713
   27    HZ3  TRP   4           HZ3      TRP   4  -4.654  -1.097   3.584
   28    HH2  TRP   4           HH2      TRP   4  -5.115  -1.524   5.973
   29    H    ALA   5           HN       ALA   5  -1.236   2.916   0.683
   30    HA   ALA   5           HA       ALA   5  -2.676   0.524   0.257
   31    HB1  ALA   5           HB1      ALA   5  -3.090   2.295  -1.237
   32    HB2  ALA   5           HB2      ALA   5  -2.251   1.083  -2.234
   33    HB3  ALA   5           HB3      ALA   5  -1.369   2.496  -1.611
   34    H    VAL   6           HN       VAL   6   0.724   1.311  -0.500
   35    HA   VAL   6           HA       VAL   6   1.404  -1.029  -1.904
   36    HB   VAL   6           HB       VAL   6   3.154   0.428   0.097
   37   HG11  VAL   6          HG11      VAL   6   4.977  -0.360  -1.472
   38   HG12  VAL   6          HG12      VAL   6   3.752  -1.404  -2.235
   39   HG13  VAL   6          HG13      VAL   6   4.183  -1.640  -0.524
   40   HG21  VAL   6          HG21      VAL   6   2.119   1.951  -1.571
   41   HG22  VAL   6          HG22      VAL   6   2.786   0.934  -2.871
   42   HG23  VAL   6          HG23      VAL   6   3.881   1.812  -1.777
   43    H    GLY   7           HN       GLY   7   0.979  -0.512   1.563
   44    HA2  GLY   7           HA1      GLY   7   2.229  -2.895   2.485
   45    HA3  GLY   7           HA2      GLY   7   0.957  -2.006   3.307
   46    H    HIS   8           HN       HIS   8  -0.818  -2.343   0.881
   47    HA   HIS   8           HA       HIS   8  -1.832  -5.028   1.698
   48    HB2  HIS   8           HB2      HIS   8  -3.194  -2.795   1.600
   49    HB3  HIS   8           HB1      HIS   8  -3.285  -3.125  -0.138
   50    HD1  HIS   8           HD1      HIS   8  -3.828  -5.166   3.103
   51    HD2  HIS   8           HD2      HIS   8  -5.421  -4.669  -0.762
   52    HE1  HIS   8           HE1      HIS   8  -5.926  -6.592   2.970
   53    H    LEU   9           HN       LEU   9  -0.659  -3.204  -1.098
   54    HA   LEU   9           HA       LEU   9  -1.344  -5.296  -3.012
   55    HB2  LEU   9           HB2      LEU   9   0.641  -3.036  -3.285
   56    HB3  LEU   9           HB1      LEU   9  -0.073  -3.983  -4.596
   57    HG   LEU   9           HG       LEU   9  -1.737  -2.281  -2.743
   58   HD11  LEU   9          HD11      LEU   9  -0.093  -0.806  -3.783
   59   HD12  LEU   9          HD12      LEU   9  -1.695  -0.549  -4.516
   60   HD13  LEU   9          HD13      LEU   9  -0.462  -1.499  -5.380
   61   HD21  LEU   9          HD21      LEU   9  -3.006  -3.926  -3.988
   62   HD22  LEU   9          HD22      LEU   9  -2.175  -3.477  -5.497
   63   HD23  LEU   9          HD23      LEU   9  -3.288  -2.329  -4.716
   64    H    MET  10           HN       MET  10   1.425  -4.474  -1.000
   65    HA   MET  10           HA       MET  10   3.407  -6.009  -2.339
   66    HB2  MET  10           HB2      MET  10   4.544  -6.076  -0.135
   67    HB3  MET  10           HB1      MET  10   4.005  -4.451  -0.595
   68    HG2  MET  10           HG2      MET  10   3.322  -4.499   1.586
   69    HG3  MET  10           HG1      MET  10   1.868  -5.175   0.834
   70    HE1  MET  10           HE1      MET  10   5.029  -7.136   3.467
   71    HE2  MET  10           HE2      MET  10   5.155  -5.641   2.513
   72    HE3  MET  10           HE3      MET  10   5.458  -7.216   1.742
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   1.746   6.677  -5.492
    2    H2   GLY   1           HT2      GLY   1   0.752   8.055  -5.499
    3    H3   GLY   1           HT3      GLY   1   0.659   6.927  -6.767
    4    HA2  GLY   1           HA1      GLY   1  -1.189   6.578  -5.420
    5    HA3  GLY   1           HA2      GLY   1  -0.047   5.246  -5.156
    6    H    ASN   2           HN       ASN   2  -0.337   4.639  -3.106
    7    HA   ASN   2           HA       ASN   2   0.068   6.752  -1.013
    8    HB2  ASN   2           HB2      ASN   2  -2.389   5.964  -1.414
    9    HB3  ASN   2           HB1      ASN   2  -1.879   4.481  -0.587
   10   HD21  ASN   2          HD21      ASN   2  -2.400   4.481   1.520
   11   HD22  ASN   2          HD22      ASN   2  -2.381   5.904   2.567
   12    H    HIS   3           HN       HIS   3   1.611   6.281   0.369
   13    HA   HIS   3           HA       HIS   3   3.202   3.947   0.162
   14    HB2  HIS   3           HB2      HIS   3   2.866   6.109   2.206
   15    HB3  HIS   3           HB1      HIS   3   3.828   4.686   2.642
   16    HD1  HIS   3           HD1      HIS   3   4.498   7.931   1.757
   17    HD2  HIS   3           HD2      HIS   3   5.710   4.229   0.161
   18    HE1  HIS   3           HE1      HIS   3   6.579   8.360   0.362
   19    H    TRP   4           HN       TRP   4   0.316   4.620   2.074
   20    HA   TRP   4           HA       TRP   4   0.603   2.291   3.782
   21    HB2  TRP   4           HB2      TRP   4  -0.831   4.493   4.031
   22    HB3  TRP   4           HB1      TRP   4  -2.070   3.551   3.186
   23    HD1  TRP   4           HD1      TRP   4  -0.555   4.092   6.582
   24    HE1  TRP   4           HE1      TRP   4  -1.578   2.454   8.317
   25    HE3  TRP   4           HE3      TRP   4  -2.974   0.973   3.345
   26    HZ2  TRP   4           HZ2      TRP   4  -3.191   0.161   8.260
   27    HZ3  TRP   4           HZ3      TRP   4  -4.242  -0.930   4.256
   28    HH2  TRP   4           HH2      TRP   4  -4.348  -1.328   6.691
   29    H    ALA   5           HN       ALA   5  -1.140   3.016   0.762
   30    HA   ALA   5           HA       ALA   5  -2.641   0.622   0.592
   31    HB1  ALA   5           HB1      ALA   5  -1.445   2.364  -1.578
   32    HB2  ALA   5           HB2      ALA   5  -3.089   2.454  -0.899
   33    HB3  ALA   5           HB3      ALA   5  -2.605   1.049  -1.881
   34    H    VAL   6           HN       VAL   6   0.745   1.288  -0.148
   35    HA   VAL   6           HA       VAL   6   1.348  -0.999  -1.678
   36    HB   VAL   6           HB       VAL   6   3.117   0.306   0.406
   37   HG11  VAL   6          HG11      VAL   6   4.944  -0.502  -1.146
   38   HG12  VAL   6          HG12      VAL   6   3.700  -1.470  -1.974
   39   HG13  VAL   6          HG13      VAL   6   4.078  -1.780  -0.262
   40   HG21  VAL   6          HG21      VAL   6   2.084   1.830  -1.366
   41   HG22  VAL   6          HG22      VAL   6   3.026   0.909  -2.555
   42   HG23  VAL   6          HG23      VAL   6   3.857   1.819  -1.270
   43    H    GLY   7           HN       GLY   7   0.668  -0.683   1.731
   44    HA2  GLY   7           HA1      GLY   7   1.923  -3.062   2.655
   45    HA3  GLY   7           HA2      GLY   7   0.512  -2.281   3.393
   46    H    HIS   8           HN       HIS   8  -0.912  -2.597   0.700
   47    HA   HIS   8           HA       HIS   8  -1.969  -5.297   1.317
   48    HB2  HIS   8           HB2      HIS   8  -2.855  -2.985  -0.385
   49    HB3  HIS   8           HB1      HIS   8  -3.572  -4.589  -0.619
   50    HD1  HIS   8           HD1      HIS   8  -5.739  -2.964   0.135
   51    HD2  HIS   8           HD2      HIS   8  -2.905  -3.987   3.076
   52    HE1  HIS   8           HE1      HIS   8  -6.880  -2.716   2.392
   53    H    LEU   9           HN       LEU   9  -0.360  -3.547  -1.335
   54    HA   LEU   9           HA       LEU   9  -0.528  -5.572  -3.307
   55    HB2  LEU   9           HB2      LEU   9   1.719  -3.629  -2.801
   56    HB3  LEU   9           HB1      LEU   9   1.453  -4.514  -4.305
   57    HG   LEU   9           HG       LEU   9  -0.565  -2.571  -3.172
   58   HD11  LEU   9          HD11      LEU   9   0.370  -0.804  -4.355
   59   HD12  LEU   9          HD12      LEU   9   1.267  -1.877  -5.452
   60   HD13  LEU   9          HD13      LEU   9   1.838  -1.631  -3.796
   61   HD21  LEU   9          HD21      LEU   9  -1.246  -2.520  -5.623
   62   HD22  LEU   9          HD22      LEU   9  -1.560  -4.044  -4.767
   63   HD23  LEU   9          HD23      LEU   9  -0.163  -3.910  -5.861
   64    H    MET  10           HN       MET  10   2.111  -4.930  -0.964
   65    HA   MET  10           HA       MET  10   3.767  -7.088  -1.688
   66    HB2  MET  10           HB2      MET  10   4.646  -6.950   0.630
   67    HB3  MET  10           HB1      MET  10   4.527  -5.373  -0.172
   68    HG2  MET  10           HG2      MET  10   3.623  -4.824   1.871
   69    HG3  MET  10           HG1      MET  10   2.147  -5.378   1.058
   70    HE1  MET  10           HE1      MET  10   2.811  -5.256   4.395
   71    HE2  MET  10           HE2      MET  10   3.582  -6.746   4.990
   72    HE3  MET  10           HE3      MET  10   4.484  -5.640   3.927
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  -1.435   7.107  -5.691
    2    H2   GLY   1           HT2      GLY   1  -1.315   5.836  -6.813
    3    H3   GLY   1           HT3      GLY   1   0.087   6.612  -6.248
    4    HA2  GLY   1           HA1      GLY   1  -1.784   4.999  -4.646
    5    HA3  GLY   1           HA2      GLY   1  -0.192   4.480  -5.229
    6    H    ASN   2           HN       ASN   2  -0.634   4.273  -2.594
    7    HA   ASN   2           HA       ASN   2   1.179   6.385  -1.516
    8    HB2  ASN   2           HB2      ASN   2  -1.172   7.068  -1.020
    9    HB3  ASN   2           HB1      ASN   2  -1.391   5.544  -0.136
   10   HD21  ASN   2          HD21      ASN   2  -1.009   5.579   2.008
   11   HD22  ASN   2          HD22      ASN   2  -0.024   6.792   2.833
   12    H    HIS   3           HN       HIS   3   2.141   5.801   0.548
   13    HA   HIS   3           HA       HIS   3   3.288   3.238   0.523
   14    HB2  HIS   3           HB2      HIS   3   4.274   5.024   1.788
   15    HB3  HIS   3           HB1      HIS   3   2.837   5.157   2.817
   16    HD1  HIS   3           HD1      HIS   3   3.314   4.279   5.087
   17    HD2  HIS   3           HD2      HIS   3   5.396   2.197   2.080
   18    HE1  HIS   3           HE1      HIS   3   4.570   2.384   6.224
   19    H    TRP   4           HN       TRP   4   0.509   4.406   2.462
   20    HA   TRP   4           HA       TRP   4   0.041   1.994   3.869
   21    HB2  TRP   4           HB2      TRP   4  -1.030   4.401   4.017
   22    HB3  TRP   4           HB1      TRP   4  -2.267   3.706   2.958
   23    HD1  TRP   4           HD1      TRP   4  -1.203   3.895   6.559
   24    HE1  TRP   4           HE1      TRP   4  -2.734   2.417   8.047
   25    HE3  TRP   4           HE3      TRP   4  -3.609   1.323   2.860
   26    HZ2  TRP   4           HZ2      TRP   4  -4.681   0.442   7.649
   27    HZ3  TRP   4           HZ3      TRP   4  -5.299  -0.354   3.488
   28    HH2  TRP   4           HH2      TRP   4  -5.828  -0.787   5.861
   29    H    ALA   5           HN       ALA   5  -0.928   3.020   0.621
   30    HA   ALA   5           HA       ALA   5  -2.720   0.771   0.205
   31    HB1  ALA   5           HB1      ALA   5  -3.044   2.807  -1.056
   32    HB2  ALA   5           HB2      ALA   5  -2.629   1.491  -2.182
   33    HB3  ALA   5           HB3      ALA   5  -1.400   2.697  -1.727
   34    H    VAL   6           HN       VAL   6   0.712   1.313  -0.091
   35    HA   VAL   6           HA       VAL   6   1.185  -0.932  -1.875
   36    HB   VAL   6           HB       VAL   6   3.112   0.554  -0.088
   37   HG11  VAL   6          HG11      VAL   6   3.499  -1.444  -2.324
   38   HG12  VAL   6          HG12      VAL   6   4.105  -1.513  -0.654
   39   HG13  VAL   6          HG13      VAL   6   4.789  -0.337  -1.795
   40   HG21  VAL   6          HG21      VAL   6   3.447   2.089  -1.778
   41   HG22  VAL   6          HG22      VAL   6   1.741   1.709  -2.087
   42   HG23  VAL   6          HG23      VAL   6   3.002   0.937  -3.057
   43    H    GLY   7           HN       GLY   7   0.839  -0.464   1.563
   44    HA2  GLY   7           HA1      GLY   7   2.291  -2.737   2.475
   45    HA3  GLY   7           HA2      GLY   7   0.934  -1.965   3.316
   46    H    HIS   8           HN       HIS   8  -0.921  -2.423   1.056
   47    HA   HIS   8           HA       HIS   8  -1.547  -5.240   1.743
   48    HB2  HIS   8           HB2      HIS   8  -3.191  -3.255   1.857
   49    HB3  HIS   8           HB1      HIS   8  -3.261  -3.386   0.091
   50    HD1  HIS   8           HD1      HIS   8  -5.848  -3.976   0.423
   51    HD2  HIS   8           HD2      HIS   8  -3.184  -6.670   2.220
   52    HE1  HIS   8           HE1      HIS   8  -7.120  -6.135   0.853
   53    H    LEU   9           HN       LEU   9  -0.458  -3.255  -0.910
   54    HA   LEU   9           HA       LEU   9  -1.093  -5.249  -2.963
   55    HB2  LEU   9           HB2      LEU   9   0.527  -2.720  -2.945
   56    HB3  LEU   9           HB1      LEU   9   0.411  -3.742  -4.366
   57    HG   LEU   9           HG       LEU   9  -1.991  -2.527  -2.998
   58   HD11  LEU   9          HD11      LEU   9  -0.463  -1.502  -5.412
   59   HD12  LEU   9          HD12      LEU   9  -0.478  -0.747  -3.801
   60   HD13  LEU   9          HD13      LEU   9  -1.974  -0.822  -4.764
   61   HD21  LEU   9          HD21      LEU   9  -2.705  -4.341  -4.336
   62   HD22  LEU   9          HD22      LEU   9  -1.508  -3.990  -5.604
   63   HD23  LEU   9          HD23      LEU   9  -2.911  -2.924  -5.381
   64    H    MET  10           HN       MET  10   1.581  -4.488  -0.837
   65    HA   MET  10           HA       MET  10   3.527  -6.059  -2.359
   66    HB2  MET  10           HB2      MET  10   3.467  -4.579   0.239
   67    HB3  MET  10           HB1      MET  10   4.702  -5.837   0.046
   68    HG2  MET  10           HG2      MET  10   4.317  -3.665  -2.006
   69    HG3  MET  10           HG1      MET  10   5.356  -3.451  -0.582
   70    HE1  MET  10           HE1      MET  10   7.936  -3.917  -3.458
   71    HE2  MET  10           HE2      MET  10   6.961  -2.764  -2.516
   72    HE3  MET  10           HE3      MET  10   6.284  -3.513  -3.982
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   4.387   9.754   1.320
    2    H2   GLY   1           HT2      GLY   1   5.168  10.485   0.000
    3    H3   GLY   1           HT3      GLY   1   5.132   8.792   0.140
    4    HA2  GLY   1           HA1      GLY   1   2.733  10.467  -0.132
    5    HA3  GLY   1           HA2      GLY   1   3.588   9.744  -1.507
    6    H    ASN   2           HN       ASN   2   2.128   8.291  -2.221
    7    HA   ASN   2           HA       ASN   2   0.419   6.724  -0.586
    8    HB2  ASN   2           HB2      ASN   2   0.376   7.127  -3.129
    9    HB3  ASN   2           HB1      ASN   2   1.521   5.777  -3.239
   10   HD21  ASN   2          HD21      ASN   2   0.280   4.201  -4.178
   11   HD22  ASN   2          HD22      ASN   2  -1.216   3.587  -3.466
   12    H    HIS   3           HN       HIS   3   1.071   5.451   1.018
   13    HA   HIS   3           HA       HIS   3   3.187   3.413   0.381
   14    HB2  HIS   3           HB2      HIS   3   4.021   5.353   1.803
   15    HB3  HIS   3           HB1      HIS   3   2.920   4.771   3.063
   16    HD1  HIS   3           HD1      HIS   3   3.679   2.841   4.513
   17    HD2  HIS   3           HD2      HIS   3   6.206   3.623   1.240
   18    HE1  HIS   3           HE1      HIS   3   5.712   1.335   4.761
   19    H    TRP   4           HN       TRP   4   0.484   4.398   2.499
   20    HA   TRP   4           HA       TRP   4   0.117   1.963   3.855
   21    HB2  TRP   4           HB2      TRP   4  -1.105   4.295   3.994
   22    HB3  TRP   4           HB1      TRP   4  -2.279   3.534   2.907
   23    HD1  TRP   4           HD1      TRP   4  -1.311   3.772   6.530
   24    HE1  TRP   4           HE1      TRP   4  -2.774   2.192   7.980
   25    HE3  TRP   4           HE3      TRP   4  -3.455   1.062   2.771
   26    HZ2  TRP   4           HZ2      TRP   4  -4.579   0.095   7.531
   27    HZ3  TRP   4           HZ3      TRP   4  -5.046  -0.721   3.355
   28    HH2  TRP   4           HH2      TRP   4  -5.602  -1.198   5.714
   29    H    ALA   5           HN       ALA   5  -1.087   2.977   0.655
   30    HA   ALA   5           HA       ALA   5  -2.714   0.682   0.178
   31    HB1  ALA   5           HB1      ALA   5  -2.632   1.330  -2.162
   32    HB2  ALA   5           HB2      ALA   5  -1.216   2.364  -1.853
   33    HB3  ALA   5           HB3      ALA   5  -2.794   2.780  -1.144
   34    H    VAL   6           HN       VAL   6   0.739   1.309  -0.379
   35    HA   VAL   6           HA       VAL   6   1.273  -1.053  -1.888
   36    HB   VAL   6           HB       VAL   6   3.147   0.428  -0.039
   37   HG11  VAL   6          HG11      VAL   6   3.589  -1.524  -2.306
   38   HG12  VAL   6          HG12      VAL   6   4.104  -1.688  -0.611
   39   HG13  VAL   6          HG13      VAL   6   4.872  -0.475  -1.662
   40   HG21  VAL   6          HG21      VAL   6   3.806   1.722  -1.990
   41   HG22  VAL   6          HG22      VAL   6   2.050   1.885  -1.739
   42   HG23  VAL   6          HG23      VAL   6   2.671   0.805  -3.011
   43    H    GLY   7           HN       GLY   7   0.970  -0.438   1.565
   44    HA2  GLY   7           HA1      GLY   7   2.267  -2.768   2.533
   45    HA3  GLY   7           HA2      GLY   7   0.957  -1.897   3.355
   46    H    HIS   8           HN       HIS   8  -0.774  -2.396   0.883
   47    HA   HIS   8           HA       HIS   8  -1.538  -5.203   1.651
   48    HB2  HIS   8           HB2      HIS   8  -3.118  -2.816   0.710
   49    HB3  HIS   8           HB1      HIS   8  -3.771  -4.461   0.580
   50    HD1  HIS   8           HD1      HIS   8  -1.717  -3.049   3.497
   51    HD2  HIS   8           HD2      HIS   8  -5.540  -4.580   2.630
   52    HE1  HIS   8           HE1      HIS   8  -3.006  -3.122   5.684
   53    H    LEU   9           HN       LEU   9  -0.752  -3.022  -1.002
   54    HA   LEU   9           HA       LEU   9  -1.516  -4.959  -3.063
   55    HB2  LEU   9           HB2      LEU   9   0.031  -2.378  -3.141
   56    HB3  LEU   9           HB1      LEU   9  -0.314  -3.337  -4.570
   57    HG   LEU   9           HG       LEU   9  -2.483  -2.260  -2.771
   58   HD11  LEU   9          HD11      LEU   9  -1.157  -0.364  -3.590
   59   HD12  LEU   9          HD12      LEU   9  -2.744  -0.420  -4.394
   60   HD13  LEU   9          HD13      LEU   9  -1.291  -0.985  -5.253
   61   HD21  LEU   9          HD21      LEU   9  -3.304  -4.003  -4.178
   62   HD22  LEU   9          HD22      LEU   9  -2.382  -3.402  -5.576
   63   HD23  LEU   9          HD23      LEU   9  -3.773  -2.482  -4.962
   64    H    MET  10           HN       MET  10   1.625  -3.475  -2.151
   65    HA   MET  10           HA       MET  10   3.775  -4.311  -2.299
   66    HB2  MET  10           HB2      MET  10   2.499  -7.041  -2.001
   67    HB3  MET  10           HB1      MET  10   4.156  -6.569  -1.582
   68    HG2  MET  10           HG2      MET  10   3.152  -4.985   0.106
   69    HG3  MET  10           HG1      MET  10   1.583  -5.747  -0.215
   70    HE1  MET  10           HE1      MET  10   5.382  -6.687   0.653
   71    HE2  MET  10           HE2      MET  10   5.074  -7.345   2.277
   72    HE3  MET  10           HE3      MET  10   4.638  -5.662   1.903
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   1.351   9.922   2.150
    2    H2   GLY   1           HT2      GLY   1   1.595  11.431   1.409
    3    H3   GLY   1           HT3      GLY   1   2.923  10.523   1.955
    4    HA2  GLY   1           HA1      GLY   1   1.836  10.555  -0.542
    5    HA3  GLY   1           HA2      GLY   1   3.079   9.459   0.089
    6    H    ASN   2           HN       ASN   2   2.352   7.755  -1.223
    7    HA   ASN   2           HA       ASN   2  -0.262   6.567  -0.304
    8    HB2  ASN   2           HB2      ASN   2  -0.142   7.438  -2.704
    9    HB3  ASN   2           HB1      ASN   2   1.002   6.117  -3.013
   10   HD21  ASN   2          HD21      ASN   2  -0.312   4.968  -4.442
   11   HD22  ASN   2          HD22      ASN   2  -1.799   4.173  -3.912
   12    H    HIS   3           HN       HIS   3   1.755   5.972   1.285
   13    HA   HIS   3           HA       HIS   3   3.128   3.544   0.282
   14    HB2  HIS   3           HB2      HIS   3   4.024   5.440   1.888
   15    HB3  HIS   3           HB1      HIS   3   3.250   4.462   3.145
   16    HD1  HIS   3           HD1      HIS   3   6.370   4.869   1.323
   17    HD2  HIS   3           HD2      HIS   3   4.206   1.575   2.799
   18    HE1  HIS   3           HE1      HIS   3   8.018   2.955   1.595
   19    H    TRP   4           HN       TRP   4   0.457   4.493   2.373
   20    HA   TRP   4           HA       TRP   4   0.113   2.109   3.839
   21    HB2  TRP   4           HB2      TRP   4  -1.156   4.400   3.879
   22    HB3  TRP   4           HB1      TRP   4  -2.262   3.615   2.739
   23    HD1  TRP   4           HD1      TRP   4  -1.576   3.969   6.394
   24    HE1  TRP   4           HE1      TRP   4  -3.073   2.366   7.787
   25    HE3  TRP   4           HE3      TRP   4  -3.317   1.041   2.583
   26    HZ2  TRP   4           HZ2      TRP   4  -4.739   0.172   7.278
   27    HZ3  TRP   4           HZ3      TRP   4  -4.851  -0.797   3.111
   28    HH2  TRP   4           HH2      TRP   4  -5.561  -1.223   5.438
   29    H    ALA   5           HN       ALA   5  -1.218   2.996   0.631
   30    HA   ALA   5           HA       ALA   5  -2.666   0.626   0.223
   31    HB1  ALA   5           HB1      ALA   5  -1.325   1.834  -2.167
   32    HB2  ALA   5           HB2      ALA   5  -2.334   2.900  -1.173
   33    HB3  ALA   5           HB3      ALA   5  -3.043   1.443  -1.892
   34    H    VAL   6           HN       VAL   6   0.724   1.379  -0.517
   35    HA   VAL   6           HA       VAL   6   1.397  -0.966  -1.909
   36    HB   VAL   6           HB       VAL   6   3.147   0.535   0.026
   37   HG11  VAL   6          HG11      VAL   6   4.991  -0.335  -1.336
   38   HG12  VAL   6          HG12      VAL   6   3.830  -1.244  -2.319
   39   HG13  VAL   6          HG13      VAL   6   4.076  -1.669  -0.606
   40   HG21  VAL   6          HG21      VAL   6   2.673   0.920  -2.944
   41   HG22  VAL   6          HG22      VAL   6   3.904   1.772  -1.982
   42   HG23  VAL   6          HG23      VAL   6   2.176   2.034  -1.647
   43    H    GLY   7           HN       GLY   7   0.741  -0.469   1.481
   44    HA2  GLY   7           HA1      GLY   7   2.129  -2.661   2.598
   45    HA3  GLY   7           HA2      GLY   7   0.619  -1.979   3.229
   46    H    HIS   8           HN       HIS   8  -1.269  -2.555   1.439
   47    HA   HIS   8           HA       HIS   8  -1.444  -5.495   1.687
   48    HB2  HIS   8           HB2      HIS   8  -3.750  -5.237   1.163
   49    HB3  HIS   8           HB1      HIS   8  -3.324  -3.913   2.260
   50    HD1  HIS   8           HD1      HIS   8  -3.160  -1.477   1.233
   51    HD2  HIS   8           HD2      HIS   8  -4.794  -4.462  -1.242
   52    HE1  HIS   8           HE1      HIS   8  -4.303  -0.312  -0.731
   53    H    LEU   9           HN       LEU   9  -1.061  -3.032  -0.807
   54    HA   LEU   9           HA       LEU   9  -1.663  -4.697  -3.059
   55    HB2  LEU   9           HB2      LEU   9   0.152  -2.324  -2.797
   56    HB3  LEU   9           HB1      LEU   9  -0.293  -3.035  -4.329
   57    HG   LEU   9           HG       LEU   9  -2.346  -1.948  -2.408
   58   HD11  LEU   9          HD11      LEU   9  -0.659  -0.180  -3.063
   59   HD12  LEU   9          HD12      LEU   9  -2.319   0.145  -3.601
   60   HD13  LEU   9          HD13      LEU   9  -1.122  -0.478  -4.746
   61   HD21  LEU   9          HD21      LEU   9  -2.330  -2.657  -5.349
   62   HD22  LEU   9          HD22      LEU   9  -3.629  -1.722  -4.575
   63   HD23  LEU   9          HD23      LEU   9  -3.307  -3.389  -4.056
   64    H    MET  10           HN       MET  10   1.503  -3.756  -1.645
   65    HA   MET  10           HA       MET  10   2.691  -6.156  -3.018
   66    HB2  MET  10           HB2      MET  10   3.842  -3.504  -2.183
   67    HB3  MET  10           HB1      MET  10   4.875  -4.898  -2.521
   68    HG2  MET  10           HG2      MET  10   2.839  -4.098  -4.563
   69    HG3  MET  10           HG1      MET  10   4.335  -3.151  -4.421
   70    HE1  MET  10           HE1      MET  10   4.402  -3.616  -6.790
   71    HE2  MET  10           HE2      MET  10   3.703  -5.156  -7.347
   72    HE3  MET  10           HE3      MET  10   5.460  -4.891  -7.443
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   2.607  11.571  -2.909
    2    H2   GLY   1           HT2      GLY   1   1.105  10.841  -2.587
    3    H3   GLY   1           HT3      GLY   1   2.154  10.163  -3.739
    4    HA2  GLY   1           HA1      GLY   1   3.657   9.460  -2.167
    5    HA3  GLY   1           HA2      GLY   1   2.911  10.485  -0.926
    6    H    ASN   2           HN       ASN   2   3.013   7.401  -2.401
    7    HA   ASN   2           HA       ASN   2   0.596   6.561  -0.804
    8    HB2  ASN   2           HB2      ASN   2   1.563   5.732  -3.531
    9    HB3  ASN   2           HB1      ASN   2   0.574   4.630  -2.551
   10   HD21  ASN   2          HD21      ASN   2  -1.397   4.622  -3.492
   11   HD22  ASN   2          HD22      ASN   2  -2.329   6.079  -3.850
   12    H    HIS   3           HN       HIS   3   1.074   5.359   0.868
   13    HA   HIS   3           HA       HIS   3   3.390   3.454   0.629
   14    HB2  HIS   3           HB2      HIS   3   3.932   5.548   1.961
   15    HB3  HIS   3           HB1      HIS   3   2.716   5.006   3.132
   16    HD1  HIS   3           HD1      HIS   3   3.478   3.433   4.928
   17    HD2  HIS   3           HD2      HIS   3   6.012   3.421   1.568
   18    HE1  HIS   3           HE1      HIS   3   5.523   2.052   5.536
   19    H    TRP   4           HN       TRP   4   0.420   4.369   2.400
   20    HA   TRP   4           HA       TRP   4   0.131   1.905   3.797
   21    HB2  TRP   4           HB2      TRP   4  -1.129   4.205   3.977
   22    HB3  TRP   4           HB1      TRP   4  -2.267   3.466   2.838
   23    HD1  TRP   4           HD1      TRP   4  -1.439   3.642   6.486
   24    HE1  TRP   4           HE1      TRP   4  -2.902   1.984   7.850
   25    HE3  TRP   4           HE3      TRP   4  -3.355   0.932   2.600
   26    HZ2  TRP   4           HZ2      TRP   4  -4.615  -0.162   7.296
   27    HZ3  TRP   4           HZ3      TRP   4  -4.897  -0.915   3.092
   28    HH2  TRP   4           HH2      TRP   4  -5.523  -1.453   5.419
   29    H    ALA   5           HN       ALA   5  -1.323   3.006   0.706
   30    HA   ALA   5           HA       ALA   5  -2.770   0.646   0.148
   31    HB1  ALA   5           HB1      ALA   5  -3.138   2.641  -1.143
   32    HB2  ALA   5           HB2      ALA   5  -2.579   1.364  -2.251
   33    HB3  ALA   5           HB3      ALA   5  -1.455   2.637  -1.720
   34    H    VAL   6           HN       VAL   6   0.653   1.357  -0.174
   35    HA   VAL   6           HA       VAL   6   1.257  -0.890  -1.885
   36    HB   VAL   6           HB       VAL   6   3.079   0.624  -0.006
   37   HG11  VAL   6          HG11      VAL   6   3.610  -1.286  -2.285
   38   HG12  VAL   6          HG12      VAL   6   4.134  -1.430  -0.590
   39   HG13  VAL   6          HG13      VAL   6   4.844  -0.179  -1.637
   40   HG21  VAL   6          HG21      VAL   6   1.958   2.081  -1.668
   41   HG22  VAL   6          HG22      VAL   6   2.562   1.026  -2.967
   42   HG23  VAL   6          HG23      VAL   6   3.708   1.947  -1.964
   43    H    GLY   7           HN       GLY   7   0.814  -0.458   1.550
   44    HA2  GLY   7           HA1      GLY   7   2.257  -2.776   2.419
   45    HA3  GLY   7           HA2      GLY   7   0.947  -1.966   3.298
   46    H    HIS   8           HN       HIS   8  -0.942  -2.345   1.024
   47    HA   HIS   8           HA       HIS   8  -1.873  -5.001   1.845
   48    HB2  HIS   8           HB2      HIS   8  -3.322  -2.952   1.408
   49    HB3  HIS   8           HB1      HIS   8  -3.035  -3.237  -0.317
   50    HD1  HIS   8           HD1      HIS   8  -3.865  -5.646  -1.266
   51    HD2  HIS   8           HD2      HIS   8  -5.205  -4.587   2.580
   52    HE1  HIS   8           HE1      HIS   8  -5.901  -7.081  -0.763
   53    H    LEU   9           HN       LEU   9  -0.505  -3.487  -1.066
   54    HA   LEU   9           HA       LEU   9  -0.919  -5.708  -2.823
   55    HB2  LEU   9           HB2      LEU   9   1.205  -3.573  -2.815
   56    HB3  LEU   9           HB1      LEU   9   0.915  -4.681  -4.158
   57    HG   LEU   9           HG       LEU   9  -1.240  -2.842  -3.122
   58   HD11  LEU   9          HD11      LEU   9  -0.587  -1.113  -4.536
   59   HD12  LEU   9          HD12      LEU   9   0.424  -2.178  -5.538
   60   HD13  LEU   9          HD13      LEU   9   0.985  -1.674  -3.943
   61   HD21  LEU   9          HD21      LEU   9  -2.036  -3.124  -5.505
   62   HD22  LEU   9          HD22      LEU   9  -2.078  -4.606  -4.526
   63   HD23  LEU   9          HD23      LEU   9  -0.773  -4.357  -5.711
   64    H    MET  10           HN       MET  10   2.052  -4.673  -1.086
   65    HA   MET  10           HA       MET  10   3.616  -6.923  -1.785
   66    HB2  MET  10           HB2      MET  10   4.959  -6.368   0.229
   67    HB3  MET  10           HB1      MET  10   4.610  -4.960  -0.793
   68    HG2  MET  10           HG2      MET  10   4.134  -4.053   1.265
   69    HG3  MET  10           HG1      MET  10   2.545  -4.749   0.898
   70    HE1  MET  10           HE1      MET  10   4.361  -4.012   3.756
   71    HE2  MET  10           HE2      MET  10   5.753  -4.884   3.071
   72    HE3  MET  10           HE3      MET  10   4.970  -5.482   4.552
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   1.580  11.959  -0.489
    2    H2   GLY   1           HT2      GLY   1   0.273  10.892  -0.288
    3    H3   GLY   1           HT3      GLY   1   1.016  11.054  -1.807
    4    HA2  GLY   1           HA1      GLY   1   2.831   9.878  -1.244
    5    HA3  GLY   1           HA2      GLY   1   2.617  10.237   0.480
    6    H    ASN   2           HN       ASN   2   1.700   8.191  -2.211
    7    HA   ASN   2           HA       ASN   2  -0.179   6.611  -0.566
    8    HB2  ASN   2           HB2      ASN   2   0.734   6.635  -3.414
    9    HB3  ASN   2           HB1      ASN   2   0.083   5.112  -2.776
   10   HD21  ASN   2          HD21      ASN   2  -2.108   5.067  -1.957
   11   HD22  ASN   2          HD22      ASN   2  -3.271   6.271  -2.520
   12    H    HIS   3           HN       HIS   3   1.016   5.770   1.116
   13    HA   HIS   3           HA       HIS   3   3.117   3.775   0.288
   14    HB2  HIS   3           HB2      HIS   3   3.664   5.906   1.760
   15    HB3  HIS   3           HB1      HIS   3   3.012   4.907   3.068
   16    HD1  HIS   3           HD1      HIS   3   6.136   5.858   1.918
   17    HD2  HIS   3           HD2      HIS   3   4.384   2.118   2.729
   18    HE1  HIS   3           HE1      HIS   3   8.032   4.186   2.178
   19    H    TRP   4           HN       TRP   4   0.288   4.493   2.273
   20    HA   TRP   4           HA       TRP   4   0.288   2.075   3.797
   21    HB2  TRP   4           HB2      TRP   4  -1.132   4.246   4.026
   22    HB3  TRP   4           HB1      TRP   4  -2.248   3.455   2.900
   23    HD1  TRP   4           HD1      TRP   4  -1.407   3.663   6.530
   24    HE1  TRP   4           HE1      TRP   4  -2.729   1.897   7.899
   25    HE3  TRP   4           HE3      TRP   4  -3.146   0.825   2.650
   26    HZ2  TRP   4           HZ2      TRP   4  -4.275  -0.374   7.349
   27    HZ3  TRP   4           HZ3      TRP   4  -4.526  -1.135   3.144
   28    HH2  TRP   4           HH2      TRP   4  -5.095  -1.726   5.473
   29    H    ALA   5           HN       ALA   5  -1.229   2.919   0.671
   30    HA   ALA   5           HA       ALA   5  -2.629   0.501   0.264
   31    HB1  ALA   5           HB1      ALA   5  -3.006   2.401  -1.165
   32    HB2  ALA   5           HB2      ALA   5  -2.429   1.052  -2.174
   33    HB3  ALA   5           HB3      ALA   5  -1.319   2.371  -1.728
   34    H    VAL   6           HN       VAL   6   0.777   1.310  -0.291
   35    HA   VAL   6           HA       VAL   6   1.525  -0.936  -1.834
   36    HB   VAL   6           HB       VAL   6   3.142   0.464   0.314
   37   HG11  VAL   6          HG11      VAL   6   4.241  -1.580  -0.183
   38   HG12  VAL   6          HG12      VAL   6   5.077  -0.328  -1.132
   39   HG13  VAL   6          HG13      VAL   6   3.905  -1.412  -1.922
   40   HG21  VAL   6          HG21      VAL   6   2.200   1.933  -1.500
   41   HG22  VAL   6          HG22      VAL   6   3.101   0.946  -2.676
   42   HG23  VAL   6          HG23      VAL   6   3.979   1.885  -1.443
   43    H    GLY   7           HN       GLY   7   1.027  -0.608   1.665
   44    HA2  GLY   7           HA1      GLY   7   2.219  -3.052   2.461
   45    HA3  GLY   7           HA2      GLY   7   0.901  -2.224   3.310
   46    H    HIS   8           HN       HIS   8  -1.056  -2.356   1.249
   47    HA   HIS   8           HA       HIS   8  -1.913  -5.134   1.668
   48    HB2  HIS   8           HB2      HIS   8  -3.314  -2.922   1.691
   49    HB3  HIS   8           HB1      HIS   8  -3.382  -3.155  -0.064
   50    HD1  HIS   8           HD1      HIS   8  -5.893  -3.299   1.882
   51    HD2  HIS   8           HD2      HIS   8  -3.758  -6.525   0.222
   52    HE1  HIS   8           HE1      HIS   8  -7.417  -5.331   1.971
   53    H    LEU   9           HN       LEU   9  -1.620  -3.033  -1.233
   54    HA   LEU   9           HA       LEU   9  -1.925  -5.051  -3.162
   55    HB2  LEU   9           HB2      LEU   9  -0.175  -2.589  -3.255
   56    HB3  LEU   9           HB1      LEU   9  -0.612  -3.566  -4.661
   57    HG   LEU   9           HG       LEU   9  -2.670  -2.213  -2.911
   58   HD11  LEU   9          HD11      LEU   9  -1.356  -1.148  -5.429
   59   HD12  LEU   9          HD12      LEU   9  -1.154  -0.492  -3.787
   60   HD13  LEU   9          HD13      LEU   9  -2.741  -0.408  -4.591
   61   HD21  LEU   9          HD21      LEU   9  -3.644  -3.925  -4.272
   62   HD22  LEU   9          HD22      LEU   9  -2.685  -3.429  -5.687
   63   HD23  LEU   9          HD23      LEU   9  -3.987  -2.382  -5.081
   64    H    MET  10           HN       MET  10   1.244  -3.637  -2.240
   65    HA   MET  10           HA       MET  10   2.685  -5.886  -3.366
   66    HB2  MET  10           HB2      MET  10   3.512  -3.490  -3.103
   67    HB3  MET  10           HB1      MET  10   3.748  -3.864  -1.388
   68    HG2  MET  10           HG2      MET  10   5.128  -5.887  -2.267
   69    HG3  MET  10           HG1      MET  10   5.208  -4.947  -3.773
   70    HE1  MET  10           HE1      MET  10   7.945  -5.593  -2.741
   71    HE2  MET  10           HE2      MET  10   8.725  -3.994  -2.672
   72    HE3  MET  10           HE3      MET  10   7.622  -4.390  -4.012
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   2.544   3.221  -5.678
    2    H2   GLY   1           HT2      GLY   1   2.888   4.856  -5.371
    3    H3   GLY   1           HT3      GLY   1   2.018   4.413  -6.762
    4    HA2  GLY   1           HA1      GLY   1   0.304   5.040  -5.523
    5    HA3  GLY   1           HA2      GLY   1   0.443   3.351  -5.004
    6    H    ASN   2           HN       ASN   2  -0.841   4.837  -3.285
    7    HA   ASN   2           HA       ASN   2   0.616   6.416  -1.452
    8    HB2  ASN   2           HB2      ASN   2  -1.915   5.962  -1.615
    9    HB3  ASN   2           HB1      ASN   2  -1.599   4.535  -0.611
   10   HD21  ASN   2          HD21      ASN   2  -1.955   4.848   1.503
   11   HD22  ASN   2          HD22      ASN   2  -1.710   6.378   2.353
   12    H    HIS   3           HN       HIS   3   1.893   6.053   0.275
   13    HA   HIS   3           HA       HIS   3   3.427   3.687   0.427
   14    HB2  HIS   3           HB2      HIS   3   2.877   5.934   2.349
   15    HB3  HIS   3           HB1      HIS   3   3.863   4.553   2.864
   16    HD1  HIS   3           HD1      HIS   3   4.118   7.825   1.328
   17    HD2  HIS   3           HD2      HIS   3   6.045   4.128   0.760
   18    HE1  HIS   3           HE1      HIS   3   6.358   8.312   0.231
   19    H    TRP   4           HN       TRP   4   0.377   4.545   1.993
   20    HA   TRP   4           HA       TRP   4   0.437   2.237   3.785
   21    HB2  TRP   4           HB2      TRP   4  -0.816   4.539   3.995
   22    HB3  TRP   4           HB1      TRP   4  -2.085   3.729   3.060
   23    HD1  TRP   4           HD1      TRP   4  -0.753   4.090   6.551
   24    HE1  TRP   4           HE1      TRP   4  -2.016   2.521   8.188
   25    HE3  TRP   4           HE3      TRP   4  -3.206   1.220   3.112
   26    HZ2  TRP   4           HZ2      TRP   4  -3.803   0.370   7.988
   27    HZ3  TRP   4           HZ3      TRP   4  -4.678  -0.582   3.906
   28    HH2  TRP   4           HH2      TRP   4  -4.972  -1.001   6.323
   29    H    ALA   5           HN       ALA   5  -1.143   3.091   0.705
   30    HA   ALA   5           HA       ALA   5  -2.765   0.757   0.506
   31    HB1  ALA   5           HB1      ALA   5  -3.097   2.725  -0.907
   32    HB2  ALA   5           HB2      ALA   5  -2.856   1.270  -1.902
   33    HB3  ALA   5           HB3      ALA   5  -1.528   2.437  -1.696
   34    H    VAL   6           HN       VAL   6   0.644   1.309  -0.113
   35    HA   VAL   6           HA       VAL   6   1.109  -1.005  -1.735
   36    HB   VAL   6           HB       VAL   6   3.017   0.371   0.171
   37   HG11  VAL   6          HG11      VAL   6   3.939  -1.732  -0.451
   38   HG12  VAL   6          HG12      VAL   6   4.732  -0.516  -1.481
   39   HG13  VAL   6          HG13      VAL   6   3.428  -1.533  -2.144
   40   HG21  VAL   6          HG21      VAL   6   3.295   0.953  -2.701
   41   HG22  VAL   6          HG22      VAL   6   3.247   2.066  -1.316
   42   HG23  VAL   6          HG23      VAL   6   1.735   1.485  -2.048
   43    H    GLY   7           HN       GLY   7   0.627  -0.563   1.685
   44    HA2  GLY   7           HA1      GLY   7   1.951  -2.803   2.732
   45    HA3  GLY   7           HA2      GLY   7   0.451  -2.127   3.371
   46    H    HIS   8           HN       HIS   8  -0.947  -2.648   0.770
   47    HA   HIS   8           HA       HIS   8  -1.654  -5.464   1.406
   48    HB2  HIS   8           HB2      HIS   8  -2.927  -3.188  -0.057
   49    HB3  HIS   8           HB1      HIS   8  -3.400  -4.830  -0.526
   50    HD1  HIS   8           HD1      HIS   8  -2.940  -2.935   2.811
   51    HD2  HIS   8           HD2      HIS   8  -5.436  -5.777   0.965
   52    HE1  HIS   8           HE1      HIS   8  -4.854  -3.404   4.418
   53    H    LEU   9           HN       LEU   9  -0.027  -3.562  -1.039
   54    HA   LEU   9           HA       LEU   9  -0.151  -5.656  -3.079
   55    HB2  LEU   9           HB2      LEU   9   1.659  -3.251  -2.877
   56    HB3  LEU   9           HB1      LEU   9   1.389  -4.236  -4.318
   57    HG   LEU   9           HG       LEU   9  -0.781  -2.635  -2.950
   58   HD11  LEU   9          HD11      LEU   9   0.563  -1.843  -5.527
   59   HD12  LEU   9          HD12      LEU   9   1.233  -1.309  -3.977
   60   HD13  LEU   9          HD13      LEU   9  -0.422  -0.857  -4.428
   61   HD21  LEU   9          HD21      LEU   9  -1.836  -2.905  -5.258
   62   HD22  LEU   9          HD22      LEU   9  -1.737  -4.379  -4.270
   63   HD23  LEU   9          HD23      LEU   9  -0.571  -4.111  -5.588
   64    H    MET  10           HN       MET  10   2.166  -4.546  -0.629
   65    HA   MET  10           HA       MET  10   4.377  -6.125  -1.505
   66    HB2  MET  10           HB2      MET  10   5.203  -5.855   0.819
   67    HB3  MET  10           HB1      MET  10   4.690  -4.329   0.075
   68    HG2  MET  10           HG2      MET  10   3.711  -4.115   2.140
   69    HG3  MET  10           HG1      MET  10   2.399  -4.955   1.294
   70    HE1  MET  10           HE1      MET  10   4.981  -6.409   4.781
   71    HE2  MET  10           HE2      MET  10   5.655  -5.449   3.442
   72    HE3  MET  10           HE3      MET  10   4.359  -4.773   4.457
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   4.436   9.490  -2.095
    2    H2   GLY   1           HT2      GLY   1   3.712   9.178  -0.591
    3    H3   GLY   1           HT3      GLY   1   3.650  10.738  -1.260
    4    HA2  GLY   1           HA1      GLY   1   1.854  10.302  -2.371
    5    HA3  GLY   1           HA2      GLY   1   2.619   8.862  -3.070
    6    H    ASN   2           HN       ASN   2   1.650   7.007  -2.663
    7    HA   ASN   2           HA       ASN   2   0.024   6.805  -0.131
    8    HB2  ASN   2           HB2      ASN   2  -1.187   4.969  -1.559
    9    HB3  ASN   2           HB1      ASN   2  -1.569   6.682  -1.815
   10   HD21  ASN   2          HD21      ASN   2  -0.434   3.759  -3.249
   11   HD22  ASN   2          HD22      ASN   2  -0.034   4.438  -4.831
   12    H    HIS   3           HN       HIS   3   1.753   6.029   1.092
   13    HA   HIS   3           HA       HIS   3   3.174   3.613   0.220
   14    HB2  HIS   3           HB2      HIS   3   3.155   5.325   2.692
   15    HB3  HIS   3           HB1      HIS   3   3.937   3.734   2.724
   16    HD1  HIS   3           HD1      HIS   3   4.464   7.259   1.773
   17    HD2  HIS   3           HD2      HIS   3   6.188   3.506   0.962
   18    HE1  HIS   3           HE1      HIS   3   6.698   7.692   0.643
   19    H    TRP   4           HN       TRP   4   0.559   4.448   2.487
   20    HA   TRP   4           HA       TRP   4   0.324   1.948   3.779
   21    HB2  TRP   4           HB2      TRP   4  -0.921   4.262   4.073
   22    HB3  TRP   4           HB1      TRP   4  -2.153   3.505   3.049
   23    HD1  TRP   4           HD1      TRP   4  -0.990   3.710   6.601
   24    HE1  TRP   4           HE1      TRP   4  -2.293   2.039   8.104
   25    HE3  TRP   4           HE3      TRP   4  -3.214   0.947   2.925
   26    HZ2  TRP   4           HZ2      TRP   4  -4.015  -0.140   7.723
   27    HZ3  TRP   4           HZ3      TRP   4  -4.676  -0.920   3.567
   28    HH2  TRP   4           HH2      TRP   4  -5.072  -1.457   5.945
   29    H    ALA   5           HN       ALA   5  -1.121   3.096   0.722
   30    HA   ALA   5           HA       ALA   5  -2.738   0.817   0.221
   31    HB1  ALA   5           HB1      ALA   5  -1.324   2.510  -1.856
   32    HB2  ALA   5           HB2      ALA   5  -2.812   3.002  -1.010
   33    HB3  ALA   5           HB3      ALA   5  -2.818   1.566  -2.063
   34    H    VAL   6           HN       VAL   6   0.706   1.286  -0.015
   35    HA   VAL   6           HA       VAL   6   1.175  -0.977  -1.791
   36    HB   VAL   6           HB       VAL   6   3.118   0.400   0.072
   37   HG11  VAL   6          HG11      VAL   6   3.474  -1.416  -2.310
   38   HG12  VAL   6          HG12      VAL   6   4.004  -1.701  -0.634
   39   HG13  VAL   6          HG13      VAL   6   4.786  -0.436  -1.613
   40   HG21  VAL   6          HG21      VAL   6   3.680   1.882  -1.695
   41   HG22  VAL   6          HG22      VAL   6   1.905   1.886  -1.621
   42   HG23  VAL   6          HG23      VAL   6   2.736   0.943  -2.875
   43    H    GLY   7           HN       GLY   7   0.736  -0.516   1.636
   44    HA2  GLY   7           HA1      GLY   7   2.105  -2.785   2.619
   45    HA3  GLY   7           HA2      GLY   7   0.666  -2.058   3.357
   46    H    HIS   8           HN       HIS   8  -1.037  -2.518   1.018
   47    HA   HIS   8           HA       HIS   8  -1.756  -5.300   1.659
   48    HB2  HIS   8           HB2      HIS   8  -2.987  -3.044   0.115
   49    HB3  HIS   8           HB1      HIS   8  -3.571  -4.694  -0.164
   50    HD1  HIS   8           HD1      HIS   8  -5.830  -3.397   0.824
   51    HD2  HIS   8           HD2      HIS   8  -2.677  -4.139   3.507
   52    HE1  HIS   8           HE1      HIS   8  -6.817  -3.365   3.165
   53    H    LEU   9           HN       LEU   9  -0.138  -3.542  -0.892
   54    HA   LEU   9           HA       LEU   9  -0.435  -5.667  -2.872
   55    HB2  LEU   9           HB2      LEU   9   1.283  -3.195  -2.691
   56    HB3  LEU   9           HB1      LEU   9   1.393  -4.324  -4.048
   57    HG   LEU   9           HG       LEU   9  -1.185  -2.958  -3.265
   58   HD11  LEU   9          HD11      LEU   9  -0.583  -1.489  -5.336
   59   HD12  LEU   9          HD12      LEU   9   1.086  -1.999  -5.005
   60   HD13  LEU   9          HD13      LEU   9   0.162  -1.110  -3.780
   61   HD21  LEU   9          HD21      LEU   9  -1.549  -4.871  -4.676
   62   HD22  LEU   9          HD22      LEU   9  -0.199  -4.414  -5.736
   63   HD23  LEU   9          HD23      LEU   9  -1.684  -3.440  -5.709
   64    H    MET  10           HN       MET  10   2.255  -4.444  -0.848
   65    HA   MET  10           HA       MET  10   3.858  -6.840  -1.569
   66    HB2  MET  10           HB2      MET  10   4.534  -4.469   0.196
   67    HB3  MET  10           HB1      MET  10   5.653  -5.738  -0.336
   68    HG2  MET  10           HG2      MET  10   4.165  -4.071  -2.340
   69    HG3  MET  10           HG1      MET  10   5.654  -3.465  -1.591
   70    HE1  MET  10           HE1      MET  10   4.773  -4.501  -4.880
   71    HE2  MET  10           HE2      MET  10   3.946  -5.816  -4.011
   72    HE3  MET  10           HE3      MET  10   5.276  -6.189  -5.130