*HEADER    HORMONE                                 05-MAR-15   2N0D              
*TITLE     NMR STRUCTURE OF NEUROMEDIN C IN 25% 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   14-OCT-15 2N0D    0                                                


  6 VAL  H       6 VAL  HB      3.75  
  9 LEU  H       9 LEU  HB3     3.43  
  2 ASN  HA      3 HIS  H       3.24  
  2 ASN  QB      3 HIS  H       4.85  
 10 MET  H      10 MET  HG2     4.77  
 10 MET  H      10 MET  HG3     4.77  
 10 MET  H      10 MET  QE      4.30  
  8 HIS  H       8 HIS  HB2     3.45  
  8 HIS  H       8 HIS  HB3     3.92  
  4 TRP  H       4 TRP  HB3     3.06  
  4 TRP  HB2     5 ALA  H       3.04  
  3 HIS  H       3 HIS  HB3     4.15  
  4 TRP  HA      5 ALA  H       2.77  
  6 VAL  H       6 VAL  QG2     3.49  
  6 VAL  H       6 VAL  QG1     3.25  
  9 LEU  H       9 LEU  QD1     4.83  
  9 LEU  H       9 LEU  QD2     4.84  
  9 LEU  HA      9 LEU  HG      4.25  
  9 LEU  HA      9 LEU  QD2     4.57  
  6 VAL  HA     10 MET  QE      3.48  
  6 VAL  HA      6 VAL  QG2     3.30  
  6 VAL  HA      6 VAL  QG1     3.41  
  9 LEU  HB2     9 LEU  QD2     3.42  
  9 LEU  HB2     9 LEU  QD1     3.46  
  4 TRP  HB3     4 TRP  HD1     3.19  
  8 HIS  HB2     8 HIS  HD2     3.68  
  8 HIS  HB3     8 HIS  HD2     3.72  
  3 HIS  H       3 HIS  HB2     4.15  
  9 LEU  H       9 LEU  HB2     3.39  
  5 ALA  H       5 ALA  QB      3.16  
  9 LEU  HA      9 LEU  QD1     3.65  
  4 TRP  HA      4 TRP  HD1     4.09  
  8 HIS  HA      8 HIS  HD2     4.95  
  3 HIS  HA      3 HIS  HD2     4.06  
  3 HIS  H       4 TRP  H       3.88  
  7 GLY  H       8 HIS  H       3.35  
  5 ALA  H       6 VAL  H       3.44  
  6 VAL  H       7 GLY  H       3.48  
  4 TRP  HE3     5 ALA  H       3.83  
  4 TRP  H       4 TRP  HD1     3.43  
  8 HIS  H       8 HIS  HD2     4.04  
  4 TRP  HE3     5 ALA  HA      4.54  
  4 TRP  HB2     4 TRP  HE3     3.53  
  4 TRP  HB3     4 TRP  HE3     3.80  
  5 ALA  HA      6 VAL  H       3.07  
  5 ALA  QB      6 VAL  H       3.76  
  7 GLY  HA2     8 HIS  H       3.08  
  7 GLY  H      10 MET  QE      3.78  
  6 VAL  QG1     7 GLY  H       4.28  
  6 VAL  QG2     7 GLY  H       3.85  
  8 HIS  HB3     9 LEU  H       4.04  
  4 TRP  HA      6 VAL  H       4.28  
  7 GLY  HA2     9 LEU  H       4.93  
  8 HIS  HB2     9 LEU  H       4.04  
  3 HIS  HB2     4 TRP  H       3.85  
  3 HIS  HB3     4 TRP  H       3.85  
  7 GLY  H       8 HIS  HA      4.87  
  6 VAL  HA      7 GLY  H       3.14  
  6 VAL  HA      8 HIS  H       4.25  
  2 ASN  QB      5 ALA  QB      4.64  
  5 ALA  QB      6 VAL  QG1     4.34  
  4 TRP  HA      5 ALA  QB      4.44  
  4 TRP  HA      5 ALA  HA      4.90  
  9 LEU  HB2    10 MET  QE      4.68  
  5 ALA  QB      9 LEU  HB2     5.45  
  5 ALA  QB     10 MET  QE      4.69  
  5 ALA  HA      8 HIS  HB2     5.10  
  6 VAL  HA      9 LEU  HB2     4.99  
  5 ALA  HA      6 VAL  HA      4.71  
  7 GLY  HA2     8 HIS  HA      5.09  
  7 GLY  HA3     8 HIS  HA      5.50  
  8 HIS  HB2     9 LEU  HA      4.84  
  8 HIS  HB3     9 LEU  HA      4.96  
  6 VAL  HA      9 LEU  HB3     5.38  
  5 ALA  QB      6 VAL  HA      4.80  
  5 ALA  QB      8 HIS  HB2     4.88  
  5 ALA  QB      8 HIS  HB3     5.35  
  4 TRP  HA      6 VAL  QG1     4.67  
  5 ALA  HA      6 VAL  QG1     4.70  
  5 ALA  HA      6 VAL  QG2     5.09  
  4 TRP  HE3     5 ALA  QB      4.81  
  4 TRP  HD1     5 ALA  HA      5.50  
  4 TRP  HD1     5 ALA  QB      4.94  
  8 HIS  HD2     9 LEU  HB2     5.45  
  4 TRP  HZ3     5 ALA  QB      5.39  
  3 HIS  HD2     6 VAL  QG1     5.01  
  8 HIS  HD2     9 LEU  QD1     5.24  
  4 TRP  HZ3     5 ALA  HA      5.50  
  5 ALA  HA      8 HIS  HD2     4.78  
  7 GLY  HA3     8 HIS  HD2     5.50  
  5 ALA  QB      7 GLY  H       4.86  
  4 TRP  H       6 VAL  QG1     5.50  
  5 ALA  H       6 VAL  QG1     5.50  
  5 ALA  H       6 VAL  QG2     4.87  
  2 ASN  QB      4 TRP  HD1     4.95  
  4 TRP  HB2     6 VAL  H       5.15  
  4 TRP  HB3     6 VAL  H       5.50  
  3 HIS  H       3 HIS  HD2     4.93  
  7 GLY  H       8 HIS  HE1     4.84  
  3 HIS  HD2     4 TRP  H       5.45  
  4 TRP  HZ3     5 ALA  H       5.50  
  5 ALA  HA      7 GLY  H       4.85  
  4 TRP  H       4 TRP  HE1     4.61  
  2 ASN  QB      4 TRP  H       4.36  
  9 LEU  HB3    10 MET  H       4.24  
  8 HIS  H       9 LEU  HB2     4.56  
  9 LEU  HB2    10 MET  H       4.70  
  5 ALA  HA     10 MET  QE      5.50  
  6 VAL  HB      7 GLY  HA2     4.88  
  6 VAL  QG2     7 GLY  HA3     5.18  
  6 VAL  QG2     7 GLY  HA2     4.63  
  2 ASN  QD2     5 ALA  QB      5.01  
  3 HIS  H       3 HIS  QB      3.54  
  3 HIS  QB      3 HIS  HD2     3.43  
 10 MET  H      10 MET  QB      3.42  
 10 MET  H      10 MET  QG      4.18  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1   9.792   4.052  -0.685
    2    H2   GLY   1           H2       GLY   1   9.572   5.179  -1.868
    3    H3   GLY   1           H3       GLY   1   8.825   5.359  -0.409
    4    HA2  GLY   1           HA2      GLY   1   8.314   3.301  -2.410
    5    HA3  GLY   1           HA3      GLY   1   7.589   3.332  -0.791
    6    H    ASN   2           H        ASN   2   5.593   3.298  -2.147
    7    HA   ASN   2           HA       ASN   2   4.900   6.066  -3.047
    8    HB2  ASN   2           HB2      ASN   2   4.003   3.342  -3.996
    9    HB3  ASN   2           HB3      ASN   2   3.017   4.788  -4.292
   10   HD21  ASN   2          HD22      ASN   2   3.545   6.152  -5.936
   11   HD22  ASN   2          HD21      ASN   2   4.955   5.964  -6.955
   12    H    HIS   3           H        HIS   3   2.977   6.986  -2.394
   13    HA   HIS   3           HA       HIS   3   2.083   6.445   0.213
   14    HB2  HIS   3           HB3      HIS   3   1.708   8.570  -0.963
   15    HB3  HIS   3           HB2      HIS   3   0.570   7.767  -2.057
   16    HD2  HIS   3           HD2      HIS   3   0.261   6.918   1.724
   17    HE1  HIS   3           HE1      HIS   3  -2.929   9.516   0.684
   18    HE2  HIS   3           HE2      HIS   3  -1.986   8.020   2.519
   19    H    TRP   4           H        TRP   4   0.168   5.869  -2.768
   20    HA   TRP   4           HA       TRP   4  -1.570   4.014  -1.325
   21    HB2  TRP   4           HB3      TRP   4  -2.903   3.993  -3.248
   22    HB3  TRP   4           HB2      TRP   4  -2.229   5.632  -3.213
   23    HD1  TRP   4           HD1      TRP   4   0.593   5.121  -4.556
   24    HE1  TRP   4           HE1      TRP   4   0.770   4.507  -7.058
   25    HE3  TRP   4           HE3      TRP   4  -4.148   3.342  -5.247
   26    HZ2  TRP   4           HZ2      TRP   4  -0.905   3.414  -9.033
   27    HZ3  TRP   4           HZ3      TRP   4  -4.788   2.525  -7.480
   28    HH2  TRP   4           HH2      TRP   4  -3.187   2.561  -9.346
   29    H    ALA   5           H        ALA   5  -2.138   2.064  -3.151
   30    HA   ALA   5           HA       ALA   5  -1.459  -0.012  -3.870
   31    HB1  ALA   5           HB1      ALA   5   0.250  -0.016  -5.334
   32    HB2  ALA   5           HB2      ALA   5   0.354   1.727  -4.988
   33    HB3  ALA   5           HB3      ALA   5   1.411   0.583  -4.126
   34    H    VAL   6           H        VAL   6  -1.396   0.727  -1.048
   35    HA   VAL   6           HA       VAL   6   0.872  -0.871  -0.008
   36    HB   VAL   6           HB       VAL   6   0.158  -0.134   2.203
   37   HG11  VAL   6          HG11      VAL   6   1.628   1.330   0.876
   38   HG12  VAL   6          HG12      VAL   6   0.198   2.170   0.229
   39   HG13  VAL   6          HG13      VAL   6   0.574   2.262   1.966
   40   HG21  VAL   6          HG21      VAL   6  -2.271  -0.148   1.798
   41   HG22  VAL   6          HG22      VAL   6  -2.102   1.298   0.773
   42   HG23  VAL   6          HG23      VAL   6  -1.726   1.390   2.511
   43    H    GLY   7           H        GLY   7  -1.492  -1.989  -1.529
   44    HA2  GLY   7           HA3      GLY   7  -2.229  -3.986   0.565
   45    HA3  GLY   7           HA2      GLY   7  -3.454  -3.311  -0.526
   46    H    HIS   8           H        HIS   8  -0.119  -4.190  -1.364
   47    HA   HIS   8           HA       HIS   8  -1.160  -6.532  -2.876
   48    HB2  HIS   8           HB3      HIS   8   0.796  -4.578  -4.107
   49    HB3  HIS   8           HB2      HIS   8  -0.080  -5.905  -4.890
   50    HD2  HIS   8           HD2      HIS   8  -0.287  -2.245  -4.904
   51    HE1  HIS   8           HE1      HIS   8  -4.338  -3.481  -5.120
   52    HE2  HIS   8           HE2      HIS   8  -2.753  -1.512  -5.420
   53    H    LEU   9           H        LEU   9   1.809  -4.683  -2.076
   54    HA   LEU   9           HA       LEU   9   3.531  -6.977  -2.258
   55    HB2  LEU   9           HB2      LEU   9   3.842  -4.240  -1.991
   56    HB3  LEU   9           HB3      LEU   9   4.416  -4.856  -0.437
   57    HG   LEU   9           HG       LEU   9   5.750  -6.513  -2.085
   58   HD11  LEU   9          HD11      LEU   9   4.813  -5.478  -4.114
   59   HD12  LEU   9          HD12      LEU   9   5.504  -3.911  -3.626
   60   HD13  LEU   9          HD13      LEU   9   6.579  -5.273  -4.022
   61   HD21  LEU   9          HD21      LEU   9   6.695  -5.099  -0.301
   62   HD22  LEU   9          HD22      LEU   9   7.687  -5.051  -1.778
   63   HD23  LEU   9          HD23      LEU   9   6.612  -3.688  -1.383
   64    H    MET  10           H        MET  10   2.001  -5.290   0.495
   65    HA   MET  10           HA       MET  10   2.534  -7.742   2.120
   66    HB2  MET  10           HB2      MET  10   2.746  -6.279   4.098
   67    HB3  MET  10           HB3      MET  10   4.014  -5.985   2.896
   68    HG2  MET  10           HG3      MET  10   1.551  -4.300   2.764
   69    HG3  MET  10           HG2      MET  10   2.681  -4.015   4.102
   70    HE1  MET  10           HE1      MET  10   2.934  -2.110   0.146
   71    HE2  MET  10           HE2      MET  10   1.895  -3.538   0.374
   72    HE3  MET  10           HE3      MET  10   1.725  -2.131   1.452
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  10.175   6.278  -1.132
    2    H2   GLY   1           H2       GLY   1   9.416   6.572  -2.566
    3    H3   GLY   1           H3       GLY   1   9.068   7.495  -1.245
    4    HA2  GLY   1           HA3      GLY   1   8.527   4.641  -1.525
    5    HA3  GLY   1           HA2      GLY   1   8.151   5.641  -0.109
    6    H    ASN   2           H        ASN   2   6.379   4.063  -1.861
    7    HA   ASN   2           HA       ASN   2   4.797   6.182  -3.202
    8    HB2  ASN   2           HB2      ASN   2   3.397   4.219  -3.954
    9    HB3  ASN   2           HB3      ASN   2   5.074   4.223  -4.535
   10   HD21  ASN   2          HD21      ASN   2   6.395   2.528  -4.070
   11   HD22  ASN   2          HD22      ASN   2   5.938   1.171  -3.065
   12    H    HIS   3           H        HIS   3   2.804   6.836  -2.571
   13    HA   HIS   3           HA       HIS   3   2.100   6.421   0.205
   14    HB2  HIS   3           HB2      HIS   3   1.734   8.514  -1.212
   15    HB3  HIS   3           HB3      HIS   3   0.351   7.668  -1.926
   16    HD2  HIS   3           HD2      HIS   3   0.363   6.708   1.690
   17    HE1  HIS   3           HE1      HIS   3  -1.949  10.261   1.492
   18    HE2  HIS   3           HE2      HIS   3  -1.316   8.277   2.962
   19    H    TRP   4           H        TRP   4   0.133   5.894  -2.748
   20    HA   TRP   4           HA       TRP   4  -1.582   4.017  -1.324
   21    HB2  TRP   4           HB3      TRP   4  -2.910   3.994  -3.249
   22    HB3  TRP   4           HB2      TRP   4  -2.238   5.634  -3.213
   23    HD1  TRP   4           HD1      TRP   4   0.588   5.126  -4.547
   24    HE1  TRP   4           HE1      TRP   4   0.773   4.515  -7.048
   25    HE3  TRP   4           HE3      TRP   4  -4.148   3.342  -5.252
   26    HZ2  TRP   4           HZ2      TRP   4  -0.894   3.418  -9.030
   27    HZ3  TRP   4           HZ3      TRP   4  -4.782   2.523  -7.486
   28    HH2  TRP   4           HH2      TRP   4  -3.175   2.564  -9.349
   29    H    ALA   5           H        ALA   5  -2.144   2.067  -3.150
   30    HA   ALA   5           HA       ALA   5  -1.459  -0.008  -3.868
   31    HB1  ALA   5           HB1      ALA   5   0.252  -0.011  -5.328
   32    HB2  ALA   5           HB2      ALA   5   1.410   0.588  -4.117
   33    HB3  ALA   5           HB3      ALA   5   0.355   1.732  -4.982
   34    H    VAL   6           H        VAL   6  -1.408   0.726  -1.048
   35    HA   VAL   6           HA       VAL   6   0.860  -0.867   0.001
   36    HB   VAL   6           HB       VAL   6   0.144  -0.129   2.209
   37   HG11  VAL   6          HG11      VAL   6   1.598   1.349   0.881
   38   HG12  VAL   6          HG12      VAL   6   0.160   2.174   0.233
   39   HG13  VAL   6          HG13      VAL   6   0.535   2.272   1.970
   40   HG21  VAL   6          HG21      VAL   6  -1.753   1.420   2.485
   41   HG22  VAL   6          HG22      VAL   6  -2.148   1.233   0.760
   42   HG23  VAL   6          HG23      VAL   6  -2.274  -0.162   1.858
   43    H    GLY   7           H        GLY   7  -1.495  -1.987  -1.530
   44    HA2  GLY   7           HA3      GLY   7  -2.234  -3.990   0.559
   45    HA3  GLY   7           HA2      GLY   7  -3.458  -3.317  -0.536
   46    H    HIS   8           H        HIS   8  -0.117  -4.185  -1.361
   47    HA   HIS   8           HA       HIS   8  -1.144  -6.529  -2.880
   48    HB2  HIS   8           HB2      HIS   8   0.807  -4.560  -4.092
   49    HB3  HIS   8           HB3      HIS   8  -0.045  -5.892  -4.892
   50    HD2  HIS   8           HD2      HIS   8  -0.274  -2.237  -4.897
   51    HE1  HIS   8           HE1      HIS   8  -4.323  -3.485  -5.131
   52    HE2  HIS   8           HE2      HIS   8  -2.740  -1.510  -5.427
   53    H    LEU   9           H        LEU   9   1.810  -4.673  -2.046
   54    HA   LEU   9           HA       LEU   9   3.536  -6.970  -2.222
   55    HB2  LEU   9           HB2      LEU   9   3.847  -4.229  -1.973
   56    HB3  LEU   9           HB3      LEU   9   4.422  -4.836  -0.417
   57    HG   LEU   9           HG       LEU   9   5.771  -6.501  -2.023
   58   HD11  LEU   9          HD11      LEU   9   4.803  -5.556  -4.083
   59   HD12  LEU   9          HD12      LEU   9   6.566  -5.324  -4.014
   60   HD13  LEU   9          HD13      LEU   9   5.475  -3.963  -3.662
   61   HD21  LEU   9          HD21      LEU   9   6.709  -5.007  -0.302
   62   HD22  LEU   9          HD22      LEU   9   7.689  -5.001  -1.788
   63   HD23  LEU   9          HD23      LEU   9   6.597  -3.639  -1.436
   64    H    MET  10           H        MET  10   2.184  -5.175   0.572
   65    HA   MET  10           HA       MET  10   2.661  -7.637   2.204
   66    HB2  MET  10           HB2      MET  10   2.863  -6.135   4.161
   67    HB3  MET  10           HB3      MET  10   4.133  -5.867   2.955
   68    HG2  MET  10           HG3      MET  10   1.666  -4.186   2.801
   69    HG3  MET  10           HG2      MET  10   2.815  -3.869   4.114
   70    HE1  MET  10           HE1      MET  10   3.007  -2.041   0.126
   71    HE2  MET  10           HE2      MET  10   1.962  -3.455   0.402
   72    HE3  MET  10           HE3      MET  10   1.829  -2.030   1.460
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1   9.904   5.504  -1.021
    2    H2   GLY   1           H2       GLY   1   9.047   6.783  -1.613
    3    H3   GLY   1           H3       GLY   1   9.038   5.342  -2.415
    4    HA2  GLY   1           HA2      GLY   1   7.935   4.276  -0.621
    5    HA3  GLY   1           HA3      GLY   1   7.945   5.822   0.249
    6    H    ASN   2           H        ASN   2   6.286   3.809  -1.932
    7    HA   ASN   2           HA       ASN   2   4.716   5.913  -3.208
    8    HB2  ASN   2           HB2      ASN   2   4.301   2.908  -3.069
    9    HB3  ASN   2           HB3      ASN   2   3.376   4.025  -4.091
   10   HD21  ASN   2          HD21      ASN   2   5.761   1.793  -4.181
   11   HD22  ASN   2          HD22      ASN   2   6.719   2.405  -5.512
   12    H    HIS   3           H        HIS   3   2.999   6.910  -2.420
   13    HA   HIS   3           HA       HIS   3   2.044   6.511   0.209
   14    HB2  HIS   3           HB2      HIS   3   1.771   8.520  -1.391
   15    HB3  HIS   3           HB3      HIS   3   0.347   7.664  -2.007
   16    HD2  HIS   3           HD2      HIS   3   0.637   7.167   1.752
   17    HE1  HIS   3           HE1      HIS   3  -1.963  10.471   1.177
   18    HE2  HIS   3           HE2      HIS   3  -1.082   8.797   2.885
   19    H    TRP   4           H        TRP   4   0.224   5.832  -2.809
   20    HA   TRP   4           HA       TRP   4  -1.553   4.025  -1.329
   21    HB2  TRP   4           HB3      TRP   4  -2.899   4.002  -3.244
   22    HB3  TRP   4           HB2      TRP   4  -2.216   5.638  -3.221
   23    HD1  TRP   4           HD1      TRP   4   0.596   5.106  -4.579
   24    HE1  TRP   4           HE1      TRP   4   0.753   4.482  -7.079
   25    HE3  TRP   4           HE3      TRP   4  -4.160   3.349  -5.229
   26    HZ2  TRP   4           HZ2      TRP   4  -0.942   3.386  -9.039
   27    HZ3  TRP   4           HZ3      TRP   4  -4.822   2.528  -7.454
   28    HH2  TRP   4           HH2      TRP   4  -3.231   2.546  -9.331
   29    H    ALA   5           H        ALA   5  -2.143   2.070  -3.141
   30    HA   ALA   5           HA       ALA   5  -1.481  -0.012  -3.857
   31    HB1  ALA   5           HB1      ALA   5   0.216  -0.031  -5.334
   32    HB2  ALA   5           HB2      ALA   5   0.332   1.712  -4.995
   33    HB3  ALA   5           HB3      ALA   5   1.389   0.566  -4.137
   34    H    VAL   6           H        VAL   6  -1.411   0.718  -1.043
   35    HA   VAL   6           HA       VAL   6   0.867  -0.872  -0.008
   36    HB   VAL   6           HB       VAL   6   0.137  -0.142   2.210
   37   HG11  VAL   6          HG11      VAL   6   1.641   1.302   0.899
   38   HG12  VAL   6          HG12      VAL   6   0.230   2.162   0.238
   39   HG13  VAL   6          HG13      VAL   6   0.589   2.248   1.979
   40   HG21  VAL   6          HG21      VAL   6  -2.288  -0.122   1.779
   41   HG22  VAL   6          HG22      VAL   6  -2.089   1.322   0.757
   42   HG23  VAL   6          HG23      VAL   6  -1.730   1.408   2.499
   43    H    GLY   7           H        GLY   7  -1.488  -2.002  -1.522
   44    HA2  GLY   7           HA3      GLY   7  -2.216  -4.002   0.573
   45    HA3  GLY   7           HA2      GLY   7  -3.449  -3.326  -0.510
   46    H    HIS   8           H        HIS   8  -0.116  -4.191  -1.373
   47    HA   HIS   8           HA       HIS   8  -1.160  -6.536  -2.879
   48    HB2  HIS   8           HB3      HIS   8   0.781  -4.575  -4.123
   49    HB3  HIS   8           HB2      HIS   8  -0.099  -5.903  -4.901
   50    HD2  HIS   8           HD2      HIS   8  -0.313  -2.244  -4.905
   51    HE1  HIS   8           HE1      HIS   8  -4.365  -3.491  -5.089
   52    HE2  HIS   8           HE2      HIS   8  -2.787  -1.515  -5.403
   53    H    LEU   9           H        LEU   9   1.797  -4.677  -2.066
   54    HA   LEU   9           HA       LEU   9   3.527  -6.970  -2.269
   55    HB2  LEU   9           HB2      LEU   9   3.836  -4.231  -2.020
   56    HB3  LEU   9           HB3      LEU   9   4.426  -4.838  -0.469
   57    HG   LEU   9           HG       LEU   9   5.768  -6.499  -2.082
   58   HD11  LEU   9          HD11      LEU   9   4.772  -5.571  -4.136
   59   HD12  LEU   9          HD12      LEU   9   6.535  -5.328  -4.088
   60   HD13  LEU   9          HD13      LEU   9   5.440  -3.971  -3.731
   61   HD21  LEU   9          HD21      LEU   9   6.718  -4.990  -0.381
   62   HD22  LEU   9          HD22      LEU   9   7.680  -4.987  -1.878
   63   HD23  LEU   9          HD23      LEU   9   6.585  -3.630  -1.520
   64    H    MET  10           H        MET  10   1.513  -5.646   0.260
   65    HA   MET  10           HA       MET  10   2.701  -7.590   2.190
   66    HB2  MET  10           HB2      MET  10   0.936  -5.188   2.756
   67    HB3  MET  10           HB3      MET  10   1.721  -6.229   3.957
   68    HG2  MET  10           HG2      MET  10   3.626  -5.076   3.836
   69    HG3  MET  10           HG3      MET  10   3.645  -5.143   2.063
   70    HE1  MET  10           HE1      MET  10   3.031  -3.574   0.559
   71    HE2  MET  10           HE2      MET  10   1.321  -3.186   0.862
   72    HE3  MET  10           HE3      MET  10   2.538  -1.888   0.842
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   7.635   1.071  -2.073
    2    H2   GLY   1           H2       GLY   1   6.012   1.362  -2.062
    3    H3   GLY   1           H3       GLY   1   7.055   2.484  -1.452
    4    HA2  GLY   1           HA2      GLY   1   8.079   2.486  -3.741
    5    HA3  GLY   1           HA3      GLY   1   6.527   1.764  -4.207
    6    H    ASN   2           H        ASN   2   4.712   3.061  -2.659
    7    HA   ASN   2           HA       ASN   2   5.176   5.954  -2.826
    8    HB2  ASN   2           HB3      ASN   2   3.437   4.460  -4.770
    9    HB3  ASN   2           HB2      ASN   2   2.938   6.072  -4.220
   10   HD21  ASN   2          HD21      ASN   2   3.953   4.931  -6.872
   11   HD22  ASN   2          HD22      ASN   2   5.238   6.023  -7.335
   12    H    HIS   3           H        HIS   3   2.883   7.066  -2.425
   13    HA   HIS   3           HA       HIS   3   2.136   6.413   0.207
   14    HB2  HIS   3           HB2      HIS   3   1.715   8.546  -1.195
   15    HB3  HIS   3           HB3      HIS   3   0.237   7.729  -1.730
   16    HD2  HIS   3           HD2      HIS   3   1.078   7.081   1.967
   17    HE1  HIS   3           HE1      HIS   3  -1.856  10.142   1.863
   18    HE2  HIS   3           HE2      HIS   3  -0.600   8.525   3.376
   19    H    TRP   4           H        TRP   4   0.236   5.831  -2.783
   20    HA   TRP   4           HA       TRP   4  -1.544   4.014  -1.326
   21    HB2  TRP   4           HB2      TRP   4  -2.870   3.987  -3.250
   22    HB3  TRP   4           HB3      TRP   4  -2.208   5.631  -3.212
   23    HD1  TRP   4           HD1      TRP   4   0.626   5.109  -4.555
   24    HE1  TRP   4           HE1      TRP   4   0.801   4.494  -7.055
   25    HE3  TRP   4           HE3      TRP   4  -4.123   3.352  -5.246
   26    HZ2  TRP   4           HZ2      TRP   4  -0.876   3.407  -9.031
   27    HZ3  TRP   4           HZ3      TRP   4  -4.768   2.540  -7.479
   28    HH2  TRP   4           HH2      TRP   4  -3.164   2.565  -9.346
   29    H    ALA   5           H        ALA   5  -2.121   2.064  -3.145
   30    HA   ALA   5           HA       ALA   5  -1.452  -0.013  -3.868
   31    HB1  ALA   5           HB1      ALA   5   0.256  -0.028  -5.331
   32    HB2  ALA   5           HB2      ALA   5   0.369   1.715  -4.987
   33    HB3  ALA   5           HB3      ALA   5   1.420   0.566  -4.124
   34    H    VAL   6           H        VAL   6  -1.391   0.721  -1.047
   35    HA   VAL   6           HA       VAL   6   0.872  -0.886  -0.005
   36    HB   VAL   6           HB       VAL   6   0.174  -0.140   2.203
   37   HG11  VAL   6          HG11      VAL   6   1.619   1.336   0.861
   38   HG12  VAL   6          HG12      VAL   6   0.566   2.260   1.960
   39   HG13  VAL   6          HG13      VAL   6   0.176   2.163   0.226
   40   HG21  VAL   6          HG21      VAL   6  -2.260  -0.173   1.819
   41   HG22  VAL   6          HG22      VAL   6  -1.722   1.370   2.525
   42   HG23  VAL   6          HG23      VAL   6  -2.112   1.272   0.791
   43    H    GLY   7           H        GLY   7  -1.487  -1.998  -1.529
   44    HA2  GLY   7           HA2      GLY   7  -2.225  -3.994   0.561
   45    HA3  GLY   7           HA3      GLY   7  -3.460  -3.314  -0.517
   46    H    HIS   8           H        HIS   8  -0.126  -4.197  -1.368
   47    HA   HIS   8           HA       HIS   8  -1.173  -6.539  -2.877
   48    HB2  HIS   8           HB3      HIS   8   0.785  -4.591  -4.114
   49    HB3  HIS   8           HB2      HIS   8  -0.099  -5.915  -4.894
   50    HD2  HIS   8           HD2      HIS   8  -0.294  -2.254  -4.907
   51    HE1  HIS   8           HE1      HIS   8  -4.350  -3.478  -5.112
   52    HE2  HIS   8           HE2      HIS   8  -2.759  -1.512  -5.419
   53    H    LEU   9           H        LEU   9   1.811  -4.698  -2.117
   54    HA   LEU   9           HA       LEU   9   3.532  -6.981  -2.300
   55    HB2  LEU   9           HB2      LEU   9   3.833  -4.248  -1.992
   56    HB3  LEU   9           HB3      LEU   9   4.399  -4.882  -0.443
   57    HG   LEU   9           HG       LEU   9   5.734  -6.517  -2.141
   58   HD11  LEU   9          HD11      LEU   9   4.839  -5.372  -4.132
   59   HD12  LEU   9          HD12      LEU   9   5.541  -3.840  -3.560
   60   HD13  LEU   9          HD13      LEU   9   6.606  -5.194  -4.006
   61   HD21  LEU   9          HD21      LEU   9   6.669  -5.203  -0.278
   62   HD22  LEU   9          HD22      LEU   9   7.683  -5.095  -1.737
   63   HD23  LEU   9          HD23      LEU   9   6.618  -3.740  -1.291
   64    H    MET  10           H        MET  10   1.826  -5.435   0.411
   65    HA   MET  10           HA       MET  10   2.393  -7.885   2.011
   66    HB2  MET  10           HB3      MET  10   2.701  -6.520   4.018
   67    HB3  MET  10           HB2      MET  10   3.907  -6.123   2.781
   68    HG2  MET  10           HG2      MET  10   1.427  -4.490   2.784
   69    HG3  MET  10           HG3      MET  10   2.525  -4.268   4.160
   70    HE1  MET  10           HE1      MET  10   2.791  -2.111   0.334
   71    HE2  MET  10           HE2      MET  10   1.785  -3.573   0.457
   72    HE3  MET  10           HE3      MET  10   1.566  -2.242   1.618
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1   9.704   8.148  -4.352
    2    H2   GLY   1           H2       GLY   1   8.514   7.760  -5.426
    3    H3   GLY   1           H3       GLY   1   8.408   9.149  -4.544
    4    HA2  GLY   1           HA2      GLY   1   8.342   6.434  -3.481
    5    HA3  GLY   1           HA3      GLY   1   8.232   7.925  -2.525
    6    H    ASN   2           H        ASN   2   6.354   5.625  -2.909
    7    HA   ASN   2           HA       ASN   2   4.016   7.217  -3.881
    8    HB2  ASN   2           HB2      ASN   2   2.958   5.051  -4.468
    9    HB3  ASN   2           HB3      ASN   2   4.425   5.383  -5.409
   10   HD21  ASN   2          HD21      ASN   2   3.135   3.581  -2.612
   11   HD22  ASN   2          HD22      ASN   2   4.313   2.289  -2.669
   12    H    HIS   3           H        HIS   3   2.067   7.027  -2.750
   13    HA   HIS   3           HA       HIS   3   2.443   6.140   0.067
   14    HB2  HIS   3           HB3      HIS   3   1.665   8.525  -0.684
   15    HB3  HIS   3           HB2      HIS   3   0.098   7.735  -0.927
   16    HD2  HIS   3           HD2      HIS   3   2.218   6.643   2.156
   17    HE1  HIS   3           HE1      HIS   3  -1.016   9.016   3.532
   18    HE2  HIS   3           HE2      HIS   3   0.908   7.512   4.256
   19    H    TRP   4           H        TRP   4   0.243   5.866  -2.716
   20    HA   TRP   4           HA       TRP   4  -1.524   4.012  -1.316
   21    HB2  TRP   4           HB2      TRP   4  -2.815   3.996  -3.264
   22    HB3  TRP   4           HB3      TRP   4  -2.145   5.636  -3.210
   23    HD1  TRP   4           HD1      TRP   4   0.708   5.103  -4.503
   24    HE1  TRP   4           HE1      TRP   4   0.926   4.494  -7.003
   25    HE3  TRP   4           HE3      TRP   4  -4.035   3.373  -5.285
   26    HZ2  TRP   4           HZ2      TRP   4  -0.722   3.421  -9.012
   27    HZ3  TRP   4           HZ3      TRP   4  -4.644   2.566  -7.530
   28    HH2  TRP   4           HH2      TRP   4  -3.008   2.591  -9.368
   29    H    ALA   5           H        ALA   5  -2.078   2.071  -3.155
   30    HA   ALA   5           HA       ALA   5  -1.406  -0.010  -3.866
   31    HB1  ALA   5           HB1      ALA   5   0.327  -0.030  -5.297
   32    HB2  ALA   5           HB2      ALA   5   0.443   1.711  -4.946
   33    HB3  ALA   5           HB3      ALA   5   1.472   0.555  -4.067
   34    H    VAL   6           H        VAL   6  -1.401   0.708  -1.044
   35    HA   VAL   6           HA       VAL   6   0.839  -0.904   0.037
   36    HB   VAL   6           HB       VAL   6   0.040  -0.184   2.244
   37   HG11  VAL   6          HG11      VAL   6   1.634   1.223   1.003
   38   HG12  VAL   6          HG12      VAL   6   0.567   2.192   2.047
   39   HG13  VAL   6          HG13      VAL   6   0.275   2.127   0.293
   40   HG21  VAL   6          HG21      VAL   6  -2.365  -0.092   1.719
   41   HG22  VAL   6          HG22      VAL   6  -2.085   1.351   0.715
   42   HG23  VAL   6          HG23      VAL   6  -1.793   1.417   2.469
   43    H    GLY   7           H        GLY   7  -1.495  -2.003  -1.537
   44    HA2  GLY   7           HA2      GLY   7  -2.278  -4.004   0.530
   45    HA3  GLY   7           HA3      GLY   7  -3.489  -3.318  -0.570
   46    H    HIS   8           H        HIS   8  -0.142  -4.208  -1.360
   47    HA   HIS   8           HA       HIS   8  -1.166  -6.539  -2.898
   48    HB2  HIS   8           HB2      HIS   8   0.817  -4.584  -4.077
   49    HB3  HIS   8           HB3      HIS   8  -0.036  -5.907  -4.892
   50    HD2  HIS   8           HD2      HIS   8  -0.235  -2.248  -4.890
   51    HE1  HIS   8           HE1      HIS   8  -4.287  -3.461  -5.182
   52    HE2  HIS   8           HE2      HIS   8  -2.686  -1.500  -5.450
   53    H    LEU   9           H        LEU   9   1.808  -4.710  -2.070
   54    HA   LEU   9           HA       LEU   9   3.527  -6.996  -2.229
   55    HB2  LEU   9           HB3      LEU   9   3.830  -4.255  -1.884
   56    HB3  LEU   9           HB2      LEU   9   4.371  -4.929  -0.342
   57    HG   LEU   9           HG       LEU   9   5.724  -6.540  -2.028
   58   HD11  LEU   9          HD11      LEU   9   4.875  -5.378  -4.028
   59   HD12  LEU   9          HD12      LEU   9   5.573  -3.853  -3.432
   60   HD13  LEU   9          HD13      LEU   9   6.639  -5.210  -3.865
   61   HD21  LEU   9          HD21      LEU   9   6.629  -5.242  -0.137
   62   HD22  LEU   9          HD22      LEU   9   6.605  -3.773  -1.142
   63   HD23  LEU   9          HD23      LEU   9   7.672  -5.130  -1.576
   64    H    MET  10           H        MET  10   1.817  -5.428   0.473
   65    HA   MET  10           HA       MET  10   2.335  -7.893   2.073
   66    HB2  MET  10           HB2      MET  10   2.574  -6.518   4.087
   67    HB3  MET  10           HB3      MET  10   3.831  -6.147   2.895
   68    HG2  MET  10           HG3      MET  10   1.360  -4.484   2.820
   69    HG3  MET  10           HG2      MET  10   2.439  -4.268   4.211
   70    HE1  MET  10           HE1      MET  10   2.799  -2.125   0.389
   71    HE2  MET  10           HE2      MET  10   1.774  -3.576   0.496
   72    HE3  MET  10           HE3      MET  10   1.548  -2.239   1.650
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   9.094   9.417  -1.030
    2    H2   GLY   1           H2       GLY   1   7.769   9.989  -1.828
    3    H3   GLY   1           H3       GLY   1   7.581   9.037  -0.494
    4    HA2  GLY   1           HA2      GLY   1   8.767   8.221  -3.032
    5    HA3  GLY   1           HA3      GLY   1   8.572   7.192  -1.599
    6    H    ASN   2           H        ASN   2   6.884   5.882  -1.643
    7    HA   ASN   2           HA       ASN   2   4.619   6.586  -3.445
    8    HB2  ASN   2           HB2      ASN   2   4.097   4.246  -3.505
    9    HB3  ASN   2           HB3      ASN   2   5.837   4.420  -3.802
   10   HD21  ASN   2          HD21      ASN   2   3.425   2.900  -1.940
   11   HD22  ASN   2          HD22      ASN   2   4.458   2.180  -0.726
   12    H    HIS   3           H        HIS   3   2.460   6.308  -2.765
   13    HA   HIS   3           HA       HIS   3   2.135   6.398   0.208
   14    HB2  HIS   3           HB2      HIS   3   1.683   8.499  -1.326
   15    HB3  HIS   3           HB3      HIS   3   0.155   7.666  -1.655
   16    HD2  HIS   3           HD2      HIS   3   1.509   7.367   1.968
   17    HE1  HIS   3           HE1      HIS   3  -1.646  10.203   1.986
   18    HE2  HIS   3           HE2      HIS   3  -0.077   8.834   3.457
   19    H    TRP   4           H        TRP   4   0.191   5.860  -2.763
   20    HA   TRP   4           HA       TRP   4  -1.561   4.012  -1.324
   21    HB2  TRP   4           HB2      TRP   4  -2.881   3.985  -3.251
   22    HB3  TRP   4           HB3      TRP   4  -2.223   5.630  -3.211
   23    HD1  TRP   4           HD1      TRP   4   0.615   5.118  -4.547
   24    HE1  TRP   4           HE1      TRP   4   0.797   4.507  -7.049
   25    HE3  TRP   4           HE3      TRP   4  -4.127   3.346  -5.252
   26    HZ2  TRP   4           HZ2      TRP   4  -0.874   3.417  -9.030
   27    HZ3  TRP   4           HZ3      TRP   4  -4.766   2.534  -7.487
   28    HH2  TRP   4           HH2      TRP   4  -3.157   2.567  -9.350
   29    H    ALA   5           H        ALA   5  -2.127   2.065  -3.150
   30    HA   ALA   5           HA       ALA   5  -1.450  -0.012  -3.871
   31    HB1  ALA   5           HB1      ALA   5   0.261  -0.018  -5.331
   32    HB2  ALA   5           HB2      ALA   5   0.367   1.724  -4.983
   33    HB3  ALA   5           HB3      ALA   5   1.421   0.578  -4.120
   34    H    VAL   6           H        VAL   6  -1.393   0.723  -1.049
   35    HA   VAL   6           HA       VAL   6   0.870  -0.879  -0.005
   36    HB   VAL   6           HB       VAL   6   0.162  -0.137   2.203
   37   HG11  VAL   6          HG11      VAL   6   1.620   1.333   0.872
   38   HG12  VAL   6          HG12      VAL   6   0.565   2.259   1.967
   39   HG13  VAL   6          HG13      VAL   6   0.184   2.167   0.231
   40   HG21  VAL   6          HG21      VAL   6  -2.269  -0.163   1.806
   41   HG22  VAL   6          HG22      VAL   6  -1.729   1.377   2.518
   42   HG23  VAL   6          HG23      VAL   6  -2.111   1.285   0.782
   43    H    GLY   7           H        GLY   7  -1.493  -1.989  -1.530
   44    HA2  GLY   7           HA3      GLY   7  -2.239  -3.987   0.561
   45    HA3  GLY   7           HA2      GLY   7  -3.460  -3.309  -0.533
   46    H    HIS   8           H        HIS   8  -0.124  -4.191  -1.364
   47    HA   HIS   8           HA       HIS   8  -1.164  -6.534  -2.877
   48    HB2  HIS   8           HB2      HIS   8   0.792  -4.577  -4.097
   49    HB3  HIS   8           HB3      HIS   8  -0.070  -5.906  -4.892
   50    HD2  HIS   8           HD2      HIS   8  -0.281  -2.250  -4.904
   51    HE1  HIS   8           HE1      HIS   8  -4.336  -3.480  -5.122
   52    HE2  HIS   8           HE2      HIS   8  -2.746  -1.512  -5.426
   53    H    LEU   9           H        LEU   9   1.825  -4.693  -2.137
   54    HA   LEU   9           HA       LEU   9   3.552  -6.963  -2.308
   55    HB2  LEU   9           HB2      LEU   9   3.839  -4.234  -1.972
   56    HB3  LEU   9           HB3      LEU   9   4.396  -4.880  -0.424
   57    HG   LEU   9           HG       LEU   9   5.748  -6.494  -2.130
   58   HD11  LEU   9          HD11      LEU   9   4.866  -5.327  -4.114
   59   HD12  LEU   9          HD12      LEU   9   5.559  -3.800  -3.517
   60   HD13  LEU   9          HD13      LEU   9   6.631  -5.146  -3.972
   61   HD21  LEU   9          HD21      LEU   9   6.667  -5.199  -0.244
   62   HD22  LEU   9          HD22      LEU   9   6.619  -3.725  -1.239
   63   HD23  LEU   9          HD23      LEU   9   7.691  -5.070  -1.694
   64    H    MET  10           H        MET  10   1.795  -5.470   0.395
   65    HA   MET  10           HA       MET  10   2.391  -7.921   1.985
   66    HB2  MET  10           HB2      MET  10   2.609  -6.553   4.007
   67    HB3  MET  10           HB3      MET  10   3.854  -6.149   2.812
   68    HG2  MET  10           HG2      MET  10   1.350  -4.544   2.746
   69    HG3  MET  10           HG3      MET  10   2.416  -4.307   4.145
   70    HE1  MET  10           HE1      MET  10   2.731  -2.145   0.325
   71    HE2  MET  10           HE2      MET  10   1.483  -2.292   1.585
   72    HE3  MET  10           HE3      MET  10   1.741  -3.621   0.429
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1   9.472   6.220  -2.194
    2    H2   GLY   1           H2       GLY   1   8.421   5.318  -3.088
    3    H3   GLY   1           H3       GLY   1   8.241   5.412  -1.452
    4    HA2  GLY   1           HA3      GLY   1   7.501   7.544  -1.469
    5    HA3  GLY   1           HA2      GLY   1   8.147   7.790  -3.103
    6    H    ASN   2           H        ASN   2   6.199   5.078  -1.859
    7    HA   ASN   2           HA       ASN   2   4.104   5.847  -3.850
    8    HB2  ASN   2           HB2      ASN   2   4.948   3.093  -2.886
    9    HB3  ASN   2           HB3      ASN   2   3.552   3.412  -3.933
   10   HD21  ASN   2          HD21      ASN   2   6.524   2.194  -4.048
   11   HD22  ASN   2          HD22      ASN   2   7.055   2.727  -5.627
   12    H    HIS   3           H        HIS   3   2.884   7.083  -2.426
   13    HA   HIS   3           HA       HIS   3   2.153   6.403   0.200
   14    HB2  HIS   3           HB3      HIS   3   1.725   8.589  -0.894
   15    HB3  HIS   3           HB2      HIS   3   0.457   7.829  -1.870
   16    HD2  HIS   3           HD2      HIS   3   0.283   6.557   1.711
   17    HE1  HIS   3           HE1      HIS   3  -2.470   9.774   1.434
   18    HE2  HIS   3           HE2      HIS   3  -1.694   7.826   2.883
   19    H    TRP   4           H        TRP   4   0.240   5.832  -2.784
   20    HA   TRP   4           HA       TRP   4  -1.543   4.017  -1.325
   21    HB2  TRP   4           HB2      TRP   4  -2.867   3.991  -3.250
   22    HB3  TRP   4           HB3      TRP   4  -2.202   5.634  -3.213
   23    HD1  TRP   4           HD1      TRP   4   0.631   5.108  -4.554
   24    HE1  TRP   4           HE1      TRP   4   0.805   4.490  -7.054
   25    HE3  TRP   4           HE3      TRP   4  -4.120   3.355  -5.245
   26    HZ2  TRP   4           HZ2      TRP   4  -0.873   3.403  -9.029
   27    HZ3  TRP   4           HZ3      TRP   4  -4.766   2.539  -7.479
   28    HH2  TRP   4           HH2      TRP   4  -3.160   2.563  -9.344
   29    H    ALA   5           H        ALA   5  -2.121   2.068  -3.146
   30    HA   ALA   5           HA       ALA   5  -1.454  -0.011  -3.863
   31    HB1  ALA   5           HB1      ALA   5   0.255  -0.030  -5.325
   32    HB2  ALA   5           HB2      ALA   5   0.371   1.712  -4.982
   33    HB3  ALA   5           HB3      ALA   5   1.419   0.563  -4.116
   34    H    VAL   6           H        VAL   6  -1.401   0.714  -1.045
   35    HA   VAL   6           HA       VAL   6   0.864  -0.886   0.002
   36    HB   VAL   6           HB       VAL   6   0.146  -0.147   2.212
   37   HG11  VAL   6          HG11      VAL   6   1.620   1.318   0.889
   38   HG12  VAL   6          HG12      VAL   6   0.563   2.249   1.978
   39   HG13  VAL   6          HG13      VAL   6   0.191   2.159   0.239
   40   HG21  VAL   6          HG21      VAL   6  -2.282  -0.157   1.800
   41   HG22  VAL   6          HG22      VAL   6  -1.738   1.379   2.515
   42   HG23  VAL   6          HG23      VAL   6  -2.109   1.289   0.776
   43    H    GLY   7           H        GLY   7  -1.490  -2.001  -1.527
   44    HA2  GLY   7           HA2      GLY   7  -2.229  -4.000   0.558
   45    HA3  GLY   7           HA3      GLY   7  -3.462  -3.321  -0.522
   46    H    HIS   8           H        HIS   8  -0.126  -4.198  -1.368
   47    HA   HIS   8           HA       HIS   8  -1.167  -6.538  -2.882
   48    HB2  HIS   8           HB2      HIS   8   0.785  -4.577  -4.102
   49    HB3  HIS   8           HB3      HIS   8  -0.078  -5.906  -4.898
   50    HD2  HIS   8           HD2      HIS   8  -0.289  -2.250  -4.902
   51    HE1  HIS   8           HE1      HIS   8  -4.344  -3.480  -5.117
   52    HE2  HIS   8           HE2      HIS   8  -2.754  -1.510  -5.418
   53    H    LEU   9           H        LEU   9   1.817  -4.694  -2.126
   54    HA   LEU   9           HA       LEU   9   3.544  -6.968  -2.310
   55    HB2  LEU   9           HB3      LEU   9   3.836  -4.226  -1.959
   56    HB3  LEU   9           HB2      LEU   9   4.404  -4.901  -0.428
   57    HG   LEU   9           HG       LEU   9   5.752  -6.497  -2.118
   58   HD11  LEU   9          HD11      LEU   9   4.851  -5.378  -4.120
   59   HD12  LEU   9          HD12      LEU   9   5.534  -3.834  -3.557
   60   HD13  LEU   9          HD13      LEU   9   6.615  -5.180  -3.990
   61   HD21  LEU   9          HD21      LEU   9   6.669  -5.158  -0.263
   62   HD22  LEU   9          HD22      LEU   9   6.604  -3.704  -1.288
   63   HD23  LEU   9          HD23      LEU   9   7.685  -5.051  -1.720
   64    H    MET  10           H        MET  10   1.786  -5.475   0.391
   65    HA   MET  10           HA       MET  10   2.359  -7.933   1.975
   66    HB2  MET  10           HB2      MET  10   2.663  -6.592   3.995
   67    HB3  MET  10           HB3      MET  10   3.882  -6.187   2.774
   68    HG2  MET  10           HG2      MET  10   1.394  -4.549   2.818
   69    HG3  MET  10           HG3      MET  10   2.525  -4.340   4.168
   70    HE1  MET  10           HE1      MET  10   2.694  -2.123   0.378
   71    HE2  MET  10           HE2      MET  10   1.679  -3.579   0.508
   72    HE3  MET  10           HE3      MET  10   1.511  -2.268   1.700
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1   9.028   3.958   0.437
    2    H2   GLY   1           H2       GLY   1   7.427   4.312   0.617
    3    H3   GLY   1           H3       GLY   1   8.490   5.496   0.184
    4    HA2  GLY   1           HA2      GLY   1   8.948   4.426  -1.869
    5    HA3  GLY   1           HA3      GLY   1   7.809   3.147  -1.408
    6    H    ASN   2           H        ASN   2   5.721   3.365  -1.931
    7    HA   ASN   2           HA       ASN   2   4.891   6.018  -3.025
    8    HB2  ASN   2           HB2      ASN   2   4.976   3.790  -4.445
    9    HB3  ASN   2           HB3      ASN   2   3.429   3.465  -3.638
   10   HD21  ASN   2          HD21      ASN   2   3.916   3.915  -6.481
   11   HD22  ASN   2          HD22      ASN   2   2.988   5.329  -6.928
   12    H    HIS   3           H        HIS   3   2.985   6.945  -2.407
   13    HA   HIS   3           HA       HIS   3   2.055   6.488   0.214
   14    HB2  HIS   3           HB3      HIS   3   1.746   8.533  -1.315
   15    HB3  HIS   3           HB2      HIS   3   0.348   7.669  -1.976
   16    HD2  HIS   3           HD2      HIS   3   0.039   6.708   1.519
   17    HE1  HIS   3           HE1      HIS   3  -1.692  10.580   1.419
   18    HE2  HIS   3           HE2      HIS   3  -1.464   8.444   2.790
   19    H    TRP   4           H        TRP   4   0.207   5.841  -2.795
   20    HA   TRP   4           HA       TRP   4  -1.557   4.017  -1.325
   21    HB2  TRP   4           HB2      TRP   4  -2.894   3.986  -3.243
   22    HB3  TRP   4           HB3      TRP   4  -2.234   5.631  -3.211
   23    HD1  TRP   4           HD1      TRP   4   0.593   5.114  -4.570
   24    HE1  TRP   4           HE1      TRP   4   0.755   4.496  -7.071
   25    HE3  TRP   4           HE3      TRP   4  -4.156   3.346  -5.233
   26    HZ2  TRP   4           HZ2      TRP   4  -0.932   3.404  -9.035
   27    HZ3  TRP   4           HZ3      TRP   4  -4.811   2.527  -7.460
   28    HH2  TRP   4           HH2      TRP   4  -3.218   2.557  -9.337
   29    H    ALA   5           H        ALA   5  -2.140   2.066  -3.143
   30    HA   ALA   5           HA       ALA   5  -1.471  -0.012  -3.866
   31    HB1  ALA   5           HB1      ALA   5   0.231  -0.023  -5.338
   32    HB2  ALA   5           HB2      ALA   5   0.342   1.719  -4.995
   33    HB3  ALA   5           HB3      ALA   5   1.399   0.574  -4.136
   34    H    VAL   6           H        VAL   6  -1.397   0.721  -1.047
   35    HA   VAL   6           HA       VAL   6   0.876  -0.876  -0.015
   36    HB   VAL   6           HB       VAL   6   0.186  -0.132   2.196
   37   HG11  VAL   6          HG11      VAL   6   1.619   1.349   0.847
   38   HG12  VAL   6          HG12      VAL   6   0.170   2.169   0.219
   39   HG13  VAL   6          HG13      VAL   6   0.568   2.269   1.951
   40   HG21  VAL   6          HG21      VAL   6  -1.712   1.412   2.495
   41   HG22  VAL   6          HG22      VAL   6  -2.129   1.222   0.775
   42   HG23  VAL   6          HG23      VAL   6  -2.236  -0.173   1.876
   43    H    GLY   7           H        GLY   7  -1.493  -1.991  -1.525
   44    HA2  GLY   7           HA3      GLY   7  -2.224  -3.990   0.570
   45    HA3  GLY   7           HA2      GLY   7  -3.452  -3.314  -0.518
   46    H    HIS   8           H        HIS   8  -0.120  -4.191  -1.369
   47    HA   HIS   8           HA       HIS   8  -1.165  -6.536  -2.874
   48    HB2  HIS   8           HB3      HIS   8   0.783  -4.580  -4.115
   49    HB3  HIS   8           HB2      HIS   8  -0.095  -5.909  -4.893
   50    HD2  HIS   8           HD2      HIS   8  -0.306  -2.251  -4.911
   51    HE1  HIS   8           HE1      HIS   8  -4.358  -3.488  -5.099
   52    HE2  HIS   8           HE2      HIS   8  -2.775  -1.518  -5.414
   53    H    LEU   9           H        LEU   9   1.825  -4.686  -2.151
   54    HA   LEU   9           HA       LEU   9   3.553  -6.956  -2.333
   55    HB2  LEU   9           HB2      LEU   9   3.840  -4.226  -2.011
   56    HB3  LEU   9           HB3      LEU   9   4.410  -4.864  -0.465
   57    HG   LEU   9           HG       LEU   9   5.762  -6.482  -2.152
   58   HD11  LEU   9          HD11      LEU   9   4.842  -5.377  -4.153
   59   HD12  LEU   9          HD12      LEU   9   6.606  -5.173  -4.038
   60   HD13  LEU   9          HD13      LEU   9   5.525  -3.827  -3.605
   61   HD21  LEU   9          HD21      LEU   9   6.689  -5.130  -0.312
   62   HD22  LEU   9          HD22      LEU   9   7.694  -5.027  -1.777
   63   HD23  LEU   9          HD23      LEU   9   6.612  -3.681  -1.344
   64    H    MET  10           H        MET  10   2.030  -5.331   0.462
   65    HA   MET  10           HA       MET  10   2.560  -7.821   2.029
   66    HB2  MET  10           HB2      MET  10   2.838  -6.442   4.031
   67    HB3  MET  10           HB3      MET  10   4.053  -6.047   2.802
   68    HG2  MET  10           HG2      MET  10   1.549  -4.436   2.807
   69    HG3  MET  10           HG3      MET  10   2.669  -4.190   4.160
   70    HE1  MET  10           HE1      MET  10   2.839  -2.044   0.330
   71    HE2  MET  10           HE2      MET  10   1.649  -2.177   1.647
   72    HE3  MET  10           HE3      MET  10   1.840  -3.509   0.482
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   6.240   0.837  -3.973
    2    H2   GLY   1           H2       GLY   1   5.628   1.944  -5.032
    3    H3   GLY   1           H3       GLY   1   4.973   1.794  -3.525
    4    HA2  GLY   1           HA3      GLY   1   7.253   2.357  -2.671
    5    HA3  GLY   1           HA2      GLY   1   7.506   2.949  -4.325
    6    H    ASN   2           H        ASN   2   4.534   3.608  -4.439
    7    HA   ASN   2           HA       ASN   2   4.851   6.323  -3.358
    8    HB2  ASN   2           HB2      ASN   2   2.666   5.004  -4.998
    9    HB3  ASN   2           HB3      ASN   2   2.638   6.703  -4.485
   10   HD21  ASN   2          HD21      ASN   2   3.903   4.372  -6.725
   11   HD22  ASN   2          HD22      ASN   2   4.849   5.482  -7.692
   12    H    HIS   3           H        HIS   3   2.689   7.285  -2.448
   13    HA   HIS   3           HA       HIS   3   2.325   6.246   0.138
   14    HB2  HIS   3           HB2      HIS   3   1.659   8.537  -0.978
   15    HB3  HIS   3           HB3      HIS   3   0.097   7.735  -1.216
   16    HD2  HIS   3           HD2      HIS   3   2.058   7.069   2.097
   17    HE1  HIS   3           HE1      HIS   3  -1.260   9.562   2.981
   18    HE2  HIS   3           HE2      HIS   3   0.636   8.194   3.995
   19    H    TRP   4           H        TRP   4   0.243   5.855  -2.745
   20    HA   TRP   4           HA       TRP   4  -1.533   4.021  -1.322
   21    HB2  TRP   4           HB2      TRP   4  -2.836   4.000  -3.263
   22    HB3  TRP   4           HB3      TRP   4  -2.165   5.640  -3.218
   23    HD1  TRP   4           HD1      TRP   4   0.681   5.102  -4.525
   24    HE1  TRP   4           HE1      TRP   4   0.885   4.486  -7.023
   25    HE3  TRP   4           HE3      TRP   4  -4.067   3.369  -5.274
   26    HZ2  TRP   4           HZ2      TRP   4  -0.776   3.405  -9.019
   27    HZ3  TRP   4           HZ3      TRP   4  -4.689   2.557  -7.514
   28    HH2  TRP   4           HH2      TRP   4  -3.061   2.572  -9.360
   29    H    ALA   5           H        ALA   5  -2.098   2.074  -3.150
   30    HA   ALA   5           HA       ALA   5  -1.431  -0.009  -3.860
   31    HB1  ALA   5           HB1      ALA   5   0.296  -0.032  -5.303
   32    HB2  ALA   5           HB2      ALA   5   0.413   1.710  -4.958
   33    HB3  ALA   5           HB3      ALA   5   1.448   0.557  -4.082
   34    H    VAL   6           H        VAL   6  -1.410   0.714  -1.042
   35    HA   VAL   6           HA       VAL   6   0.838  -0.892   0.032
   36    HB   VAL   6           HB       VAL   6   0.071  -0.161   2.239
   37   HG11  VAL   6          HG11      VAL   6   1.604   1.279   0.958
   38   HG12  VAL   6          HG12      VAL   6   0.536   2.228   2.020
   39   HG13  VAL   6          HG13      VAL   6   0.209   2.145   0.272
   40   HG21  VAL   6          HG21      VAL   6  -2.344  -0.130   1.763
   41   HG22  VAL   6          HG22      VAL   6  -2.121   1.313   0.746
   42   HG23  VAL   6          HG23      VAL   6  -1.794   1.396   2.494
   43    H    GLY   7           H        GLY   7  -1.484  -2.012  -1.532
   44    HA2  GLY   7           HA2      GLY   7  -2.255  -4.011   0.541
   45    HA3  GLY   7           HA3      GLY   7  -3.476  -3.328  -0.550
   46    H    HIS   8           H        HIS   8  -0.133  -4.201  -1.365
   47    HA   HIS   8           HA       HIS   8  -1.157  -6.540  -2.896
   48    HB2  HIS   8           HB2      HIS   8   0.807  -4.576  -4.091
   49    HB3  HIS   8           HB3      HIS   8  -0.049  -5.901  -4.899
   50    HD2  HIS   8           HD2      HIS   8  -0.259  -2.245  -4.898
   51    HE1  HIS   8           HE1      HIS   8  -4.312  -3.470  -5.150
   52    HE2  HIS   8           HE2      HIS   8  -2.720  -1.504  -5.434
   53    H    LEU   9           H        LEU   9   1.804  -4.695  -2.063
   54    HA   LEU   9           HA       LEU   9   3.533  -6.980  -2.240
   55    HB2  LEU   9           HB2      LEU   9   3.832  -4.246  -1.938
   56    HB3  LEU   9           HB3      LEU   9   4.382  -4.876  -0.381
   57    HG   LEU   9           HG       LEU   9   5.754  -6.514  -2.014
   58   HD11  LEU   9          HD11      LEU   9   4.837  -5.485  -4.057
   59   HD12  LEU   9          HD12      LEU   9   5.509  -3.913  -3.560
   60   HD13  LEU   9          HD13      LEU   9   6.600  -5.267  -3.941
   61   HD21  LEU   9          HD21      LEU   9   6.665  -5.091  -0.217
   62   HD22  LEU   9          HD22      LEU   9   6.585  -3.681  -1.301
   63   HD23  LEU   9          HD23      LEU   9   7.676  -5.035  -1.682
   64    H    MET  10           H        MET  10   1.501  -5.664   0.292
   65    HA   MET  10           HA       MET  10   2.705  -7.520   2.276
   66    HB2  MET  10           HB3      MET  10   0.503  -5.496   2.750
   67    HB3  MET  10           HB2      MET  10   1.536  -6.295   3.948
   68    HG2  MET  10           HG3      MET  10   2.939  -4.580   3.861
   69    HG3  MET  10           HG2      MET  10   3.271  -4.964   2.161
   70    HE1  MET  10           HE1      MET  10   2.349  -1.804   0.523
   71    HE2  MET  10           HE2      MET  10   2.636  -3.531   0.202
   72    HE3  MET  10           HE3      MET  10   3.747  -2.626   1.256
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1   7.552   0.724  -1.714
    2    H2   GLY   1           H2       GLY   1   6.228   1.403  -1.002
    3    H3   GLY   1           H3       GLY   1   6.470   1.574  -2.624
    4    HA2  GLY   1           HA2      GLY   1   7.903   2.799  -0.418
    5    HA3  GLY   1           HA3      GLY   1   8.614   2.686  -2.040
    6    H    ASN   2           H        ASN   2   5.172   2.955  -1.834
    7    HA   ASN   2           HA       ASN   2   5.362   5.881  -2.401
    8    HB2  ASN   2           HB3      ASN   2   4.906   4.095  -4.373
    9    HB3  ASN   2           HB2      ASN   2   3.246   4.304  -3.783
   10   HD21  ASN   2          HD21      ASN   2   2.130   6.171  -4.205
   11   HD22  ASN   2          HD22      ASN   2   2.774   7.486  -5.162
   12    H    HIS   3           H        HIS   3   2.998   6.806  -2.446
   13    HA   HIS   3           HA       HIS   3   1.992   6.551   0.213
   14    HB2  HIS   3           HB2      HIS   3   1.780   8.520  -1.401
   15    HB3  HIS   3           HB3      HIS   3   0.439   7.635  -2.147
   16    HD2  HIS   3           HD2      HIS   3  -0.051   6.863   1.413
   17    HE1  HIS   3           HE1      HIS   3  -1.918  10.643   0.924
   18    HE2  HIS   3           HE2      HIS   3  -1.687   8.627   2.466
   19    H    TRP   4           H        TRP   4   0.202   5.837  -2.811
   20    HA   TRP   4           HA       TRP   4  -1.560   4.020  -1.331
   21    HB2  TRP   4           HB2      TRP   4  -2.905   3.986  -3.240
   22    HB3  TRP   4           HB3      TRP   4  -2.246   5.631  -3.213
   23    HD1  TRP   4           HD1      TRP   4   0.574   5.114  -4.584
   24    HE1  TRP   4           HE1      TRP   4   0.726   4.491  -7.086
   25    HE3  TRP   4           HE3      TRP   4  -4.175   3.341  -5.223
   26    HZ2  TRP   4           HZ2      TRP   4  -0.969   3.397  -9.042
   27    HZ3  TRP   4           HZ3      TRP   4  -4.841   2.522  -7.448
   28    HH2  TRP   4           HH2      TRP   4  -3.257   2.547  -9.331
   29    H    ALA   5           H        ALA   5  -2.150   2.066  -3.143
   30    HA   ALA   5           HA       ALA   5  -1.483  -0.013  -3.864
   31    HB1  ALA   5           HB1      ALA   5   0.210  -0.026  -5.345
   32    HB2  ALA   5           HB2      ALA   5   0.322   1.718  -5.004
   33    HB3  ALA   5           HB3      ALA   5   1.385   0.574  -4.149
   34    H    VAL   6           H        VAL   6  -1.399   0.723  -1.046
   35    HA   VAL   6           HA       VAL   6   0.881  -0.870  -0.022
   36    HB   VAL   6           HB       VAL   6   0.220  -0.115   2.184
   37   HG11  VAL   6          HG11      VAL   6   1.600   1.387   0.808
   38   HG12  VAL   6          HG12      VAL   6   0.126   2.181   0.205
   39   HG13  VAL   6          HG13      VAL   6   0.554   2.290   1.929
   40   HG21  VAL   6          HG21      VAL   6  -2.220  -0.204   1.856
   41   HG22  VAL   6          HG22      VAL   6  -1.700   1.351   2.548
   42   HG23  VAL   6          HG23      VAL   6  -2.129   1.243   0.824
   43    H    GLY   7           H        GLY   7  -1.488  -1.996  -1.523
   44    HA2  GLY   7           HA2      GLY   7  -2.197  -3.993   0.577
   45    HA3  GLY   7           HA3      GLY   7  -3.445  -3.320  -0.490
   46    H    HIS   8           H        HIS   8  -0.116  -4.189  -1.372
   47    HA   HIS   8           HA       HIS   8  -1.166  -6.537  -2.869
   48    HB2  HIS   8           HB2      HIS   8   0.766  -4.574  -4.119
   49    HB3  HIS   8           HB3      HIS   8  -0.103  -5.907  -4.900
   50    HD2  HIS   8           HD2      HIS   8  -0.325  -2.252  -4.915
   51    HE1  HIS   8           HE1      HIS   8  -4.379  -3.493  -5.074
   52    HE2  HIS   8           HE2      HIS   8  -2.799  -1.521  -5.400
   53    H    LEU   9           H        LEU   9   1.825  -4.682  -2.167
   54    HA   LEU   9           HA       LEU   9   3.557  -6.946  -2.361
   55    HB2  LEU   9           HB2      LEU   9   3.839  -4.215  -2.030
   56    HB3  LEU   9           HB3      LEU   9   4.417  -4.858  -0.488
   57    HG   LEU   9           HG       LEU   9   5.768  -6.465  -2.183
   58   HD11  LEU   9          HD11      LEU   9   4.835  -5.364  -4.180
   59   HD12  LEU   9          HD12      LEU   9   6.599  -5.154  -4.072
   60   HD13  LEU   9          HD13      LEU   9   5.515  -3.812  -3.636
   61   HD21  LEU   9          HD21      LEU   9   6.695  -5.110  -0.345
   62   HD22  LEU   9          HD22      LEU   9   7.695  -5.004  -1.814
   63   HD23  LEU   9          HD23      LEU   9   6.611  -3.662  -1.378
   64    H    MET  10           H        MET  10   1.981  -5.366   0.425
   65    HA   MET  10           HA       MET  10   2.549  -7.850   1.987
   66    HB2  MET  10           HB3      MET  10   2.839  -6.483   3.996
   67    HB3  MET  10           HB2      MET  10   4.028  -6.059   2.752
   68    HG2  MET  10           HG2      MET  10   1.508  -4.481   2.804
   69    HG3  MET  10           HG3      MET  10   2.649  -4.228   4.139
   70    HE1  MET  10           HE1      MET  10   2.736  -2.112   0.274
   71    HE2  MET  10           HE2      MET  10   1.549  -2.261   1.592
   72    HE3  MET  10           HE3      MET  10   1.779  -3.603   0.446
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  10.642   6.442  -0.750
    2    H2   GLY   1           H2       GLY   1   9.924   6.692  -2.213
    3    H3   GLY   1           H3       GLY   1   9.659   7.748  -0.973
    4    HA2  GLY   1           HA2      GLY   1   8.892   4.936  -0.942
    5    HA3  GLY   1           HA3      GLY   1   8.494   6.164   0.275
    6    H    ASN   2           H        ASN   2   6.507   4.657  -0.873
    7    HA   ASN   2           HA       ASN   2   5.241   6.561  -2.798
    8    HB2  ASN   2           HB2      ASN   2   3.880   4.707  -3.571
    9    HB3  ASN   2           HB3      ASN   2   5.596   4.266  -3.670
   10   HD21  ASN   2          HD21      ASN   2   6.410   2.610  -2.402
   11   HD22  ASN   2          HD22      ASN   2   5.395   1.573  -1.424
   12    H    HIS   3           H        HIS   3   2.684   6.140  -2.666
   13    HA   HIS   3           HA       HIS   3   1.983   6.563   0.210
   14    HB2  HIS   3           HB2      HIS   3   1.779   8.537  -1.354
   15    HB3  HIS   3           HB3      HIS   3   0.504   7.646  -2.202
   16    HD2  HIS   3           HD2      HIS   3  -0.878   6.559   0.727
   17    HE1  HIS   3           HE1      HIS   3  -1.606  10.713   1.191
   18    HE2  HIS   3           HE2      HIS   3  -2.264   8.388   2.003
   19    H    TRP   4           H        TRP   4   0.204   5.836  -2.815
   20    HA   TRP   4           HA       TRP   4  -1.560   4.021  -1.330
   21    HB2  TRP   4           HB2      TRP   4  -2.906   3.985  -3.242
   22    HB3  TRP   4           HB3      TRP   4  -2.248   5.631  -3.216
   23    HD1  TRP   4           HD1      TRP   4   0.575   5.112  -4.588
   24    HE1  TRP   4           HE1      TRP   4   0.722   4.492  -7.088
   25    HE3  TRP   4           HE3      TRP   4  -4.177   3.340  -5.222
   26    HZ2  TRP   4           HZ2      TRP   4  -0.972   3.393  -9.042
   27    HZ3  TRP   4           HZ3      TRP   4  -4.844   2.518  -7.445
   28    HH2  TRP   4           HH2      TRP   4  -3.260   2.544  -9.329
   29    H    ALA   5           H        ALA   5  -2.150   2.065  -3.140
   30    HA   ALA   5           HA       ALA   5  -1.484  -0.014  -3.861
   31    HB1  ALA   5           HB1      ALA   5   0.210  -0.028  -5.344
   32    HB2  ALA   5           HB2      ALA   5   0.322   1.716  -5.005
   33    HB3  ALA   5           HB3      ALA   5   1.385   0.573  -4.149
   34    H    VAL   6           H        VAL   6  -1.404   0.717  -1.047
   35    HA   VAL   6           HA       VAL   6   0.880  -0.871  -0.021
   36    HB   VAL   6           HB       VAL   6   0.158  -0.138   2.200
   37   HG11  VAL   6          HG11      VAL   6   1.668   1.294   0.884
   38   HG12  VAL   6          HG12      VAL   6   0.261   2.163   0.226
   39   HG13  VAL   6          HG13      VAL   6   0.624   2.248   1.966
   40   HG21  VAL   6          HG21      VAL   6  -2.268  -0.104   1.774
   41   HG22  VAL   6          HG22      VAL   6  -2.062   1.338   0.751
   42   HG23  VAL   6          HG23      VAL   6  -1.699   1.423   2.491
   43    H    GLY   7           H        GLY   7  -1.485  -1.999  -1.522
   44    HA2  GLY   7           HA2      GLY   7  -2.195  -3.995   0.578
   45    HA3  GLY   7           HA3      GLY   7  -3.444  -3.322  -0.489
   46    H    HIS   8           H        HIS   8  -0.115  -4.191  -1.374
   47    HA   HIS   8           HA       HIS   8  -1.168  -6.538  -2.869
   48    HB2  HIS   8           HB3      HIS   8   0.768  -4.582  -4.129
   49    HB3  HIS   8           HB2      HIS   8  -0.119  -5.911  -4.898
   50    HD2  HIS   8           HD2      HIS   8  -0.330  -2.250  -4.912
   51    HE1  HIS   8           HE1      HIS   8  -4.382  -3.494  -5.069
   52    HE2  HIS   8           HE2      HIS   8  -2.805  -1.523  -5.399
   53    H    LEU   9           H        LEU   9   1.821  -4.682  -2.160
   54    HA   LEU   9           HA       LEU   9   3.554  -6.948  -2.359
   55    HB2  LEU   9           HB2      LEU   9   3.837  -4.217  -2.036
   56    HB3  LEU   9           HB3      LEU   9   4.418  -4.855  -0.493
   57    HG   LEU   9           HG       LEU   9   5.775  -6.466  -2.166
   58   HD11  LEU   9          HD11      LEU   9   4.820  -5.418  -4.181
   59   HD12  LEU   9          HD12      LEU   9   5.486  -3.848  -3.674
   60   HD13  LEU   9          HD13      LEU   9   6.583  -5.187  -4.089
   61   HD21  LEU   9          HD21      LEU   9   6.702  -5.060  -0.365
   62   HD22  LEU   9          HD22      LEU   9   6.594  -3.637  -1.428
   63   HD23  LEU   9          HD23      LEU   9   7.691  -4.976  -1.844
   64    H    MET  10           H        MET  10   2.123  -5.292   0.476
   65    HA   MET  10           HA       MET  10   2.679  -7.781   2.037
   66    HB2  MET  10           HB3      MET  10   2.860  -6.347   4.042
   67    HB3  MET  10           HB2      MET  10   4.103  -5.989   2.830
   68    HG2  MET  10           HG2      MET  10   1.595  -4.386   2.729
   69    HG3  MET  10           HG3      MET  10   2.707  -4.080   4.077
   70    HE1  MET  10           HE1      MET  10   2.898  -2.093   0.166
   71    HE2  MET  10           HE2      MET  10   1.891  -3.545   0.374
   72    HE3  MET  10           HE3      MET  10   1.707  -2.167   1.486
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1   9.572   7.139  -2.922
    2    H2   GLY   1           H2       GLY   1   8.711   6.990  -4.321
    3    H3   GLY   1           H3       GLY   1   8.738   5.751  -3.233
    4    HA2  GLY   1           HA3      GLY   1   7.610   7.064  -1.619
    5    HA3  GLY   1           HA2      GLY   1   7.581   8.392  -2.795
    6    H    ASN   2           H        ASN   2   6.149   5.409  -1.766
    7    HA   ASN   2           HA       ASN   2   4.078   5.744  -3.896
    8    HB2  ASN   2           HB2      ASN   2   3.740   3.224  -3.623
    9    HB3  ASN   2           HB3      ASN   2   5.190   3.752  -4.499
   10   HD21  ASN   2          HD21      ASN   2   6.066   1.628  -4.025
   11   HD22  ASN   2          HD22      ASN   2   6.775   1.313  -2.457
   12    H    HIS   3           H        HIS   3   2.900   7.073  -2.427
   13    HA   HIS   3           HA       HIS   3   2.158   6.396   0.195
   14    HB2  HIS   3           HB2      HIS   3   1.718   8.534  -1.199
   15    HB3  HIS   3           HB3      HIS   3   0.239   7.712  -1.722
   16    HD2  HIS   3           HD2      HIS   3   0.573   6.662   1.809
   17    HE1  HIS   3           HE1      HIS   3  -1.436  10.393   2.011
   18    HE2  HIS   3           HE2      HIS   3  -0.821   8.296   3.320
   19    H    TRP   4           H        TRP   4   0.206   5.858  -2.771
   20    HA   TRP   4           HA       TRP   4  -1.553   4.023  -1.324
   21    HB2  TRP   4           HB2      TRP   4  -2.874   3.991  -3.252
   22    HB3  TRP   4           HB3      TRP   4  -2.213   5.636  -3.216
   23    HD1  TRP   4           HD1      TRP   4   0.624   5.113  -4.550
   24    HE1  TRP   4           HE1      TRP   4   0.807   4.494  -7.050
   25    HE3  TRP   4           HE3      TRP   4  -4.122   3.353  -5.252
   26    HZ2  TRP   4           HZ2      TRP   4  -0.866   3.402  -9.028
   27    HZ3  TRP   4           HZ3      TRP   4  -4.760   2.534  -7.486
   28    HH2  TRP   4           HH2      TRP   4  -3.151   2.561  -9.348
   29    H    ALA   5           H        ALA   5  -2.126   2.072  -3.146
   30    HA   ALA   5           HA       ALA   5  -1.453  -0.009  -3.860
   31    HB1  ALA   5           HB1      ALA   5   0.259  -0.026  -5.319
   32    HB2  ALA   5           HB2      ALA   5   0.371   1.717  -4.977
   33    HB3  ALA   5           HB3      ALA   5   1.420   0.570  -4.108
   34    H    VAL   6           H        VAL   6  -1.414   0.714  -1.044
   35    HA   VAL   6           HA       VAL   6   0.853  -0.879   0.012
   36    HB   VAL   6           HB       VAL   6   0.105  -0.150   2.223
   37   HG11  VAL   6          HG11      VAL   6   1.620   1.296   0.926
   38   HG12  VAL   6          HG12      VAL   6   0.215   2.157   0.253
   39   HG13  VAL   6          HG13      VAL   6   0.559   2.241   1.998
   40   HG21  VAL   6          HG21      VAL   6  -2.316  -0.127   1.771
   41   HG22  VAL   6          HG22      VAL   6  -1.763   1.401   2.497
   42   HG23  VAL   6          HG23      VAL   6  -2.107   1.317   0.753
   43    H    GLY   7           H        GLY   7  -1.488  -2.005  -1.529
   44    HA2  GLY   7           HA2      GLY   7  -2.228  -4.003   0.556
   45    HA3  GLY   7           HA3      GLY   7  -3.462  -3.328  -0.525
   46    H    HIS   8           H        HIS   8  -0.124  -4.195  -1.368
   47    HA   HIS   8           HA       HIS   8  -1.154  -6.538  -2.885
   48    HB2  HIS   8           HB2      HIS   8   0.793  -4.572  -4.104
   49    HB3  HIS   8           HB3      HIS   8  -0.067  -5.901  -4.900
   50    HD2  HIS   8           HD2      HIS   8  -0.287  -2.244  -4.902
   51    HE1  HIS   8           HE1      HIS   8  -4.338  -3.484  -5.118
   52    HE2  HIS   8           HE2      HIS   8  -2.754  -1.512  -5.417
   53    H    LEU   9           H        LEU   9   1.818  -4.684  -2.108
   54    HA   LEU   9           HA       LEU   9   3.552  -6.955  -2.292
   55    HB2  LEU   9           HB2      LEU   9   3.837  -4.223  -1.973
   56    HB3  LEU   9           HB3      LEU   9   4.399  -4.859  -0.423
   57    HG   LEU   9           HG       LEU   9   5.785  -6.474  -2.047
   58   HD11  LEU   9          HD11      LEU   9   4.829  -5.501  -4.099
   59   HD12  LEU   9          HD12      LEU   9   6.588  -5.249  -4.006
   60   HD13  LEU   9          HD13      LEU   9   5.477  -3.908  -3.639
   61   HD21  LEU   9          HD21      LEU   9   6.689  -5.003  -0.287
   62   HD22  LEU   9          HD22      LEU   9   7.683  -4.955  -1.762
   63   HD23  LEU   9          HD23      LEU   9   6.572  -3.615  -1.395
   64    H    MET  10           H        MET  10   1.681  -5.535   0.350
   65    HA   MET  10           HA       MET  10   2.908  -7.274   2.358
   66    HB2  MET  10           HB3      MET  10   0.479  -5.455   2.473
   67    HB3  MET  10           HB2      MET  10   1.176  -6.317   3.857
   68    HG2  MET  10           HG2      MET  10   2.571  -4.634   4.208
   69    HG3  MET  10           HG3      MET  10   3.293  -4.893   2.608
   70    HE1  MET  10           HE1      MET  10   2.257  -1.967   0.573
   71    HE2  MET  10           HE2      MET  10   3.637  -2.887   1.218
   72    HE3  MET  10           HE3      MET  10   2.319  -3.734   0.372
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   9.733   7.711  -0.882
    2    H2   GLY   1           H2       GLY   1   8.121   7.789  -0.543
    3    H3   GLY   1           H3       GLY   1   8.718   8.537  -1.886
    4    HA2  GLY   1           HA3      GLY   1   9.338   6.461  -2.840
    5    HA3  GLY   1           HA2      GLY   1   8.690   5.662  -1.395
    6    H    ASN   2           H        ASN   2   6.545   5.258  -1.220
    7    HA   ASN   2           HA       ASN   2   4.758   6.434  -3.292
    8    HB2  ASN   2           HB2      ASN   2   3.808   4.310  -3.843
    9    HB3  ASN   2           HB3      ASN   2   5.567   4.163  -4.017
   10   HD21  ASN   2          HD21      ASN   2   6.666   2.661  -2.835
   11   HD22  ASN   2          HD22      ASN   2   5.921   1.608  -1.654
   12    H    HIS   3           H        HIS   3   2.570   6.556  -2.731
   13    HA   HIS   3           HA       HIS   3   2.121   6.421   0.204
   14    HB2  HIS   3           HB3      HIS   3   1.704   8.506  -1.347
   15    HB3  HIS   3           HB2      HIS   3   0.201   7.655  -1.746
   16    HD2  HIS   3           HD2      HIS   3   1.185   7.206   1.932
   17    HE1  HIS   3           HE1      HIS   3  -1.697  10.313   1.781
   18    HE2  HIS   3           HE2      HIS   3  -0.410   8.749   3.328
   19    H    TRP   4           H        TRP   4   0.187   5.864  -2.770
   20    HA   TRP   4           HA       TRP   4  -1.563   4.020  -1.325
   21    HB2  TRP   4           HB2      TRP   4  -2.886   3.987  -3.252
   22    HB3  TRP   4           HB3      TRP   4  -2.228   5.633  -3.214
   23    HD1  TRP   4           HD1      TRP   4   0.608   5.117  -4.553
   24    HE1  TRP   4           HE1      TRP   4   0.788   4.501  -7.055
   25    HE3  TRP   4           HE3      TRP   4  -4.135   3.347  -5.248
   26    HZ2  TRP   4           HZ2      TRP   4  -0.887   3.407  -9.031
   27    HZ3  TRP   4           HZ3      TRP   4  -4.777   2.531  -7.480
   28    HH2  TRP   4           HH2      TRP   4  -3.171   2.560  -9.346
   29    H    ALA   5           H        ALA   5  -2.133   2.067  -3.144
   30    HA   ALA   5           HA       ALA   5  -1.458  -0.010  -3.865
   31    HB1  ALA   5           HB1      ALA   5   0.252  -0.020  -5.328
   32    HB2  ALA   5           HB2      ALA   5   0.360   1.722  -4.983
   33    HB3  ALA   5           HB3      ALA   5   1.413   0.577  -4.119
   34    H    VAL   6           H        VAL   6  -1.408   0.718  -1.046
   35    HA   VAL   6           HA       VAL   6   0.862  -0.875   0.002
   36    HB   VAL   6           HB       VAL   6   0.128  -0.144   2.214
   37   HG11  VAL   6          HG11      VAL   6   1.626   1.308   0.906
   38   HG12  VAL   6          HG12      VAL   6   0.567   2.249   1.985
   39   HG13  VAL   6          HG13      VAL   6   0.211   2.161   0.243
   40   HG21  VAL   6          HG21      VAL   6  -1.744   1.441   2.468
   41   HG22  VAL   6          HG22      VAL   6  -2.121   1.262   0.738
   42   HG23  VAL   6          HG23      VAL   6  -2.286  -0.131   1.833
   43    H    GLY   7           H        GLY   7  -1.493  -1.996  -1.527
   44    HA2  GLY   7           HA3      GLY   7  -2.234  -3.995   0.561
   45    HA3  GLY   7           HA2      GLY   7  -3.458  -3.318  -0.530
   46    H    HIS   8           H        HIS   8  -0.121  -4.191  -1.366
   47    HA   HIS   8           HA       HIS   8  -1.155  -6.535  -2.880
   48    HB2  HIS   8           HB2      HIS   8   0.793  -4.570  -4.101
   49    HB3  HIS   8           HB3      HIS   8  -0.067  -5.901  -4.896
   50    HD2  HIS   8           HD2      HIS   8  -0.287  -2.245  -4.901
   51    HE1  HIS   8           HE1      HIS   8  -4.339  -3.487  -5.119
   52    HE2  HIS   8           HE2      HIS   8  -2.755  -1.513  -5.420
   53    H    LEU   9           H        LEU   9   1.826  -4.684  -2.130
   54    HA   LEU   9           HA       LEU   9   3.561  -6.950  -2.311
   55    HB2  LEU   9           HB2      LEU   9   3.840  -4.219  -1.977
   56    HB3  LEU   9           HB3      LEU   9   4.399  -4.861  -0.429
   57    HG   LEU   9           HG       LEU   9   5.762  -6.471  -2.123
   58   HD11  LEU   9          HD11      LEU   9   4.865  -5.334  -4.117
   59   HD12  LEU   9          HD12      LEU   9   5.548  -3.795  -3.540
   60   HD13  LEU   9          HD13      LEU   9   6.629  -5.138  -3.982
   61   HD21  LEU   9          HD21      LEU   9   6.674  -5.149  -0.254
   62   HD22  LEU   9          HD22      LEU   9   7.694  -5.030  -1.709
   63   HD23  LEU   9          HD23      LEU   9   6.613  -3.686  -1.267
   64    H    MET  10           H        MET  10   1.890  -5.406   0.433
   65    HA   MET  10           HA       MET  10   2.444  -7.885   2.002
   66    HB2  MET  10           HB3      MET  10   2.757  -6.546   4.018
   67    HB3  MET  10           HB2      MET  10   3.945  -6.104   2.778
   68    HG2  MET  10           HG2      MET  10   1.434  -4.519   2.837
   69    HG3  MET  10           HG3      MET  10   2.547  -4.300   4.201
   70    HE1  MET  10           HE1      MET  10   2.716  -2.075   0.408
   71    HE2  MET  10           HE2      MET  10   1.512  -2.251   1.707
   72    HE3  MET  10           HE3      MET  10   1.740  -3.559   0.522
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   9.880   4.626   0.387
    2    H2   GLY   1           H2       GLY   1   9.604   5.822  -0.715
    3    H3   GLY   1           H3       GLY   1   8.546   5.586   0.527
    4    HA2  GLY   1           HA2      GLY   1   9.097   3.709  -1.636
    5    HA3  GLY   1           HA3      GLY   1   7.960   3.446  -0.300
    6    H    ASN   2           H        ASN   2   5.914   3.774  -0.804
    7    HA   ASN   2           HA       ASN   2   5.243   6.033  -2.619
    8    HB2  ASN   2           HB2      ASN   2   4.478   3.130  -2.986
    9    HB3  ASN   2           HB3      ASN   2   3.500   4.445  -3.668
   10   HD21  ASN   2          HD21      ASN   2   5.914   2.269  -4.327
   11   HD22  ASN   2          HD22      ASN   2   6.708   3.100  -5.645
   12    H    HIS   3           H        HIS   3   2.941   6.601  -2.564
   13    HA   HIS   3           HA       HIS   3   1.990   6.582   0.189
   14    HB2  HIS   3           HB2      HIS   3   1.801   8.554  -1.295
   15    HB3  HIS   3           HB3      HIS   3   0.676   7.655  -2.327
   16    HD2  HIS   3           HD2      HIS   3  -0.308   6.764   1.157
   17    HE1  HIS   3           HE1      HIS   3  -2.478  10.303   0.283
   18    HE2  HIS   3           HE2      HIS   3  -2.274   8.338   1.892
   19    H    TRP   4           H        TRP   4   0.203   5.842  -2.826
   20    HA   TRP   4           HA       TRP   4  -1.557   4.039  -1.328
   21    HB2  TRP   4           HB3      TRP   4  -2.918   4.010  -3.231
   22    HB3  TRP   4           HB2      TRP   4  -2.234   5.645  -3.220
   23    HD1  TRP   4           HD1      TRP   4   0.567   5.102  -4.599
   24    HE1  TRP   4           HE1      TRP   4   0.704   4.468  -7.096
   25    HE3  TRP   4           HE3      TRP   4  -4.196   3.352  -5.206
   26    HZ2  TRP   4           HZ2      TRP   4  -1.007   3.371  -9.039
   27    HZ3  TRP   4           HZ3      TRP   4  -4.876   2.524  -7.422
   28    HH2  TRP   4           HH2      TRP   4  -3.300   2.532  -9.312
   29    H    ALA   5           H        ALA   5  -2.166   2.078  -3.126
   30    HA   ALA   5           HA       ALA   5  -1.514  -0.009  -3.840
   31    HB1  ALA   5           HB1      ALA   5   0.173  -0.038  -5.329
   32    HB2  ALA   5           HB2      ALA   5   0.295   1.707  -4.999
   33    HB3  ALA   5           HB3      ALA   5   1.356   0.562  -4.143
   34    H    VAL   6           H        VAL   6  -1.437   0.714  -1.034
   35    HA   VAL   6           HA       VAL   6   0.853  -0.859  -0.001
   36    HB   VAL   6           HB       VAL   6   0.165  -0.120   2.206
   37   HG11  VAL   6          HG11      VAL   6   1.549   1.397   0.848
   38   HG12  VAL   6          HG12      VAL   6   0.075   2.182   0.232
   39   HG13  VAL   6          HG13      VAL   6   0.484   2.290   1.961
   40   HG21  VAL   6          HG21      VAL   6  -1.768   1.376   2.521
   41   HG22  VAL   6          HG22      VAL   6  -2.194   1.175   0.805
   42   HG23  VAL   6          HG23      VAL   6  -2.256  -0.222   1.907
   43    H    GLY   7           H        GLY   7  -1.507  -1.998  -1.516
   44    HA2  GLY   7           HA3      GLY   7  -2.207  -4.012   0.573
   45    HA3  GLY   7           HA2      GLY   7  -3.447  -3.346  -0.507
   46    H    HIS   8           H        HIS   8  -0.107  -4.182  -1.371
   47    HA   HIS   8           HA       HIS   8  -1.131  -6.530  -2.886
   48    HB2  HIS   8           HB2      HIS   8   0.789  -4.541  -4.113
   49    HB3  HIS   8           HB3      HIS   8  -0.061  -5.878  -4.908
   50    HD2  HIS   8           HD2      HIS   8  -0.323  -2.225  -4.900
   51    HE1  HIS   8           HE1      HIS   8  -4.362  -3.507  -5.089
   52    HE2  HIS   8           HE2      HIS   8  -2.801  -1.517  -5.398
   53    H    LEU   9           H        LEU   9   1.747  -4.654  -1.891
   54    HA   LEU   9           HA       LEU   9   3.480  -6.992  -2.107
   55    HB2  LEU   9           HB2      LEU   9   3.839  -4.241  -2.049
   56    HB3  LEU   9           HB3      LEU   9   4.473  -4.767  -0.486
   57    HG   LEU   9           HG       LEU   9   5.708  -6.552  -2.070
   58   HD11  LEU   9          HD11      LEU   9   4.684  -5.657  -4.125
   59   HD12  LEU   9          HD12      LEU   9   5.415  -4.069  -3.791
   60   HD13  LEU   9          HD13      LEU   9   6.454  -5.472  -4.134
   61   HD21  LEU   9          HD21      LEU   9   6.756  -5.022  -0.446
   62   HD22  LEU   9          HD22      LEU   9   6.635  -3.695  -1.626
   63   HD23  LEU   9          HD23      LEU   9   7.674  -5.098  -1.969
   64    H    MET  10           H        MET  10   1.545  -5.453   0.358
   65    HA   MET  10           HA       MET  10   2.595  -7.447   2.324
   66    HB2  MET  10           HB3      MET  10   1.972  -5.796   4.096
   67    HB3  MET  10           HB2      MET  10   3.302  -5.275   3.046
   68    HG2  MET  10           HG3      MET  10   0.971  -4.305   1.818
   69    HG3  MET  10           HG2      MET  10   0.749  -4.014   3.554
   70    HE1  MET  10           HE1      MET  10   3.535  -3.163   0.523
   71    HE2  MET  10           HE2      MET  10   2.905  -1.506   0.671
   72    HE3  MET  10           HE3      MET  10   1.782  -2.866   0.429
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   7.724  10.530  -3.810
    2    H2   GLY   1           H2       GLY   1   6.119  10.338  -3.482
    3    H3   GLY   1           H3       GLY   1   7.216   9.253  -2.899
    4    HA2  GLY   1           HA2      GLY   1   6.998   9.695  -5.747
    5    HA3  GLY   1           HA3      GLY   1   7.584   8.265  -4.875
    6    H    ASN   2           H        ASN   2   5.630   7.675  -3.118
    7    HA   ASN   2           HA       ASN   2   2.967   7.839  -4.149
    8    HB2  ASN   2           HB2      ASN   2   2.654   5.606  -5.023
    9    HB3  ASN   2           HB3      ASN   2   3.943   6.412  -5.939
   10   HD21  ASN   2          HD21      ASN   2   3.400   3.539  -5.638
   11   HD22  ASN   2          HD22      ASN   2   4.841   2.842  -4.933
   12    H    HIS   3           H        HIS   3   1.600   7.380  -2.552
   13    HA   HIS   3           HA       HIS   3   2.708   5.921  -0.198
   14    HB2  HIS   3           HB3      HIS   3   0.706   8.121  -0.547
   15    HB3  HIS   3           HB2      HIS   3   0.512   7.006   0.816
   16    HD2  HIS   3           HD2      HIS   3   3.944   6.875   1.220
   17    HE1  HIS   3           HE1      HIS   3   3.247  10.887   2.411
   18    HE2  HIS   3           HE2      HIS   3   4.913   8.960   2.487
   19    H    TRP   4           H        TRP   4   0.234   5.898  -2.652
   20    HA   TRP   4           HA       TRP   4  -1.503   4.001  -1.318
   21    HB2  TRP   4           HB2      TRP   4  -2.768   4.000  -3.283
   22    HB3  TRP   4           HB3      TRP   4  -2.090   5.637  -3.216
   23    HD1  TRP   4           HD1      TRP   4   0.778   5.092  -4.473
   24    HE1  TRP   4           HE1      TRP   4   1.025   4.487  -6.970
   25    HE3  TRP   4           HE3      TRP   4  -3.964   3.383  -5.320
   26    HZ2  TRP   4           HZ2      TRP   4  -0.601   3.424  -9.002
   27    HZ3  TRP   4           HZ3      TRP   4  -4.546   2.587  -7.576
   28    HH2  TRP   4           HH2      TRP   4  -2.885   2.608  -9.392
   29    H    ALA   5           H        ALA   5  -2.040   2.068  -3.166
   30    HA   ALA   5           HA       ALA   5  -1.370  -0.014  -3.876
   31    HB1  ALA   5           HB1      ALA   5   0.380  -0.036  -5.290
   32    HB2  ALA   5           HB2      ALA   5   0.499   1.703  -4.933
   33    HB3  ALA   5           HB3      ALA   5   1.514   0.541  -4.046
   34    H    VAL   6           H        VAL   6  -1.378   0.713  -1.050
   35    HA   VAL   6           HA       VAL   6   0.839  -0.922   0.048
   36    HB   VAL   6           HB       VAL   6   0.105  -0.169   2.234
   37   HG11  VAL   6          HG11      VAL   6   1.565   1.317   0.921
   38   HG12  VAL   6          HG12      VAL   6   0.129   2.140   0.265
   39   HG13  VAL   6          HG13      VAL   6   0.491   2.233   2.005
   40   HG21  VAL   6          HG21      VAL   6  -2.323  -0.212   1.811
   41   HG22  VAL   6          HG22      VAL   6  -2.165   1.237   0.790
   42   HG23  VAL   6          HG23      VAL   6  -1.803   1.331   2.530
   43    H    GLY   7           H        GLY   7  -1.496  -1.999  -1.544
   44    HA2  GLY   7           HA3      GLY   7  -2.320  -3.994   0.520
   45    HA3  GLY   7           HA2      GLY   7  -3.504  -3.297  -0.603
   46    H    HIS   8           H        HIS   8  -0.159  -4.220  -1.349
   47    HA   HIS   8           HA       HIS   8  -1.189  -6.542  -2.900
   48    HB2  HIS   8           HB2      HIS   8   0.824  -4.604  -4.055
   49    HB3  HIS   8           HB3      HIS   8  -0.031  -5.920  -4.880
   50    HD2  HIS   8           HD2      HIS   8  -0.198  -2.261  -4.883
   51    HE1  HIS   8           HE1      HIS   8  -4.259  -3.437  -5.218
   52    HE2  HIS   8           HE2      HIS   8  -2.639  -1.490  -5.468
   53    H    LEU   9           H        LEU   9   1.780  -4.738  -2.004
   54    HA   LEU   9           HA       LEU   9   3.473  -7.056  -2.147
   55    HB2  LEU   9           HB2      LEU   9   3.817  -4.325  -1.861
   56    HB3  LEU   9           HB3      LEU   9   4.337  -4.954  -0.294
   57    HG   LEU   9           HG       LEU   9   5.687  -6.627  -1.926
   58   HD11  LEU   9          HD11      LEU   9   4.838  -5.531  -3.964
   59   HD12  LEU   9          HD12      LEU   9   5.545  -3.990  -3.423
   60   HD13  LEU   9          HD13      LEU   9   6.603  -5.367  -3.812
   61   HD21  LEU   9          HD21      LEU   9   6.603  -5.270  -0.086
   62   HD22  LEU   9          HD22      LEU   9   7.642  -5.214  -1.529
   63   HD23  LEU   9          HD23      LEU   9   6.585  -3.836  -1.141
   64    H    MET  10           H        MET  10   1.763  -5.424   0.516
   65    HA   MET  10           HA       MET  10   2.219  -7.874   2.152
   66    HB2  MET  10           HB3      MET  10   2.540  -6.501   4.147
   67    HB3  MET  10           HB2      MET  10   3.776  -6.154   2.926
   68    HG2  MET  10           HG2      MET  10   1.351  -4.442   2.875
   69    HG3  MET  10           HG3      MET  10   2.432  -4.243   4.267
   70    HE1  MET  10           HE1      MET  10   2.828  -2.116   0.439
   71    HE2  MET  10           HE2      MET  10   1.584  -2.197   1.710
   72    HE3  MET  10           HE3      MET  10   1.766  -3.540   0.556
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1   8.143   9.657  -5.303
    2    H2   GLY   1           H2       GLY   1   6.728   9.675  -6.149
    3    H3   GLY   1           H3       GLY   1   7.284   8.263  -5.501
    4    HA2  GLY   1           HA3      GLY   1   7.029   9.103  -3.303
    5    HA3  GLY   1           HA2      GLY   1   6.428  10.617  -4.006
    6    H    ASN   2           H        ASN   2   5.802   7.114  -3.814
    7    HA   ASN   2           HA       ASN   2   2.903   7.735  -4.208
    8    HB2  ASN   2           HB3      ASN   2   2.676   5.387  -4.989
    9    HB3  ASN   2           HB2      ASN   2   3.735   6.368  -6.022
   10   HD21  ASN   2          HD21      ASN   2   3.409   3.451  -4.362
   11   HD22  ASN   2          HD22      ASN   2   5.084   2.948  -4.375
   12    H    HIS   3           H        HIS   3   1.651   7.471  -2.500
   13    HA   HIS   3           HA       HIS   3   2.711   5.918  -0.201
   14    HB2  HIS   3           HB2      HIS   3   0.718   8.121  -0.550
   15    HB3  HIS   3           HB3      HIS   3   0.504   7.009   0.812
   16    HD2  HIS   3           HD2      HIS   3   3.945   6.873   1.219
   17    HE1  HIS   3           HE1      HIS   3   3.246  10.884   2.411
   18    HE2  HIS   3           HE2      HIS   3   4.916   8.960   2.484
   19    H    TRP   4           H        TRP   4   0.227   5.903  -2.647
   20    HA   TRP   4           HA       TRP   4  -1.505   4.001  -1.318
   21    HB2  TRP   4           HB2      TRP   4  -2.769   4.001  -3.284
   22    HB3  TRP   4           HB3      TRP   4  -2.089   5.637  -3.217
   23    HD1  TRP   4           HD1      TRP   4   0.777   5.093  -4.471
   24    HE1  TRP   4           HE1      TRP   4   1.026   4.489  -6.968
   25    HE3  TRP   4           HE3      TRP   4  -3.962   3.385  -5.322
   26    HZ2  TRP   4           HZ2      TRP   4  -0.598   3.425  -9.002
   27    HZ3  TRP   4           HZ3      TRP   4  -4.544   2.586  -7.578
   28    HH2  TRP   4           HH2      TRP   4  -2.881   2.609  -9.392
   29    H    ALA   5           H        ALA   5  -2.040   2.068  -3.167
   30    HA   ALA   5           HA       ALA   5  -1.368  -0.014  -3.877
   31    HB1  ALA   5           HB1      ALA   5   0.383  -0.035  -5.290
   32    HB2  ALA   5           HB2      ALA   5   0.501   1.705  -4.931
   33    HB3  ALA   5           HB3      ALA   5   1.515   0.542  -4.044
   34    H    VAL   6           H        VAL   6  -1.379   0.712  -1.050
   35    HA   VAL   6           HA       VAL   6   0.838  -0.921   0.048
   36    HB   VAL   6           HB       VAL   6   0.058  -0.184   2.245
   37   HG11  VAL   6          HG11      VAL   6   1.610   1.250   0.980
   38   HG12  VAL   6          HG12      VAL   6   0.538   2.202   2.035
   39   HG13  VAL   6          HG13      VAL   6   0.226   2.126   0.284
   40   HG21  VAL   6          HG21      VAL   6  -2.354  -0.138   1.749
   41   HG22  VAL   6          HG22      VAL   6  -1.801   1.383   2.488
   42   HG23  VAL   6          HG23      VAL   6  -2.113   1.307   0.738
   43    H    GLY   7           H        GLY   7  -1.496  -1.999  -1.544
   44    HA2  GLY   7           HA3      GLY   7  -2.322  -3.993   0.519
   45    HA3  GLY   7           HA2      GLY   7  -3.505  -3.297  -0.605
   46    H    HIS   8           H        HIS   8  -0.158  -4.218  -1.349
   47    HA   HIS   8           HA       HIS   8  -1.189  -6.540  -2.899
   48    HB2  HIS   8           HB3      HIS   8   0.829  -4.610  -4.066
   49    HB3  HIS   8           HB2      HIS   8  -0.043  -5.922  -4.879
   50    HD2  HIS   8           HD2      HIS   8  -0.197  -2.260  -4.883
   51    HE1  HIS   8           HE1      HIS   8  -4.259  -3.439  -5.218
   52    HE2  HIS   8           HE2      HIS   8  -2.638  -1.488  -5.471
   53    H    LEU   9           H        LEU   9   1.790  -4.738  -2.033
   54    HA   LEU   9           HA       LEU   9   3.489  -7.043  -2.174
   55    HB2  LEU   9           HB3      LEU   9   3.817  -4.304  -1.838
   56    HB3  LEU   9           HB2      LEU   9   4.338  -4.977  -0.289
   57    HG   LEU   9           HG       LEU   9   5.707  -6.606  -1.915
   58   HD11  LEU   9          HD11      LEU   9   4.851  -5.534  -3.963
   59   HD12  LEU   9          HD12      LEU   9   5.539  -3.981  -3.431
   60   HD13  LEU   9          HD13      LEU   9   6.614  -5.349  -3.807
   61   HD21  LEU   9          HD21      LEU   9   6.603  -5.224  -0.082
   62   HD22  LEU   9          HD22      LEU   9   6.569  -3.799  -1.148
   63   HD23  LEU   9          HD23      LEU   9   7.645  -5.166  -1.524
   64    H    MET  10           H        MET  10   1.668  -5.511   0.459
   65    HA   MET  10           HA       MET  10   2.172  -7.956   2.084
   66    HB2  MET  10           HB3      MET  10   2.400  -6.564   4.108
   67    HB3  MET  10           HB2      MET  10   3.694  -6.268   2.934
   68    HG2  MET  10           HG2      MET  10   1.305  -4.504   2.776
   69    HG3  MET  10           HG3      MET  10   2.368  -4.298   4.181
   70    HE1  MET  10           HE1      MET  10   2.883  -2.313   0.277
   71    HE2  MET  10           HE2      MET  10   1.599  -2.333   1.509
   72    HE3  MET  10           HE3      MET  10   1.807  -3.724   0.418
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1   8.835   7.887  -1.255
    2    H2   GLY   1           H2       GLY   1   7.737   6.656  -1.233
    3    H3   GLY   1           H3       GLY   1   7.281   8.176  -0.783
    4    HA2  GLY   1           HA3      GLY   1   7.664   9.002  -2.969
    5    HA3  GLY   1           HA2      GLY   1   8.149   7.364  -3.447
    6    H    ASN   2           H        ASN   2   6.485   5.622  -2.975
    7    HA   ASN   2           HA       ASN   2   3.900   6.607  -4.024
    8    HB2  ASN   2           HB3      ASN   2   5.026   3.806  -3.681
    9    HB3  ASN   2           HB2      ASN   2   3.425   4.177  -4.352
   10   HD21  ASN   2          HD21      ASN   2   3.221   4.980  -6.431
   11   HD22  ASN   2          HD22      ASN   2   4.567   5.080  -7.544
   12    H    HIS   3           H        HIS   3   2.372   7.153  -2.639
   13    HA   HIS   3           HA       HIS   3   2.389   6.157   0.106
   14    HB2  HIS   3           HB2      HIS   3   0.842   8.148  -1.481
   15    HB3  HIS   3           HB3      HIS   3   0.038   7.448  -0.067
   16    HD2  HIS   3           HD2      HIS   3   2.878   7.419   1.790
   17    HE1  HIS   3           HE1      HIS   3   2.532  11.618   1.297
   18    HE2  HIS   3           HE2      HIS   3   3.630   9.773   2.671
   19    H    TRP   4           H        TRP   4   0.129   5.932  -2.668
   20    HA   TRP   4           HA       TRP   4  -1.570   4.014  -1.314
   21    HB2  TRP   4           HB3      TRP   4  -2.860   4.004  -3.266
   22    HB3  TRP   4           HB2      TRP   4  -2.182   5.641  -3.211
   23    HD1  TRP   4           HD1      TRP   4   0.670   5.127  -4.491
   24    HE1  TRP   4           HE1      TRP   4   0.901   4.522  -6.989
   25    HE3  TRP   4           HE3      TRP   4  -4.060   3.361  -5.294
   26    HZ2  TRP   4           HZ2      TRP   4  -0.731   3.437  -9.007
   27    HZ3  TRP   4           HZ3      TRP   4  -4.653   2.554  -7.545
   28    HH2  TRP   4           HH2      TRP   4  -3.007   2.591  -9.374
   29    H    ALA   5           H        ALA   5  -2.102   2.071  -3.158
   30    HA   ALA   5           HA       ALA   5  -1.412  -0.003  -3.869
   31    HB1  ALA   5           HB1      ALA   5   0.328  -0.008  -5.294
   32    HB2  ALA   5           HB2      ALA   5   1.464   0.584  -4.058
   33    HB3  ALA   5           HB3      ALA   5   0.430   1.733  -4.940
   34    H    VAL   6           H        VAL   6  -1.417   0.720  -1.045
   35    HA   VAL   6           HA       VAL   6   0.827  -0.883   0.042
   36    HB   VAL   6           HB       VAL   6   0.082  -0.146   2.236
   37   HG11  VAL   6          HG11      VAL   6   1.538   1.349   0.927
   38   HG12  VAL   6          HG12      VAL   6   0.099   2.163   0.267
   39   HG13  VAL   6          HG13      VAL   6   0.455   2.259   2.008
   40   HG21  VAL   6          HG21      VAL   6  -2.343  -0.201   1.805
   41   HG22  VAL   6          HG22      VAL   6  -1.834   1.345   2.526
   42   HG23  VAL   6          HG23      VAL   6  -2.190   1.249   0.785
   43    H    GLY   7           H        GLY   7  -1.500  -1.993  -1.540
   44    HA2  GLY   7           HA2      GLY   7  -2.278  -3.999   0.525
   45    HA3  GLY   7           HA3      GLY   7  -3.487  -3.322  -0.582
   46    H    HIS   8           H        HIS   8  -0.130  -4.190  -1.355
   47    HA   HIS   8           HA       HIS   8  -1.132  -6.529  -2.898
   48    HB2  HIS   8           HB2      HIS   8   0.844  -4.560  -4.067
   49    HB3  HIS   8           HB3      HIS   8   0.005  -5.890  -4.887
   50    HD2  HIS   8           HD2      HIS   8  -0.218  -2.236  -4.890
   51    HE1  HIS   8           HE1      HIS   8  -4.264  -3.474  -5.194
   52    HE2  HIS   8           HE2      HIS   8  -2.674  -1.501  -5.461
   53    H    LEU   9           H        LEU   9   1.794  -4.677  -1.970
   54    HA   LEU   9           HA       LEU   9   3.524  -6.981  -2.125
   55    HB2  LEU   9           HB2      LEU   9   3.835  -4.236  -1.878
   56    HB3  LEU   9           HB3      LEU   9   4.398  -4.849  -0.319
   57    HG   LEU   9           HG       LEU   9   5.802  -6.495  -1.824
   58   HD11  LEU   9          HD11      LEU   9   4.764  -5.785  -3.944
   59   HD12  LEU   9          HD12      LEU   9   5.373  -4.134  -3.683
   60   HD13  LEU   9          HD13      LEU   9   6.516  -5.476  -3.930
   61   HD21  LEU   9          HD21      LEU   9   6.703  -4.811  -0.267
   62   HD22  LEU   9          HD22      LEU   9   7.658  -4.902  -1.766
   63   HD23  LEU   9          HD23      LEU   9   6.515  -3.560  -1.519
   64    H    MET  10           H        MET  10   2.092  -5.179   0.621
   65    HA   MET  10           HA       MET  10   2.465  -7.652   2.258
   66    HB2  MET  10           HB3      MET  10   2.902  -6.259   4.209
   67    HB3  MET  10           HB2      MET  10   4.082  -5.927   2.929
   68    HG2  MET  10           HG2      MET  10   1.649  -4.212   3.027
   69    HG3  MET  10           HG3      MET  10   2.860  -3.990   4.305
   70    HE1  MET  10           HE1      MET  10   2.891  -1.956   0.399
   71    HE2  MET  10           HE2      MET  10   1.764  -2.009   1.776
   72    HE3  MET  10           HE3      MET  10   1.854  -3.382   0.646
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   7.607   1.522   0.486
    2    H2   GLY   1           H2       GLY   1   6.418   2.663   0.553
    3    H3   GLY   1           H3       GLY   1   6.386   1.506  -0.622
    4    HA2  GLY   1           HA3      GLY   1   8.605   3.360  -0.372
    5    HA3  GLY   1           HA2      GLY   1   8.139   2.366  -1.766
    6    H    ASN   2           H        ASN   2   5.307   2.927  -1.587
    7    HA   ASN   2           HA       ASN   2   5.333   5.816  -2.365
    8    HB2  ASN   2           HB2      ASN   2   3.838   3.505  -3.647
    9    HB3  ASN   2           HB3      ASN   2   3.576   5.215  -4.042
   10   HD21  ASN   2          HD22      ASN   2   5.366   2.397  -4.719
   11   HD22  ASN   2          HD21      ASN   2   6.585   3.112  -5.750
   12    H    HIS   3           H        HIS   3   3.085   6.767  -2.400
   13    HA   HIS   3           HA       HIS   3   1.957   6.597   0.200
   14    HB2  HIS   3           HB3      HIS   3   1.768   8.568  -1.268
   15    HB3  HIS   3           HB2      HIS   3   0.709   7.651  -2.353
   16    HD2  HIS   3           HD2      HIS   3  -0.148   7.023   1.323
   17    HE1  HIS   3           HE1      HIS   3  -2.831   9.992  -0.088
   18    HE2  HIS   3           HE2      HIS   3  -2.329   8.395   1.833
   19    H    TRP   4           H        TRP   4   0.201   5.834  -2.825
   20    HA   TRP   4           HA       TRP   4  -1.560   4.027  -1.328
   21    HB2  TRP   4           HB3      TRP   4  -2.922   4.002  -3.231
   22    HB3  TRP   4           HB2      TRP   4  -2.241   5.638  -3.216
   23    HD1  TRP   4           HD1      TRP   4   0.559   5.109  -4.597
   24    HE1  TRP   4           HE1      TRP   4   0.698   4.484  -7.097
   25    HE3  TRP   4           HE3      TRP   4  -4.196   3.343  -5.208
   26    HZ2  TRP   4           HZ2      TRP   4  -1.009   3.386  -9.043
   27    HZ3  TRP   4           HZ3      TRP   4  -4.874   2.518  -7.428
   28    HH2  TRP   4           HH2      TRP   4  -3.299   2.540  -9.319
   29    H    ALA   5           H        ALA   5  -2.162   2.070  -3.136
   30    HA   ALA   5           HA       ALA   5  -1.501  -0.013  -3.855
   31    HB1  ALA   5           HB1      ALA   5   0.184  -0.030  -5.345
   32    HB2  ALA   5           HB2      ALA   5   0.299   1.714  -5.008
   33    HB3  ALA   5           HB3      ALA   5   1.366   0.571  -4.158
   34    H    VAL   6           H        VAL   6  -1.412   0.719  -1.041
   35    HA   VAL   6           HA       VAL   6   0.877  -0.865  -0.022
   36    HB   VAL   6           HB       VAL   6   0.140  -0.143   2.205
   37   HG11  VAL   6          HG11      VAL   6   1.668   1.283   0.904
   38   HG12  VAL   6          HG12      VAL   6   0.622   2.240   1.979
   39   HG13  VAL   6          HG13      VAL   6   0.272   2.161   0.236
   40   HG21  VAL   6          HG21      VAL   6  -2.283  -0.092   1.760
   41   HG22  VAL   6          HG22      VAL   6  -1.710   1.429   2.484
   42   HG23  VAL   6          HG23      VAL   6  -2.060   1.350   0.741
   43    H    GLY   7           H        GLY   7  -1.498  -1.992  -1.518
   44    HA2  GLY   7           HA2      GLY   7  -2.193  -3.997   0.578
   45    HA3  GLY   7           HA3      GLY   7  -3.444  -3.328  -0.487
   46    H    HIS   8           H        HIS   8  -0.112  -4.183  -1.374
   47    HA   HIS   8           HA       HIS   8  -1.155  -6.534  -2.872
   48    HB2  HIS   8           HB2      HIS   8   0.769  -4.560  -4.117
   49    HB3  HIS   8           HB3      HIS   8  -0.092  -5.896  -4.902
   50    HD2  HIS   8           HD2      HIS   8  -0.332  -2.242  -4.909
   51    HE1  HIS   8           HE1      HIS   8  -4.379  -3.501  -5.074
   52    HE2  HIS   8           HE2      HIS   8  -2.809  -1.523  -5.397
   53    H    LEU   9           H        LEU   9   1.832  -4.670  -2.174
   54    HA   LEU   9           HA       LEU   9   3.572  -6.928  -2.369
   55    HB2  LEU   9           HB3      LEU   9   3.845  -4.185  -2.019
   56    HB3  LEU   9           HB2      LEU   9   4.435  -4.856  -0.495
   57    HG   LEU   9           HG       LEU   9   5.789  -6.439  -2.178
   58   HD11  LEU   9          HD11      LEU   9   4.832  -5.381  -4.188
   59   HD12  LEU   9          HD12      LEU   9   5.495  -3.812  -3.671
   60   HD13  LEU   9          HD13      LEU   9   6.594  -5.146  -4.094
   61   HD21  LEU   9          HD21      LEU   9   6.712  -5.043  -0.370
   62   HD22  LEU   9          HD22      LEU   9   7.700  -4.948  -1.847
   63   HD23  LEU   9          HD23      LEU   9   6.601  -3.613  -1.424
   64    H    MET  10           H        MET  10   2.055  -5.321   0.443
   65    HA   MET  10           HA       MET  10   2.610  -7.813   1.997
   66    HB2  MET  10           HB3      MET  10   2.904  -6.439   4.003
   67    HB3  MET  10           HB2      MET  10   4.092  -6.023   2.755
   68    HG2  MET  10           HG2      MET  10   1.570  -4.443   2.821
   69    HG3  MET  10           HG3      MET  10   2.734  -4.178   4.133
   70    HE1  MET  10           HE1      MET  10   2.754  -2.093   0.252
   71    HE2  MET  10           HE2      MET  10   1.592  -2.228   1.594
   72    HE3  MET  10           HE3      MET  10   1.796  -3.580   0.453
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   9.280   9.450  -1.296
    2    H2   GLY   1           H2       GLY   1   8.011  10.045  -2.165
    3    H3   GLY   1           H3       GLY   1   7.740   9.265  -0.737
    4    HA2  GLY   1           HA3      GLY   1   8.854   8.068  -3.155
    5    HA3  GLY   1           HA2      GLY   1   8.556   7.233  -1.618
    6    H    ASN   2           H        ASN   2   6.901   5.899  -1.855
    7    HA   ASN   2           HA       ASN   2   4.611   6.765  -3.545
    8    HB2  ASN   2           HB2      ASN   2   4.076   4.514  -3.837
    9    HB3  ASN   2           HB3      ASN   2   5.851   4.505  -3.827
   10   HD21  ASN   2          HD21      ASN   2   2.937   3.445  -2.262
   11   HD22  ASN   2          HD22      ASN   2   3.693   2.500  -0.998
   12    H    HIS   3           H        HIS   3   2.423   6.235  -2.804
   13    HA   HIS   3           HA       HIS   3   2.194   6.400   0.173
   14    HB2  HIS   3           HB3      HIS   3   1.757   8.584  -0.995
   15    HB3  HIS   3           HB2      HIS   3   0.406   7.800  -1.832
   16    HD2  HIS   3           HD2      HIS   3  -1.291   6.438   0.415
   17    HE1  HIS   3           HE1      HIS   3  -0.898  10.028   2.641
   18    HE2  HIS   3           HE2      HIS   3  -2.226   7.866   2.409
   19    H    TRP   4           H        TRP   4   0.236   5.852  -2.787
   20    HA   TRP   4           HA       TRP   4  -1.538   4.040  -1.321
   21    HB2  TRP   4           HB2      TRP   4  -2.866   4.010  -3.243
   22    HB3  TRP   4           HB3      TRP   4  -2.193   5.650  -3.217
   23    HD1  TRP   4           HD1      TRP   4   0.636   5.102  -4.561
   24    HE1  TRP   4           HE1      TRP   4   0.804   4.471  -7.057
   25    HE3  TRP   4           HE3      TRP   4  -4.124   3.367  -5.235
   26    HZ2  TRP   4           HZ2      TRP   4  -0.881   3.380  -9.023
   27    HZ3  TRP   4           HZ3      TRP   4  -4.776   2.541  -7.461
   28    HH2  TRP   4           HH2      TRP   4  -3.174   2.548  -9.330
   29    H    ALA   5           H        ALA   5  -2.127   2.082  -3.128
   30    HA   ALA   5           HA       ALA   5  -1.470  -0.004  -3.836
   31    HB1  ALA   5           HB1      ALA   5   0.236  -0.038  -5.300
   32    HB2  ALA   5           HB2      ALA   5   0.359   1.706  -4.967
   33    HB3  ALA   5           HB3      ALA   5   1.405   0.558  -4.097
   34    H    VAL   6           H        VAL   6  -1.452   0.690  -1.033
   35    HA   VAL   6           HA       VAL   6   0.828  -0.878   0.034
   36    HB   VAL   6           HB       VAL   6   0.033  -0.172   2.246
   37   HG11  VAL   6          HG11      VAL   6   1.593   1.261   0.992
   38   HG12  VAL   6          HG12      VAL   6   0.519   2.212   2.046
   39   HG13  VAL   6          HG13      VAL   6   0.213   2.142   0.294
   40   HG21  VAL   6          HG21      VAL   6  -2.377  -0.123   1.740
   41   HG22  VAL   6          HG22      VAL   6  -2.130   1.325   0.735
   42   HG23  VAL   6          HG23      VAL   6  -1.825   1.396   2.487
   43    H    GLY   7           H        GLY   7  -1.510  -2.010  -1.521
   44    HA2  GLY   7           HA2      GLY   7  -2.237  -4.032   0.548
   45    HA3  GLY   7           HA3      GLY   7  -3.473  -3.360  -0.534
   46    H    HIS   8           H        HIS   8  -0.121  -4.196  -1.367
   47    HA   HIS   8           HA       HIS   8  -1.130  -6.536  -2.903
   48    HB2  HIS   8           HB3      HIS   8   0.816  -4.556  -4.107
   49    HB3  HIS   8           HB2      HIS   8  -0.045  -5.884  -4.905
   50    HD2  HIS   8           HD2      HIS   8  -0.282  -2.226  -4.890
   51    HE1  HIS   8           HE1      HIS   8  -4.322  -3.498  -5.138
   52    HE2  HIS   8           HE2      HIS   8  -2.753  -1.510  -5.419
   53    H    LEU   9           H        LEU   9   1.798  -4.666  -2.020
   54    HA   LEU   9           HA       LEU   9   3.541  -6.957  -2.214
   55    HB2  LEU   9           HB3      LEU   9   3.843  -4.203  -1.950
   56    HB3  LEU   9           HB2      LEU   9   4.426  -4.838  -0.407
   57    HG   LEU   9           HG       LEU   9   5.763  -6.482  -2.037
   58   HD11  LEU   9          HD11      LEU   9   4.810  -5.490  -4.082
   59   HD12  LEU   9          HD12      LEU   9   6.575  -5.269  -4.000
   60   HD13  LEU   9          HD13      LEU   9   5.489  -3.909  -3.625
   61   HD21  LEU   9          HD21      LEU   9   6.702  -5.029  -0.282
   62   HD22  LEU   9          HD22      LEU   9   6.602  -3.638  -1.388
   63   HD23  LEU   9          HD23      LEU   9   7.688  -4.997  -1.764
   64    H    MET  10           H        MET  10   1.965  -5.267   0.507
   65    HA   MET  10           HA       MET  10   3.028  -7.237   2.415
   66    HB2  MET  10           HB2      MET  10   1.052  -4.972   2.830
   67    HB3  MET  10           HB3      MET  10   1.849  -5.914   4.102
   68    HG2  MET  10           HG3      MET  10   3.724  -4.684   3.988
   69    HG3  MET  10           HG2      MET  10   3.733  -4.703   2.214
   70    HE1  MET  10           HE1      MET  10   3.158  -3.069   0.772
   71    HE2  MET  10           HE2      MET  10   2.438  -1.473   1.094
   72    HE3  MET  10           HE3      MET  10   1.398  -2.914   0.992
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1   8.925   5.266   0.857
    2    H2   GLY   1           H2       GLY   1   7.288   5.432   0.743
    3    H3   GLY   1           H3       GLY   1   8.035   4.130   0.059
    4    HA2  GLY   1           HA2      GLY   1   8.733   6.822  -0.744
    5    HA3  GLY   1           HA3      GLY   1   8.943   5.301  -1.634
    6    H    ASN   2           H        ASN   2   6.426   4.167  -1.371
    7    HA   ASN   2           HA       ASN   2   4.855   6.026  -3.080
    8    HB2  ASN   2           HB2      ASN   2   3.538   3.899  -3.577
    9    HB3  ASN   2           HB3      ASN   2   5.206   3.962  -4.180
   10   HD21  ASN   2          HD21      ASN   2   6.195   2.058  -4.003
   11   HD22  ASN   2          HD22      ASN   2   6.023   0.935  -2.672
   12    H    HIS   3           H        HIS   3   2.850   6.720  -2.576
   13    HA   HIS   3           HA       HIS   3   2.036   6.519   0.208
   14    HB2  HIS   3           HB2      HIS   3   1.778   8.517  -1.393
   15    HB3  HIS   3           HB3      HIS   3   0.376   7.654  -2.046
   16    HD2  HIS   3           HD2      HIS   3   0.220   6.915   1.580
   17    HE1  HIS   3           HE1      HIS   3  -1.783  10.633   1.172
   18    HE2  HIS   3           HE2      HIS   3  -1.356   8.664   2.736
   19    H    TRP   4           H        TRP   4   0.217   5.834  -2.809
   20    HA   TRP   4           HA       TRP   4  -1.555   4.025  -1.329
   21    HB2  TRP   4           HB3      TRP   4  -2.902   4.005  -3.240
   22    HB3  TRP   4           HB2      TRP   4  -2.217   5.640  -3.218
   23    HD1  TRP   4           HD1      TRP   4   0.591   5.106  -4.580
   24    HE1  TRP   4           HE1      TRP   4   0.746   4.482  -7.079
   25    HE3  TRP   4           HE3      TRP   4  -4.165   3.351  -5.226
   26    HZ2  TRP   4           HZ2      TRP   4  -0.950   3.386  -9.038
   27    HZ3  TRP   4           HZ3      TRP   4  -4.829   2.527  -7.450
   28    HH2  TRP   4           HH2      TRP   4  -3.240   2.546  -9.330
   29    H    ALA   5           H        ALA   5  -2.147   2.070  -3.140
   30    HA   ALA   5           HA       ALA   5  -1.485  -0.012  -3.857
   31    HB1  ALA   5           HB1      ALA   5   0.210  -0.033  -5.334
   32    HB2  ALA   5           HB2      ALA   5   0.327   1.711  -4.997
   33    HB3  ALA   5           HB3      ALA   5   1.385   0.566  -4.138
   34    H    VAL   6           H        VAL   6  -1.413   0.719  -1.041
   35    HA   VAL   6           HA       VAL   6   0.866  -0.869  -0.007
   36    HB   VAL   6           HB       VAL   6   0.127  -0.144   2.213
   37   HG11  VAL   6          HG11      VAL   6   1.648   1.290   0.910
   38   HG12  VAL   6          HG12      VAL   6   0.597   2.243   1.984
   39   HG13  VAL   6          HG13      VAL   6   0.246   2.160   0.241
   40   HG21  VAL   6          HG21      VAL   6  -2.295  -0.106   1.769
   41   HG22  VAL   6          HG22      VAL   6  -1.730   1.419   2.491
   42   HG23  VAL   6          HG23      VAL   6  -2.081   1.336   0.748
   43    H    GLY   7           H        GLY   7  -1.491  -2.000  -1.523
   44    HA2  GLY   7           HA3      GLY   7  -2.215  -3.999   0.573
   45    HA3  GLY   7           HA2      GLY   7  -3.449  -3.327  -0.510
   46    H    HIS   8           H        HIS   8  -0.115  -4.187  -1.374
   47    HA   HIS   8           HA       HIS   8  -1.155  -6.536  -2.876
   48    HB2  HIS   8           HB2      HIS   8   0.776  -4.566  -4.114
   49    HB3  HIS   8           HB3      HIS   8  -0.086  -5.899  -4.902
   50    HD2  HIS   8           HD2      HIS   8  -0.319  -2.244  -4.910
   51    HE1  HIS   8           HE1      HIS   8  -4.366  -3.495  -5.086
   52    HE2  HIS   8           HE2      HIS   8  -2.792  -1.519  -5.403
   53    H    LEU   9           H        LEU   9   1.830  -4.673  -2.165
   54    HA   LEU   9           HA       LEU   9   3.571  -6.931  -2.357
   55    HB2  LEU   9           HB2      LEU   9   3.840  -4.200  -2.016
   56    HB3  LEU   9           HB3      LEU   9   4.414  -4.844  -0.473
   57    HG   LEU   9           HG       LEU   9   5.779  -6.443  -2.166
   58   HD11  LEU   9          HD11      LEU   9   4.849  -5.340  -4.165
   59   HD12  LEU   9          HD12      LEU   9   5.520  -3.786  -3.613
   60   HD13  LEU   9          HD13      LEU   9   6.612  -5.122  -4.050
   61   HD21  LEU   9          HD21      LEU   9   6.694  -5.089  -0.322
   62   HD22  LEU   9          HD22      LEU   9   7.699  -4.975  -1.786
   63   HD23  LEU   9          HD23      LEU   9   6.607  -3.638  -1.350
   64    H    MET  10           H        MET  10   1.881  -5.424   0.391
   65    HA   MET  10           HA       MET  10   2.489  -7.890   1.958
   66    HB2  MET  10           HB2      MET  10   2.699  -6.506   3.984
   67    HB3  MET  10           HB3      MET  10   3.954  -6.136   2.788
   68    HG2  MET  10           HG3      MET  10   1.460  -4.495   2.738
   69    HG3  MET  10           HG2      MET  10   2.585  -4.248   4.087
   70    HE1  MET  10           HE1      MET  10   2.802  -2.160   0.223
   71    HE2  MET  10           HE2      MET  10   1.597  -2.260   1.530
   72    HE3  MET  10           HE3      MET  10   1.787  -3.613   0.388