*HEADER    ANTIMICROBIAL PROTEIN                   20-JUL-20   7JGX              
*TITLE     SOLUTION NMR STRUCTURE OF NEUROVAL, A DERIVED PEPTIDE FROM WASP       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROVAL DERIVED PEPTIDE ILE-PHE-TRP-LEU-PHE-ARG-GLY-LYS-  
*COMPND   3 ALA-ASP-VAL-ALA-LEU-NH2;                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PARACHARTERGUS FRATERNUS;                       
*SOURCE   4 ORGANISM_TAXID: 91406                                                
*KEYWDS    ALPHA-HELICAL, ANTIMICROBIAL, NON-HAEMOLYTIC., ANTIMICROBIAL PROTEIN  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.A.I.MULLER,D.J.CRAIK,J.KOEHBACH                                     
*REVDAT   1   16-DEC-20 7JGX    0                                                
# Restraints file 1: neuroval_pdb_restrains.txt
#distance restraints
 12 ALA  HA     13 LEU  H       3.45  #peak 18 #plist 1 #SUP 0.99 #QF 0.57
 11 VAL  HB     12 ALA  H       4.52  #peak 43 #plist 1 #SUP 0.98 #QF 0.98
 11 VAL  H      11 VAL  HB      3.82  #peak 44 #plist 1 #SUP 0.94 #QF 0.94
 13 LEU  H      13 LEU  HG      4.41  #peak 50 #plist 1 #SUP 0.85 #QF 0.80
  6 ARG  H       6 ARG  HG2     5.35  #peak 51 #plist 1 #SUP 0.99 #QF 0.92
  6 ARG  H       6 ARG  HG3     5.35  #peak 51 #plist 1 #SUP 0.99 #QF 0.92
  8 LYS  H       8 LYS  HG2     5.34  #peak 52 #plist 1 #SUP 1.00 #QF 0.95
  8 LYS  H       8 LYS  HG3     5.34  #peak 52 #plist 1 #SUP 1.00 #QF 0.95
 12 ALA  H      12 ALA  QB      3.66  #peak 53 #plist 1 #SUP 0.99 #QF 0.99
 12 ALA  QB     13 LEU  H       4.55  #peak 54 #plist 1 #SUP 0.99 #QF 0.99
  9 ALA  H       9 ALA  QB      3.55  #peak 55 #plist 1 #SUP 0.98 #QF 0.98
  9 ALA  QB     10 ASP  H       4.51  #peak 56 #plist 1 #SUP 0.97 #QF 0.97
  4 LEU  H       4 LEU  HG      4.32  #peak 57 #plist 1 #SUP 0.79 #QF 0.79
 11 VAL  QG1    12 ALA  H       5.47  #peak 59 #plist 1 #SUP 1.00 #QF 0.98
 11 VAL  QG2    12 ALA  H       5.47  #peak 59 #plist 1 #SUP 1.00 #QF 0.98
 11 VAL  H      11 VAL  QG1     4.58  #peak 60 #plist 1 #SUP 1.00 #QF 0.96
 11 VAL  H      11 VAL  QG2     4.58  #peak 60 #plist 1 #SUP 1.00 #QF 0.96
 13 LEU  HA     13 LEU  QD1     4.52  #peak 69 #plist 1 #SUP 0.91 #QF 0.68
 13 LEU  HA     13 LEU  QD2     4.52  #peak 69 #plist 1 #SUP 0.91 #QF 0.68
 11 VAL  HA     11 VAL  QG1     3.92  #peak 75 #plist 1 #SUP 1.00
 11 VAL  HA     11 VAL  QG2     3.92  #peak 75 #plist 1 #SUP 1.00
  4 LEU  HA      4 LEU  QD1     4.25  #peak 78 #plist 1 #SUP 0.91 #QF 0.91
  4 LEU  HA      4 LEU  QD2     4.25  #peak 79 #plist 1 #SUP 0.84 #QF 0.84
  6 ARG  HA      6 ARG  HD2     5.39  #peak 87 #plist 1 #SUP 0.94 #QF 0.76
  6 ARG  HA      6 ARG  HD3     5.39  #peak 87 #plist 1 #SUP 0.94 #QF 0.76
  4 LEU  HA      4 LEU  QQD     3.54  #peak 79 #plist 1
  5 PHE  H       5 PHE  QB      3.61  #peak 40 #plist 1
  6 ARG  H       6 ARG  QB      3.64  #peak 49 #plist 1
  6 ARG  H       6 ARG  QG      4.60  #peak 51 #plist 1
  6 ARG  HA      6 ARG  QD      4.61  #peak 87 #plist 1
  8 LYS  H       8 LYS  QB      3.59  #peak 48 #plist 1
  8 LYS  H       8 LYS  QG      4.58  #peak 52 #plist 1
 10 ASP  H      10 ASP  QB      3.62  #peak 42 #plist 1
 11 VAL  H      11 VAL  QQG     3.97  #peak 60 #plist 1
 11 VAL  QQG    12 ALA  H       4.64  #peak 59 #plist 1
 13 LEU  H      13 LEU  QB      3.56  #peak 50 #plist 1
 13 LEU  HA     13 LEU  QQD     3.87  #peak 69 #plist 1
#dihedral angle restraints

#    2 F  -63.375  -38.333    5.018    4.268    1.066 0.851 25 11 Strong
   2   PHE  PHI     -83.4   -43.4
   2   PHE  PSI     -58.3   -18.3

#    3 W  -64.493  -43.330    4.703    5.660    0.836 0.854 25 13 Strong
   3   TRP  PHI     -84.5   -44.5
   3   TRP  PSI     -63.3   -23.3

#    4 L  -66.123  -42.857    4.335    4.374    0.715 0.856 25 15 Strong
   4   LEU  PHI     -86.1   -46.1
   4   LEU  PSI     -62.9   -22.9

#    5 F  -65.779  -40.472    5.555    5.283    0.598 0.848 25 15 Strong
   5   PHE  PHI     -85.8   -45.8
   5   PHE  PSI     -60.5   -20.5

#    6 R  -64.652  -42.667    3.776    5.187    0.529 0.841 25 14 Strong
   6   ARG  PHI     -84.7   -44.7
   6   ARG  PSI     -62.7   -22.7

#    7 G  -65.572  -39.927    3.721    3.664    0.483 0.835 25 14 Strong
   7   GLY  PHI     -85.6   -45.6
   7   GLY  PSI     -59.9   -19.9

#    8 K  -65.487  -39.557    3.647    5.589    0.485 0.848 25 14 Strong
   8   LYS  PHI     -85.5   -45.5
   8   LYS  PSI     -59.6   -19.6

#    9 A  -66.135  -39.467    4.481    4.737    0.542 0.864 25 15 Strong
   9   ALA  PHI     -86.1   -46.1
   9   ALA  PSI     -59.5   -19.5

#   10 D  -64.987  -40.392    4.243    6.453    0.585 0.879 25 15 Strong
  10   ASP  PHI     -85.0   -45.0
  10   ASP  PSI     -60.4   -20.4

#   11 V  -63.996  -35.497    6.394    3.671    0.830 0.869 25 15 Strong
  11   VAL  PHI     -84.0   -44.0
  11   VAL  PSI     -55.5   -15.5

#hbond restraints
5 PHE H 1 ILE O 2
5 PHE N 1 ILE O 3
6 ARG H 2 PHE O 2
6 ARG N 2 PHE O 3
10 ASP H 6 ARG O 2
10 ASP N 6 ARG O 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           H        ILE   1  -8.952  -0.471  -3.410
    2    HA   ILE   1           HA       ILE   1  -6.596  -1.173  -5.038
    3    HB   ILE   1           HB       ILE   1  -8.068   1.460  -5.148
    4   HG12  ILE   1          HG12      ILE   1  -9.500  -0.351  -5.997
    5   HG13  ILE   1          HG13      ILE   1  -8.968   0.706  -7.300
    6   HG21  ILE   1          HG21      ILE   1  -5.711   0.292  -6.556
    7   HG22  ILE   1          HG22      ILE   1  -6.736   1.454  -7.397
    8   HG23  ILE   1          HG23      ILE   1  -5.940   1.911  -5.892
    9   HD11  ILE   1          HD11      ILE   1  -7.828  -1.995  -6.628
   10   HD12  ILE   1          HD12      ILE   1  -8.888  -1.610  -7.984
   11   HD13  ILE   1          HD13      ILE   1  -7.260  -0.933  -7.916
   12    H    PHE   2           H        PHE   2  -7.841   1.472  -2.988
   13    HA   PHE   2           HA       PHE   2  -5.410   2.616  -2.323
   14    HB2  PHE   2           HB2      PHE   2  -7.950   2.421  -0.696
   15    HB3  PHE   2           HB3      PHE   2  -6.588   3.451  -0.267
   16    HD1  PHE   2           HD1      PHE   2  -9.597   3.181  -2.144
   17    HD2  PHE   2           HD2      PHE   2  -5.862   5.211  -1.968
   18    HE1  PHE   2           HE1      PHE   2 -10.504   4.964  -3.578
   19    HE2  PHE   2           HE2      PHE   2  -6.761   6.999  -3.400
   20    HZ   PHE   2           HZ       PHE   2  -9.084   6.877  -4.206
   21    H    TRP   3           H        TRP   3  -7.133  -0.032  -0.721
   22    HA   TRP   3           HA       TRP   3  -5.400  -0.342   1.460
   23    HB2  TRP   3           HB2      TRP   3  -7.045  -2.457   0.049
   24    HB3  TRP   3           HB3      TRP   3  -6.351  -2.602   1.663
   25    HD1  TRP   3           HD1      TRP   3  -7.321  -0.657   3.479
   26    HE1  TRP   3           HE1      TRP   3  -9.745   0.165   3.743
   27    HE3  TRP   3           HE3      TRP   3  -9.161  -2.072  -1.077
   28    HZ2  TRP   3           HZ2      TRP   3 -12.123   0.209   2.224
   29    HZ3  TRP   3           HZ3      TRP   3 -11.522  -1.604  -1.592
   30    HH2  TRP   3           HH2      TRP   3 -12.970  -0.488   0.026
   31    H    LEU   4           H        LEU   4  -5.373  -1.853  -1.750
   32    HA   LEU   4           HA       LEU   4  -3.135  -3.516  -1.267
   33    HB2  LEU   4           HB2      LEU   4  -4.591  -2.563  -3.686
   34    HB3  LEU   4           HB3      LEU   4  -3.020  -3.335  -3.888
   35    HG   LEU   4           HG       LEU   4  -4.879  -4.900  -4.218
   36   HD11  LEU   4          HD11      LEU   4  -2.697  -5.217  -2.353
   37   HD12  LEU   4          HD12      LEU   4  -4.046  -6.283  -1.957
   38   HD13  LEU   4          HD13      LEU   4  -3.318  -6.339  -3.563
   39   HD21  LEU   4          HD21      LEU   4  -5.493  -4.618  -1.292
   40   HD22  LEU   4          HD22      LEU   4  -6.360  -3.701  -2.523
   41   HD23  LEU   4          HD23      LEU   4  -6.414  -5.463  -2.536
   42    H    PHE   5           H        PHE   5  -3.477  -0.293  -2.693
   43    HA   PHE   5           HA       PHE   5  -0.783   0.035  -3.443
   44    HB2  PHE   5           HB2      PHE   5  -2.573   1.468  -4.309
   45    HB3  PHE   5           HB3      PHE   5  -2.832   2.132  -2.700
   46    HD1  PHE   5           HD1      PHE   5  -0.637   2.088  -5.622
   47    HD2  PHE   5           HD2      PHE   5  -1.296   3.731  -1.750
   48    HE1  PHE   5           HE1      PHE   5   1.031   3.838  -6.084
   49    HE2  PHE   5           HE2      PHE   5   0.370   5.483  -2.208
   50    HZ   PHE   5           HZ       PHE   5   1.536   5.538  -4.376
   51    H    ARG   6           H        ARG   6  -2.523   0.808  -0.465
   52    HA   ARG   6           HA       ARG   6  -0.364   2.134   0.807
   53    HB2  ARG   6           HB2      ARG   6  -2.762   2.349   1.468
   54    HB3  ARG   6           HB3      ARG   6  -2.692   0.710   2.106
   55    HG2  ARG   6           HG2      ARG   6  -2.444   2.199   3.934
   56    HG3  ARG   6           HG3      ARG   6  -0.864   1.474   3.632
   57    HD2  ARG   6           HD2      ARG   6  -0.209   3.482   2.367
   58    HD3  ARG   6           HD3      ARG   6  -1.776   4.204   2.731
   59    HE   ARG   6           HE       ARG   6  -0.535   3.454   5.135
   60   HH11  ARG   6          HH11      ARG   6  -0.201   5.767   2.554
   61   HH12  ARG   6          HH12      ARG   6   0.554   6.966   3.549
   62   HH21  ARG   6          HH21      ARG   6   0.458   5.026   6.457
   63   HH22  ARG   6          HH22      ARG   6   0.929   6.544   5.771
   64    H    GLY   7           H        GLY   7  -1.501  -1.216   0.810
   65    HA2  GLY   7           HA2      GLY   7   0.193  -2.199   2.824
   66    HA3  GLY   7           HA3      GLY   7  -0.511  -3.157   1.528
   67    H    LYS   8           H        LYS   8   0.725  -1.762  -0.636
   68    HA   LYS   8           HA       LYS   8   3.164  -3.177  -0.784
   69    HB2  LYS   8           HB2      LYS   8   1.573  -2.252  -2.662
   70    HB3  LYS   8           HB3      LYS   8   2.602  -0.831  -2.557
   71    HG2  LYS   8           HG2      LYS   8   4.545  -2.133  -3.114
   72    HG3  LYS   8           HG3      LYS   8   3.602  -3.624  -3.071
   73    HD2  LYS   8           HD2      LYS   8   2.802  -1.398  -4.903
   74    HD3  LYS   8           HD3      LYS   8   4.118  -2.484  -5.355
   75    HE2  LYS   8           HE2      LYS   8   2.727  -4.325  -5.486
   76    HE3  LYS   8           HE3      LYS   8   1.520  -3.619  -4.412
   77    HZ1  LYS   8           HZ1      LYS   8   0.942  -2.053  -6.179
   78    HZ2  LYS   8           HZ2      LYS   8   2.067  -2.785  -7.210
   79    HZ3  LYS   8           HZ3      LYS   8   0.719  -3.657  -6.675
   80    H    ALA   9           H        ALA   9   2.458   0.282  -0.365
   81    HA   ALA   9           HA       ALA   9   5.160   1.109  -0.224
   82    HB1  ALA   9           HB1      ALA   9   3.869   3.043   1.151
   83    HB2  ALA   9           HB2      ALA   9   3.923   2.949  -0.610
   84    HB3  ALA   9           HB3      ALA   9   2.525   2.324   0.265
   85    H    ASP  10           H        ASP  10   2.839   0.044   2.197
   86    HA   ASP  10           HA       ASP  10   4.131   0.812   4.523
   87    HB2  ASP  10           HB2      ASP  10   1.858  -0.292   4.299
   88    HB3  ASP  10           HB3      ASP  10   2.710  -1.829   4.185
   89    H    VAL  11           H        VAL  11   4.732  -1.970   2.446
   90    HA   VAL  11           HA       VAL  11   6.431  -3.459   4.034
   91    HB   VAL  11           HB       VAL  11   6.743  -3.007   1.061
   92   HG11  VAL  11          HG11      VAL  11   7.369  -5.652   1.896
   93   HG12  VAL  11          HG12      VAL  11   8.426  -4.449   1.155
   94   HG13  VAL  11          HG13      VAL  11   8.266  -4.522   2.911
   95   HG21  VAL  11          HG21      VAL  11   4.766  -4.499   2.656
   96   HG22  VAL  11          HG22      VAL  11   4.642  -3.831   1.029
   97   HG23  VAL  11          HG23      VAL  11   5.459  -5.372   1.291
   98    H    ALA  12           H        ALA  12   7.119  -0.560   2.159
   99    HA   ALA  12           HA       ALA  12   9.923  -0.606   2.363
  100    HB1  ALA  12           HB1      ALA  12   8.396   1.963   2.319
  101    HB2  ALA  12           HB2      ALA  12   9.896   1.538   1.498
  102    HB3  ALA  12           HB3      ALA  12   8.362   0.887   0.922
  103    H    LEU  13           H        LEU  13  11.316   0.675   3.703
  104    HA   LEU  13           HA       LEU  13  10.381   0.771   6.459
  105    HB2  LEU  13           HB2      LEU  13  13.087   0.942   5.170
  106    HB3  LEU  13           HB3      LEU  13  12.845   1.306   6.877
  107    HG   LEU  13           HG       LEU  13  12.243  -1.342   5.560
  108   HD11  LEU  13          HD11      LEU  13  14.647  -0.834   5.642
  109   HD12  LEU  13          HD12      LEU  13  14.517  -0.564   7.380
  110   HD13  LEU  13          HD13      LEU  13  14.206  -2.166   6.711
  111   HD21  LEU  13          HD21      LEU  13  12.340  -1.922   8.138
  112   HD22  LEU  13          HD22      LEU  13  11.833  -0.239   8.289
  113   HD23  LEU  13          HD23      LEU  13  10.851  -1.377   7.367
  114    HN1  NH2  14           HN1      NH2  14   9.955   2.585   7.553
  115    HN2  NH2  14           HN2      NH2  14  10.243   4.192   7.050
  Start of MODEL    2
    1    H1   ILE   1           H        ILE   1  -8.796  -0.611  -3.977
    2    HA   ILE   1           HA       ILE   1  -6.193  -1.319  -5.162
    3    HB   ILE   1           HB       ILE   1  -6.341   0.938  -6.294
    4   HG12  ILE   1          HG12      ILE   1  -9.240   0.682  -5.466
    5   HG13  ILE   1          HG13      ILE   1  -8.106   1.890  -4.875
    6   HG21  ILE   1          HG21      ILE   1  -8.594  -0.438  -7.483
    7   HG22  ILE   1          HG22      ILE   1  -6.964  -0.193  -8.109
    8   HG23  ILE   1          HG23      ILE   1  -7.302  -1.553  -7.039
    9   HD11  ILE   1          HD11      ILE   1  -7.872   2.488  -7.400
   10   HD12  ILE   1          HD12      ILE   1  -9.432   1.674  -7.528
   11   HD13  ILE   1          HD13      ILE   1  -9.251   3.070  -6.466
   12    H    PHE   2           H        PHE   2  -7.918   0.852  -3.002
   13    HA   PHE   2           HA       PHE   2  -5.757   2.533  -2.340
   14    HB2  PHE   2           HB2      PHE   2  -8.398   1.889  -1.118
   15    HB3  PHE   2           HB3      PHE   2  -7.209   2.717  -0.118
   16    HD1  PHE   2           HD1      PHE   2  -9.961   3.291  -2.013
   17    HD2  PHE   2           HD2      PHE   2  -5.947   4.658  -1.639
   18    HE1  PHE   2           HE1      PHE   2 -10.600   5.434  -3.039
   19    HE2  PHE   2           HE2      PHE   2  -6.581   6.805  -2.662
   20    HZ   PHE   2           HZ       PHE   2  -8.909   7.195  -3.364
   21    H    TRP   3           H        TRP   3  -7.107  -0.263  -0.591
   22    HA   TRP   3           HA       TRP   3  -5.195  -0.328   1.450
   23    HB2  TRP   3           HB2      TRP   3  -7.447  -1.629   1.161
   24    HB3  TRP   3           HB3      TRP   3  -6.431  -2.852   0.403
   25    HD1  TRP   3           HD1      TRP   3  -4.595  -4.066   1.983
   26    HE1  TRP   3           HE1      TRP   3  -4.540  -4.421   4.532
   27    HE3  TRP   3           HE3      TRP   3  -8.080  -0.589   3.363
   28    HZ2  TRP   3           HZ2      TRP   3  -5.805  -3.368   6.824
   29    HZ3  TRP   3           HZ3      TRP   3  -8.599  -0.325   5.755
   30    HH2  TRP   3           HH2      TRP   3  -7.485  -1.688   7.447
   31    H    LEU   4           H        LEU   4  -5.240  -1.888  -1.723
   32    HA   LEU   4           HA       LEU   4  -2.937  -3.462  -1.396
   33    HB2  LEU   4           HB2      LEU   4  -3.989  -2.230  -3.937
   34    HB3  LEU   4           HB3      LEU   4  -2.886  -3.599  -3.819
   35    HG   LEU   4           HG       LEU   4  -5.624  -3.750  -2.613
   36   HD11  LEU   4          HD11      LEU   4  -6.657  -3.757  -4.573
   37   HD12  LEU   4          HD12      LEU   4  -5.148  -3.267  -5.343
   38   HD13  LEU   4          HD13      LEU   4  -5.545  -4.979  -5.192
   39   HD21  LEU   4          HD21      LEU   4  -3.399  -5.558  -3.213
   40   HD22  LEU   4          HD22      LEU   4  -4.684  -5.693  -2.013
   41   HD23  LEU   4          HD23      LEU   4  -4.985  -6.170  -3.683
   42    H    PHE   5           H        PHE   5  -3.359  -0.183  -2.681
   43    HA   PHE   5           HA       PHE   5  -0.658   0.238  -3.373
   44    HB2  PHE   5           HB2      PHE   5  -2.846   1.606  -3.928
   45    HB3  PHE   5           HB3      PHE   5  -2.386   2.513  -2.491
   46    HD1  PHE   5           HD1      PHE   5  -1.323   1.524  -5.876
   47    HD2  PHE   5           HD2      PHE   5  -0.580   4.044  -2.528
   48    HE1  PHE   5           HE1      PHE   5   0.254   2.846  -7.226
   49    HE2  PHE   5           HE2      PHE   5   0.997   5.370  -3.872
   50    HZ   PHE   5           HZ       PHE   5   1.415   4.772  -6.225
   51    H    ARG   6           H        ARG   6  -2.496   1.009  -0.440
   52    HA   ARG   6           HA       ARG   6  -0.413   2.327   0.919
   53    HB2  ARG   6           HB2      ARG   6  -2.979   1.032   1.736
   54    HB3  ARG   6           HB3      ARG   6  -1.823   1.482   2.982
   55    HG2  ARG   6           HG2      ARG   6  -1.837   3.797   1.855
   56    HG3  ARG   6           HG3      ARG   6  -3.325   3.239   1.085
   57    HD2  ARG   6           HD2      ARG   6  -2.864   3.186   4.062
   58    HD3  ARG   6           HD3      ARG   6  -3.631   4.532   3.220
   59    HE   ARG   6           HE       ARG   6  -4.797   1.979   3.833
   60   HH11  ARG   6          HH11      ARG   6  -4.912   4.744   1.723
   61   HH12  ARG   6          HH12      ARG   6  -6.575   4.515   1.297
   62   HH21  ARG   6          HH21      ARG   6  -6.988   1.666   3.279
   63   HH22  ARG   6          HH22      ARG   6  -7.756   2.764   2.183
   64    H    GLY   7           H        GLY   7  -1.503  -1.057   1.008
   65    HA2  GLY   7           HA2      GLY   7   0.291  -1.977   2.950
   66    HA3  GLY   7           HA3      GLY   7  -0.445  -2.970   1.701
   67    H    LYS   8           H        LYS   8   0.611  -2.054  -0.597
   68    HA   LYS   8           HA       LYS   8   3.085  -3.278  -0.763
   69    HB2  LYS   8           HB2      LYS   8   1.659  -2.795  -2.708
   70    HB3  LYS   8           HB3      LYS   8   2.001  -1.079  -2.534
   71    HG2  LYS   8           HG2      LYS   8   3.321  -2.117  -4.315
   72    HG3  LYS   8           HG3      LYS   8   4.338  -1.459  -3.030
   73    HD2  LYS   8           HD2      LYS   8   4.799  -3.606  -2.163
   74    HD3  LYS   8           HD3      LYS   8   3.504  -4.349  -3.103
   75    HE2  LYS   8           HE2      LYS   8   5.756  -2.969  -4.501
   76    HE3  LYS   8           HE3      LYS   8   5.988  -4.597  -3.864
   77    HZ1  LYS   8           HZ1      LYS   8   4.956  -5.401  -5.631
   78    HZ2  LYS   8           HZ2      LYS   8   3.558  -4.524  -5.257
   79    HZ3  LYS   8           HZ3      LYS   8   4.746  -3.839  -6.249
   80    H    ALA   9           H        ALA   9   2.324   0.130  -0.229
   81    HA   ALA   9           HA       ALA   9   5.044   1.002  -0.312
   82    HB1  ALA   9           HB1      ALA   9   2.578   2.249  -0.358
   83    HB2  ALA   9           HB2      ALA   9   3.261   2.726   1.197
   84    HB3  ALA   9           HB3      ALA   9   4.150   3.044  -0.293
   85    H    ASP  10           H        ASP  10   2.800   0.059   2.237
   86    HA   ASP  10           HA       ASP  10   4.233   0.894   4.467
   87    HB2  ASP  10           HB2      ASP  10   1.897  -0.089   4.410
   88    HB3  ASP  10           HB3      ASP  10   2.654  -1.675   4.324
   89    H    VAL  11           H        VAL  11   4.527  -2.079   2.574
   90    HA   VAL  11           HA       VAL  11   6.400  -3.369   4.241
   91    HB   VAL  11           HB       VAL  11   6.027  -3.682   1.259
   92   HG11  VAL  11          HG11      VAL  11   7.722  -5.040   3.245
   93   HG12  VAL  11          HG12      VAL  11   6.826  -6.099   2.157
   94   HG13  VAL  11          HG13      VAL  11   7.919  -4.880   1.499
   95   HG21  VAL  11          HG21      VAL  11   4.905  -5.839   2.665
   96   HG22  VAL  11          HG22      VAL  11   4.341  -4.376   3.471
   97   HG23  VAL  11          HG23      VAL  11   4.060  -4.595   1.744
   98    H    ALA  12           H        ALA  12   6.882  -1.532   1.221
   99    HA   ALA  12           HA       ALA  12   8.672  -0.392   0.401
  100    HB1  ALA  12           HB1      ALA  12   9.709   1.016   1.840
  101    HB2  ALA  12           HB2      ALA  12   8.451   0.443   2.936
  102    HB3  ALA  12           HB3      ALA  12  10.067  -0.259   3.004
  103    H    LEU  13           H        LEU  13   8.751  -3.249   0.399
  104    HA   LEU  13           HA       LEU  13  10.165  -4.983  -0.012
  105    HB2  LEU  13           HB2      LEU  13  11.984  -2.649  -0.542
  106    HB3  LEU  13           HB3      LEU  13  12.475  -4.320  -0.812
  107    HG   LEU  13           HG       LEU  13  10.276  -4.341  -2.293
  108   HD11  LEU  13          HD11      LEU  13  10.682  -1.873  -3.434
  109   HD12  LEU  13          HD12      LEU  13   9.323  -2.330  -2.406
  110   HD13  LEU  13          HD13      LEU  13  10.728  -1.527  -1.707
  111   HD21  LEU  13          HD21      LEU  13  11.732  -3.641  -4.226
  112   HD22  LEU  13          HD22      LEU  13  12.982  -3.257  -3.044
  113   HD23  LEU  13          HD23      LEU  13  12.392  -4.912  -3.197
  114    HN1  NH2  14           HN1      NH2  14  10.014  -5.626   2.223
  115    HN2  NH2  14           HN2      NH2  14  11.356  -5.549   3.277
  Start of MODEL    3
    1    H1   ILE   1           H        ILE   1  -9.061  -0.374  -4.013
    2    HA   ILE   1           HA       ILE   1  -6.439  -0.993  -5.105
    3    HB   ILE   1           HB       ILE   1  -7.999   1.586  -5.272
    4   HG12  ILE   1          HG12      ILE   1  -8.193   0.597  -7.739
    5   HG13  ILE   1          HG13      ILE   1  -8.059  -0.928  -6.872
    6   HG21  ILE   1          HG21      ILE   1  -6.495   1.910  -7.289
    7   HG22  ILE   1          HG22      ILE   1  -5.734   2.063  -5.705
    8   HG23  ILE   1          HG23      ILE   1  -5.522   0.586  -6.648
    9   HD11  ILE   1          HD11      ILE   1 -10.124  -0.766  -6.021
   10   HD12  ILE   1          HD12      ILE   1  -9.992   0.971  -5.753
   11   HD13  ILE   1          HD13      ILE   1 -10.378   0.354  -7.359
   12    H    PHE   2           H        PHE   2  -7.849   1.468  -2.948
   13    HA   PHE   2           HA       PHE   2  -5.496   2.745  -2.215
   14    HB2  PHE   2           HB2      PHE   2  -8.163   2.397  -0.912
   15    HB3  PHE   2           HB3      PHE   2  -6.852   3.106   0.025
   16    HD1  PHE   2           HD1      PHE   2  -9.240   3.604  -2.650
   17    HD2  PHE   2           HD2      PHE   2  -5.829   5.230  -0.692
   18    HE1  PHE   2           HE1      PHE   2  -9.695   5.791  -3.681
   19    HE2  PHE   2           HE2      PHE   2  -6.278   7.419  -1.719
   20    HZ   PHE   2           HZ       PHE   2  -8.214   7.703  -3.216
   21    H    TRP   3           H        TRP   3  -7.068  -0.065  -0.732
   22    HA   TRP   3           HA       TRP   3  -5.272  -0.382   1.405
   23    HB2  TRP   3           HB2      TRP   3  -7.561  -1.508   1.008
   24    HB3  TRP   3           HB3      TRP   3  -6.663  -2.688   0.060
   25    HD1  TRP   3           HD1      TRP   3  -4.798  -4.166   1.428
   26    HE1  TRP   3           HE1      TRP   3  -4.773  -4.917   3.889
   27    HE3  TRP   3           HE3      TRP   3  -8.218  -0.869   3.318
   28    HZ2  TRP   3           HZ2      TRP   3  -6.036  -4.206   6.312
   29    HZ3  TRP   3           HZ3      TRP   3  -8.754  -0.972   5.716
   30    HH2  TRP   3           HH2      TRP   3  -7.686  -2.607   7.182
   31    H    LEU   4           H        LEU   4  -5.420  -2.209  -1.661
   32    HA   LEU   4           HA       LEU   4  -3.106  -3.684  -1.360
   33    HB2  LEU   4           HB2      LEU   4  -4.908  -3.023  -3.476
   34    HB3  LEU   4           HB3      LEU   4  -3.255  -2.939  -4.081
   35    HG   LEU   4           HG       LEU   4  -4.334  -5.132  -4.455
   36   HD11  LEU   4          HD11      LEU   4  -2.083  -5.426  -2.490
   37   HD12  LEU   4          HD12      LEU   4  -2.448  -6.417  -3.902
   38   HD13  LEU   4          HD13      LEU   4  -1.840  -4.774  -4.111
   39   HD21  LEU   4          HD21      LEU   4  -5.231  -6.405  -2.823
   40   HD22  LEU   4          HD22      LEU   4  -4.050  -5.889  -1.620
   41   HD23  LEU   4          HD23      LEU   4  -5.421  -4.851  -2.011
   42    H    PHE   5           H        PHE   5  -3.489  -0.402  -2.622
   43    HA   PHE   5           HA       PHE   5  -0.790  -0.053  -3.398
   44    HB2  PHE   5           HB2      PHE   5  -3.126   1.746  -2.944
   45    HB3  PHE   5           HB3      PHE   5  -1.525   2.474  -3.022
   46    HD1  PHE   5           HD1      PHE   5  -3.071  -0.342  -4.913
   47    HD2  PHE   5           HD2      PHE   5  -1.308   3.529  -5.053
   48    HE1  PHE   5           HE1      PHE   5  -3.176  -0.387  -7.370
   49    HE2  PHE   5           HE2      PHE   5  -1.412   3.492  -7.511
   50    HZ   PHE   5           HZ       PHE   5  -2.348   1.531  -8.673
   51    H    ARG   6           H        ARG   6  -2.569   1.015  -0.504
   52    HA   ARG   6           HA       ARG   6  -0.455   2.248   0.817
   53    HB2  ARG   6           HB2      ARG   6  -2.993   0.949   1.730
   54    HB3  ARG   6           HB3      ARG   6  -1.814   1.477   2.924
   55    HG2  ARG   6           HG2      ARG   6  -2.677   3.387   0.810
   56    HG3  ARG   6           HG3      ARG   6  -3.757   3.051   2.166
   57    HD2  ARG   6           HD2      ARG   6  -2.549   4.867   2.934
   58    HD3  ARG   6           HD3      ARG   6  -1.662   3.507   3.621
   59    HE   ARG   6           HE       ARG   6  -0.646   4.333   1.074
   60   HH11  ARG   6          HH11      ARG   6  -0.577   4.959   4.498
   61   HH12  ARG   6          HH12      ARG   6   0.993   5.692   4.464
   62   HH21  ARG   6          HH21      ARG   6   1.420   5.297   1.017
   63   HH22  ARG   6          HH22      ARG   6   2.128   5.883   2.483
   64    H    GLY   7           H        GLY   7  -1.463  -1.146   0.816
   65    HA2  GLY   7           HA2      GLY   7   0.256  -2.087   2.814
   66    HA3  GLY   7           HA3      GLY   7  -0.375  -3.052   1.488
   67    H    LYS   8           H        LYS   8   0.769  -2.029  -0.712
   68    HA   LYS   8           HA       LYS   8   3.314  -3.141  -0.744
   69    HB2  LYS   8           HB2      LYS   8   1.688  -2.411  -2.679
   70    HB3  LYS   8           HB3      LYS   8   2.631  -0.926  -2.637
   71    HG2  LYS   8           HG2      LYS   8   4.676  -2.236  -3.007
   72    HG3  LYS   8           HG3      LYS   8   3.698  -3.704  -3.106
   73    HD2  LYS   8           HD2      LYS   8   3.971  -3.136  -5.335
   74    HD3  LYS   8           HD3      LYS   8   2.408  -2.413  -4.951
   75    HE2  LYS   8           HE2      LYS   8   3.566  -0.748  -6.127
   76    HE3  LYS   8           HE3      LYS   8   3.710  -0.284  -4.432
   77    HZ1  LYS   8           HZ1      LYS   8   5.842  -1.987  -5.333
   78    HZ2  LYS   8           HZ2      LYS   8   5.768  -0.522  -6.176
   79    HZ3  LYS   8           HZ3      LYS   8   5.912  -0.521  -4.491
   80    H    ALA   9           H        ALA   9   2.310   0.183  -0.167
   81    HA   ALA   9           HA       ALA   9   4.925   1.303  -0.217
   82    HB1  ALA   9           HB1      ALA   9   3.353   2.940   1.401
   83    HB2  ALA   9           HB2      ALA   9   3.647   3.118  -0.329
   84    HB3  ALA   9           HB3      ALA   9   2.232   2.230   0.239
   85    H    ASP  10           H        ASP  10   2.815   0.128   2.374
   86    HA   ASP  10           HA       ASP  10   4.297   0.904   4.580
   87    HB2  ASP  10           HB2      ASP  10   2.041  -0.140   4.664
   88    HB3  ASP  10           HB3      ASP  10   2.776  -1.693   4.279
   89    H    VAL  11           H        VAL  11   4.439  -2.279   2.969
   90    HA   VAL  11           HA       VAL  11   6.647  -3.243   4.399
   91    HB   VAL  11           HB       VAL  11   5.238  -4.751   3.135
   92   HG11  VAL  11          HG11      VAL  11   6.363  -3.490   0.638
   93   HG12  VAL  11          HG12      VAL  11   5.196  -4.808   0.724
   94   HG13  VAL  11          HG13      VAL  11   4.744  -3.194   1.273
   95   HG21  VAL  11          HG21      VAL  11   6.917  -6.153   2.182
   96   HG22  VAL  11          HG22      VAL  11   7.984  -4.779   1.894
   97   HG23  VAL  11          HG23      VAL  11   7.647  -5.305   3.545
   98    H    ALA  12           H        ALA  12   6.437  -1.326   1.457
   99    HA   ALA  12           HA       ALA  12   9.184  -1.530   0.751
  100    HB1  ALA  12           HB1      ALA  12   6.896   0.170  -0.098
  101    HB2  ALA  12           HB2      ALA  12   8.530   0.683  -0.518
  102    HB3  ALA  12           HB3      ALA  12   7.935  -0.888  -1.052
  103    H    LEU  13           H        LEU  13  10.762  -0.828   2.036
  104    HA   LEU  13           HA       LEU  13  10.496   1.066   4.078
  105    HB2  LEU  13           HB2      LEU  13  12.297  -0.657   3.847
  106    HB3  LEU  13           HB3      LEU  13  13.035   0.366   2.616
  107    HG   LEU  13           HG       LEU  13  12.524   1.484   5.339
  108   HD11  LEU  13          HD11      LEU  13  14.290   0.463   6.340
  109   HD12  LEU  13          HD12      LEU  13  13.785  -0.848   5.274
  110   HD13  LEU  13          HD13      LEU  13  15.138   0.186   4.819
  111   HD21  LEU  13          HD21      LEU  13  13.343   3.160   4.032
  112   HD22  LEU  13          HD22      LEU  13  14.867   2.465   4.581
  113   HD23  LEU  13          HD23      LEU  13  14.239   2.060   2.984
  114    HN1  NH2  14           HN1      NH2  14  10.445   3.216   4.080
  115    HN2  NH2  14           HN2      NH2  14  10.887   4.274   2.815
  Start of MODEL    4
    1    H1   ILE   1           H        ILE   1  -5.647  -1.729  -4.880
    2    HA   ILE   1           HA       ILE   1  -7.688   0.239  -4.983
    3    HB   ILE   1           HB       ILE   1  -8.849  -0.444  -2.862
    4   HG12  ILE   1          HG12      ILE   1  -7.714  -3.174  -3.491
    5   HG13  ILE   1          HG13      ILE   1  -7.088  -2.127  -2.222
    6   HG21  ILE   1          HG21      ILE   1  -9.451  -2.581  -4.820
    7   HG22  ILE   1          HG22      ILE   1 -10.523  -1.414  -4.046
    8   HG23  ILE   1          HG23      ILE   1  -9.513  -0.917  -5.403
    9   HD11  ILE   1          HD11      ILE   1  -9.947  -3.035  -2.328
   10   HD12  ILE   1          HD12      ILE   1  -8.677  -3.926  -1.489
   11   HD13  ILE   1          HD13      ILE   1  -9.088  -2.288  -0.980
   12    H    PHE   2           H        PHE   2  -7.854   1.323  -2.669
   13    HA   PHE   2           HA       PHE   2  -5.377   2.408  -2.073
   14    HB2  PHE   2           HB2      PHE   2  -6.421   3.367  -0.095
   15    HB3  PHE   2           HB3      PHE   2  -7.539   3.436  -1.453
   16    HD1  PHE   2           HD1      PHE   2  -6.908   2.094   1.849
   17    HD2  PHE   2           HD2      PHE   2  -9.460   1.896  -1.552
   18    HE1  PHE   2           HE1      PHE   2  -8.609   0.937   3.197
   19    HE2  PHE   2           HE2      PHE   2 -11.166   0.739  -0.209
   20    HZ   PHE   2           HZ       PHE   2 -10.741   0.256   2.169
   21    H    TRP   3           H        TRP   3  -6.999  -0.376  -0.670
   22    HA   TRP   3           HA       TRP   3  -5.312  -0.755   1.545
   23    HB2  TRP   3           HB2      TRP   3  -7.541  -1.884   1.096
   24    HB3  TRP   3           HB3      TRP   3  -6.679  -2.960   0.000
   25    HD1  TRP   3           HD1      TRP   3  -5.289  -4.916   1.056
   26    HE1  TRP   3           HE1      TRP   3  -5.024  -5.810   3.455
   27    HE3  TRP   3           HE3      TRP   3  -7.460  -1.053   3.607
   28    HZ2  TRP   3           HZ2      TRP   3  -5.652  -4.987   6.081
   29    HZ3  TRP   3           HZ3      TRP   3  -7.588  -1.184   6.059
   30    HH2  TRP   3           HH2      TRP   3  -6.703  -3.112   7.269
   31    H    LEU   4           H        LEU   4  -5.061  -1.802  -1.809
   32    HA   LEU   4           HA       LEU   4  -2.748  -3.438  -1.351
   33    HB2  LEU   4           HB2      LEU   4  -4.127  -4.060  -3.162
   34    HB3  LEU   4           HB3      LEU   4  -4.125  -2.426  -3.821
   35    HG   LEU   4           HG       LEU   4  -1.684  -2.739  -4.324
   36   HD11  LEU   4          HD11      LEU   4  -1.077  -5.233  -4.532
   37   HD12  LEU   4          HD12      LEU   4  -0.959  -4.465  -2.950
   38   HD13  LEU   4          HD13      LEU   4  -2.346  -5.486  -3.335
   39   HD21  LEU   4          HD21      LEU   4  -2.106  -4.189  -6.292
   40   HD22  LEU   4          HD22      LEU   4  -3.690  -4.579  -5.621
   41   HD23  LEU   4          HD23      LEU   4  -3.314  -2.919  -6.083
   42    H    PHE   5           H        PHE   5  -3.317  -0.272  -2.870
   43    HA   PHE   5           HA       PHE   5  -0.683   0.313  -3.553
   44    HB2  PHE   5           HB2      PHE   5  -2.577   1.640  -4.349
   45    HB3  PHE   5           HB3      PHE   5  -2.881   2.216  -2.713
   46    HD1  PHE   5           HD1      PHE   5   0.255   1.893  -4.700
   47    HD2  PHE   5           HD2      PHE   5  -2.434   4.469  -2.639
   48    HE1  PHE   5           HE1      PHE   5   1.776   3.788  -5.091
   49    HE2  PHE   5           HE2      PHE   5  -0.918   6.368  -3.027
   50    HZ   PHE   5           HZ       PHE   5   1.189   6.029  -4.257
   51    H    ARG   6           H        ARG   6  -2.456   1.099  -0.574
   52    HA   ARG   6           HA       ARG   6  -0.307   2.413   0.702
   53    HB2  ARG   6           HB2      ARG   6  -2.756   2.543   1.328
   54    HB3  ARG   6           HB3      ARG   6  -2.570   0.962   2.075
   55    HG2  ARG   6           HG2      ARG   6  -0.965   1.834   3.639
   56    HG3  ARG   6           HG3      ARG   6  -0.982   3.403   2.832
   57    HD2  ARG   6           HD2      ARG   6  -3.315   2.101   4.232
   58    HD3  ARG   6           HD3      ARG   6  -2.342   3.430   4.862
   59    HE   ARG   6           HE       ARG   6  -4.463   3.601   2.947
   60   HH11  ARG   6          HH11      ARG   6  -1.502   5.075   4.037
   61   HH12  ARG   6          HH12      ARG   6  -1.908   6.646   3.430
   62   HH21  ARG   6          HH21      ARG   6  -5.008   5.666   2.144
   63   HH22  ARG   6          HH22      ARG   6  -3.903   6.982   2.354
   64    H    GLY   7           H        GLY   7  -1.528  -0.921   0.957
   65    HA2  GLY   7           HA2      GLY   7   0.232  -1.862   2.894
   66    HA3  GLY   7           HA3      GLY   7  -0.497  -2.854   1.639
   67    H    LYS   8           H        LYS   8   0.617  -2.042  -0.645
   68    HA   LYS   8           HA       LYS   8   3.101  -3.274  -0.696
   69    HB2  LYS   8           HB2      LYS   8   1.806  -1.318  -2.590
   70    HB3  LYS   8           HB3      LYS   8   3.368  -2.054  -2.929
   71    HG2  LYS   8           HG2      LYS   8   1.060  -3.810  -2.252
   72    HG3  LYS   8           HG3      LYS   8   1.162  -3.097  -3.863
   73    HD2  LYS   8           HD2      LYS   8   2.312  -5.039  -4.226
   74    HD3  LYS   8           HD3      LYS   8   3.643  -3.998  -3.716
   75    HE2  LYS   8           HE2      LYS   8   3.848  -5.025  -1.681
   76    HE3  LYS   8           HE3      LYS   8   2.149  -5.495  -1.626
   77    HZ1  LYS   8           HZ1      LYS   8   3.394  -7.456  -1.947
   78    HZ2  LYS   8           HZ2      LYS   8   2.694  -7.106  -3.447
   79    HZ3  LYS   8           HZ3      LYS   8   4.329  -6.769  -3.177
   80    H    ALA   9           H        ALA   9   2.279   0.117  -0.256
   81    HA   ALA   9           HA       ALA   9   4.978   1.055  -0.428
   82    HB1  ALA   9           HB1      ALA   9   3.696   3.042   0.881
   83    HB2  ALA   9           HB2      ALA   9   3.668   2.832  -0.872
   84    HB3  ALA   9           HB3      ALA   9   2.335   2.226   0.111
   85    H    ASP  10           H        ASP  10   2.804   0.111   2.176
   86    HA   ASP  10           HA       ASP  10   4.321   1.046   4.342
   87    HB2  ASP  10           HB2      ASP  10   2.028   0.335   4.651
   88    HB3  ASP  10           HB3      ASP  10   2.430  -1.305   4.152
   89    H    VAL  11           H        VAL  11   4.175  -2.246   2.975
   90    HA   VAL  11           HA       VAL  11   6.141  -3.416   4.533
   91    HB   VAL  11           HB       VAL  11   6.499  -4.987   2.610
   92   HG11  VAL  11          HG11      VAL  11   3.678  -5.148   2.591
   93   HG12  VAL  11          HG12      VAL  11   4.817  -6.060   3.582
   94   HG13  VAL  11          HG13      VAL  11   4.158  -4.535   4.174
   95   HG21  VAL  11          HG21      VAL  11   4.938  -4.749   0.685
   96   HG22  VAL  11          HG22      VAL  11   4.533  -3.135   1.269
   97   HG23  VAL  11          HG23      VAL  11   6.180  -3.499   0.753
   98    H    ALA  12           H        ALA  12   6.471  -1.490   1.597
   99    HA   ALA  12           HA       ALA  12   9.139  -1.933   0.999
  100    HB1  ALA  12           HB1      ALA  12   8.285  -0.643  -0.633
  101    HB2  ALA  12           HB2      ALA  12   7.189   0.198   0.462
  102    HB3  ALA  12           HB3      ALA  12   8.881   0.687   0.359
  103    H    LEU  13           H        LEU  13  10.967  -1.569   2.060
  104    HA   LEU  13           HA       LEU  13  12.430  -0.870   3.659
  105    HB2  LEU  13           HB2      LEU  13  10.961   1.733   3.268
  106    HB3  LEU  13           HB3      LEU  13  12.540   1.547   4.029
  107    HG   LEU  13           HG       LEU  13  11.879   1.033   1.130
  108   HD11  LEU  13          HD11      LEU  13  12.060   3.286   1.135
  109   HD12  LEU  13          HD12      LEU  13  12.992   3.321   2.631
  110   HD13  LEU  13          HD13      LEU  13  13.783   2.911   1.109
  111   HD21  LEU  13          HD21      LEU  13  14.415   0.664   2.708
  112   HD22  LEU  13          HD22      LEU  13  13.550  -0.528   1.738
  113   HD23  LEU  13          HD23      LEU  13  14.384   0.810   0.950
  114    HN1  NH2  14           HN1      NH2  14  10.229  -2.177   4.710
  115    HN2  NH2  14           HN2      NH2  14   9.818  -1.554   6.246
  Start of MODEL    5
    1    H1   ILE   1           H        ILE   1  -8.404   0.404  -6.293
    2    HA   ILE   1           HA       ILE   1  -7.467  -1.031  -4.466
    3    HB   ILE   1           HB       ILE   1  -5.233  -1.413  -5.483
    4   HG12  ILE   1          HG12      ILE   1  -5.965   0.759  -7.444
    5   HG13  ILE   1          HG13      ILE   1  -4.933   1.061  -6.052
    6   HG21  ILE   1          HG21      ILE   1  -6.103  -2.505  -7.284
    7   HG22  ILE   1          HG22      ILE   1  -7.598  -2.127  -6.428
    8   HG23  ILE   1          HG23      ILE   1  -7.083  -1.127  -7.787
    9   HD11  ILE   1          HD11      ILE   1  -3.174  -0.024  -6.953
   10   HD12  ILE   1          HD12      ILE   1  -4.185  -1.204  -7.787
   11   HD13  ILE   1          HD13      ILE   1  -3.988   0.417  -8.453
   12    H    PHE   2           H        PHE   2  -7.728   1.331  -3.091
   13    HA   PHE   2           HA       PHE   2  -5.261   2.517  -2.361
   14    HB2  PHE   2           HB2      PHE   2  -7.929   2.420  -0.947
   15    HB3  PHE   2           HB3      PHE   2  -6.562   3.380  -0.391
   16    HD1  PHE   2           HD1      PHE   2  -9.459   3.345  -2.402
   17    HD2  PHE   2           HD2      PHE   2  -5.572   5.055  -2.110
   18    HE1  PHE   2           HE1      PHE   2 -10.162   5.186  -3.877
   19    HE2  PHE   2           HE2      PHE   2  -6.269   6.897  -3.583
   20    HZ   PHE   2           HZ       PHE   2  -8.566   6.966  -4.468
   21    H    TRP   3           H        TRP   3  -7.293   0.079  -0.751
   22    HA   TRP   3           HA       TRP   3  -5.755  -0.366   1.497
   23    HB2  TRP   3           HB2      TRP   3  -7.453  -2.267  -0.121
   24    HB3  TRP   3           HB3      TRP   3  -6.712  -2.720   1.411
   25    HD1  TRP   3           HD1      TRP   3  -9.246  -0.140   0.031
   26    HE1  TRP   3           HE1      TRP   3 -10.898   0.439   1.919
   27    HE3  TRP   3           HE3      TRP   3  -7.106  -2.809   3.830
   28    HZ2  TRP   3           HZ2      TRP   3 -11.248  -0.157   4.655
   29    HZ3  TRP   3           HZ3      TRP   3  -8.162  -2.751   6.051
   30    HH2  TRP   3           HH2      TRP   3 -10.189  -1.452   6.455
   31    H    LEU   4           H        LEU   4  -5.471  -1.910  -1.689
   32    HA   LEU   4           HA       LEU   4  -3.253  -3.541  -0.946
   33    HB2  LEU   4           HB2      LEU   4  -4.568  -4.314  -2.737
   34    HB3  LEU   4           HB3      LEU   4  -4.482  -2.765  -3.573
   35    HG   LEU   4           HG       LEU   4  -2.107  -3.181  -4.062
   36   HD11  LEU   4          HD11      LEU   4  -1.857  -5.929  -3.653
   37   HD12  LEU   4          HD12      LEU   4  -0.996  -4.639  -2.812
   38   HD13  LEU   4          HD13      LEU   4  -2.491  -5.289  -2.137
   39   HD21  LEU   4          HD21      LEU   4  -3.950  -5.412  -4.917
   40   HD22  LEU   4          HD22      LEU   4  -3.819  -3.827  -5.679
   41   HD23  LEU   4          HD23      LEU   4  -2.452  -4.940  -5.719
   42    H    PHE   5           H        PHE   5  -3.593  -0.472  -2.684
   43    HA   PHE   5           HA       PHE   5  -0.960  -0.095  -3.463
   44    HB2  PHE   5           HB2      PHE   5  -2.725   1.377  -4.231
   45    HB3  PHE   5           HB3      PHE   5  -3.004   1.955  -2.592
   46    HD1  PHE   5           HD1      PHE   5  -0.709   2.036  -5.457
   47    HD2  PHE   5           HD2      PHE   5  -1.602   3.614  -1.607
   48    HE1  PHE   5           HE1      PHE   5   0.916   3.846  -5.826
   49    HE2  PHE   5           HE2      PHE   5   0.021   5.427  -1.969
   50    HZ   PHE   5           HZ       PHE   5   1.282   5.546  -4.082
   51    H    ARG   6           H        ARG   6  -2.518   1.082  -0.480
   52    HA   ARG   6           HA       ARG   6  -0.287   2.231   0.700
   53    HB2  ARG   6           HB2      ARG   6  -2.483   2.579   1.624
   54    HB3  ARG   6           HB3      ARG   6  -2.662   0.864   1.969
   55    HG2  ARG   6           HG2      ARG   6  -2.193   2.058   4.003
   56    HG3  ARG   6           HG3      ARG   6  -0.821   1.026   3.596
   57    HD2  ARG   6           HD2      ARG   6   0.271   3.016   2.557
   58    HD3  ARG   6           HD3      ARG   6  -1.055   4.001   3.176
   59    HE   ARG   6           HE       ARG   6   1.172   2.981   4.656
   60   HH11  ARG   6          HH11      ARG   6  -2.158   3.969   4.873
   61   HH12  ARG   6          HH12      ARG   6  -2.068   4.363   6.558
   62   HH21  ARG   6          HH21      ARG   6   1.305   3.495   6.876
   63   HH22  ARG   6          HH22      ARG   6  -0.098   4.094   7.696
   64    H    GLY   7           H        GLY   7  -1.344  -1.134   0.685
   65    HA2  GLY   7           HA2      GLY   7   0.314  -2.201   2.630
   66    HA3  GLY   7           HA3      GLY   7  -0.215  -3.067   1.194
   67    H    LYS   8           H        LYS   8   1.034  -1.947  -0.855
   68    HA   LYS   8           HA       LYS   8   3.617  -2.963  -0.770
   69    HB2  LYS   8           HB2      LYS   8   2.113  -2.271  -2.786
   70    HB3  LYS   8           HB3      LYS   8   2.902  -0.708  -2.618
   71    HG2  LYS   8           HG2      LYS   8   4.510  -3.221  -2.842
   72    HG3  LYS   8           HG3      LYS   8   3.871  -2.413  -4.276
   73    HD2  LYS   8           HD2      LYS   8   4.959  -0.295  -3.114
   74    HD3  LYS   8           HD3      LYS   8   5.975  -1.531  -2.367
   75    HE2  LYS   8           HE2      LYS   8   6.917  -2.156  -4.367
   76    HE3  LYS   8           HE3      LYS   8   5.529  -1.619  -5.312
   77    HZ1  LYS   8           HZ1      LYS   8   6.993   0.027  -5.800
   78    HZ2  LYS   8           HZ2      LYS   8   6.317   0.706  -4.406
   79    HZ3  LYS   8           HZ3      LYS   8   7.811  -0.083  -4.323
   80    H    ALA   9           H        ALA   9   2.481   0.348  -0.266
   81    HA   ALA   9           HA       ALA   9   5.032   1.549  -0.082
   82    HB1  ALA   9           HB1      ALA   9   2.880   2.758  -0.458
   83    HB2  ALA   9           HB2      ALA   9   2.501   2.502   1.245
   84    HB3  ALA   9           HB3      ALA   9   3.905   3.467   0.789
   85    H    ASP  10           H        ASP  10   2.926   0.019   2.288
   86    HA   ASP  10           HA       ASP  10   4.343   0.822   4.597
   87    HB2  ASP  10           HB2      ASP  10   2.063  -0.032   4.735
   88    HB3  ASP  10           HB3      ASP  10   2.592  -1.601   4.132
   89    H    VAL  11           H        VAL  11   4.353  -2.304   2.876
   90    HA   VAL  11           HA       VAL  11   6.409  -3.493   4.338
   91    HB   VAL  11           HB       VAL  11   6.727  -4.977   2.365
   92   HG11  VAL  11          HG11      VAL  11   5.104  -6.042   3.460
   93   HG12  VAL  11          HG12      VAL  11   4.277  -4.534   3.854
   94   HG13  VAL  11          HG13      VAL  11   3.982  -5.323   2.303
   95   HG21  VAL  11          HG21      VAL  11   5.108  -4.677   0.473
   96   HG22  VAL  11          HG22      VAL  11   4.763  -3.069   1.109
   97   HG23  VAL  11          HG23      VAL  11   6.388  -3.467   0.550
   98    H    ALA  12           H        ALA  12   6.520  -1.368   1.535
   99    HA   ALA  12           HA       ALA  12   9.382  -0.986   1.997
  100    HB1  ALA  12           HB1      ALA  12   8.324  -2.443  -0.211
  101    HB2  ALA  12           HB2      ALA  12   9.039  -0.945  -0.808
  102    HB3  ALA  12           HB3      ALA  12  10.005  -2.060   0.160
  103    H    LEU  13           H        LEU  13   9.870   1.107   2.043
  104    HA   LEU  13           HA       LEU  13   7.893   3.085   1.448
  105    HB2  LEU  13           HB2      LEU  13   9.462   4.676   2.261
  106    HB3  LEU  13           HB3      LEU  13   9.551   3.252   3.295
  107    HG   LEU  13           HG       LEU  13  11.552   2.664   1.638
  108   HD11  LEU  13          HD11      LEU  13  12.230   4.324   0.339
  109   HD12  LEU  13          HD12      LEU  13  10.885   5.314   0.905
  110   HD13  LEU  13          HD13      LEU  13  12.432   5.365   1.748
  111   HD21  LEU  13          HD21      LEU  13  12.933   4.195   3.343
  112   HD22  LEU  13          HD22      LEU  13  11.376   4.179   4.173
  113   HD23  LEU  13          HD23      LEU  13  12.197   2.661   3.809
  114    HN1  NH2  14           HN1      NH2  14  10.841   1.942  -0.100
  115    HN2  NH2  14           HN2      NH2  14  10.705   2.814  -1.563
  Start of MODEL    6
    1    H1   ILE   1           H        ILE   1  -8.850   0.325  -3.958
    2    HA   ILE   1           HA       ILE   1  -6.430  -0.903  -5.108
    3    HB   ILE   1           HB       ILE   1  -7.501   0.487  -6.784
    4   HG12  ILE   1          HG12      ILE   1  -5.213   2.164  -5.811
    5   HG13  ILE   1          HG13      ILE   1  -4.927   0.497  -6.297
    6   HG21  ILE   1          HG21      ILE   1  -7.226   2.788  -4.858
    7   HG22  ILE   1          HG22      ILE   1  -7.936   2.827  -6.471
    8   HG23  ILE   1          HG23      ILE   1  -8.732   1.929  -5.178
    9   HD11  ILE   1          HD11      ILE   1  -6.208   1.222  -8.452
   10   HD12  ILE   1          HD12      ILE   1  -5.732   2.841  -7.938
   11   HD13  ILE   1          HD13      ILE   1  -4.501   1.614  -8.244
   12    H    PHE   2           H        PHE   2  -7.751   1.539  -2.949
   13    HA   PHE   2           HA       PHE   2  -5.372   2.726  -2.099
   14    HB2  PHE   2           HB2      PHE   2  -7.952   2.271  -0.589
   15    HB3  PHE   2           HB3      PHE   2  -6.651   3.318  -0.034
   16    HD1  PHE   2           HD1      PHE   2  -9.231   2.852  -2.617
   17    HD2  PHE   2           HD2      PHE   2  -6.343   5.490  -0.939
   18    HE1  PHE   2           HE1      PHE   2 -10.189   4.716  -3.906
   19    HE2  PHE   2           HE2      PHE   2  -7.297   7.358  -2.225
   20    HZ   PHE   2           HZ       PHE   2  -9.221   6.973  -3.713
   21    H    TRP   3           H        TRP   3  -7.183   0.053  -0.589
   22    HA   TRP   3           HA       TRP   3  -5.404  -0.481   1.481
   23    HB2  TRP   3           HB2      TRP   3  -6.396  -2.790   1.449
   24    HB3  TRP   3           HB3      TRP   3  -7.580  -1.487   1.498
   25    HD1  TRP   3           HD1      TRP   3  -9.207  -1.231  -0.564
   26    HE1  TRP   3           HE1      TRP   3  -9.714  -2.725  -2.597
   27    HE3  TRP   3           HE3      TRP   3  -5.249  -4.448  -0.215
   28    HZ2  TRP   3           HZ2      TRP   3  -8.586  -4.971  -3.883
   29    HZ3  TRP   3           HZ3      TRP   3  -5.037  -6.242  -1.887
   30    HH2  TRP   3           HH2      TRP   3  -6.671  -6.496  -3.681
   31    H    LEU   4           H        LEU   4  -5.367  -1.538  -1.874
   32    HA   LEU   4           HA       LEU   4  -3.304  -3.459  -1.598
   33    HB2  LEU   4           HB2      LEU   4  -4.998  -3.004  -3.536
   34    HB3  LEU   4           HB3      LEU   4  -3.731  -1.933  -4.127
   35    HG   LEU   4           HG       LEU   4  -3.274  -4.852  -3.547
   36   HD11  LEU   4          HD11      LEU   4  -4.693  -5.178  -5.272
   37   HD12  LEU   4          HD12      LEU   4  -4.519  -3.529  -5.873
   38   HD13  LEU   4          HD13      LEU   4  -3.277  -4.731  -6.226
   39   HD21  LEU   4          HD21      LEU   4  -1.668  -2.607  -4.560
   40   HD22  LEU   4          HD22      LEU   4  -1.168  -4.085  -3.739
   41   HD23  LEU   4          HD23      LEU   4  -1.521  -4.112  -5.467
   42    H    PHE   5           H        PHE   5  -3.205  -0.180  -3.009
   43    HA   PHE   5           HA       PHE   5  -0.465   0.005  -3.344
   44    HB2  PHE   5           HB2      PHE   5  -2.335   1.629  -4.076
   45    HB3  PHE   5           HB3      PHE   5  -2.117   2.371  -2.494
   46    HD1  PHE   5           HD1      PHE   5  -0.260   1.418  -5.567
   47    HD2  PHE   5           HD2      PHE   5  -0.477   3.977  -2.171
   48    HE1  PHE   5           HE1      PHE   5   1.611   2.747  -6.453
   49    HE2  PHE   5           HE2      PHE   5   1.393   5.311  -3.054
   50    HZ   PHE   5           HZ       PHE   5   2.440   4.696  -5.196
   51    H    ARG   6           H        ARG   6  -2.388   1.092  -0.551
   52    HA   ARG   6           HA       ARG   6  -0.344   2.073   1.028
   53    HB2  ARG   6           HB2      ARG   6  -2.958   0.752   1.705
   54    HB3  ARG   6           HB3      ARG   6  -1.862   1.289   2.971
   55    HG2  ARG   6           HG2      ARG   6  -2.869   3.107   0.801
   56    HG3  ARG   6           HG3      ARG   6  -3.696   2.890   2.344
   57    HD2  ARG   6           HD2      ARG   6  -1.330   3.430   3.334
   58    HD3  ARG   6           HD3      ARG   6  -1.068   4.173   1.757
   59    HE   ARG   6           HE       ARG   6  -2.709   5.168   3.883
   60   HH11  ARG   6          HH11      ARG   6  -2.252   5.130   0.433
   61   HH12  ARG   6          HH12      ARG   6  -3.064   6.638   0.176
   62   HH21  ARG   6          HH21      ARG   6  -3.780   7.155   3.559
   63   HH22  ARG   6          HH22      ARG   6  -3.932   7.790   1.957
   64    H    GLY   7           H        GLY   7  -1.567  -1.260   0.839
   65    HA2  GLY   7           HA2      GLY   7  -0.016  -2.422   2.821
   66    HA3  GLY   7           HA3      GLY   7  -0.572  -3.258   1.379
   67    H    LYS   8           H        LYS   8   0.783  -2.186  -0.646
   68    HA   LYS   8           HA       LYS   8   3.337  -3.335  -0.430
   69    HB2  LYS   8           HB2      LYS   8   2.138  -1.452  -2.458
   70    HB3  LYS   8           HB3      LYS   8   3.759  -2.115  -2.624
   71    HG2  LYS   8           HG2      LYS   8   1.334  -3.855  -2.298
   72    HG3  LYS   8           HG3      LYS   8   1.905  -3.299  -3.872
   73    HD2  LYS   8           HD2      LYS   8   3.835  -4.557  -3.767
   74    HD3  LYS   8           HD3      LYS   8   3.826  -4.614  -2.001
   75    HE2  LYS   8           HE2      LYS   8   1.732  -5.987  -3.666
   76    HE3  LYS   8           HE3      LYS   8   3.254  -6.767  -3.239
   77    HZ1  LYS   8           HZ1      LYS   8   1.052  -5.928  -1.465
   78    HZ2  LYS   8           HZ2      LYS   8   1.809  -7.437  -1.579
   79    HZ3  LYS   8           HZ3      LYS   8   2.617  -6.138  -0.855
   80    H    ALA   9           H        ALA   9   2.355   0.085  -0.538
   81    HA   ALA   9           HA       ALA   9   4.863   1.251  -0.358
   82    HB1  ALA   9           HB1      ALA   9   3.783   3.242   0.229
   83    HB2  ALA   9           HB2      ALA   9   2.583   2.356  -0.712
   84    HB3  ALA   9           HB3      ALA   9   2.472   2.395   1.047
   85    H    ASP  10           H        ASP  10   2.769   0.034   2.213
   86    HA   ASP  10           HA       ASP  10   4.203   0.986   4.413
   87    HB2  ASP  10           HB2      ASP  10   2.042   0.086   4.810
   88    HB3  ASP  10           HB3      ASP  10   2.459  -1.446   4.044
   89    H    VAL  11           H        VAL  11   4.641  -1.913   2.455
   90    HA   VAL  11           HA       VAL  11   6.457  -3.312   3.999
   91    HB   VAL  11           HB       VAL  11   6.512  -3.056   0.990
   92   HG11  VAL  11          HG11      VAL  11   8.532  -4.072   1.991
   93   HG12  VAL  11          HG12      VAL  11   7.510  -5.287   2.757
   94   HG13  VAL  11          HG13      VAL  11   7.614  -5.204   0.999
   95   HG21  VAL  11          HG21      VAL  11   4.867  -4.743   2.846
   96   HG22  VAL  11          HG22      VAL  11   4.336  -3.744   1.493
   97   HG23  VAL  11          HG23      VAL  11   5.199  -5.252   1.190
   98    H    ALA  12           H        ALA  12   7.217  -0.936   1.450
   99    HA   ALA  12           HA       ALA  12   9.692  -0.294   2.892
  100    HB1  ALA  12           HB1      ALA  12  10.540  -0.006   0.350
  101    HB2  ALA  12           HB2      ALA  12  10.782  -1.468   1.306
  102    HB3  ALA  12           HB3      ALA  12   9.441  -1.372   0.163
  103    H    LEU  13           H        LEU  13   9.479   1.768   3.460
  104    HA   LEU  13           HA       LEU  13   7.887   3.604   1.896
  105    HB2  LEU  13           HB2      LEU  13   8.329   5.194   3.669
  106    HB3  LEU  13           HB3      LEU  13   7.796   3.652   4.333
  107    HG   LEU  13           HG       LEU  13  10.423   3.279   4.542
  108   HD11  LEU  13          HD11      LEU  13  10.660   5.997   5.434
  109   HD12  LEU  13          HD12      LEU  13  11.693   5.085   4.332
  110   HD13  LEU  13          HD13      LEU  13  10.286   5.951   3.711
  111   HD21  LEU  13          HD21      LEU  13   9.073   5.032   6.563
  112   HD22  LEU  13          HD22      LEU  13   8.543   3.371   6.296
  113   HD23  LEU  13          HD23      LEU  13  10.194   3.695   6.821
  114    HN1  NH2  14           HN1      NH2  14  11.291   3.079   2.646
  115    HN2  NH2  14           HN2      NH2  14  11.959   4.191   1.535
  Start of MODEL    7
    1    H1   ILE   1           H        ILE   1  -5.982  -1.095  -6.037
    2    HA   ILE   1           HA       ILE   1  -8.183   0.375  -4.746
    3    HB   ILE   1           HB       ILE   1  -6.960  -2.242  -3.868
    4   HG12  ILE   1          HG12      ILE   1  -9.435  -2.939  -4.567
    5   HG13  ILE   1          HG13      ILE   1  -9.238  -1.584  -5.673
    6   HG21  ILE   1          HG21      ILE   1  -9.545  -1.867  -2.824
    7   HG22  ILE   1          HG22      ILE   1  -8.013  -1.871  -1.951
    8   HG23  ILE   1          HG23      ILE   1  -8.672  -0.355  -2.569
    9   HD11  ILE   1          HD11      ILE   1  -6.970  -3.414  -5.649
   10   HD12  ILE   1          HD12      ILE   1  -8.485  -4.153  -6.166
   11   HD13  ILE   1          HD13      ILE   1  -7.868  -2.729  -7.003
   12    H    PHE   2           H        PHE   2  -7.803   1.583  -2.973
   13    HA   PHE   2           HA       PHE   2  -5.233   2.492  -2.382
   14    HB2  PHE   2           HB2      PHE   2  -7.865   2.673  -0.949
   15    HB3  PHE   2           HB3      PHE   2  -6.402   3.299  -0.195
   16    HD1  PHE   2           HD1      PHE   2  -8.281   3.485  -3.409
   17    HD2  PHE   2           HD2      PHE   2  -5.813   5.487  -0.578
   18    HE1  PHE   2           HE1      PHE   2  -8.531   5.579  -4.676
   19    HE2  PHE   2           HE2      PHE   2  -6.061   7.585  -1.840
   20    HZ   PHE   2           HZ       PHE   2  -7.420   7.632  -3.892
   21    H    TRP   3           H        TRP   3  -7.158  -0.056  -0.908
   22    HA   TRP   3           HA       TRP   3  -5.663  -0.524   1.387
   23    HB2  TRP   3           HB2      TRP   3  -7.854  -1.586   0.851
   24    HB3  TRP   3           HB3      TRP   3  -7.031  -2.616  -0.317
   25    HD1  TRP   3           HD1      TRP   3  -7.006  -1.917   3.493
   26    HE1  TRP   3           HE1      TRP   3  -6.330  -4.093   4.694
   27    HE3  TRP   3           HE3      TRP   3  -6.026  -4.830  -0.591
   28    HZ2  TRP   3           HZ2      TRP   3  -5.492  -6.697   4.002
   29    HZ3  TRP   3           HZ3      TRP   3  -5.292  -7.151  -0.237
   30    HH2  TRP   3           HH2      TRP   3  -5.030  -8.064   2.014
   31    H    LEU   4           H        LEU   4  -5.195  -1.748  -1.900
   32    HA   LEU   4           HA       LEU   4  -2.925  -3.352  -1.180
   33    HB2  LEU   4           HB2      LEU   4  -4.193  -4.109  -3.020
   34    HB3  LEU   4           HB3      LEU   4  -4.149  -2.528  -3.797
   35    HG   LEU   4           HG       LEU   4  -1.810  -2.819  -4.342
   36   HD11  LEU   4          HD11      LEU   4  -0.626  -4.043  -2.891
   37   HD12  LEU   4          HD12      LEU   4  -2.026  -5.000  -2.404
   38   HD13  LEU   4          HD13      LEU   4  -1.138  -5.416  -3.870
   39   HD21  LEU   4          HD21      LEU   4  -3.053  -5.424  -5.110
   40   HD22  LEU   4          HD22      LEU   4  -3.758  -3.912  -5.680
   41   HD23  LEU   4          HD23      LEU   4  -2.088  -4.312  -6.080
   42    H    PHE   5           H        PHE   5  -3.426  -0.224  -2.760
   43    HA   PHE   5           HA       PHE   5  -0.798   0.325  -3.488
   44    HB2  PHE   5           HB2      PHE   5  -3.204   1.976  -2.892
   45    HB3  PHE   5           HB3      PHE   5  -1.650   2.801  -2.958
   46    HD1  PHE   5           HD1      PHE   5  -3.276   0.091  -4.948
   47    HD2  PHE   5           HD2      PHE   5  -1.323   3.873  -4.951
   48    HE1  PHE   5           HE1      PHE   5  -3.426   0.164  -7.404
   49    HE2  PHE   5           HE2      PHE   5  -1.469   3.952  -7.405
   50    HZ   PHE   5           HZ       PHE   5  -2.520   2.095  -8.636
   51    H    ARG   6           H        ARG   6  -2.437   0.749  -0.399
   52    HA   ARG   6           HA       ARG   6  -0.181   2.065   0.822
   53    HB2  ARG   6           HB2      ARG   6  -2.507   2.549   1.513
   54    HB3  ARG   6           HB3      ARG   6  -2.661   0.897   2.097
   55    HG2  ARG   6           HG2      ARG   6  -1.326   1.267   3.922
   56    HG3  ARG   6           HG3      ARG   6  -0.452   2.590   3.148
   57    HD2  ARG   6           HD2      ARG   6  -3.365   2.847   3.802
   58    HD3  ARG   6           HD3      ARG   6  -2.136   3.130   5.035
   59    HE   ARG   6           HE       ARG   6  -2.846   4.873   2.897
   60   HH11  ARG   6          HH11      ARG   6  -0.183   3.829   4.882
   61   HH12  ARG   6          HH12      ARG   6   0.698   5.310   4.708
   62   HH21  ARG   6          HH21      ARG   6  -1.695   6.828   2.659
   63   HH22  ARG   6          HH22      ARG   6  -0.164   7.015   3.443
   64    H    GLY   7           H        GLY   7  -1.625  -1.165   0.866
   65    HA2  GLY   7           HA2      GLY   7  -0.097  -2.313   2.893
   66    HA3  GLY   7           HA3      GLY   7  -0.777  -3.191   1.529
   67    H    LYS   8           H        LYS   8   0.683  -1.835  -0.515
   68    HA   LYS   8           HA       LYS   8   3.104  -3.353  -0.412
   69    HB2  LYS   8           HB2      LYS   8   1.628  -2.711  -2.465
   70    HB3  LYS   8           HB3      LYS   8   2.564  -1.223  -2.455
   71    HG2  LYS   8           HG2      LYS   8   3.652  -2.625  -3.979
   72    HG3  LYS   8           HG3      LYS   8   4.630  -2.697  -2.512
   73    HD2  LYS   8           HD2      LYS   8   3.896  -4.845  -1.983
   74    HD3  LYS   8           HD3      LYS   8   2.471  -4.716  -3.017
   75    HE2  LYS   8           HE2      LYS   8   5.325  -4.848  -3.988
   76    HE3  LYS   8           HE3      LYS   8   4.199  -6.205  -3.955
   77    HZ1  LYS   8           HZ1      LYS   8   4.461  -4.140  -5.887
   78    HZ2  LYS   8           HZ2      LYS   8   3.564  -5.572  -5.968
   79    HZ3  LYS   8           HZ3      LYS   8   2.882  -4.185  -5.279
   80    H    ALA   9           H        ALA   9   2.348   0.118  -0.388
   81    HA   ALA   9           HA       ALA   9   4.971   1.080  -0.310
   82    HB1  ALA   9           HB1      ALA   9   3.544   2.796  -0.704
   83    HB2  ALA   9           HB2      ALA   9   2.305   2.162   0.379
   84    HB3  ALA   9           HB3      ALA   9   3.706   3.004   1.039
   85    H    ASP  10           H        ASP  10   2.830  -0.000   2.274
   86    HA   ASP  10           HA       ASP  10   4.215   0.885   4.496
   87    HB2  ASP  10           HB2      ASP  10   2.624  -1.641   4.055
   88    HB3  ASP  10           HB3      ASP  10   3.265  -1.182   5.630
   89    H    VAL  11           H        VAL  11   4.775  -2.007   2.539
   90    HA   VAL  11           HA       VAL  11   6.796  -3.128   4.161
   91    HB   VAL  11           HB       VAL  11   6.498  -3.452   1.173
   92   HG11  VAL  11          HG11      VAL  11   8.594  -4.314   2.018
   93   HG12  VAL  11          HG12      VAL  11   7.751  -5.202   3.287
   94   HG13  VAL  11          HG13      VAL  11   7.529  -5.656   1.597
   95   HG21  VAL  11          HG21      VAL  11   4.424  -4.147   1.779
   96   HG22  VAL  11          HG22      VAL  11   5.303  -5.632   2.148
   97   HG23  VAL  11          HG23      VAL  11   4.907  -4.498   3.439
   98    H    ALA  12           H        ALA  12   6.881  -0.829   1.489
   99    HA   ALA  12           HA       ALA  12   9.742  -0.765   1.332
  100    HB1  ALA  12           HB1      ALA  12   7.873  -0.109  -0.431
  101    HB2  ALA  12           HB2      ALA  12   8.120   1.486   0.279
  102    HB3  ALA  12           HB3      ALA  12   9.476   0.627  -0.450
  103    H    LEU  13           H        LEU  13  10.695   1.632   1.371
  104    HA   LEU  13           HA       LEU  13  11.544   3.228   2.758
  105    HB2  LEU  13           HB2      LEU  13   8.590   3.438   3.225
  106    HB3  LEU  13           HB3      LEU  13   9.724   4.500   4.058
  107    HG   LEU  13           HG       LEU  13  10.554   5.127   1.710
  108   HD11  LEU  13          HD11      LEU  13   8.055   3.606   1.088
  109   HD12  LEU  13          HD12      LEU  13   8.557   4.957   0.073
  110   HD13  LEU  13          HD13      LEU  13   9.622   3.566   0.278
  111   HD21  LEU  13          HD21      LEU  13   9.515   6.918   2.587
  112   HD22  LEU  13          HD22      LEU  13   8.214   6.477   1.481
  113   HD23  LEU  13          HD23      LEU  13   8.145   5.970   3.168
  114    HN1  NH2  14           HN1      NH2  14  11.690   0.612   3.781
  115    HN2  NH2  14           HN2      NH2  14  11.633   0.642   5.487
  Start of MODEL    8
    1    H1   ILE   1           H        ILE   1  -6.616  -0.268  -6.233
    2    HA   ILE   1           HA       ILE   1  -8.543   0.022  -4.048
    3    HB   ILE   1           HB       ILE   1  -6.383  -2.066  -4.342
    4   HG12  ILE   1          HG12      ILE   1  -9.317  -2.254  -5.060
    5   HG13  ILE   1          HG13      ILE   1  -7.994  -2.156  -6.218
    6   HG21  ILE   1          HG21      ILE   1  -7.448  -3.228  -2.598
    7   HG22  ILE   1          HG22      ILE   1  -7.389  -1.549  -2.062
    8   HG23  ILE   1          HG23      ILE   1  -8.890  -2.219  -2.696
    9   HD11  ILE   1          HD11      ILE   1  -7.177  -4.277  -4.835
   10   HD12  ILE   1          HD12      ILE   1  -8.914  -4.423  -4.567
   11   HD13  ILE   1          HD13      ILE   1  -8.273  -4.394  -6.211
   12    H    PHE   2           H        PHE   2  -7.947   1.713  -2.804
   13    HA   PHE   2           HA       PHE   2  -5.403   2.669  -2.312
   14    HB2  PHE   2           HB2      PHE   2  -6.341   3.767  -0.337
   15    HB3  PHE   2           HB3      PHE   2  -7.461   3.869  -1.692
   16    HD1  PHE   2           HD1      PHE   2  -6.932   2.676   1.668
   17    HD2  PHE   2           HD2      PHE   2  -9.461   2.391  -1.744
   18    HE1  PHE   2           HE1      PHE   2  -8.702   1.692   3.066
   19    HE2  PHE   2           HE2      PHE   2 -11.234   1.408  -0.352
   20    HZ   PHE   2           HZ       PHE   2 -10.855   1.055   2.057
   21    H    TRP   3           H        TRP   3  -7.142   0.063  -0.716
   22    HA   TRP   3           HA       TRP   3  -5.443  -0.303   1.480
   23    HB2  TRP   3           HB2      TRP   3  -7.436  -1.971   0.038
   24    HB3  TRP   3           HB3      TRP   3  -6.300  -2.811   1.092
   25    HD1  TRP   3           HD1      TRP   3  -9.635  -1.647   1.288
   26    HE1  TRP   3           HE1      TRP   3 -10.326  -0.970   3.673
   27    HE3  TRP   3           HE3      TRP   3  -4.994  -1.248   3.397
   28    HZ2  TRP   3           HZ2      TRP   3  -9.071  -0.348   6.124
   29    HZ3  TRP   3           HZ3      TRP   3  -4.827  -0.607   5.766
   30    HH2  TRP   3           HH2      TRP   3  -6.823  -0.166   7.099
   31    H    LEU   4           H        LEU   4  -5.521  -2.229  -1.525
   32    HA   LEU   4           HA       LEU   4  -3.212  -3.687  -1.097
   33    HB2  LEU   4           HB2      LEU   4  -5.033  -3.314  -3.187
   34    HB3  LEU   4           HB3      LEU   4  -3.450  -2.965  -3.877
   35    HG   LEU   4           HG       LEU   4  -4.159  -5.306  -4.206
   36   HD11  LEU   4          HD11      LEU   4  -1.813  -5.192  -2.331
   37   HD12  LEU   4          HD12      LEU   4  -2.073  -6.275  -3.697
   38   HD13  LEU   4          HD13      LEU   4  -1.750  -4.564  -3.977
   39   HD21  LEU   4          HD21      LEU   4  -5.280  -5.266  -1.828
   40   HD22  LEU   4          HD22      LEU   4  -4.636  -6.762  -2.504
   41   HD23  LEU   4          HD23      LEU   4  -3.699  -5.857  -1.316
   42    H    PHE   5           H        PHE   5  -3.557  -0.567  -2.765
   43    HA   PHE   5           HA       PHE   5  -0.905  -0.207  -3.512
   44    HB2  PHE   5           HB2      PHE   5  -2.606   1.263  -4.367
   45    HB3  PHE   5           HB3      PHE   5  -3.009   1.822  -2.748
   46    HD1  PHE   5           HD1      PHE   5  -0.389   1.873  -5.353
   47    HD2  PHE   5           HD2      PHE   5  -1.853   3.610  -1.754
   48    HE1  PHE   5           HE1      PHE   5   1.215   3.723  -5.596
   49    HE2  PHE   5           HE2      PHE   5  -0.252   5.463  -1.992
   50    HZ   PHE   5           HZ       PHE   5   1.286   5.520  -3.915
   51    H    ARG   6           H        ARG   6  -2.538   0.894  -0.547
   52    HA   ARG   6           HA       ARG   6  -0.373   2.135   0.668
   53    HB2  ARG   6           HB2      ARG   6  -2.882   1.957   1.378
   54    HB3  ARG   6           HB3      ARG   6  -2.337   0.557   2.292
   55    HG2  ARG   6           HG2      ARG   6  -0.540   2.205   3.211
   56    HG3  ARG   6           HG3      ARG   6  -1.679   3.439   2.669
   57    HD2  ARG   6           HD2      ARG   6  -2.377   3.103   4.836
   58    HD3  ARG   6           HD3      ARG   6  -3.420   1.985   3.961
   59    HE   ARG   6           HE       ARG   6  -1.274   0.466   4.625
   60   HH11  ARG   6          HH11      ARG   6  -3.439   2.508   6.431
   61   HH12  ARG   6          HH12      ARG   6  -3.305   1.581   7.890
   62   HH21  ARG   6          HH21      ARG   6  -1.089  -0.761   6.540
   63   HH22  ARG   6          HH22      ARG   6  -1.967  -0.276   7.951
   64    H    GLY   7           H        GLY   7  -1.354  -1.269   0.749
   65    HA2  GLY   7           HA2      GLY   7   0.465  -2.205   2.642
   66    HA3  GLY   7           HA3      GLY   7  -0.192  -3.164   1.323
   67    H    LYS   8           H        LYS   8   0.896  -1.718  -0.836
   68    HA   LYS   8           HA       LYS   8   3.419  -2.925  -1.064
   69    HB2  LYS   8           HB2      LYS   8   1.909  -2.244  -2.957
   70    HB3  LYS   8           HB3      LYS   8   2.407  -0.580  -2.679
   71    HG2  LYS   8           HG2      LYS   8   3.809  -1.208  -4.382
   72    HG3  LYS   8           HG3      LYS   8   4.809  -1.534  -2.965
   73    HD2  LYS   8           HD2      LYS   8   3.781  -3.911  -3.101
   74    HD3  LYS   8           HD3      LYS   8   3.378  -3.458  -4.758
   75    HE2  LYS   8           HE2      LYS   8   6.156  -3.193  -3.636
   76    HE3  LYS   8           HE3      LYS   8   5.583  -4.677  -4.397
   77    HZ1  LYS   8           HZ1      LYS   8   5.159  -2.235  -5.908
   78    HZ2  LYS   8           HZ2      LYS   8   6.773  -2.708  -5.726
   79    HZ3  LYS   8           HZ3      LYS   8   5.657  -3.764  -6.435
   80    H    ALA   9           H        ALA   9   2.458   0.337  -0.154
   81    HA   ALA   9           HA       ALA   9   5.154   1.339  -0.095
   82    HB1  ALA   9           HB1      ALA   9   2.543   2.481   0.878
   83    HB2  ALA   9           HB2      ALA   9   4.086   3.327   0.998
   84    HB3  ALA   9           HB3      ALA   9   3.431   2.907  -0.586
   85    H    ASP  10           H        ASP  10   2.830   0.112   2.251
   86    HA   ASP  10           HA       ASP  10   4.093   0.833   4.615
   87    HB2  ASP  10           HB2      ASP  10   1.833  -0.234   4.411
   88    HB3  ASP  10           HB3      ASP  10   2.640  -1.773   4.125
   89    H    VAL  11           H        VAL  11   4.386  -2.300   2.927
   90    HA   VAL  11           HA       VAL  11   6.360  -3.425   4.489
   91    HB   VAL  11           HB       VAL  11   7.014  -4.736   2.462
   92   HG11  VAL  11          HG11      VAL  11   4.888  -5.901   2.257
   93   HG12  VAL  11          HG12      VAL  11   5.184  -5.442   3.935
   94   HG13  VAL  11          HG13      VAL  11   4.046  -4.516   2.954
   95   HG21  VAL  11          HG21      VAL  11   5.565  -4.420   0.441
   96   HG22  VAL  11          HG22      VAL  11   5.028  -2.894   1.143
   97   HG23  VAL  11          HG23      VAL  11   6.727  -3.124   0.728
   98    H    ALA  12           H        ALA  12   6.677  -1.114   1.856
   99    HA   ALA  12           HA       ALA  12   9.548  -1.239   1.804
  100    HB1  ALA  12           HB1      ALA  12   9.022  -0.479  -0.231
  101    HB2  ALA  12           HB2      ALA  12   7.446   0.110   0.297
  102    HB3  ALA  12           HB3      ALA  12   8.883   1.102   0.539
  103    H    LEU  13           H        LEU  13  10.298  -0.749   3.854
  104    HA   LEU  13           HA       LEU  13   9.469   1.691   5.171
  105    HB2  LEU  13           HB2      LEU  13  11.293  -0.578   5.842
  106    HB3  LEU  13           HB3      LEU  13  11.417   0.935   6.741
  107    HG   LEU  13           HG       LEU  13   8.864   0.601   7.131
  108   HD11  LEU  13          HD11      LEU  13   8.516  -1.964   7.387
  109   HD12  LEU  13          HD12      LEU  13   8.261  -1.195   5.821
  110   HD13  LEU  13          HD13      LEU  13   9.759  -2.069   6.140
  111   HD21  LEU  13          HD21      LEU  13  11.134  -0.821   8.470
  112   HD22  LEU  13          HD22      LEU  13  10.223   0.590   9.011
  113   HD23  LEU  13          HD23      LEU  13   9.481  -1.009   9.057
  114    HN1  NH2  14           HN1      NH2  14  10.148   3.275   3.680
  115    HN2  NH2  14           HN2      NH2  14  11.778   3.740   3.478
  Start of MODEL    9
    1    H1   ILE   1           H        ILE   1  -6.084  -0.831  -6.672
    2    HA   ILE   1           HA       ILE   1  -7.903   0.261  -4.841
    3    HB   ILE   1           HB       ILE   1  -6.137  -2.154  -4.422
    4   HG12  ILE   1          HG12      ILE   1  -7.379  -2.342  -6.515
    5   HG13  ILE   1          HG13      ILE   1  -8.046  -3.443  -5.314
    6   HG21  ILE   1          HG21      ILE   1  -8.609  -1.138  -3.067
    7   HG22  ILE   1          HG22      ILE   1  -8.191  -2.851  -3.044
    8   HG23  ILE   1          HG23      ILE   1  -7.086  -1.664  -2.350
    9   HD11  ILE   1          HD11      ILE   1  -9.864  -1.877  -4.888
   10   HD12  ILE   1          HD12      ILE   1  -9.194  -0.771  -6.088
   11   HD13  ILE   1          HD13      ILE   1  -9.800  -2.351  -6.585
   12    H    PHE   2           H        PHE   2  -7.695   1.229  -2.897
   13    HA   PHE   2           HA       PHE   2  -5.197   2.393  -2.198
   14    HB2  PHE   2           HB2      PHE   2  -7.922   2.348  -0.939
   15    HB3  PHE   2           HB3      PHE   2  -6.551   3.026  -0.065
   16    HD1  PHE   2           HD1      PHE   2  -9.126   3.670  -2.400
   17    HD2  PHE   2           HD2      PHE   2  -5.184   4.838  -1.299
   18    HE1  PHE   2           HE1      PHE   2  -9.430   5.802  -3.590
   19    HE2  PHE   2           HE2      PHE   2  -5.482   6.973  -2.485
   20    HZ   PHE   2           HZ       PHE   2  -7.607   7.458  -3.631
   21    H    TRP   3           H        TRP   3  -7.161  -0.198  -0.787
   22    HA   TRP   3           HA       TRP   3  -5.641  -0.706   1.485
   23    HB2  TRP   3           HB2      TRP   3  -7.226  -2.626  -0.234
   24    HB3  TRP   3           HB3      TRP   3  -6.589  -3.017   1.361
   25    HD1  TRP   3           HD1      TRP   3  -7.380  -0.442   2.966
   26    HE1  TRP   3           HE1      TRP   3  -9.853   0.082   3.449
   27    HE3  TRP   3           HE3      TRP   3  -9.537  -3.220  -0.744
   28    HZ2  TRP   3           HZ2      TRP   3 -12.383  -0.593   2.396
   29    HZ3  TRP   3           HZ3      TRP   3 -11.990  -3.227  -0.937
   30    HH2  TRP   3           HH2      TRP   3 -13.382  -1.940   0.603
   31    H    LEU   4           H        LEU   4  -5.187  -1.787  -1.836
   32    HA   LEU   4           HA       LEU   4  -2.963  -3.496  -1.144
   33    HB2  LEU   4           HB2      LEU   4  -4.312  -2.706  -3.695
   34    HB3  LEU   4           HB3      LEU   4  -2.748  -3.517  -3.729
   35    HG   LEU   4           HG       LEU   4  -5.098  -4.706  -2.287
   36   HD11  LEU   4          HD11      LEU   4  -5.825  -4.287  -4.571
   37   HD12  LEU   4          HD12      LEU   4  -4.373  -5.071  -5.191
   38   HD13  LEU   4          HD13      LEU   4  -5.571  -6.010  -4.300
   39   HD21  LEU   4          HD21      LEU   4  -3.666  -6.342  -1.843
   40   HD22  LEU   4          HD22      LEU   4  -3.324  -6.547  -3.561
   41   HD23  LEU   4          HD23      LEU   4  -2.383  -5.402  -2.604
   42    H    PHE   5           H        PHE   5  -3.457  -0.340  -2.650
   43    HA   PHE   5           HA       PHE   5  -0.825   0.154  -3.451
   44    HB2  PHE   5           HB2      PHE   5  -2.705   1.543  -4.175
   45    HB3  PHE   5           HB3      PHE   5  -2.929   2.122  -2.527
   46    HD1  PHE   5           HD1      PHE   5  -0.080   1.805  -4.924
   47    HD2  PHE   5           HD2      PHE   5  -2.206   4.259  -2.172
   48    HE1  PHE   5           HE1      PHE   5   1.485   3.650  -5.366
   49    HE2  PHE   5           HE2      PHE   5  -0.644   6.109  -2.611
   50    HZ   PHE   5           HZ       PHE   5   1.206   5.806  -4.208
   51    H    ARG   6           H        ARG   6  -2.476   1.145  -0.451
   52    HA   ARG   6           HA       ARG   6  -0.297   2.367   0.779
   53    HB2  ARG   6           HB2      ARG   6  -2.794   2.274   1.480
   54    HB3  ARG   6           HB3      ARG   6  -2.336   0.814   2.345
   55    HG2  ARG   6           HG2      ARG   6  -0.759   2.038   3.684
   56    HG3  ARG   6           HG3      ARG   6  -1.046   3.504   2.744
   57    HD2  ARG   6           HD2      ARG   6  -2.252   3.581   4.855
   58    HD3  ARG   6           HD3      ARG   6  -3.373   3.529   3.495
   59    HE   ARG   6           HE       ARG   6  -2.981   0.912   4.316
   60   HH11  ARG   6          HH11      ARG   6  -4.267   3.866   5.634
   61   HH12  ARG   6          HH12      ARG   6  -5.390   3.063   6.681
   62   HH21  ARG   6          HH21      ARG   6  -4.457  -0.156   5.689
   63   HH22  ARG   6          HH22      ARG   6  -5.497   0.775   6.711
   64    H    GLY   7           H        GLY   7  -1.469  -0.981   1.177
   65    HA2  GLY   7           HA2      GLY   7   0.485  -1.881   2.932
   66    HA3  GLY   7           HA3      GLY   7  -0.362  -2.899   1.777
   67    H    LYS   8           H        LYS   8   0.634  -1.513  -0.561
   68    HA   LYS   8           HA       LYS   8   2.997  -2.992  -0.989
   69    HB2  LYS   8           HB2      LYS   8   1.244  -2.001  -2.673
   70    HB3  LYS   8           HB3      LYS   8   2.309  -0.602  -2.660
   71    HG2  LYS   8           HG2      LYS   8   4.188  -2.217  -3.224
   72    HG3  LYS   8           HG3      LYS   8   2.921  -3.400  -3.557
   73    HD2  LYS   8           HD2      LYS   8   1.936  -1.475  -5.037
   74    HD3  LYS   8           HD3      LYS   8   3.597  -0.878  -5.005
   75    HE2  LYS   8           HE2      LYS   8   3.682  -2.204  -6.866
   76    HE3  LYS   8           HE3      LYS   8   4.152  -3.373  -5.631
   77    HZ1  LYS   8           HZ1      LYS   8   1.648  -3.872  -5.535
   78    HZ2  LYS   8           HZ2      LYS   8   1.578  -3.110  -7.044
   79    HZ3  LYS   8           HZ3      LYS   8   2.541  -4.485  -6.833
   80    H    ALA   9           H        ALA   9   2.416   0.378  -0.136
   81    HA   ALA   9           HA       ALA   9   5.202   1.095  -0.338
   82    HB1  ALA   9           HB1      ALA   9   2.716   2.527   0.507
   83    HB2  ALA   9           HB2      ALA   9   4.304   3.217   0.845
   84    HB3  ALA   9           HB3      ALA   9   3.821   2.890  -0.818
   85    H    ASP  10           H        ASP  10   2.923   0.270   2.216
   86    HA   ASP  10           HA       ASP  10   4.451   0.993   4.436
   87    HB2  ASP  10           HB2      ASP  10   2.346  -1.114   4.008
   88    HB3  ASP  10           HB3      ASP  10   3.138  -0.920   5.569
   89    H    VAL  11           H        VAL  11   4.201  -2.207   2.880
   90    HA   VAL  11           HA       VAL  11   6.062  -3.556   4.422
   91    HB   VAL  11           HB       VAL  11   4.637  -4.704   2.812
   92   HG11  VAL  11          HG11      VAL  11   4.729  -3.005   1.034
   93   HG12  VAL  11          HG12      VAL  11   6.389  -3.486   0.681
   94   HG13  VAL  11          HG13      VAL  11   5.067  -4.626   0.428
   95   HG21  VAL  11          HG21      VAL  11   7.572  -5.093   2.231
   96   HG22  VAL  11          HG22      VAL  11   6.670  -5.822   3.561
   97   HG23  VAL  11          HG23      VAL  11   6.292  -6.259   1.895
   98    H    ALA  12           H        ALA  12   6.563  -1.411   1.683
   99    HA   ALA  12           HA       ALA  12   9.323  -1.045   2.425
  100    HB1  ALA  12           HB1      ALA  12   9.134  -3.134   0.888
  101    HB2  ALA  12           HB2      ALA  12   8.925  -1.944  -0.398
  102    HB3  ALA  12           HB3      ALA  12  10.392  -1.937   0.582
  103    H    LEU  13           H        LEU  13   9.796   1.031   2.139
  104    HA   LEU  13           HA       LEU  13   8.002   2.726   0.641
  105    HB2  LEU  13           HB2      LEU  13  10.533   3.417   2.129
  106    HB3  LEU  13           HB3      LEU  13   9.346   4.564   1.511
  107    HG   LEU  13           HG       LEU  13   7.737   3.167   3.103
  108   HD11  LEU  13          HD11      LEU  13   9.196   1.557   3.955
  109   HD12  LEU  13          HD12      LEU  13  10.502   2.720   4.176
  110   HD13  LEU  13          HD13      LEU  13   9.093   2.765   5.234
  111   HD21  LEU  13          HD21      LEU  13   9.179   4.941   4.816
  112   HD22  LEU  13          HD22      LEU  13   9.088   5.640   3.200
  113   HD23  LEU  13          HD23      LEU  13   7.611   5.172   4.043
  114    HN1  NH2  14           HN1      NH2  14  11.564   2.476   0.653
  115    HN2  NH2  14           HN2      NH2  14  11.812   2.729  -1.017
  Start of MODEL   10
    1    H1   ILE   1           H        ILE   1  -8.661  -0.734  -3.340
    2    HA   ILE   1           HA       ILE   1  -6.406  -1.079  -5.196
    3    HB   ILE   1           HB       ILE   1  -8.077   1.424  -4.966
    4   HG12  ILE   1          HG12      ILE   1  -7.829  -0.498  -7.288
    5   HG13  ILE   1          HG13      ILE   1  -9.189  -0.461  -6.171
    6   HG21  ILE   1          HG21      ILE   1  -6.705   2.182  -6.891
    7   HG22  ILE   1          HG22      ILE   1  -5.779   1.964  -5.406
    8   HG23  ILE   1          HG23      ILE   1  -5.695   0.751  -6.683
    9   HD11  ILE   1          HD11      ILE   1  -8.412   1.505  -8.270
   10   HD12  ILE   1          HD12      ILE   1  -9.978   0.761  -7.949
   11   HD13  ILE   1          HD13      ILE   1  -9.367   2.025  -6.881
   12    H    PHE   2           H        PHE   2  -7.685   1.316  -2.878
   13    HA   PHE   2           HA       PHE   2  -5.246   2.380  -2.095
   14    HB2  PHE   2           HB2      PHE   2  -6.410   3.189  -0.094
   15    HB3  PHE   2           HB3      PHE   2  -7.408   3.399  -1.529
   16    HD1  PHE   2           HD1      PHE   2  -7.031   1.662   1.647
   17    HD2  PHE   2           HD2      PHE   2  -9.389   2.025  -1.877
   18    HE1  PHE   2           HE1      PHE   2  -8.858   0.436   2.747
   19    HE2  PHE   2           HE2      PHE   2 -11.221   0.802  -0.783
   20    HZ   PHE   2           HZ       PHE   2 -10.958   0.006   1.533
   21    H    TRP   3           H        TRP   3  -6.954  -0.458  -0.902
   22    HA   TRP   3           HA       TRP   3  -5.406  -0.971   1.368
   23    HB2  TRP   3           HB2      TRP   3  -7.559  -2.106   0.765
   24    HB3  TRP   3           HB3      TRP   3  -6.674  -3.043  -0.434
   25    HD1  TRP   3           HD1      TRP   3  -4.800  -4.790   0.548
   26    HE1  TRP   3           HE1      TRP   3  -4.753  -6.077   2.778
   27    HE3  TRP   3           HE3      TRP   3  -8.194  -2.003   3.166
   28    HZ2  TRP   3           HZ2      TRP   3  -5.991  -5.929   5.309
   29    HZ3  TRP   3           HZ3      TRP   3  -8.707  -2.642   5.486
   30    HH2  TRP   3           HH2      TRP   3  -7.628  -4.565   6.534
   31    H    LEU   4           H        LEU   4  -4.888  -1.787  -2.017
   32    HA   LEU   4           HA       LEU   4  -2.561  -3.395  -1.471
   33    HB2  LEU   4           HB2      LEU   4  -3.573  -2.264  -4.076
   34    HB3  LEU   4           HB3      LEU   4  -2.318  -3.487  -3.898
   35    HG   LEU   4           HG       LEU   4  -5.224  -3.828  -3.154
   36   HD11  LEU   4          HD11      LEU   4  -5.298  -5.353  -5.066
   37   HD12  LEU   4          HD12      LEU   4  -4.907  -3.706  -5.562
   38   HD13  LEU   4          HD13      LEU   4  -3.636  -4.925  -5.471
   39   HD21  LEU   4          HD21      LEU   4  -2.886  -5.730  -3.086
   40   HD22  LEU   4          HD22      LEU   4  -3.847  -5.168  -1.718
   41   HD23  LEU   4          HD23      LEU   4  -4.574  -6.220  -2.934
   42    H    PHE   5           H        PHE   5  -3.183  -0.171  -2.822
   43    HA   PHE   5           HA       PHE   5  -0.557   0.541  -3.411
   44    HB2  PHE   5           HB2      PHE   5  -2.718   1.792  -3.972
   45    HB3  PHE   5           HB3      PHE   5  -2.606   2.485  -2.358
   46    HD1  PHE   5           HD1      PHE   5  -1.143   2.398  -5.705
   47    HD2  PHE   5           HD2      PHE   5  -0.894   4.096  -1.810
   48    HE1  PHE   5           HE1      PHE   5   0.366   4.140  -6.565
   49    HE2  PHE   5           HE2      PHE   5   0.615   5.842  -2.664
   50    HZ   PHE   5           HZ       PHE   5   1.246   5.867  -5.044
   51    H    ARG   6           H        ARG   6  -2.414   1.323  -0.466
   52    HA   ARG   6           HA       ARG   6  -0.225   2.436   0.923
   53    HB2  ARG   6           HB2      ARG   6  -2.553   2.901   1.536
   54    HB3  ARG   6           HB3      ARG   6  -2.772   1.221   2.006
   55    HG2  ARG   6           HG2      ARG   6  -0.875   1.628   3.670
   56    HG3  ARG   6           HG3      ARG   6  -1.138   3.343   3.348
   57    HD2  ARG   6           HD2      ARG   6  -3.646   2.027   3.824
   58    HD3  ARG   6           HD3      ARG   6  -2.529   1.695   5.147
   59    HE   ARG   6           HE       ARG   6  -2.647   3.904   5.768
   60   HH11  ARG   6          HH11      ARG   6  -4.066   3.499   2.615
   61   HH12  ARG   6          HH12      ARG   6  -4.723   5.102   2.561
   62   HH21  ARG   6          HH21      ARG   6  -3.507   6.016   5.709
   63   HH22  ARG   6          HH22      ARG   6  -4.405   6.532   4.322
   64    H    GLY   7           H        GLY   7  -1.773  -0.766   1.190
   65    HA2  GLY   7           HA2      GLY   7  -0.165  -1.870   3.148
   66    HA3  GLY   7           HA3      GLY   7  -0.919  -2.792   1.855
   67    H    LYS   8           H        LYS   8   0.385  -1.939  -0.368
   68    HA   LYS   8           HA       LYS   8   2.801  -3.382  -0.253
   69    HB2  LYS   8           HB2      LYS   8   1.296  -2.914  -2.280
   70    HB3  LYS   8           HB3      LYS   8   2.130  -1.371  -2.391
   71    HG2  LYS   8           HG2      LYS   8   3.274  -2.743  -3.878
   72    HG3  LYS   8           HG3      LYS   8   4.285  -2.751  -2.430
   73    HD2  LYS   8           HD2      LYS   8   3.167  -4.881  -1.757
   74    HD3  LYS   8           HD3      LYS   8   2.351  -4.887  -3.322
   75    HE2  LYS   8           HE2      LYS   8   5.324  -4.629  -3.211
   76    HE3  LYS   8           HE3      LYS   8   4.583  -6.212  -2.978
   77    HZ1  LYS   8           HZ1      LYS   8   5.043  -6.014  -5.264
   78    HZ2  LYS   8           HZ2      LYS   8   3.373  -5.784  -5.119
   79    HZ3  LYS   8           HZ3      LYS   8   4.393  -4.455  -5.355
   80    H    ALA   9           H        ALA   9   2.156   0.107  -0.429
   81    HA   ALA   9           HA       ALA   9   4.772   1.024  -0.576
   82    HB1  ALA   9           HB1      ALA   9   2.660   2.443   1.016
   83    HB2  ALA   9           HB2      ALA   9   3.957   3.132   0.041
   84    HB3  ALA   9           HB3      ALA   9   2.589   2.342  -0.743
   85    H    ASP  10           H        ASP  10   2.825   0.281   2.298
   86    HA   ASP  10           HA       ASP  10   4.588   1.106   4.266
   87    HB2  ASP  10           HB2      ASP  10   2.223   0.253   4.571
   88    HB3  ASP  10           HB3      ASP  10   2.880  -1.376   4.458
   89    H    VAL  11           H        VAL  11   4.302  -2.166   2.875
   90    HA   VAL  11           HA       VAL  11   6.514  -3.251   4.234
   91    HB   VAL  11           HB       VAL  11   5.391  -4.123   1.569
   92   HG11  VAL  11          HG11      VAL  11   6.261  -6.365   2.365
   93   HG12  VAL  11          HG12      VAL  11   7.476  -5.186   1.877
   94   HG13  VAL  11          HG13      VAL  11   7.164  -5.473   3.588
   95   HG21  VAL  11          HG21      VAL  11   4.522  -5.811   3.644
   96   HG22  VAL  11          HG22      VAL  11   4.239  -4.159   4.192
   97   HG23  VAL  11          HG23      VAL  11   3.550  -4.711   2.666
   98    H    ALA  12           H        ALA  12   6.228  -1.997   0.914
   99    HA   ALA  12           HA       ALA  12   7.783  -1.275  -0.585
  100    HB1  ALA  12           HB1      ALA  12   9.697  -0.014   0.342
  101    HB2  ALA  12           HB2      ALA  12   8.153   0.458   1.051
  102    HB3  ALA  12           HB3      ALA  12   9.258  -0.581   1.953
  103    H    LEU  13           H        LEU  13   7.823  -4.023  -0.101
  104    HA   LEU  13           HA       LEU  13  10.469  -4.978   0.370
  105    HB2  LEU  13           HB2      LEU  13   8.642  -6.440   0.800
  106    HB3  LEU  13           HB3      LEU  13   8.020  -6.244  -0.837
  107    HG   LEU  13           HG       LEU  13  10.108  -7.410  -1.643
  108   HD11  LEU  13          HD11      LEU  13  11.083  -8.928   0.195
  109   HD12  LEU  13          HD12      LEU  13  11.636  -7.256   0.098
  110   HD13  LEU  13          HD13      LEU  13  10.448  -7.723   1.315
  111   HD21  LEU  13          HD21      LEU  13   8.020  -8.743   0.046
  112   HD22  LEU  13          HD22      LEU  13   8.161  -8.687  -1.711
  113   HD23  LEU  13          HD23      LEU  13   9.273  -9.681  -0.770
  114    HN1  NH2  14           HN1      NH2  14   8.601  -4.164  -2.502
  115    HN2  NH2  14           HN2      NH2  14   9.850  -4.319  -3.657
  Start of MODEL   11
    1    H1   ILE   1           H        ILE   1  -8.773  -1.474  -4.254
    2    HA   ILE   1           HA       ILE   1  -6.157  -1.169  -5.263
    3    HB   ILE   1           HB       ILE   1  -8.352   0.905  -5.164
    4   HG12  ILE   1          HG12      ILE   1  -7.674  -1.054  -7.368
    5   HG13  ILE   1          HG13      ILE   1  -9.010  -1.254  -6.238
    6   HG21  ILE   1          HG21      ILE   1  -6.763   2.241  -5.980
    7   HG22  ILE   1          HG22      ILE   1  -5.652   0.896  -6.244
    8   HG23  ILE   1          HG23      ILE   1  -6.873   1.284  -7.458
    9   HD11  ILE   1          HD11      ILE   1 -10.297  -0.074  -7.586
   10   HD12  ILE   1          HD12      ILE   1  -9.240   1.321  -7.369
   11   HD13  ILE   1          HD13      ILE   1  -8.940   0.183  -8.682
   12    H    PHE   2           H        PHE   2  -7.957   0.789  -2.889
   13    HA   PHE   2           HA       PHE   2  -5.789   2.479  -2.245
   14    HB2  PHE   2           HB2      PHE   2  -8.323   1.790  -0.755
   15    HB3  PHE   2           HB3      PHE   2  -7.166   2.984  -0.176
   16    HD1  PHE   2           HD1      PHE   2  -9.829   2.278  -2.519
   17    HD2  PHE   2           HD2      PHE   2  -6.778   5.054  -1.467
   18    HE1  PHE   2           HE1      PHE   2 -10.917   3.995  -3.905
   19    HE2  PHE   2           HE2      PHE   2  -7.862   6.775  -2.850
   20    HZ   PHE   2           HZ       PHE   2  -9.934   6.247  -4.071
   21    H    TRP   3           H        TRP   3  -7.185  -0.265  -0.448
   22    HA   TRP   3           HA       TRP   3  -5.288  -0.316   1.604
   23    HB2  TRP   3           HB2      TRP   3  -7.357  -1.536   1.824
   24    HB3  TRP   3           HB3      TRP   3  -6.963  -2.542   0.433
   25    HD1  TRP   3           HD1      TRP   3  -4.582  -1.777   3.377
   26    HE1  TRP   3           HE1      TRP   3  -3.961  -4.006   4.503
   27    HE3  TRP   3           HE3      TRP   3  -7.616  -4.908   0.707
   28    HZ2  TRP   3           HZ2      TRP   3  -4.662  -6.731   4.288
   29    HZ3  TRP   3           HZ3      TRP   3  -7.581  -7.312   1.230
   30    HH2  TRP   3           HH2      TRP   3  -6.133  -8.204   2.983
   31    H    LEU   4           H        LEU   4  -5.328  -1.944  -1.537
   32    HA   LEU   4           HA       LEU   4  -3.007  -3.496  -1.136
   33    HB2  LEU   4           HB2      LEU   4  -4.617  -2.628  -3.474
   34    HB3  LEU   4           HB3      LEU   4  -2.991  -3.238  -3.781
   35    HG   LEU   4           HG       LEU   4  -4.773  -4.945  -4.032
   36   HD11  LEU   4          HD11      LEU   4  -3.636  -6.679  -2.716
   37   HD12  LEU   4          HD12      LEU   4  -2.497  -5.625  -3.553
   38   HD13  LEU   4          HD13      LEU   4  -2.778  -5.423  -1.823
   39   HD21  LEU   4          HD21      LEU   4  -5.041  -5.034  -1.063
   40   HD22  LEU   4          HD22      LEU   4  -6.034  -3.909  -1.988
   41   HD23  LEU   4          HD23      LEU   4  -6.129  -5.640  -2.311
   42    H    PHE   5           H        PHE   5  -3.462  -0.419  -2.878
   43    HA   PHE   5           HA       PHE   5  -0.833   0.046  -3.597
   44    HB2  PHE   5           HB2      PHE   5  -3.198   1.778  -3.096
   45    HB3  PHE   5           HB3      PHE   5  -1.628   2.567  -3.199
   46    HD1  PHE   5           HD1      PHE   5  -3.231  -0.247  -5.055
   47    HD2  PHE   5           HD2      PHE   5  -1.342   3.563  -5.238
   48    HE1  PHE   5           HE1      PHE   5  -3.368  -0.300  -7.511
   49    HE2  PHE   5           HE2      PHE   5  -1.477   3.516  -7.696
   50    HZ   PHE   5           HZ       PHE   5  -2.492   1.582  -8.834
   51    H    ARG   6           H        ARG   6  -2.493   1.049  -0.617
   52    HA   ARG   6           HA       ARG   6  -0.310   2.356   0.564
   53    HB2  ARG   6           HB2      ARG   6  -2.767   1.044   1.708
   54    HB3  ARG   6           HB3      ARG   6  -1.565   1.809   2.739
   55    HG2  ARG   6           HG2      ARG   6  -1.914   3.929   1.574
   56    HG3  ARG   6           HG3      ARG   6  -3.125   3.159   0.545
   57    HD2  ARG   6           HD2      ARG   6  -3.277   3.398   3.549
   58    HD3  ARG   6           HD3      ARG   6  -4.132   4.426   2.401
   59    HE   ARG   6           HE       ARG   6  -4.703   1.680   1.947
   60   HH11  ARG   6          HH11      ARG   6  -5.440   4.356   4.049
   61   HH12  ARG   6          HH12      ARG   6  -7.008   3.755   4.479
   62   HH21  ARG   6          HH21      ARG   6  -6.764   0.879   2.505
   63   HH22  ARG   6          HH22      ARG   6  -7.759   1.777   3.601
   64    H    GLY   7           H        GLY   7  -1.400  -1.014   0.771
   65    HA2  GLY   7           HA2      GLY   7   0.410  -1.908   2.706
   66    HA3  GLY   7           HA3      GLY   7  -0.315  -2.914   1.462
   67    H    LYS   8           H        LYS   8   0.792  -1.601  -0.794
   68    HA   LYS   8           HA       LYS   8   3.222  -2.958  -1.053
   69    HB2  LYS   8           HB2      LYS   8   1.943  -0.739  -2.631
   70    HB3  LYS   8           HB3      LYS   8   3.521  -1.380  -3.071
   71    HG2  LYS   8           HG2      LYS   8   2.650  -3.483  -3.595
   72    HG3  LYS   8           HG3      LYS   8   1.140  -3.169  -2.736
   73    HD2  LYS   8           HD2      LYS   8   0.591  -2.975  -5.011
   74    HD3  LYS   8           HD3      LYS   8   0.751  -1.312  -4.441
   75    HE2  LYS   8           HE2      LYS   8   2.813  -1.024  -5.501
   76    HE3  LYS   8           HE3      LYS   8   3.069  -2.760  -5.675
   77    HZ1  LYS   8           HZ1      LYS   8   2.247  -1.226  -7.661
   78    HZ2  LYS   8           HZ2      LYS   8   1.809  -2.853  -7.529
   79    HZ3  LYS   8           HZ3      LYS   8   0.738  -1.646  -7.019
   80    H    ALA   9           H        ALA   9   2.520   0.370  -0.149
   81    HA   ALA   9           HA       ALA   9   5.289   1.160  -0.136
   82    HB1  ALA   9           HB1      ALA   9   4.375   3.178  -0.246
   83    HB2  ALA   9           HB2      ALA   9   2.774   2.475  -0.023
   84    HB3  ALA   9           HB3      ALA   9   3.721   2.969   1.380
   85    H    ASP  10           H        ASP  10   2.887   0.170   2.246
   86    HA   ASP  10           HA       ASP  10   4.223   0.826   4.589
   87    HB2  ASP  10           HB2      ASP  10   1.995   0.079   4.801
   88    HB3  ASP  10           HB3      ASP  10   2.319  -1.407   3.914
   89    H    VAL  11           H        VAL  11   4.246  -2.347   2.952
   90    HA   VAL  11           HA       VAL  11   6.167  -3.570   4.538
   91    HB   VAL  11           HB       VAL  11   4.857  -4.846   2.950
   92   HG11  VAL  11          HG11      VAL  11   5.139  -4.707   0.579
   93   HG12  VAL  11          HG12      VAL  11   4.824  -3.080   1.186
   94   HG13  VAL  11          HG13      VAL  11   6.466  -3.558   0.753
   95   HG21  VAL  11          HG21      VAL  11   6.615  -6.255   2.008
   96   HG22  VAL  11          HG22      VAL  11   7.798  -4.976   2.288
   97   HG23  VAL  11          HG23      VAL  11   7.010  -5.764   3.655
   98    H    ALA  12           H        ALA  12   6.558  -1.430   1.774
   99    HA   ALA  12           HA       ALA  12   9.379  -1.816   1.530
  100    HB1  ALA  12           HB1      ALA  12   7.349  -0.476   0.082
  101    HB2  ALA  12           HB2      ALA  12   8.604   0.705   0.461
  102    HB3  ALA  12           HB3      ALA  12   9.019  -0.780  -0.397
  103    H    LEU  13           H        LEU  13  10.679   0.442   1.501
  104    HA   LEU  13           HA       LEU  13  11.805   1.921   2.813
  105    HB2  LEU  13           HB2      LEU  13   9.178   2.506   4.142
  106    HB3  LEU  13           HB3      LEU  13  10.540   3.594   3.881
  107    HG   LEU  13           HG       LEU  13   8.727   2.526   1.718
  108   HD11  LEU  13          HD11      LEU  13   8.846   5.241   3.025
  109   HD12  LEU  13          HD12      LEU  13   7.872   4.823   1.614
  110   HD13  LEU  13          HD13      LEU  13   7.542   4.064   3.172
  111   HD21  LEU  13          HD21      LEU  13  10.883   4.633   1.619
  112   HD22  LEU  13          HD22      LEU  13  11.018   3.000   0.967
  113   HD23  LEU  13          HD23      LEU  13   9.848   4.128   0.281
  114    HN1  NH2  14           HN1      NH2  14  12.997   0.379   3.968
  115    HN2  NH2  14           HN2      NH2  14  12.682  -0.049   5.591
  Start of MODEL   12
    1    H1   ILE   1           H        ILE   1  -8.733  -0.080  -4.200
    2    HA   ILE   1           HA       ILE   1  -6.172  -1.045  -5.297
    3    HB   ILE   1           HB       ILE   1  -6.000   1.246  -6.364
    4   HG12  ILE   1          HG12      ILE   1  -8.963   1.277  -5.751
    5   HG13  ILE   1          HG13      ILE   1  -7.757   2.340  -5.033
    6   HG21  ILE   1          HG21      ILE   1  -6.541  -0.841  -7.586
    7   HG22  ILE   1          HG22      ILE   1  -8.254  -0.496  -7.347
    8   HG23  ILE   1          HG23      ILE   1  -7.261   0.598  -8.310
    9   HD11  ILE   1          HD11      ILE   1  -7.451   2.625  -7.791
   10   HD12  ILE   1          HD12      ILE   1  -9.191   2.607  -7.501
   11   HD13  ILE   1          HD13      ILE   1  -8.168   3.774  -6.662
   12    H    PHE   2           H        PHE   2  -7.785   1.255  -3.184
   13    HA   PHE   2           HA       PHE   2  -5.529   2.699  -2.345
   14    HB2  PHE   2           HB2      PHE   2  -8.245   2.193  -1.194
   15    HB3  PHE   2           HB3      PHE   2  -7.025   2.976  -0.195
   16    HD1  PHE   2           HD1      PHE   2  -9.094   3.281  -3.208
   17    HD2  PHE   2           HD2      PHE   2  -6.308   5.216  -0.639
   18    HE1  PHE   2           HE1      PHE   2  -9.626   5.438  -4.264
   19    HE2  PHE   2           HE2      PHE   2  -6.835   7.376  -1.689
   20    HZ   PHE   2           HZ       PHE   2  -8.497   7.491  -3.503
   21    H    TRP   3           H        TRP   3  -7.182  -0.031  -0.756
   22    HA   TRP   3           HA       TRP   3  -5.406  -0.344   1.366
   23    HB2  TRP   3           HB2      TRP   3  -6.277  -2.657   1.520
   24    HB3  TRP   3           HB3      TRP   3  -7.561  -1.469   1.321
   25    HD1  TRP   3           HD1      TRP   3  -8.780  -1.393  -1.113
   26    HE1  TRP   3           HE1      TRP   3  -9.083  -3.231  -2.889
   27    HE3  TRP   3           HE3      TRP   3  -5.196  -4.670   0.491
   28    HZ2  TRP   3           HZ2      TRP   3  -7.952  -5.739  -3.525
   29    HZ3  TRP   3           HZ3      TRP   3  -4.872  -6.766  -0.758
   30    HH2  TRP   3           HH2      TRP   3  -6.222  -7.287  -2.723
   31    H    LEU   4           H        LEU   4  -5.281  -1.630  -1.914
   32    HA   LEU   4           HA       LEU   4  -3.097  -3.376  -1.519
   33    HB2  LEU   4           HB2      LEU   4  -4.390  -3.731  -3.441
   34    HB3  LEU   4           HB3      LEU   4  -4.277  -2.042  -3.932
   35    HG   LEU   4           HG       LEU   4  -1.895  -2.389  -4.477
   36   HD11  LEU   4          HD11      LEU   4  -1.107  -4.755  -4.660
   37   HD12  LEU   4          HD12      LEU   4  -1.302  -4.169  -3.008
   38   HD13  LEU   4          HD13      LEU   4  -2.516  -5.235  -3.714
   39   HD21  LEU   4          HD21      LEU   4  -2.263  -3.549  -6.527
   40   HD22  LEU   4          HD22      LEU   4  -3.654  -4.405  -5.862
   41   HD23  LEU   4          HD23      LEU   4  -3.741  -2.667  -6.146
   42    H    PHE   5           H        PHE   5  -3.263  -0.051  -2.773
   43    HA   PHE   5           HA       PHE   5  -0.540   0.299  -3.269
   44    HB2  PHE   5           HB2      PHE   5  -2.205   1.873  -4.088
   45    HB3  PHE   5           HB3      PHE   5  -2.612   2.340  -2.438
   46    HD1  PHE   5           HD1      PHE   5   0.499   2.026  -4.486
   47    HD2  PHE   5           HD2      PHE   5  -1.820   4.388  -1.810
   48    HE1  PHE   5           HE1      PHE   5   2.206   3.795  -4.573
   49    HE2  PHE   5           HE2      PHE   5  -0.117   6.163  -1.895
   50    HZ   PHE   5           HZ       PHE   5   1.899   5.868  -3.278
   51    H    ARG   6           H        ARG   6  -2.422   1.063  -0.351
   52    HA   ARG   6           HA       ARG   6  -0.272   2.078   1.153
   53    HB2  ARG   6           HB2      ARG   6  -2.691   2.388   1.692
   54    HB3  ARG   6           HB3      ARG   6  -2.750   0.706   2.203
   55    HG2  ARG   6           HG2      ARG   6  -2.526   2.002   4.161
   56    HG3  ARG   6           HG3      ARG   6  -0.952   1.261   3.870
   57    HD2  ARG   6           HD2      ARG   6  -0.784   3.635   4.521
   58    HD3  ARG   6           HD3      ARG   6  -0.113   3.316   2.921
   59    HE   ARG   6           HE       ARG   6  -1.676   4.727   2.046
   60   HH11  ARG   6          HH11      ARG   6  -2.749   3.691   5.192
   61   HH12  ARG   6          HH12      ARG   6  -4.129   4.740   5.210
   62   HH21  ARG   6          HH21      ARG   6  -3.488   6.113   2.060
   63   HH22  ARG   6          HH22      ARG   6  -4.548   6.117   3.429
   64    H    GLY   7           H        GLY   7  -1.618  -1.185   0.858
   65    HA2  GLY   7           HA2      GLY   7  -0.173  -2.455   2.869
   66    HA3  GLY   7           HA3      GLY   7  -0.738  -3.234   1.397
   67    H    LYS   8           H        LYS   8   0.677  -2.382  -0.598
   68    HA   LYS   8           HA       LYS   8   3.226  -3.527  -0.244
   69    HB2  LYS   8           HB2      LYS   8   3.669  -2.824  -2.534
   70    HB3  LYS   8           HB3      LYS   8   2.048  -3.492  -2.404
   71    HG2  LYS   8           HG2      LYS   8   1.232  -1.102  -2.187
   72    HG3  LYS   8           HG3      LYS   8   2.852  -0.615  -2.690
   73    HD2  LYS   8           HD2      LYS   8   1.341  -2.618  -4.313
   74    HD3  LYS   8           HD3      LYS   8   0.951  -0.902  -4.463
   75    HE2  LYS   8           HE2      LYS   8   3.540  -0.644  -4.727
   76    HE3  LYS   8           HE3      LYS   8   3.468  -2.349  -5.166
   77    HZ1  LYS   8           HZ1      LYS   8   2.958  -1.663  -7.199
   78    HZ2  LYS   8           HZ2      LYS   8   1.456  -1.164  -6.600
   79    HZ3  LYS   8           HZ3      LYS   8   2.737  -0.062  -6.698
   80    H    ALA   9           H        ALA   9   2.109  -0.190  -0.261
   81    HA   ALA   9           HA       ALA   9   4.590   1.099  -0.392
   82    HB1  ALA   9           HB1      ALA   9   2.604   2.371  -0.716
   83    HB2  ALA   9           HB2      ALA   9   1.996   1.942   0.883
   84    HB3  ALA   9           HB3      ALA   9   3.399   3.000   0.727
   85    H    ASP  10           H        ASP  10   2.747  -0.098   2.386
   86    HA   ASP  10           HA       ASP  10   4.286   0.930   4.448
   87    HB2  ASP  10           HB2      ASP  10   2.284  -0.126   5.077
   88    HB3  ASP  10           HB3      ASP  10   2.676  -1.597   4.190
   89    H    VAL  11           H        VAL  11   4.818  -1.941   2.472
   90    HA   VAL  11           HA       VAL  11   6.863  -3.161   3.879
   91    HB   VAL  11           HB       VAL  11   6.671  -2.946   0.871
   92   HG11  VAL  11          HG11      VAL  11   8.453  -4.266   0.784
   93   HG12  VAL  11          HG12      VAL  11   8.604  -4.154   2.538
   94   HG13  VAL  11          HG13      VAL  11   7.652  -5.450   1.816
   95   HG21  VAL  11          HG21      VAL  11   5.667  -5.389   1.533
   96   HG22  VAL  11          HG22      VAL  11   5.067  -4.387   2.856
   97   HG23  VAL  11          HG23      VAL  11   4.693  -3.959   1.187
   98    H    ALA  12           H        ALA  12   7.184  -0.723   1.296
   99    HA   ALA  12           HA       ALA  12   9.988  -0.475   1.507
  100    HB1  ALA  12           HB1      ALA  12   9.817   1.059  -0.152
  101    HB2  ALA  12           HB2      ALA  12   8.204   0.363  -0.300
  102    HB3  ALA  12           HB3      ALA  12   8.437   1.869   0.587
  103    H    LEU  13           H        LEU  13  11.220   0.552   2.942
  104    HA   LEU  13           HA       LEU  13   9.986   1.982   5.122
  105    HB2  LEU  13           HB2      LEU  13  12.895   1.457   4.532
  106    HB3  LEU  13           HB3      LEU  13  12.249   2.100   6.040
  107    HG   LEU  13           HG       LEU  13  11.583  -0.638   4.970
  108   HD11  LEU  13          HD11      LEU  13  14.064   0.095   5.783
  109   HD12  LEU  13          HD12      LEU  13  13.337  -0.413   7.307
  110   HD13  LEU  13          HD13      LEU  13  13.395  -1.528   5.942
  111   HD21  LEU  13          HD21      LEU  13  10.213   0.786   6.779
  112   HD22  LEU  13          HD22      LEU  13  10.378  -0.968   6.857
  113   HD23  LEU  13          HD23      LEU  13  11.423   0.060   7.836
  114    HN1  NH2  14           HN1      NH2  14   9.805   4.119   5.335
  115    HN2  NH2  14           HN2      NH2  14  10.545   5.328   4.382
  Start of MODEL   13
    1    H1   ILE   1           H        ILE   1  -8.748  -0.393  -3.824
    2    HA   ILE   1           HA       ILE   1  -6.248  -0.905  -5.296
    3    HB   ILE   1           HB       ILE   1  -7.793   1.686  -5.269
    4   HG12  ILE   1          HG12      ILE   1  -8.117   0.831  -7.780
    5   HG13  ILE   1          HG13      ILE   1  -8.020  -0.737  -6.985
    6   HG21  ILE   1          HG21      ILE   1  -6.174   2.557  -6.558
    7   HG22  ILE   1          HG22      ILE   1  -5.186   1.256  -5.895
    8   HG23  ILE   1          HG23      ILE   1  -5.957   1.062  -7.468
    9   HD11  ILE   1          HD11      ILE   1  -9.884   1.380  -5.994
   10   HD12  ILE   1          HD12      ILE   1 -10.324   0.323  -7.335
   11   HD13  ILE   1          HD13      ILE   1  -9.952  -0.366  -5.755
   12    H    PHE   2           H        PHE   2  -7.675   1.535  -3.115
   13    HA   PHE   2           HA       PHE   2  -5.335   2.693  -2.224
   14    HB2  PHE   2           HB2      PHE   2  -8.069   2.391  -1.085
   15    HB3  PHE   2           HB3      PHE   2  -6.795   2.948  -0.006
   16    HD1  PHE   2           HD1      PHE   2  -8.428   3.670  -3.260
   17    HD2  PHE   2           HD2      PHE   2  -6.138   5.179  -0.004
   18    HE1  PHE   2           HE1      PHE   2  -8.690   5.952  -4.138
   19    HE2  PHE   2           HE2      PHE   2  -6.397   7.465  -0.878
   20    HZ   PHE   2           HZ       PHE   2  -7.674   7.854  -2.947
   21    H    TRP   3           H        TRP   3  -7.124   0.046  -0.645
   22    HA   TRP   3           HA       TRP   3  -5.395  -0.441   1.451
   23    HB2  TRP   3           HB2      TRP   3  -7.678  -1.511   0.931
   24    HB3  TRP   3           HB3      TRP   3  -6.769  -2.675  -0.028
   25    HD1  TRP   3           HD1      TRP   3  -5.678  -1.303   3.413
   26    HE1  TRP   3           HE1      TRP   3  -5.495  -3.286   5.045
   27    HE3  TRP   3           HE3      TRP   3  -7.455  -5.016   0.382
   28    HZ2  TRP   3           HZ2      TRP   3  -6.031  -6.057   5.045
   29    HZ3  TRP   3           HZ3      TRP   3  -7.588  -7.304   1.273
   30    HH2  TRP   3           HH2      TRP   3  -6.890  -7.812   3.557
   31    H    LEU   4           H        LEU   4  -5.221  -1.610  -1.876
   32    HA   LEU   4           HA       LEU   4  -3.033  -3.364  -1.478
   33    HB2  LEU   4           HB2      LEU   4  -3.749  -1.958  -4.041
   34    HB3  LEU   4           HB3      LEU   4  -2.887  -3.483  -3.853
   35    HG   LEU   4           HG       LEU   4  -5.802  -3.018  -3.228
   36   HD11  LEU   4          HD11      LEU   4  -5.526  -2.980  -5.581
   37   HD12  LEU   4          HD12      LEU   4  -4.405  -4.340  -5.540
   38   HD13  LEU   4          HD13      LEU   4  -6.108  -4.591  -5.163
   39   HD21  LEU   4          HD21      LEU   4  -5.574  -5.662  -3.309
   40   HD22  LEU   4          HD22      LEU   4  -3.941  -5.282  -2.764
   41   HD23  LEU   4          HD23      LEU   4  -5.332  -4.745  -1.822
   42    H    PHE   5           H        PHE   5  -3.215  -0.059  -2.792
   43    HA   PHE   5           HA       PHE   5  -0.490   0.311  -3.246
   44    HB2  PHE   5           HB2      PHE   5  -2.582   1.804  -3.818
   45    HB3  PHE   5           HB3      PHE   5  -2.172   2.596  -2.300
   46    HD1  PHE   5           HD1      PHE   5  -1.385   2.248  -5.782
   47    HD2  PHE   5           HD2      PHE   5   0.114   3.598  -2.034
   48    HE1  PHE   5           HE1      PHE   5   0.310   3.595  -6.950
   49    HE2  PHE   5           HE2      PHE   5   1.812   4.949  -3.196
   50    HZ   PHE   5           HZ       PHE   5   1.912   4.947  -5.656
   51    H    ARG   6           H        ARG   6  -2.410   0.796  -0.328
   52    HA   ARG   6           HA       ARG   6  -0.296   1.965   1.187
   53    HB2  ARG   6           HB2      ARG   6  -2.681   2.307   1.728
   54    HB3  ARG   6           HB3      ARG   6  -2.820   0.604   2.145
   55    HG2  ARG   6           HG2      ARG   6  -1.126   0.956   3.923
   56    HG3  ARG   6           HG3      ARG   6  -1.157   2.680   3.551
   57    HD2  ARG   6           HD2      ARG   6  -3.617   2.644   4.003
   58    HD3  ARG   6           HD3      ARG   6  -3.429   0.984   4.567
   59    HE   ARG   6           HE       ARG   6  -2.766   3.367   5.992
   60   HH11  ARG   6          HH11      ARG   6  -1.900   0.022   5.551
   61   HH12  ARG   6          HH12      ARG   6  -1.213  -0.143   7.133
   62   HH21  ARG   6          HH21      ARG   6  -1.864   3.160   8.078
   63   HH22  ARG   6          HH22      ARG   6  -1.193   1.641   8.569
   64    H    GLY   7           H        GLY   7  -1.494  -1.309   0.714
   65    HA2  GLY   7           HA2      GLY   7  -0.044  -2.535   2.809
   66    HA3  GLY   7           HA3      GLY   7  -0.683  -3.348   1.389
   67    H    LYS   8           H        LYS   8   0.702  -2.163  -0.648
   68    HA   LYS   8           HA       LYS   8   3.231  -3.470  -0.440
   69    HB2  LYS   8           HB2      LYS   8   3.590  -2.698  -2.735
   70    HB3  LYS   8           HB3      LYS   8   1.992  -3.408  -2.550
   71    HG2  LYS   8           HG2      LYS   8   1.066  -1.110  -2.328
   72    HG3  LYS   8           HG3      LYS   8   2.672  -0.480  -2.697
   73    HD2  LYS   8           HD2      LYS   8   1.229  -2.397  -4.512
   74    HD3  LYS   8           HD3      LYS   8   1.041  -0.647  -4.638
   75    HE2  LYS   8           HE2      LYS   8   3.376  -0.367  -5.094
   76    HE3  LYS   8           HE3      LYS   8   3.698  -2.066  -4.750
   77    HZ1  LYS   8           HZ1      LYS   8   3.501  -1.321  -7.180
   78    HZ2  LYS   8           HZ2      LYS   8   2.702  -2.737  -6.712
   79    HZ3  LYS   8           HZ3      LYS   8   1.832  -1.299  -6.902
   80    H    ALA   9           H        ALA   9   2.147  -0.121  -0.371
   81    HA   ALA   9           HA       ALA   9   4.713   1.068  -0.498
   82    HB1  ALA   9           HB1      ALA   9   2.157   2.159   0.674
   83    HB2  ALA   9           HB2      ALA   9   3.598   3.098   0.288
   84    HB3  ALA   9           HB3      ALA   9   2.683   2.316  -1.002
   85    H    ASP  10           H        ASP  10   2.694  -0.043   2.168
   86    HA   ASP  10           HA       ASP  10   4.023   1.076   4.320
   87    HB2  ASP  10           HB2      ASP  10   1.905  -0.243   4.436
   88    HB3  ASP  10           HB3      ASP  10   2.856  -1.711   4.233
   89    H    VAL  11           H        VAL  11   4.605  -2.154   2.923
   90    HA   VAL  11           HA       VAL  11   6.915  -2.673   4.467
   91    HB   VAL  11           HB       VAL  11   6.223  -3.889   1.792
   92   HG11  VAL  11          HG11      VAL  11   8.530  -4.240   2.811
   93   HG12  VAL  11          HG12      VAL  11   7.710  -5.164   4.070
   94   HG13  VAL  11          HG13      VAL  11   7.615  -5.686   2.388
   95   HG21  VAL  11          HG21      VAL  11   5.182  -5.696   3.227
   96   HG22  VAL  11          HG22      VAL  11   5.258  -4.551   4.565
   97   HG23  VAL  11          HG23      VAL  11   4.296  -4.173   3.138
   98    H    ALA  12           H        ALA  12   6.446  -1.362   1.217
   99    HA   ALA  12           HA       ALA  12   7.868  -0.365  -0.259
  100    HB1  ALA  12           HB1      ALA  12   9.109   0.489   2.350
  101    HB2  ALA  12           HB2      ALA  12   9.580   1.139   0.778
  102    HB3  ALA  12           HB3      ALA  12   7.935   1.372   1.373
  103    H    LEU  13           H        LEU  13   8.389  -2.964  -0.253
  104    HA   LEU  13           HA       LEU  13  10.951  -3.805   0.502
  105    HB2  LEU  13           HB2      LEU  13   8.950  -5.185  -0.300
  106    HB3  LEU  13           HB3      LEU  13   9.509  -4.815  -1.930
  107    HG   LEU  13           HG       LEU  13  11.433  -6.042  -0.018
  108   HD11  LEU  13          HD11      LEU  13  10.654  -8.258  -0.469
  109   HD12  LEU  13          HD12      LEU  13   9.316  -7.330   0.208
  110   HD13  LEU  13          HD13      LEU  13   9.381  -7.649  -1.526
  111   HD21  LEU  13          HD21      LEU  13  10.940  -6.132  -2.986
  112   HD22  LEU  13          HD22      LEU  13  12.321  -5.446  -2.128
  113   HD23  LEU  13          HD23      LEU  13  12.089  -7.193  -2.169
  114    HN1  NH2  14           HN1      NH2  14   9.804  -2.745  -2.706
  115    HN2  NH2  14           HN2      NH2  14  11.314  -2.252  -3.332
  Start of MODEL   14
    1    H1   ILE   1           H        ILE   1  -8.694   0.865  -4.327
    2    HA   ILE   1           HA       ILE   1  -6.469  -0.760  -5.374
    3    HB   ILE   1           HB       ILE   1  -5.659   1.380  -6.457
    4   HG12  ILE   1          HG12      ILE   1  -8.519   2.218  -5.938
    5   HG13  ILE   1          HG13      ILE   1  -7.091   2.929  -5.193
    6   HG21  ILE   1          HG21      ILE   1  -8.256   0.223  -7.461
    7   HG22  ILE   1          HG22      ILE   1  -7.063   1.093  -8.426
    8   HG23  ILE   1          HG23      ILE   1  -6.652  -0.468  -7.717
    9   HD11  ILE   1          HD11      ILE   1  -8.045   3.137  -8.016
   10   HD12  ILE   1          HD12      ILE   1  -7.630   4.419  -6.878
   11   HD13  ILE   1          HD13      ILE   1  -6.357   3.438  -7.603
   12    H    PHE   2           H        PHE   2  -7.466   1.929  -3.339
   13    HA   PHE   2           HA       PHE   2  -4.899   2.671  -2.430
   14    HB2  PHE   2           HB2      PHE   2  -7.648   3.016  -1.234
   15    HB3  PHE   2           HB3      PHE   2  -6.195   3.673  -0.488
   16    HD1  PHE   2           HD1      PHE   2  -8.813   4.280  -2.770
   17    HD2  PHE   2           HD2      PHE   2  -4.727   5.191  -2.000
   18    HE1  PHE   2           HE1      PHE   2  -8.994   6.279  -4.192
   19    HE2  PHE   2           HE2      PHE   2  -4.902   7.193  -3.420
   20    HZ   PHE   2           HZ       PHE   2  -7.038   7.738  -4.519
   21    H    TRP   3           H        TRP   3  -7.228   0.282  -1.323
   22    HA   TRP   3           HA       TRP   3  -6.182  -0.345   1.161
   23    HB2  TRP   3           HB2      TRP   3  -8.298  -1.258   0.211
   24    HB3  TRP   3           HB3      TRP   3  -7.339  -2.310  -0.826
   25    HD1  TRP   3           HD1      TRP   3  -8.233  -1.787   2.880
   26    HE1  TRP   3           HE1      TRP   3  -7.798  -3.991   4.137
   27    HE3  TRP   3           HE3      TRP   3  -6.044  -4.455  -0.893
   28    HZ2  TRP   3           HZ2      TRP   3  -6.675  -6.524   3.600
   29    HZ3  TRP   3           HZ3      TRP   3  -5.318  -6.762  -0.438
   30    HH2  TRP   3           HH2      TRP   3  -5.628  -7.773   1.763
   31    H    LEU   4           H        LEU   4  -5.482  -2.080  -1.881
   32    HA   LEU   4           HA       LEU   4  -3.307  -3.528  -0.775
   33    HB2  LEU   4           HB2      LEU   4  -2.852  -4.221  -3.060
   34    HB3  LEU   4           HB3      LEU   4  -4.570  -4.349  -2.684
   35    HG   LEU   4           HG       LEU   4  -4.606  -1.952  -3.833
   36   HD11  LEU   4          HD11      LEU   4  -2.896  -1.428  -5.175
   37   HD12  LEU   4          HD12      LEU   4  -1.971  -2.558  -4.187
   38   HD13  LEU   4          HD13      LEU   4  -2.678  -3.096  -5.710
   39   HD21  LEU   4          HD21      LEU   4  -5.824  -4.058  -4.465
   40   HD22  LEU   4          HD22      LEU   4  -5.389  -3.007  -5.811
   41   HD23  LEU   4          HD23      LEU   4  -4.446  -4.461  -5.488
   42    H    PHE   5           H        PHE   5  -3.569  -0.530  -2.597
   43    HA   PHE   5           HA       PHE   5  -0.904  -0.129  -3.266
   44    HB2  PHE   5           HB2      PHE   5  -2.608   1.322  -4.150
   45    HB3  PHE   5           HB3      PHE   5  -3.046   1.873  -2.536
   46    HD1  PHE   5           HD1      PHE   5   0.295   1.484  -4.128
   47    HD2  PHE   5           HD2      PHE   5  -2.599   4.138  -2.486
   48    HE1  PHE   5           HE1      PHE   5   1.889   3.346  -4.337
   49    HE2  PHE   5           HE2      PHE   5  -1.010   6.005  -2.695
   50    HZ   PHE   5           HZ       PHE   5   1.238   5.610  -3.620
   51    H    ARG   6           H        ARG   6  -2.597   0.510  -0.243
   52    HA   ARG   6           HA       ARG   6  -0.506   1.922   1.032
   53    HB2  ARG   6           HB2      ARG   6  -2.880   1.914   1.783
   54    HB3  ARG   6           HB3      ARG   6  -2.671   0.252   2.318
   55    HG2  ARG   6           HG2      ARG   6  -0.963   0.975   3.908
   56    HG3  ARG   6           HG3      ARG   6  -1.174   2.644   3.371
   57    HD2  ARG   6           HD2      ARG   6  -3.338   0.928   4.585
   58    HD3  ARG   6           HD3      ARG   6  -2.390   2.127   5.464
   59    HE   ARG   6           HE       ARG   6  -3.560   3.367   3.242
   60   HH11  ARG   6          HH11      ARG   6  -4.475   1.928   6.278
   61   HH12  ARG   6          HH12      ARG   6  -5.887   2.917   6.470
   62   HH21  ARG   6          HH21      ARG   6  -5.414   4.674   3.483
   63   HH22  ARG   6          HH22      ARG   6  -6.419   4.478   4.880
   64    H    GLY   7           H        GLY   7  -1.384  -1.509   0.957
   65    HA2  GLY   7           HA2      GLY   7   0.453  -2.442   2.851
   66    HA3  GLY   7           HA3      GLY   7  -0.197  -3.390   1.522
   67    H    LYS   8           H        LYS   8   0.856  -1.813  -0.600
   68    HA   LYS   8           HA       LYS   8   3.430  -2.974  -0.823
   69    HB2  LYS   8           HB2      LYS   8   1.785  -2.340  -2.693
   70    HB3  LYS   8           HB3      LYS   8   2.421  -0.708  -2.532
   71    HG2  LYS   8           HG2      LYS   8   3.769  -1.470  -4.188
   72    HG3  LYS   8           HG3      LYS   8   4.730  -1.965  -2.792
   73    HD2  LYS   8           HD2      LYS   8   4.673  -3.852  -4.194
   74    HD3  LYS   8           HD3      LYS   8   3.485  -4.187  -2.931
   75    HE2  LYS   8           HE2      LYS   8   1.688  -3.840  -4.356
   76    HE3  LYS   8           HE3      LYS   8   2.642  -2.884  -5.489
   77    HZ1  LYS   8           HZ1      LYS   8   2.894  -5.813  -5.059
   78    HZ2  LYS   8           HZ2      LYS   8   2.140  -5.071  -6.381
   79    HZ3  LYS   8           HZ3      LYS   8   3.808  -4.894  -6.149
   80    H    ALA   9           H        ALA   9   2.317   0.317  -0.159
   81    HA   ALA   9           HA       ALA   9   4.878   1.523  -0.180
   82    HB1  ALA   9           HB1      ALA   9   3.005   2.943  -0.447
   83    HB2  ALA   9           HB2      ALA   9   2.257   2.357   1.040
   84    HB3  ALA   9           HB3      ALA   9   3.713   3.351   1.117
   85    H    ASP  10           H        ASP  10   2.892   0.124   2.391
   86    HA   ASP  10           HA       ASP  10   4.393   0.887   4.599
   87    HB2  ASP  10           HB2      ASP  10   2.217  -0.176   4.828
   88    HB3  ASP  10           HB3      ASP  10   2.848  -1.674   4.147
   89    H    VAL  11           H        VAL  11   4.597  -2.228   2.867
   90    HA   VAL  11           HA       VAL  11   6.861  -3.182   4.200
   91    HB   VAL  11           HB       VAL  11   5.982  -3.801   1.378
   92   HG11  VAL  11          HG11      VAL  11   8.279  -4.487   1.781
   93   HG12  VAL  11          HG12      VAL  11   7.787  -5.327   3.253
   94   HG13  VAL  11          HG13      VAL  11   7.224  -5.896   1.680
   95   HG21  VAL  11          HG21      VAL  11   4.219  -4.765   2.335
   96   HG22  VAL  11          HG22      VAL  11   5.331  -5.911   3.082
   97   HG23  VAL  11          HG23      VAL  11   4.853  -4.453   3.951
   98    H    ALA  12           H        ALA  12   6.558  -1.225   1.276
   99    HA   ALA  12           HA       ALA  12   9.440  -0.660   1.451
  100    HB1  ALA  12           HB1      ALA  12   8.698  -0.400  -1.253
  101    HB2  ALA  12           HB2      ALA  12   9.782  -1.592  -0.533
  102    HB3  ALA  12           HB3      ALA  12   8.063  -1.949  -0.700
  103    H    LEU  13           H        LEU  13   9.526   1.390   2.123
  104    HA   LEU  13           HA       LEU  13   7.570   3.334   1.874
  105    HB2  LEU  13           HB2      LEU  13  10.505   3.386   2.360
  106    HB3  LEU  13           HB3      LEU  13   9.683   4.909   2.028
  107    HG   LEU  13           HG       LEU  13   9.938   4.550   4.421
  108   HD11  LEU  13          HD11      LEU  13   7.676   4.971   5.083
  109   HD12  LEU  13          HD12      LEU  13   7.943   5.725   3.512
  110   HD13  LEU  13          HD13      LEU  13   7.054   4.207   3.622
  111   HD21  LEU  13          HD21      LEU  13   9.820   1.988   4.118
  112   HD22  LEU  13          HD22      LEU  13   9.138   2.704   5.579
  113   HD23  LEU  13          HD23      LEU  13   8.076   2.209   4.260
  114    HN1  NH2  14           HN1      NH2  14  10.184   2.491  -0.327
  115    HN2  NH2  14           HN2      NH2  14   9.736   3.492  -1.637
  Start of MODEL   15
    1    H1   ILE   1           H        ILE   1  -5.991  -1.794  -5.801
    2    HA   ILE   1           HA       ILE   1  -7.641   0.614  -5.462
    3    HB   ILE   1           HB       ILE   1  -8.735  -1.592  -5.097
    4   HG12  ILE   1          HG12      ILE   1  -8.664  -0.265  -2.423
    5   HG13  ILE   1          HG13      ILE   1  -9.180   0.687  -3.810
    6   HG21  ILE   1          HG21      ILE   1  -6.446  -2.339  -3.888
    7   HG22  ILE   1          HG22      ILE   1  -7.433  -1.946  -2.479
    8   HG23  ILE   1          HG23      ILE   1  -7.995  -3.147  -3.642
    9   HD11  ILE   1          HD11      ILE   1 -10.504  -1.857  -3.801
   10   HD12  ILE   1          HD12      ILE   1 -10.724  -1.035  -2.257
   11   HD13  ILE   1          HD13      ILE   1 -11.188  -0.232  -3.758
   12    H    PHE   2           H        PHE   2  -7.471   1.886  -3.589
   13    HA   PHE   2           HA       PHE   2  -4.927   2.510  -2.715
   14    HB2  PHE   2           HB2      PHE   2  -6.988   3.933  -2.479
   15    HB3  PHE   2           HB3      PHE   2  -7.448   2.935  -1.104
   16    HD1  PHE   2           HD1      PHE   2  -4.140   4.310  -2.120
   17    HD2  PHE   2           HD2      PHE   2  -7.259   4.256   0.778
   18    HE1  PHE   2           HE1      PHE   2  -2.786   5.735  -0.640
   19    HE2  PHE   2           HE2      PHE   2  -5.910   5.682   2.260
   20    HZ   PHE   2           HZ       PHE   2  -3.671   6.425   1.552
   21    H    TRP   3           H        TRP   3  -7.336   0.422  -1.167
   22    HA   TRP   3           HA       TRP   3  -6.049  -0.115   1.215
   23    HB2  TRP   3           HB2      TRP   3  -8.358  -0.916   0.284
   24    HB3  TRP   3           HB3      TRP   3  -7.446  -2.323  -0.257
   25    HD1  TRP   3           HD1      TRP   3  -8.486  -0.509   2.976
   26    HE1  TRP   3           HE1      TRP   3  -8.355  -2.188   4.922
   27    HE3  TRP   3           HE3      TRP   3  -6.397  -4.463   0.498
   28    HZ2  TRP   3           HZ2      TRP   3  -7.480  -4.838   5.352
   29    HZ3  TRP   3           HZ3      TRP   3  -5.945  -6.532   1.749
   30    HH2  TRP   3           HH2      TRP   3  -6.476  -6.715   4.127
   31    H    LEU   4           H        LEU   4  -5.479  -1.494  -1.971
   32    HA   LEU   4           HA       LEU   4  -3.598  -3.449  -1.014
   33    HB2  LEU   4           HB2      LEU   4  -4.801  -4.021  -2.966
   34    HB3  LEU   4           HB3      LEU   4  -4.397  -2.495  -3.750
   35    HG   LEU   4           HG       LEU   4  -2.034  -3.254  -3.883
   36   HD11  LEU   4          HD11      LEU   4  -1.946  -5.889  -3.682
   37   HD12  LEU   4          HD12      LEU   4  -1.617  -4.838  -2.303
   38   HD13  LEU   4          HD13      LEU   4  -3.201  -5.594  -2.479
   39   HD21  LEU   4          HD21      LEU   4  -4.230  -4.813  -5.203
   40   HD22  LEU   4          HD22      LEU   4  -3.245  -3.508  -5.865
   41   HD23  LEU   4          HD23      LEU   4  -2.534  -5.099  -5.589
   42    H    PHE   5           H        PHE   5  -3.429  -0.302  -2.619
   43    HA   PHE   5           HA       PHE   5  -0.680  -0.220  -3.090
   44    HB2  PHE   5           HB2      PHE   5  -2.594   1.420  -3.789
   45    HB3  PHE   5           HB3      PHE   5  -2.181   2.247  -2.291
   46    HD1  PHE   5           HD1      PHE   5  -0.164   0.627  -4.980
   47    HD2  PHE   5           HD2      PHE   5  -0.965   4.141  -2.715
   48    HE1  PHE   5           HE1      PHE   5   1.676   1.786  -6.132
   49    HE2  PHE   5           HE2      PHE   5   0.873   5.305  -3.864
   50    HZ   PHE   5           HZ       PHE   5   2.197   4.127  -5.574
   51    H    ARG   6           H        ARG   6  -2.544   0.597  -0.211
   52    HA   ARG   6           HA       ARG   6  -0.580   1.842   1.302
   53    HB2  ARG   6           HB2      ARG   6  -3.007   0.230   1.968
   54    HB3  ARG   6           HB3      ARG   6  -1.893   0.653   3.261
   55    HG2  ARG   6           HG2      ARG   6  -3.042   2.708   1.401
   56    HG3  ARG   6           HG3      ARG   6  -3.858   2.204   2.883
   57    HD2  ARG   6           HD2      ARG   6  -1.064   3.333   2.728
   58    HD3  ARG   6           HD3      ARG   6  -2.504   4.242   3.188
   59    HE   ARG   6           HE       ARG   6  -1.035   2.374   4.812
   60   HH11  ARG   6          HH11      ARG   6  -4.093   3.962   4.307
   61   HH12  ARG   6          HH12      ARG   6  -4.606   3.781   5.952
   62   HH21  ARG   6          HH21      ARG   6  -1.700   2.131   6.981
   63   HH22  ARG   6          HH22      ARG   6  -3.244   2.741   7.473
   64    H    GLY   7           H        GLY   7  -1.346  -1.627   1.078
   65    HA2  GLY   7           HA2      GLY   7   0.599  -2.513   2.908
   66    HA3  GLY   7           HA3      GLY   7  -0.124  -3.487   1.636
   67    H    LYS   8           H        LYS   8   0.793  -1.804  -0.531
   68    HA   LYS   8           HA       LYS   8   3.347  -2.987  -0.935
   69    HB2  LYS   8           HB2      LYS   8   1.870  -0.860  -2.497
   70    HB3  LYS   8           HB3      LYS   8   3.359  -1.628  -3.034
   71    HG2  LYS   8           HG2      LYS   8   0.917  -3.235  -2.372
   72    HG3  LYS   8           HG3      LYS   8   1.153  -2.510  -3.965
   73    HD2  LYS   8           HD2      LYS   8   3.209  -4.282  -2.666
   74    HD3  LYS   8           HD3      LYS   8   1.917  -4.915  -3.688
   75    HE2  LYS   8           HE2      LYS   8   3.928  -2.833  -4.536
   76    HE3  LYS   8           HE3      LYS   8   4.043  -4.553  -4.907
   77    HZ1  LYS   8           HZ1      LYS   8   2.312  -2.517  -6.053
   78    HZ2  LYS   8           HZ2      LYS   8   2.985  -3.895  -6.767
   79    HZ3  LYS   8           HZ3      LYS   8   1.602  -4.033  -5.802
   80    H    ALA   9           H        ALA   9   2.252   0.224  -0.012
   81    HA   ALA   9           HA       ALA   9   4.849   1.426  -0.205
   82    HB1  ALA   9           HB1      ALA   9   2.280   2.359   1.061
   83    HB2  ALA   9           HB2      ALA   9   3.754   3.325   1.002
   84    HB3  ALA   9           HB3      ALA   9   2.955   2.845  -0.495
   85    H    ASP  10           H        ASP  10   2.876   0.064   2.384
   86    HA   ASP  10           HA       ASP  10   4.322   0.870   4.599
   87    HB2  ASP  10           HB2      ASP  10   2.138  -0.483   4.479
   88    HB3  ASP  10           HB3      ASP  10   3.173  -1.903   4.363
   89    H    VAL  11           H        VAL  11   4.727  -2.198   2.822
   90    HA   VAL  11           HA       VAL  11   7.037  -3.016   4.199
   91    HB   VAL  11           HB       VAL  11   5.708  -4.597   2.915
   92   HG11  VAL  11          HG11      VAL  11   5.239  -2.901   1.067
   93   HG12  VAL  11          HG12      VAL  11   6.788  -3.392   0.384
   94   HG13  VAL  11          HG13      VAL  11   5.494  -4.575   0.578
   95   HG21  VAL  11          HG21      VAL  11   8.376  -4.503   1.552
   96   HG22  VAL  11          HG22      VAL  11   8.246  -4.840   3.278
   97   HG23  VAL  11          HG23      VAL  11   7.461  -5.904   2.112
   98    H    ALA  12           H        ALA  12   6.580  -1.054   1.316
   99    HA   ALA  12           HA       ALA  12   9.256  -1.014   0.442
  100    HB1  ALA  12           HB1      ALA  12   6.813   0.536  -0.106
  101    HB2  ALA  12           HB2      ALA  12   8.336   1.361  -0.438
  102    HB3  ALA  12           HB3      ALA  12   7.980  -0.181  -1.217
  103    H    LEU  13           H        LEU  13  10.888   0.537   0.713
  104    HA   LEU  13           HA       LEU  13  10.642   2.127   3.180
  105    HB2  LEU  13           HB2      LEU  13  12.287   0.370   3.376
  106    HB3  LEU  13           HB3      LEU  13  13.072   0.898   1.889
  107    HG   LEU  13           HG       LEU  13  13.372   3.138   3.263
  108   HD11  LEU  13          HD11      LEU  13  13.006   1.013   5.356
  109   HD12  LEU  13          HD12      LEU  13  13.936   2.485   5.642
  110   HD13  LEU  13          HD13      LEU  13  12.221   2.589   5.243
  111   HD21  LEU  13          HD21      LEU  13  15.191   0.903   4.036
  112   HD22  LEU  13          HD22      LEU  13  15.052   1.358   2.339
  113   HD23  LEU  13          HD23      LEU  13  15.579   2.548   3.531
  114    HN1  NH2  14           HN1      NH2  14   9.805   3.965   2.137
  115    HN2  NH2  14           HN2      NH2  14  10.734   4.992   1.138
  Start of MODEL   16
    1    H1   ILE   1           H        ILE   1  -9.090  -0.348  -3.355
    2    HA   ILE   1           HA       ILE   1  -6.822  -1.492  -4.846
    3    HB   ILE   1           HB       ILE   1  -8.005   1.251  -5.287
    4   HG12  ILE   1          HG12      ILE   1  -8.059  -1.145  -7.133
    5   HG13  ILE   1          HG13      ILE   1  -9.413  -0.655  -6.120
    6   HG21  ILE   1          HG21      ILE   1  -6.415   0.733  -7.425
    7   HG22  ILE   1          HG22      ILE   1  -5.914   1.649  -6.003
    8   HG23  ILE   1          HG23      ILE   1  -5.521  -0.065  -6.131
    9   HD11  ILE   1          HD11      ILE   1  -9.878   0.216  -8.234
   10   HD12  ILE   1          HD12      ILE   1  -9.273   1.589  -7.305
   11   HD13  ILE   1          HD13      ILE   1  -8.221   0.776  -8.465
   12    H    PHE   2           H        PHE   2  -7.849   1.364  -2.978
   13    HA   PHE   2           HA       PHE   2  -5.349   2.368  -2.350
   14    HB2  PHE   2           HB2      PHE   2  -6.417   3.493  -0.470
   15    HB3  PHE   2           HB3      PHE   2  -7.477   3.533  -1.876
   16    HD1  PHE   2           HD1      PHE   2  -7.035   2.348   1.518
   17    HD2  PHE   2           HD2      PHE   2  -9.473   2.095  -1.961
   18    HE1  PHE   2           HE1      PHE   2  -8.841   1.357   2.861
   19    HE2  PHE   2           HE2      PHE   2 -11.284   1.102  -0.624
   20    HZ   PHE   2           HZ       PHE   2 -10.969   0.733   1.790
   21    H    TRP   3           H        TRP   3  -7.151  -0.244  -0.838
   22    HA   TRP   3           HA       TRP   3  -5.565  -0.557   1.458
   23    HB2  TRP   3           HB2      TRP   3  -7.830  -1.618   0.956
   24    HB3  TRP   3           HB3      TRP   3  -6.948  -2.814   0.011
   25    HD1  TRP   3           HD1      TRP   3  -5.224  -4.423   1.405
   26    HE1  TRP   3           HE1      TRP   3  -5.328  -5.232   3.846
   27    HE3  TRP   3           HE3      TRP   3  -8.533  -0.994   3.260
   28    HZ2  TRP   3           HZ2      TRP   3  -6.639  -4.514   6.241
   29    HZ3  TRP   3           HZ3      TRP   3  -9.160  -1.125   5.636
   30    HH2  TRP   3           HH2      TRP   3  -8.232  -2.849   7.094
   31    H    LEU   4           H        LEU   4  -5.257  -1.865  -1.804
   32    HA   LEU   4           HA       LEU   4  -3.011  -3.531  -1.140
   33    HB2  LEU   4           HB2      LEU   4  -4.372  -4.269  -2.923
   34    HB3  LEU   4           HB3      LEU   4  -4.297  -2.701  -3.727
   35    HG   LEU   4           HG       LEU   4  -1.963  -3.091  -4.302
   36   HD11  LEU   4          HD11      LEU   4  -1.201  -4.396  -2.461
   37   HD12  LEU   4          HD12      LEU   4  -2.353  -5.683  -2.820
   38   HD13  LEU   4          HD13      LEU   4  -1.009  -5.370  -3.919
   39   HD21  LEU   4          HD21      LEU   4  -3.586  -5.512  -5.058
   40   HD22  LEU   4          HD22      LEU   4  -3.846  -3.910  -5.751
   41   HD23  LEU   4          HD23      LEU   4  -2.304  -4.733  -5.985
   42    H    PHE   5           H        PHE   5  -3.490  -0.375  -2.646
   43    HA   PHE   5           HA       PHE   5  -0.849   0.068  -3.481
   44    HB2  PHE   5           HB2      PHE   5  -3.076   1.417  -3.901
   45    HB3  PHE   5           HB3      PHE   5  -2.531   2.341  -2.504
   46    HD1  PHE   5           HD1      PHE   5  -1.890   1.508  -5.998
   47    HD2  PHE   5           HD2      PHE   5  -0.534   3.709  -2.617
   48    HE1  PHE   5           HE1      PHE   5  -0.416   2.831  -7.456
   49    HE2  PHE   5           HE2      PHE   5   0.943   5.036  -4.069
   50    HZ   PHE   5           HZ       PHE   5   1.003   4.599  -6.493
   51    H    ARG   6           H        ARG   6  -2.491   1.245  -0.540
   52    HA   ARG   6           HA       ARG   6  -0.296   2.436   0.668
   53    HB2  ARG   6           HB2      ARG   6  -2.750   1.129   1.830
   54    HB3  ARG   6           HB3      ARG   6  -1.545   1.918   2.840
   55    HG2  ARG   6           HG2      ARG   6  -1.912   4.009   1.569
   56    HG3  ARG   6           HG3      ARG   6  -3.201   3.197   0.676
   57    HD2  ARG   6           HD2      ARG   6  -4.254   4.413   2.412
   58    HD3  ARG   6           HD3      ARG   6  -4.279   2.721   2.905
   59    HE   ARG   6           HE       ARG   6  -2.024   3.673   4.059
   60   HH11  ARG   6          HH11      ARG   6  -5.342   4.726   4.051
   61   HH12  ARG   6          HH12      ARG   6  -5.261   5.426   5.633
   62   HH21  ARG   6          HH21      ARG   6  -1.903   4.591   6.143
   63   HH22  ARG   6          HH22      ARG   6  -3.303   5.350   6.823
   64    H    GLY   7           H        GLY   7  -1.459  -0.912   0.958
   65    HA2  GLY   7           HA2      GLY   7   0.343  -1.841   2.855
   66    HA3  GLY   7           HA3      GLY   7  -0.372  -2.832   1.591
   67    H    LYS   8           H        LYS   8   0.722  -1.807  -0.682
   68    HA   LYS   8           HA       LYS   8   3.183  -3.062  -0.855
   69    HB2  LYS   8           HB2      LYS   8   1.543  -2.134  -2.694
   70    HB3  LYS   8           HB3      LYS   8   2.594  -0.727  -2.629
   71    HG2  LYS   8           HG2      LYS   8   3.845  -3.405  -2.925
   72    HG3  LYS   8           HG3      LYS   8   3.028  -2.694  -4.318
   73    HD2  LYS   8           HD2      LYS   8   4.985  -1.066  -2.751
   74    HD3  LYS   8           HD3      LYS   8   5.570  -2.250  -3.923
   75    HE2  LYS   8           HE2      LYS   8   3.565  -0.092  -4.565
   76    HE3  LYS   8           HE3      LYS   8   5.302   0.077  -4.813
   77    HZ1  LYS   8           HZ1      LYS   8   4.544  -2.320  -5.990
   78    HZ2  LYS   8           HZ2      LYS   8   3.398  -1.172  -6.474
   79    HZ3  LYS   8           HZ3      LYS   8   5.042  -0.902  -6.766
   80    H    ALA   9           H        ALA   9   2.442   0.311  -0.147
   81    HA   ALA   9           HA       ALA   9   5.174   1.166  -0.176
   82    HB1  ALA   9           HB1      ALA   9   3.439   2.766  -0.646
   83    HB2  ALA   9           HB2      ALA   9   2.693   2.478   0.924
   84    HB3  ALA   9           HB3      ALA   9   4.276   3.247   0.829
   85    H    ASP  10           H        ASP  10   2.890   0.123   2.296
   86    HA   ASP  10           HA       ASP  10   4.296   0.850   4.583
   87    HB2  ASP  10           HB2      ASP  10   1.952  -0.129   4.427
   88    HB3  ASP  10           HB3      ASP  10   2.720  -1.710   4.318
   89    H    VAL  11           H        VAL  11   4.379  -2.282   2.877
   90    HA   VAL  11           HA       VAL  11   6.531  -3.290   4.456
   91    HB   VAL  11           HB       VAL  11   6.620  -5.124   2.807
   92   HG11  VAL  11          HG11      VAL  11   5.103  -5.792   4.333
   93   HG12  VAL  11          HG12      VAL  11   4.185  -4.291   4.232
   94   HG13  VAL  11          HG13      VAL  11   3.959  -5.547   3.014
   95   HG21  VAL  11          HG21      VAL  11   6.105  -4.528   0.704
   96   HG22  VAL  11          HG22      VAL  11   4.441  -4.843   1.198
   97   HG23  VAL  11          HG23      VAL  11   5.074  -3.197   1.229
   98    H    ALA  12           H        ALA  12   6.279  -1.669   1.349
   99    HA   ALA  12           HA       ALA  12   9.217  -1.486   1.283
  100    HB1  ALA  12           HB1      ALA  12   7.564  -1.649  -1.218
  101    HB2  ALA  12           HB2      ALA  12   9.304  -1.863  -1.027
  102    HB3  ALA  12           HB3      ALA  12   8.193  -3.090  -0.418
  103    H    LEU  13           H        LEU  13   9.070   0.573   2.267
  104    HA   LEU  13           HA       LEU  13   7.466   2.691   1.481
  105    HB2  LEU  13           HB2      LEU  13  10.208   2.578   2.690
  106    HB3  LEU  13           HB3      LEU  13   9.424   4.116   2.335
  107    HG   LEU  13           HG       LEU  13   8.007   2.101   4.025
  108   HD11  LEU  13          HD11      LEU  13  10.261   3.889   4.901
  109   HD12  LEU  13          HD12      LEU  13   9.056   3.235   6.011
  110   HD13  LEU  13          HD13      LEU  13  10.110   2.145   5.111
  111   HD21  LEU  13          HD21      LEU  13   6.572   3.777   4.251
  112   HD22  LEU  13          HD22      LEU  13   7.847   4.814   4.891
  113   HD23  LEU  13          HD23      LEU  13   7.551   4.747   3.152
  114    HN1  NH2  14           HN1      NH2  14   7.392   3.974  -0.246
  115    HN2  NH2  14           HN2      NH2  14   8.563   4.134  -1.480
  Start of MODEL   17
    1    H1   ILE   1           H        ILE   1  -9.032  -1.509  -4.517
    2    HA   ILE   1           HA       ILE   1  -6.397  -1.643  -4.855
    3    HB   ILE   1           HB       ILE   1  -7.864  -0.616  -6.516
    4   HG12  ILE   1          HG12      ILE   1  -6.322   1.160  -7.294
    5   HG13  ILE   1          HG13      ILE   1  -5.545   1.158  -5.715
    6   HG21  ILE   1          HG21      ILE   1  -9.020   1.296  -6.231
    7   HG22  ILE   1          HG22      ILE   1  -8.796   0.940  -4.517
    8   HG23  ILE   1          HG23      ILE   1  -7.718   2.073  -5.332
    9   HD11  ILE   1          HD11      ILE   1  -4.468  -0.811  -6.099
   10   HD12  ILE   1          HD12      ILE   1  -5.704  -1.401  -7.210
   11   HD13  ILE   1          HD13      ILE   1  -4.550  -0.178  -7.742
   12    H    PHE   2           H        PHE   2  -7.993   0.683  -2.760
   13    HA   PHE   2           HA       PHE   2  -5.775   2.322  -2.215
   14    HB2  PHE   2           HB2      PHE   2  -8.155   1.689  -0.458
   15    HB3  PHE   2           HB3      PHE   2  -7.034   3.024  -0.211
   16    HD1  PHE   2           HD1      PHE   2  -9.914   1.827  -2.030
   17    HD2  PHE   2           HD2      PHE   2  -6.959   4.885  -1.845
   18    HE1  PHE   2           HE1      PHE   2 -11.298   3.250  -3.485
   19    HE2  PHE   2           HE2      PHE   2  -8.339   6.311  -3.299
   20    HZ   PHE   2           HZ       PHE   2 -10.511   5.494  -4.122
   21    H    TRP   3           H        TRP   3  -7.039  -0.533  -0.528
   22    HA   TRP   3           HA       TRP   3  -5.191  -0.555   1.578
   23    HB2  TRP   3           HB2      TRP   3  -7.218  -1.909   1.627
   24    HB3  TRP   3           HB3      TRP   3  -6.639  -2.866   0.267
   25    HD1  TRP   3           HD1      TRP   3  -6.029  -5.180   1.165
   26    HE1  TRP   3           HE1      TRP   3  -4.733  -6.093   3.193
   27    HE3  TRP   3           HE3      TRP   3  -5.064  -0.769   3.562
   28    HZ2  TRP   3           HZ2      TRP   3  -3.468  -5.076   5.503
   29    HZ3  TRP   3           HZ3      TRP   3  -3.806  -0.826   5.677
   30    HH2  TRP   3           HH2      TRP   3  -3.026  -2.936   6.624
   31    H    LEU   4           H        LEU   4  -5.060  -2.000  -1.646
   32    HA   LEU   4           HA       LEU   4  -2.613  -3.386  -1.236
   33    HB2  LEU   4           HB2      LEU   4  -3.967  -4.170  -2.982
   34    HB3  LEU   4           HB3      LEU   4  -4.162  -2.559  -3.668
   35    HG   LEU   4           HG       LEU   4  -1.900  -2.591  -4.504
   36   HD11  LEU   4          HD11      LEU   4  -1.014  -5.205  -4.148
   37   HD12  LEU   4          HD12      LEU   4  -0.362  -3.747  -3.398
   38   HD13  LEU   4          HD13      LEU   4  -1.589  -4.696  -2.559
   39   HD21  LEU   4          HD21      LEU   4  -2.104  -4.303  -6.166
   40   HD22  LEU   4          HD22      LEU   4  -3.199  -5.234  -5.144
   41   HD23  LEU   4          HD23      LEU   4  -3.719  -3.687  -5.811
   42    H    PHE   5           H        PHE   5  -3.389  -0.337  -2.907
   43    HA   PHE   5           HA       PHE   5  -0.817   0.368  -3.672
   44    HB2  PHE   5           HB2      PHE   5  -2.691   1.605  -4.516
   45    HB3  PHE   5           HB3      PHE   5  -3.168   2.098  -2.895
   46    HD1  PHE   5           HD1      PHE   5   0.078   2.172  -4.730
   47    HD2  PHE   5           HD2      PHE   5  -2.925   4.366  -2.661
   48    HE1  PHE   5           HE1      PHE   5   1.418   4.223  -4.967
   49    HE2  PHE   5           HE2      PHE   5  -1.591   6.420  -2.895
   50    HZ   PHE   5           HZ       PHE   5   0.584   6.350  -4.049
   51    H    ARG   6           H        ARG   6  -2.481   0.905  -0.604
   52    HA   ARG   6           HA       ARG   6  -0.371   2.462   0.537
   53    HB2  ARG   6           HB2      ARG   6  -2.893   2.351   1.189
   54    HB3  ARG   6           HB3      ARG   6  -2.402   0.973   2.166
   55    HG2  ARG   6           HG2      ARG   6  -0.711   2.466   3.256
   56    HG3  ARG   6           HG3      ARG   6  -1.459   3.817   2.402
   57    HD2  ARG   6           HD2      ARG   6  -3.579   3.366   3.489
   58    HD3  ARG   6           HD3      ARG   6  -2.893   1.951   4.287
   59    HE   ARG   6           HE       ARG   6  -2.639   4.672   5.106
   60   HH11  ARG   6          HH11      ARG   6  -1.030   1.585   5.088
   61   HH12  ARG   6          HH12      ARG   6  -0.083   1.925   6.498
   62   HH21  ARG   6          HH21      ARG   6  -1.398   5.131   6.963
   63   HH22  ARG   6          HH22      ARG   6  -0.294   3.941   7.565
   64    H    GLY   7           H        GLY   7  -1.533  -0.860   1.140
   65    HA2  GLY   7           HA2      GLY   7   0.389  -1.655   2.964
   66    HA3  GLY   7           HA3      GLY   7  -0.407  -2.740   1.833
   67    H    LYS   8           H        LYS   8   0.580  -1.718  -0.576
   68    HA   LYS   8           HA       LYS   8   2.967  -3.099  -0.866
   69    HB2  LYS   8           HB2      LYS   8   1.388  -2.343  -2.693
   70    HB3  LYS   8           HB3      LYS   8   2.131  -0.753  -2.573
   71    HG2  LYS   8           HG2      LYS   8   4.339  -1.907  -3.028
   72    HG3  LYS   8           HG3      LYS   8   3.389  -3.330  -3.460
   73    HD2  LYS   8           HD2      LYS   8   2.991  -0.617  -4.710
   74    HD3  LYS   8           HD3      LYS   8   4.052  -1.854  -5.386
   75    HE2  LYS   8           HE2      LYS   8   2.163  -3.382  -5.579
   76    HE3  LYS   8           HE3      LYS   8   1.098  -2.173  -4.865
   77    HZ1  LYS   8           HZ1      LYS   8   2.614  -1.360  -7.217
   78    HZ2  LYS   8           HZ2      LYS   8   1.370  -2.477  -7.471
   79    HZ3  LYS   8           HZ3      LYS   8   1.029  -0.978  -6.765
   80    H    ALA   9           H        ALA   9   2.410   0.299  -0.123
   81    HA   ALA   9           HA       ALA   9   5.191   1.008  -0.293
   82    HB1  ALA   9           HB1      ALA   9   3.279   2.586  -0.707
   83    HB2  ALA   9           HB2      ALA   9   2.995   2.586   1.033
   84    HB3  ALA   9           HB3      ALA   9   4.525   3.184   0.387
   85    H    ASP  10           H        ASP  10   2.901   0.264   2.292
   86    HA   ASP  10           HA       ASP  10   4.446   0.947   4.497
   87    HB2  ASP  10           HB2      ASP  10   1.991   0.061   4.323
   88    HB3  ASP  10           HB3      ASP  10   2.740  -1.518   4.541
   89    H    VAL  11           H        VAL  11   4.125  -2.302   3.056
   90    HA   VAL  11           HA       VAL  11   6.242  -3.420   4.573
   91    HB   VAL  11           HB       VAL  11   4.496  -4.826   3.608
   92   HG11  VAL  11          HG11      VAL  11   3.937  -4.898   1.426
   93   HG12  VAL  11          HG12      VAL  11   4.721  -3.319   1.374
   94   HG13  VAL  11          HG13      VAL  11   5.609  -4.762   0.884
   95   HG21  VAL  11          HG21      VAL  11   5.887  -6.624   2.814
   96   HG22  VAL  11          HG22      VAL  11   7.179  -5.496   2.403
   97   HG23  VAL  11          HG23      VAL  11   6.742  -5.761   4.092
   98    H    ALA  12           H        ALA  12   6.069  -1.911   1.404
   99    HA   ALA  12           HA       ALA  12   7.667  -1.231  -0.068
  100    HB1  ALA  12           HB1      ALA  12   9.546  -1.373   2.284
  101    HB2  ALA  12           HB2      ALA  12   9.728  -0.399   0.824
  102    HB3  ALA  12           HB3      ALA  12   8.441  -0.033   1.974
  103    H    LEU  13           H        LEU  13   7.145  -3.901  -0.217
  104    HA   LEU  13           HA       LEU  13   9.759  -5.223  -0.401
  105    HB2  LEU  13           HB2      LEU  13   8.115  -6.456   0.848
  106    HB3  LEU  13           HB3      LEU  13   6.951  -6.315  -0.467
  107    HG   LEU  13           HG       LEU  13   8.450  -7.733  -1.861
  108   HD11  LEU  13          HD11      LEU  13  10.186  -9.040  -0.706
  109   HD12  LEU  13          HD12      LEU  13  10.554  -7.315  -0.744
  110   HD13  LEU  13          HD13      LEU  13   9.945  -8.055   0.738
  111   HD21  LEU  13          HD21      LEU  13   6.800  -9.076  -1.112
  112   HD22  LEU  13          HD22      LEU  13   8.099  -9.787  -0.154
  113   HD23  LEU  13          HD23      LEU  13   7.020  -8.592   0.570
  114    HN1  NH2  14           HN1      NH2  14  10.726  -5.329  -2.308
  115    HN2  NH2  14           HN2      NH2  14  10.009  -5.280  -3.857
  Start of MODEL   18
    1    H1   ILE   1           H        ILE   1  -9.796  -0.969  -4.010
    2    HA   ILE   1           HA       ILE   1  -7.319  -1.925  -4.258
    3    HB   ILE   1           HB       ILE   1  -6.806  -0.209  -5.944
    4   HG12  ILE   1          HG12      ILE   1  -9.042   1.348  -6.190
    5   HG13  ILE   1          HG13      ILE   1  -8.875   1.251  -4.441
    6   HG21  ILE   1          HG21      ILE   1  -8.713  -2.107  -6.062
    7   HG22  ILE   1          HG22      ILE   1  -9.668  -0.678  -6.453
    8   HG23  ILE   1          HG23      ILE   1  -8.257  -1.089  -7.428
    9   HD11  ILE   1          HD11      ILE   1  -6.313   1.782  -5.335
   10   HD12  ILE   1          HD12      ILE   1  -7.351   2.768  -6.365
   11   HD13  ILE   1          HD13      ILE   1  -7.441   2.929  -4.612
   12    H    PHE   2           H        PHE   2  -8.127   1.090  -2.648
   13    HA   PHE   2           HA       PHE   2  -5.587   2.189  -2.374
   14    HB2  PHE   2           HB2      PHE   2  -7.961   2.315  -0.505
   15    HB3  PHE   2           HB3      PHE   2  -6.522   3.316  -0.337
   16    HD1  PHE   2           HD1      PHE   2  -9.702   2.953  -1.914
   17    HD2  PHE   2           HD2      PHE   2  -5.913   4.863  -2.255
   18    HE1  PHE   2           HE1      PHE   2 -10.677   4.603  -3.458
   19    HE2  PHE   2           HE2      PHE   2  -6.882   6.517  -3.796
   20    HZ   PHE   2           HZ       PHE   2  -9.266   6.388  -4.402
   21    H    TRP   3           H        TRP   3  -7.197  -0.312  -0.500
   22    HA   TRP   3           HA       TRP   3  -5.456  -0.457   1.673
   23    HB2  TRP   3           HB2      TRP   3  -7.681  -1.674   1.321
   24    HB3  TRP   3           HB3      TRP   3  -6.755  -2.870   0.417
   25    HD1  TRP   3           HD1      TRP   3  -4.650  -4.026   1.911
   26    HE1  TRP   3           HE1      TRP   3  -4.704  -4.779   4.373
   27    HE3  TRP   3           HE3      TRP   3  -8.662  -1.291   3.508
   28    HZ2  TRP   3           HZ2      TRP   3  -6.245  -4.280   6.685
   29    HZ3  TRP   3           HZ3      TRP   3  -9.363  -1.485   5.860
   30    HH2  TRP   3           HH2      TRP   3  -8.177  -2.951   7.413
   31    H    LEU   4           H        LEU   4  -5.269  -1.996  -1.508
   32    HA   LEU   4           HA       LEU   4  -2.873  -3.444  -0.888
   33    HB2  LEU   4           HB2      LEU   4  -4.187  -2.832  -3.532
   34    HB3  LEU   4           HB3      LEU   4  -2.835  -3.940  -3.306
   35    HG   LEU   4           HG       LEU   4  -5.364  -4.423  -1.800
   36   HD11  LEU   4          HD11      LEU   4  -4.989  -5.411  -4.610
   37   HD12  LEU   4          HD12      LEU   4  -6.427  -5.499  -3.593
   38   HD13  LEU   4          HD13      LEU   4  -5.898  -3.946  -4.241
   39   HD21  LEU   4          HD21      LEU   4  -4.669  -6.705  -1.938
   40   HD22  LEU   4          HD22      LEU   4  -3.413  -6.310  -3.111
   41   HD23  LEU   4          HD23      LEU   4  -3.274  -5.746  -1.445
   42    H    PHE   5           H        PHE   5  -3.642  -0.506  -2.718
   43    HA   PHE   5           HA       PHE   5  -1.150   0.081  -3.754
   44    HB2  PHE   5           HB2      PHE   5  -3.189   1.351  -4.292
   45    HB3  PHE   5           HB3      PHE   5  -3.184   2.043  -2.673
   46    HD1  PHE   5           HD1      PHE   5  -1.143   1.803  -5.767
   47    HD2  PHE   5           HD2      PHE   5  -2.051   4.022  -2.249
   48    HE1  PHE   5           HE1      PHE   5   0.282   3.644  -6.563
   49    HE2  PHE   5           HE2      PHE   5  -0.628   5.867  -3.041
   50    HZ   PHE   5           HZ       PHE   5   0.542   5.679  -5.201
   51    H    ARG   6           H        ARG   6  -2.480   1.182  -0.637
   52    HA   ARG   6           HA       ARG   6  -0.107   2.447   0.226
   53    HB2  ARG   6           HB2      ARG   6  -1.156   2.546   2.413
   54    HB3  ARG   6           HB3      ARG   6  -2.340   2.926   1.170
   55    HG2  ARG   6           HG2      ARG   6  -2.984   0.441   1.318
   56    HG3  ARG   6           HG3      ARG   6  -2.101   0.460   2.846
   57    HD2  ARG   6           HD2      ARG   6  -3.561   2.564   3.338
   58    HD3  ARG   6           HD3      ARG   6  -4.603   1.902   2.079
   59    HE   ARG   6           HE       ARG   6  -4.193  -0.203   3.741
   60   HH11  ARG   6          HH11      ARG   6  -5.302   3.064   4.208
   61   HH12  ARG   6          HH12      ARG   6  -6.314   2.667   5.557
   62   HH21  ARG   6          HH21      ARG   6  -5.521  -0.738   5.516
   63   HH22  ARG   6          HH22      ARG   6  -6.437   0.504   6.300
   64    H    GLY   7           H        GLY   7  -1.344  -0.829   0.585
   65    HA2  GLY   7           HA2      GLY   7   0.378  -1.788   2.552
   66    HA3  GLY   7           HA3      GLY   7  -0.321  -2.767   1.271
   67    H    LYS   8           H        LYS   8   0.910  -1.463  -0.926
   68    HA   LYS   8           HA       LYS   8   3.293  -2.888  -1.134
   69    HB2  LYS   8           HB2      LYS   8   1.790  -1.734  -2.947
   70    HB3  LYS   8           HB3      LYS   8   2.879  -0.374  -2.710
   71    HG2  LYS   8           HG2      LYS   8   3.721  -1.595  -4.540
   72    HG3  LYS   8           HG3      LYS   8   4.779  -1.959  -3.175
   73    HD2  LYS   8           HD2      LYS   8   3.537  -4.055  -2.802
   74    HD3  LYS   8           HD3      LYS   8   2.534  -3.692  -4.209
   75    HE2  LYS   8           HE2      LYS   8   4.862  -3.497  -5.411
   76    HE3  LYS   8           HE3      LYS   8   5.399  -4.508  -4.070
   77    HZ1  LYS   8           HZ1      LYS   8   4.775  -5.934  -5.838
   78    HZ2  LYS   8           HZ2      LYS   8   3.556  -6.054  -4.671
   79    HZ3  LYS   8           HZ3      LYS   8   3.301  -5.137  -6.070
   80    H    ALA   9           H        ALA   9   2.721   0.473  -0.209
   81    HA   ALA   9           HA       ALA   9   5.519   1.096  -0.001
   82    HB1  ALA   9           HB1      ALA   9   4.860   3.254   0.612
   83    HB2  ALA   9           HB2      ALA   9   3.608   2.721  -0.508
   84    HB3  ALA   9           HB3      ALA   9   3.304   2.702   1.229
   85    H    ASP  10           H        ASP  10   2.923   0.227   2.224
   86    HA   ASP  10           HA       ASP  10   4.132   0.758   4.653
   87    HB2  ASP  10           HB2      ASP  10   1.844   0.079   4.625
   88    HB3  ASP  10           HB3      ASP  10   2.240  -1.450   3.846
   89    H    VAL  11           H        VAL  11   4.200  -2.337   2.880
   90    HA   VAL  11           HA       VAL  11   5.935  -3.696   4.574
   91    HB   VAL  11           HB       VAL  11   6.498  -5.108   2.599
   92   HG11  VAL  11          HG11      VAL  11   4.616  -6.222   3.006
   93   HG12  VAL  11          HG12      VAL  11   4.072  -4.823   3.934
   94   HG13  VAL  11          HG13      VAL  11   3.638  -4.976   2.231
   95   HG21  VAL  11          HG21      VAL  11   5.266  -4.648   0.487
   96   HG22  VAL  11          HG22      VAL  11   4.813  -3.075   1.143
   97   HG23  VAL  11          HG23      VAL  11   6.512  -3.455   0.856
   98    H    ALA  12           H        ALA  12   6.621  -1.464   1.943
   99    HA   ALA  12           HA       ALA  12   9.464  -1.919   2.035
  100    HB1  ALA  12           HB1      ALA  12   9.367   0.261   0.574
  101    HB2  ALA  12           HB2      ALA  12   8.847  -1.291  -0.083
  102    HB3  ALA  12           HB3      ALA  12   7.649  -0.131   0.490
  103    H    LEU  13           H        LEU  13   9.260  -1.482   4.497
  104    HA   LEU  13           HA       LEU  13   9.013   1.193   5.400
  105    HB2  LEU  13           HB2      LEU  13   8.841  -0.998   6.726
  106    HB3  LEU  13           HB3      LEU  13  10.600  -0.932   6.802
  107    HG   LEU  13           HG       LEU  13   9.007   1.415   7.737
  108   HD11  LEU  13          HD11      LEU  13   9.639  -0.901   9.540
  109   HD12  LEU  13          HD12      LEU  13   8.627   0.507   9.865
  110   HD13  LEU  13          HD13      LEU  13   8.078  -0.732   8.737
  111   HD21  LEU  13          HD21      LEU  13  11.712   0.737   7.626
  112   HD22  LEU  13          HD22      LEU  13  10.986   2.102   8.472
  113   HD23  LEU  13          HD23      LEU  13  11.261   0.584   9.324
  114    HN1  NH2  14           HN1      NH2  14  10.335   2.764   4.755
  115    HN2  NH2  14           HN2      NH2  14  12.039   2.714   4.639
  Start of MODEL   19
    1    H1   ILE   1           H        ILE   1  -5.683  -0.653  -6.025
    2    HA   ILE   1           HA       ILE   1  -8.177   0.182  -4.856
    3    HB   ILE   1           HB       ILE   1  -6.874  -2.309  -3.757
    4   HG12  ILE   1          HG12      ILE   1  -9.521  -2.042  -5.198
    5   HG13  ILE   1          HG13      ILE   1  -8.052  -2.687  -5.924
    6   HG21  ILE   1          HG21      ILE   1  -9.421  -2.079  -2.722
    7   HG22  ILE   1          HG22      ILE   1  -7.918  -1.676  -1.892
    8   HG23  ILE   1          HG23      ILE   1  -8.826  -0.417  -2.731
    9   HD11  ILE   1          HD11      ILE   1  -9.954  -3.934  -4.085
   10   HD12  ILE   1          HD12      ILE   1  -8.892  -4.656  -5.293
   11   HD13  ILE   1          HD13      ILE   1  -8.256  -4.224  -3.705
   12    H    PHE   2           H        PHE   2  -7.909   1.313  -2.947
   13    HA   PHE   2           HA       PHE   2  -5.352   2.434  -2.485
   14    HB2  PHE   2           HB2      PHE   2  -7.921   2.560  -0.901
   15    HB3  PHE   2           HB3      PHE   2  -6.478   3.475  -0.476
   16    HD1  PHE   2           HD1      PHE   2  -9.215   3.114  -2.874
   17    HD2  PHE   2           HD2      PHE   2  -5.768   5.363  -1.790
   18    HE1  PHE   2           HE1      PHE   2  -9.903   4.904  -4.415
   19    HE2  PHE   2           HE2      PHE   2  -6.451   7.157  -3.329
   20    HZ   PHE   2           HZ       PHE   2  -8.520   6.929  -4.646
   21    H    TRP   3           H        TRP   3  -7.297   0.079  -0.682
   22    HA   TRP   3           HA       TRP   3  -5.647  -0.227   1.535
   23    HB2  TRP   3           HB2      TRP   3  -7.619  -2.006   0.156
   24    HB3  TRP   3           HB3      TRP   3  -6.624  -2.667   1.450
   25    HD1  TRP   3           HD1      TRP   3  -8.764   0.565   1.057
   26    HE1  TRP   3           HE1      TRP   3 -10.120   0.872   3.222
   27    HE3  TRP   3           HE3      TRP   3  -7.116  -3.531   3.634
   28    HZ2  TRP   3           HZ2      TRP   3 -10.450  -0.449   5.695
   29    HZ3  TRP   3           HZ3      TRP   3  -8.002  -3.938   5.893
   30    HH2  TRP   3           HH2      TRP   3  -9.633  -2.427   6.901
   31    H    LEU   4           H        LEU   4  -5.458  -1.705  -1.657
   32    HA   LEU   4           HA       LEU   4  -3.306  -3.469  -0.952
   33    HB2  LEU   4           HB2      LEU   4  -4.448  -2.626  -3.608
   34    HB3  LEU   4           HB3      LEU   4  -3.160  -3.815  -3.425
   35    HG   LEU   4           HG       LEU   4  -5.934  -4.108  -2.277
   36   HD11  LEU   4          HD11      LEU   4  -6.253  -5.776  -4.070
   37   HD12  LEU   4          HD12      LEU   4  -6.064  -4.132  -4.685
   38   HD13  LEU   4          HD13      LEU   4  -4.719  -5.270  -4.780
   39   HD21  LEU   4          HD21      LEU   4  -4.312  -6.486  -2.707
   40   HD22  LEU   4          HD22      LEU   4  -3.596  -5.364  -1.550
   41   HD23  LEU   4          HD23      LEU   4  -5.228  -5.980  -1.288
   42    H    PHE   5           H        PHE   5  -3.585  -0.420  -2.747
   43    HA   PHE   5           HA       PHE   5  -0.914  -0.161  -3.506
   44    HB2  PHE   5           HB2      PHE   5  -2.928   1.249  -4.224
   45    HB3  PHE   5           HB3      PHE   5  -2.662   2.173  -2.749
   46    HD1  PHE   5           HD1      PHE   5  -0.774   0.932  -5.716
   47    HD2  PHE   5           HD2      PHE   5  -1.331   4.040  -2.864
   48    HE1  PHE   5           HE1      PHE   5   0.904   2.299  -6.884
   49    HE2  PHE   5           HE2      PHE   5   0.345   5.414  -4.027
   50    HZ   PHE   5           HZ       PHE   5   1.466   4.545  -6.040
   51    H    ARG   6           H        ARG   6  -2.545   0.707  -0.508
   52    HA   ARG   6           HA       ARG   6  -0.441   2.167   0.658
   53    HB2  ARG   6           HB2      ARG   6  -2.929   1.898   1.387
   54    HB3  ARG   6           HB3      ARG   6  -2.336   0.508   2.287
   55    HG2  ARG   6           HG2      ARG   6  -0.951   3.123   2.609
   56    HG3  ARG   6           HG3      ARG   6  -2.506   2.869   3.404
   57    HD2  ARG   6           HD2      ARG   6  -1.512   0.720   4.324
   58    HD3  ARG   6           HD3      ARG   6   0.047   1.325   3.767
   59    HE   ARG   6           HE       ARG   6   0.063   2.804   5.515
   60   HH11  ARG   6          HH11      ARG   6  -3.145   1.508   5.137
   61   HH12  ARG   6          HH12      ARG   6  -3.743   2.209   6.604
   62   HH21  ARG   6          HH21      ARG   6  -0.712   3.733   7.450
   63   HH22  ARG   6          HH22      ARG   6  -2.359   3.476   7.919
   64    H    GLY   7           H        GLY   7  -1.296  -1.274   0.832
   65    HA2  GLY   7           HA2      GLY   7   0.612  -2.094   2.689
   66    HA3  GLY   7           HA3      GLY   7  -0.050  -3.111   1.417
   67    H    LYS   8           H        LYS   8   0.910  -1.805  -0.836
   68    HA   LYS   8           HA       LYS   8   3.418  -2.918  -1.173
   69    HB2  LYS   8           HB2      LYS   8   1.916  -0.766  -2.620
   70    HB3  LYS   8           HB3      LYS   8   3.577  -1.121  -3.075
   71    HG2  LYS   8           HG2      LYS   8   1.491  -3.268  -2.920
   72    HG3  LYS   8           HG3      LYS   8   1.724  -2.288  -4.369
   73    HD2  LYS   8           HD2      LYS   8   4.006  -3.737  -3.060
   74    HD3  LYS   8           HD3      LYS   8   2.955  -4.533  -4.233
   75    HE2  LYS   8           HE2      LYS   8   3.475  -2.641  -5.812
   76    HE3  LYS   8           HE3      LYS   8   4.698  -2.112  -4.658
   77    HZ1  LYS   8           HZ1      LYS   8   4.907  -4.897  -5.301
   78    HZ2  LYS   8           HZ2      LYS   8   5.076  -3.905  -6.663
   79    HZ3  LYS   8           HZ3      LYS   8   6.093  -3.692  -5.327
   80    H    ALA   9           H        ALA   9   2.543   0.303  -0.062
   81    HA   ALA   9           HA       ALA   9   5.290   1.207  -0.012
   82    HB1  ALA   9           HB1      ALA   9   2.921   2.516  -0.238
   83    HB2  ALA   9           HB2      ALA   9   3.299   2.776   1.465
   84    HB3  ALA   9           HB3      ALA   9   4.446   3.274   0.222
   85    H    ASP  10           H        ASP  10   2.858   0.102   2.288
   86    HA   ASP  10           HA       ASP  10   4.080   0.752   4.682
   87    HB2  ASP  10           HB2      ASP  10   1.803  -0.283   4.381
   88    HB3  ASP  10           HB3      ASP  10   2.607  -1.834   4.154
   89    H    VAL  11           H        VAL  11   4.532  -2.179   2.721
   90    HA   VAL  11           HA       VAL  11   6.421  -3.396   4.425
   91    HB   VAL  11           HB       VAL  11   7.029  -4.775   2.455
   92   HG11  VAL  11          HG11      VAL  11   5.106  -6.024   2.531
   93   HG12  VAL  11          HG12      VAL  11   4.881  -4.999   3.949
   94   HG13  VAL  11          HG13      VAL  11   4.055  -4.610   2.440
   95   HG21  VAL  11          HG21      VAL  11   5.149  -2.907   1.021
   96   HG22  VAL  11          HG22      VAL  11   6.862  -3.163   0.690
   97   HG23  VAL  11          HG23      VAL  11   5.700  -4.451   0.372
   98    H    ALA  12           H        ALA  12   6.735  -1.120   1.761
   99    HA   ALA  12           HA       ALA  12   9.547  -1.287   1.485
  100    HB1  ALA  12           HB1      ALA  12   9.120   1.137   0.532
  101    HB2  ALA  12           HB2      ALA  12   8.616  -0.303  -0.351
  102    HB3  ALA  12           HB3      ALA  12   7.439   0.609   0.594
  103    H    LEU  13           H        LEU  13   7.437   0.616   3.549
  104    HA   LEU  13           HA       LEU  13   9.616   2.234   4.554
  105    HB2  LEU  13           HB2      LEU  13   7.490   3.298   4.353
  106    HB3  LEU  13           HB3      LEU  13   6.703   2.024   5.283
  107    HG   LEU  13           HG       LEU  13   7.842   2.773   7.302
  108   HD11  LEU  13          HD11      LEU  13   9.518   4.131   5.426
  109   HD12  LEU  13          HD12      LEU  13   8.828   5.299   6.552
  110   HD13  LEU  13          HD13      LEU  13   9.735   3.915   7.163
  111   HD21  LEU  13          HD21      LEU  13   6.845   5.162   7.320
  112   HD22  LEU  13          HD22      LEU  13   6.251   4.748   5.712
  113   HD23  LEU  13          HD23      LEU  13   5.765   3.783   7.107
  114    HN1  NH2  14           HN1      NH2  14  11.040   1.262   5.849
  115    HN2  NH2  14           HN2      NH2  14  10.711   0.244   7.180
  Start of MODEL   20
    1    H1   ILE   1           H        ILE   1  -5.521  -1.001  -5.916
    2    HA   ILE   1           HA       ILE   1  -8.052   0.099  -4.945
    3    HB   ILE   1           HB       ILE   1  -6.850  -2.414  -3.779
    4   HG12  ILE   1          HG12      ILE   1  -9.395  -2.107  -5.386
    5   HG13  ILE   1          HG13      ILE   1  -7.889  -2.761  -6.022
    6   HG21  ILE   1          HG21      ILE   1  -7.981  -1.018  -2.141
    7   HG22  ILE   1          HG22      ILE   1  -9.415  -0.954  -3.166
    8   HG23  ILE   1          HG23      ILE   1  -8.910  -2.484  -2.452
    9   HD11  ILE   1          HD11      ILE   1  -8.978  -4.686  -5.502
   10   HD12  ILE   1          HD12      ILE   1  -8.136  -4.399  -3.979
   11   HD13  ILE   1          HD13      ILE   1  -9.838  -3.965  -4.141
   12    H    PHE   2           H        PHE   2  -7.866   1.340  -3.137
   13    HA   PHE   2           HA       PHE   2  -5.425   2.480  -2.477
   14    HB2  PHE   2           HB2      PHE   2  -8.010   2.342  -0.925
   15    HB3  PHE   2           HB3      PHE   2  -6.632   3.308  -0.408
   16    HD1  PHE   2           HD1      PHE   2  -9.670   3.482  -2.001
   17    HD2  PHE   2           HD2      PHE   2  -5.648   4.797  -2.456
   18    HE1  PHE   2           HE1      PHE   2 -10.440   5.333  -3.426
   19    HE2  PHE   2           HE2      PHE   2  -6.411   6.649  -3.882
   20    HZ   PHE   2           HZ       PHE   2  -8.810   6.920  -4.370
   21    H    TRP   3           H        TRP   3  -7.271   0.042  -0.653
   22    HA   TRP   3           HA       TRP   3  -5.550  -0.310   1.477
   23    HB2  TRP   3           HB2      TRP   3  -7.823  -1.358   1.172
   24    HB3  TRP   3           HB3      TRP   3  -7.061  -2.547   0.120
   25    HD1  TRP   3           HD1      TRP   3  -6.759  -1.309   3.785
   26    HE1  TRP   3           HE1      TRP   3  -6.074  -3.317   5.244
   27    HE3  TRP   3           HE3      TRP   3  -6.214  -4.828   0.117
   28    HZ2  TRP   3           HZ2      TRP   3  -5.393  -6.033   4.884
   29    HZ3  TRP   3           HZ3      TRP   3  -5.543  -7.106   0.758
   30    HH2  TRP   3           HH2      TRP   3  -5.141  -7.694   3.092
   31    H    LEU   4           H        LEU   4  -5.385  -1.713  -1.756
   32    HA   LEU   4           HA       LEU   4  -3.223  -3.471  -1.208
   33    HB2  LEU   4           HB2      LEU   4  -4.547  -3.974  -3.084
   34    HB3  LEU   4           HB3      LEU   4  -4.393  -2.342  -3.731
   35    HG   LEU   4           HG       LEU   4  -2.101  -2.759  -4.356
   36   HD11  LEU   4          HD11      LEU   4  -2.507  -5.300  -2.829
   37   HD12  LEU   4          HD12      LEU   4  -1.310  -5.208  -4.122
   38   HD13  LEU   4          HD13      LEU   4  -1.188  -4.131  -2.729
   39   HD21  LEU   4          HD21      LEU   4  -2.472  -4.677  -5.952
   40   HD22  LEU   4          HD22      LEU   4  -4.057  -4.883  -5.205
   41   HD23  LEU   4          HD23      LEU   4  -3.660  -3.376  -6.029
   42    H    PHE   5           H        PHE   5  -3.381  -0.288  -2.793
   43    HA   PHE   5           HA       PHE   5  -0.653   0.007  -3.296
   44    HB2  PHE   5           HB2      PHE   5  -2.457   1.463  -4.219
   45    HB3  PHE   5           HB3      PHE   5  -2.610   2.214  -2.634
   46    HD1  PHE   5           HD1      PHE   5   0.314   1.278  -4.756
   47    HD2  PHE   5           HD2      PHE   5  -1.776   4.347  -2.675
   48    HE1  PHE   5           HE1      PHE   5   2.083   2.880  -5.351
   49    HE2  PHE   5           HE2      PHE   5  -0.010   5.956  -3.267
   50    HZ   PHE   5           HZ       PHE   5   1.923   5.222  -4.605
   51    H    ARG   6           H        ARG   6  -2.548   0.736  -0.416
   52    HA   ARG   6           HA       ARG   6  -0.616   2.157   1.019
   53    HB2  ARG   6           HB2      ARG   6  -3.089   1.809   1.574
   54    HB3  ARG   6           HB3      ARG   6  -2.600   0.273   2.280
   55    HG2  ARG   6           HG2      ARG   6  -0.895   1.793   3.584
   56    HG3  ARG   6           HG3      ARG   6  -2.084   3.044   3.217
   57    HD2  ARG   6           HD2      ARG   6  -3.780   1.934   4.399
   58    HD3  ARG   6           HD3      ARG   6  -2.881   0.417   4.429
   59    HE   ARG   6           HE       ARG   6  -1.846   1.132   6.330
   60   HH11  ARG   6          HH11      ARG   6  -3.168   3.895   4.676
   61   HH12  ARG   6          HH12      ARG   6  -2.769   5.008   5.943
   62   HH21  ARG   6          HH21      ARG   6  -1.315   2.587   8.004
   63   HH22  ARG   6          HH22      ARG   6  -1.714   4.263   7.835
   64    H    GLY   7           H        GLY   7  -1.332  -1.330   1.000
   65    HA2  GLY   7           HA2      GLY   7   0.655  -2.064   2.860
   66    HA3  GLY   7           HA3      GLY   7  -0.088  -3.134   1.681
   67    H    LYS   8           H        LYS   8   0.726  -1.877  -0.679
   68    HA   LYS   8           HA       LYS   8   3.199  -3.029  -1.145
   69    HB2  LYS   8           HB2      LYS   8   1.715  -0.828  -2.565
   70    HB3  LYS   8           HB3      LYS   8   3.267  -1.418  -3.147
   71    HG2  LYS   8           HG2      LYS   8   2.137  -3.747  -3.047
   72    HG3  LYS   8           HG3      LYS   8   0.635  -2.824  -3.028
   73    HD2  LYS   8           HD2      LYS   8   1.579  -1.606  -5.076
   74    HD3  LYS   8           HD3      LYS   8   2.754  -2.922  -5.156
   75    HE2  LYS   8           HE2      LYS   8   1.036  -4.541  -5.457
   76    HE3  LYS   8           HE3      LYS   8  -0.224  -3.366  -5.080
   77    HZ1  LYS   8           HZ1      LYS   8   0.658  -2.123  -7.110
   78    HZ2  LYS   8           HZ2      LYS   8   1.424  -3.576  -7.519
   79    HZ3  LYS   8           HZ3      LYS   8  -0.261  -3.518  -7.380
   80    H    ALA   9           H        ALA   9   2.418   0.267  -0.164
   81    HA   ALA   9           HA       ALA   9   5.176   1.122  -0.280
   82    HB1  ALA   9           HB1      ALA   9   3.407   2.707  -0.801
   83    HB2  ALA   9           HB2      ALA   9   2.739   2.516   0.820
   84    HB3  ALA   9           HB3      ALA   9   4.331   3.245   0.604
   85    H    ASP  10           H        ASP  10   2.861   0.119   2.171
   86    HA   ASP  10           HA       ASP  10   4.170   0.894   4.480
   87    HB2  ASP  10           HB2      ASP  10   1.886  -0.250   4.215
   88    HB3  ASP  10           HB3      ASP  10   2.781  -1.767   4.234
   89    H    VAL  11           H        VAL  11   4.410  -2.308   2.921
   90    HA   VAL  11           HA       VAL  11   6.423  -3.357   4.508
   91    HB   VAL  11           HB       VAL  11   5.209  -4.746   2.937
   92   HG11  VAL  11          HG11      VAL  11   6.740  -3.429   0.705
   93   HG12  VAL  11          HG12      VAL  11   5.431  -4.605   0.579
   94   HG13  VAL  11          HG13      VAL  11   5.096  -2.971   1.153
   95   HG21  VAL  11          HG21      VAL  11   7.591  -5.287   3.662
   96   HG22  VAL  11          HG22      VAL  11   6.975  -6.138   2.245
   97   HG23  VAL  11          HG23      VAL  11   8.079  -4.777   2.046
   98    H    ALA  12           H        ALA  12   6.658  -1.246   1.700
   99    HA   ALA  12           HA       ALA  12   9.469  -1.429   1.382
  100    HB1  ALA  12           HB1      ALA  12   9.069  -0.212  -0.435
  101    HB2  ALA  12           HB2      ALA  12   7.365  -0.215   0.018
  102    HB3  ALA  12           HB3      ALA  12   8.409   1.113   0.524
  103    H    LEU  13           H        LEU  13   7.378   0.620   3.321
  104    HA   LEU  13           HA       LEU  13   7.797   2.121   4.976
  105    HB2  LEU  13           HB2      LEU  13   9.277   0.034   5.587
  106    HB3  LEU  13           HB3      LEU  13  10.599   1.140   5.225
  107    HG   LEU  13           HG       LEU  13   8.520   2.082   7.119
  108   HD11  LEU  13          HD11      LEU  13   8.952   0.668   8.803
  109   HD12  LEU  13          HD12      LEU  13   9.456  -0.435   7.522
  110   HD13  LEU  13          HD13      LEU  13  10.658   0.526   8.382
  111   HD21  LEU  13          HD21      LEU  13  10.679   2.879   8.240
  112   HD22  LEU  13          HD22      LEU  13  11.483   2.380   6.751
  113   HD23  LEU  13          HD23      LEU  13  10.230   3.621   6.705
  114    HN1  NH2  14           HN1      NH2  14   7.902   3.391   2.729
  115    HN2  NH2  14           HN2      NH2  14   9.217   4.467   2.561