*HEADER    ANTIBIOTIC                              13-DEC-99   1DLZ              
*TITLE     SOLUTION STRUCTURE OF THE CHANNEL-FORMER ZERVAMICIN IIB               
*TITLE    2 (PEPTAIBOL ANTIBIOTIC)                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZERVAMICIN IIB;                                            
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA                   
*KEYWDS    NMR, ANTIBIOTIC, ZERVAMICIN, CHANNEL-FORMER, PEPTAIBOL,               
*KEYWDS   2 BENT HELIX                                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    T.A.BALASHOVA, Z.O.SHENKAREV, A.A.TAGAEV, T.V.OVCHINNIKOVA,           
*AUTHOR   2 J.RAAP, A.S.ARSENIEV                                                 
*REVDAT   1   03-FEB-00 1DLZ    0                                                

#HEREIN collected all constraints used for spatial stucture calculation
#sequense for ZrvIIB (N-terminal ACE is replaced for GLY for convenience)
 GLY   1
 TRP   2
 ILE   3
 GLN   4
 IVA   5
 ILE   6
 THR   7
 AIB   8
 LEU   9
 AIB  10
 HYP  11
 GLN  12
 AIB  13
 HYP  14
 AIB  15
 PRO  16
 PHE  17
# angle constraints derived from spin-spin coupling constants
   2 TRP   PHI     -70.0   -50.0
   3 ILE   PHI     -90.0   -40.0
   4 GLN   PHI     -90.0   -40.0
   4 GLN   CHI1    -90.0   -30.0
   6 ILE   PHI     -90.0   -40.0
   7 THR   PHI     -90.0   -40.0
   9 LEU   PHI    -100.0   -70.0
   9 LEU   CHI1    -90.0   -30.0
  12 GLN   PHI    -160.0   -80.0
  12 GLN   CHI1    -90.0   -30.0
  17 PHE   PHI    -140.0   -100.0
  17 PHE   CHI1    -90.0   -30.0
# lower constrains for peaks expected, but not apeared in NOESY(tm=200) spectrum 
  3 ILE  HG13    3 ILE  HA      3.00  
  3 ILE  QD1     6 ILE  HB      3.00  
  5 IVA  QG      9 LEU  HG      3.00  
  6 ILE  QG2     7 THR  HG1     3.00  
  6 ILE  HG13    2 TRP  QB      3.00  
  9 LEU  HB3    12 GLN  HB3     3.00  
  9 LEU  QD1    12 GLN  HB3     3.00  
 11 HYP  HB2    11 HYP  HD1     3.00  
 12 GLN  HB3    16 PRO  HD3     3.00  
 14 HYP  HA     17 PHE  HN      3.00  
 14 HYP  HG     11 HYP  HA      3.00  
 15 AIB  QB2    12 GLN  HA      3.00  
 15 AIB  QB2    12 GLN  HB3     3.00  
 15 AIB  QB2    12 GLN  QG      3.00  
 15 AIB  QB2    16 PRO  HD3     3.00  
 16 PRO  QG     12 GLN  HA      3.00  
 16 PRO  HB2    17 PHE  HB2     3.00  
 16 PRO  HD3    12 GLN  HA      3.00  
#hydrogen bond lower constrains
  2 TRP
         O       6 ILE  HN      1.80
         O       6 ILE  N       2.80
         C       6 ILE  HN      2.50
  3 ILE
         O       7 THR  HN      1.80
         O       7 THR  N       2.80
         C       7 THR  HN      2.50
  4 GLN 
         O       8 AIB  HN      1.80
         O       8 AIB  N       2.80
         C       8 AIB  HN      2.50
  6 ILE
         O       9 LEU  HN      1.80
         O       9 LEU  N       2.80   
         C       9 LEU  HN      2.50
  7 THR
         O      10 AIB  HN      1.80
         O      10 AIB  N       2.80
         C      10 AIB  HN      2.50
  9 LEU
         O      12 GLN  HN      1.80
         O      12 GLN  N       2.80    
         C      12 GLN  HN      2.50
 10 AIB
         O      13 AIB  HN      1.80
         O      13 AIB  N       2.80 
         C      13 AIB  HN      2.50
 13 AIB
         O      17 PHE  HN      1.80
         O      17 PHE  N       2.80 
         C      17 PHE  HN      2.50
# hydrogen bond upper constrains
  2 TRP #ok
         O       6 ILE  HN      2.30
         C       6 ILE  HN      3.60
         O       6 ILE  N       3.40
  3 ILE #ok 
         O       7 THR  HN      2.30 
       C       7 THR  HN      3.60
         O       7 THR  N       3.40
  4 GLN #ok  
       O       8 AIB  HN      2.30 
       C       8 AIB  HN      3.60
         O       8 AIB  N       3.40
  6 ILE
         O       9 LEU  HN      2.30
         C       9 LEU  HN      3.60
         O       9 LEU  N       3.40
  7 THR #ok
         O      10 AIB  HN      2.30
         C      10 AIB  HN      3.60
         O      10 AIB  N       3.40
  9 LEU
         O      12 GLN  HN      2.30
         C      12 GLN  HN      3.60
         O      12 GLN  N       3.40
 10 AIB #ok
         O      13 AIB  HN      2.30
         C      13 AIB  HN      3.60
         O      13 AIB  N       3.40
 13 AIB #ok
         O      17 PHE  HN      2.30
         C      17 PHE  HN      3.60
         O      17 PHE  N       3.40
#general upper constraints from NOESY tm=200 spectrum
  1 GLY  
         QA      3 ILE  HN      6.25                
         QA      3 ILE  HA      6.38                
         QA      5 IVA  HN      6.38                
  2 TRP  
         HN      2 TRP  HD1     4.72                
         HN      3 ILE  HN      3.33                
         HA      2 TRP  HE3     5.50                
         HA      3 ILE  HN      3.58                
         HA      5 IVA  HN      4.38                
         HA      5 IVA  QB2     5.66                
         QB      3 ILE  HN      4.86                
         QB      5 IVA  QB2     7.40                
         QB      6 ILE  QD1     7.40                
         HE3     3 ILE  HA      5.50                
         HE3     6 ILE  QD1     6.19                
         HZ3     6 ILE  QD1     6.53                
  3 ILE  
         HN      3 ILE  HB      2.96                
         HN      3 ILE  QG1     5.76                
         HN      4 GLN  HN      3.17                
         HA      4 GLN  HN      3.45                
         HA      5 IVA  HN      5.07                
         HA      6 ILE  HN      3.64                
         HA      6 ILE  HB      3.48                
         HA      6 ILE  QG2     4.42                
         HA      6 ILE  QG1     5.45                
         HA      6 ILE  QD1     5.10                
         HB      4 GLN  HN      3.55                
         QD1     4 GLN  HA      6.53                
         QD1     7 THR  HG1     6.53                
  4 GLN  
         HN      4 GLN  HB2     3.08                
         HN      4 GLN  HB3     3.86                
         HN      5 IVA  HN      2.96                
         HA      4 GLN  HB3     2.99                
         HA      4 GLN  QG      3.71                
         HA      5 IVA  HN      3.55                
         HA      7 THR  HN      3.61                
         HA      7 THR  HB      2.87                
         HA      7 THR  HG1     5.50                
         HA      8 AIB  HN      4.04                
         HB2     5 IVA  HN      3.30                
         HB3     5 IVA  HN      3.89                
         QG      8 AIB  HN      6.00                
  5 IVA  
         HN      6 ILE  HN      3.67                
         QB1     8 AIB  QB1     6.55                
         QB2     6 ILE  HN      4.54                
         QB2     6 ILE  HA      6.53                
  6 ILE  
         HN      6 ILE  HA      2.77                
         HN      6 ILE  HB      2.68                
         HN      6 ILE  HG12    4.29               
         HN      6 ILE  HG13    4.29                
         HA      9 LEU  HN      4.17                
         HA      9 LEU  HB2     3.21                
         HA     10 AIB  HN      4.48                
         HB      9 LEU  HN      5.50                
         QG2     7 THR  HA      6.53                
  7 THR  
         HN      7 THR  HA      2.93                
         HN      7 THR  HB      2.80                
         HN      7 THR  HG1     4.35                
         HN      9 LEU  HN      5.50                
         HA      7 THR  HB      3.02                
         HA      8 AIB  HN      3.55                
         HA      9 LEU  HN      5.50                
         HA     10 AIB  HN      3.67                
         HA     10 AIB  QB1     4.36                
         HA     10 AIB  QB2     5.60                
         HA     11 HYP  HD23    5.00                
         HB      8 AIB  HN      2.83                
         HB      8 AIB  QB2     5.94                
         QG2     8 AIB  HN      6.53                
  8 AIB  
         HN      9 LEU  HN      2.71                
         HN     10 AIB  HN      3.83                
         QB2    11 HYP  HG      6.53                
  9 LEU  
         HN      9 LEU  HA      2.93                
         HN      9 LEU  HB2     2.71                
         HN      9 LEU  HB3     3.55                
         HN      9 LEU  HG      4.04                
         HN     10 AIB  HN      2.71                
         HN     11 HYP  HD22    5.50                
         HA     11 HYP  HD22    4.01                
         HA     12 GLN  HN      4.11                
         HA     12 GLN  HB2     3.92                
         HA     12 GLN  QG      6.38                
         HB2    10 AIB  HN      3.98                
 10 AIB  
         HN     10 AIB  QB1     3.61                
         HN     11 HYP  HD22    4.04                
         HN     11 HYP  HD23    3.24                
         QB1    11 HYP  HG      6.53                
         QB1    11 HYP  HD23    3.52                
         QB1    12 GLN  HN      6.16                
         QB2    11 HYP  HD22    4.82                
         QB2    12 GLN  HN      5.01                
         QB2    13 AIB  HN      5.23                
         QB2    14 HYP  HD22    5.97                
 11 HYP  
         HA     13 AIB  HN      5.10                
         HA     14 HYP  HD23    5.50                
         HB2    12 GLN  HN      3.83                
         HD22   12 GLN  HN      3.27                
         HD23   12 GLN  HN      5.19                
         HD23   13 AIB  HN      5.50                
 12 GLN  
         HN     12 GLN  HA      2.84               
         HN     12 GLN  HB2     2.90                
         HN     12 GLN  QG      5.32                
         HN     13 AIB  HN      2.68                
         HA     13 AIB  HN      3.61                
         HA     14 HYP  HD22    4.17                
         HA     15 AIB  HN      4.01                
         HA     15 AIB  QB1     5.54                
         HB2    13 AIB  HN      4.11                
         QG     13 AIB  HN      6.38                
         QG     15 AIB  HN      6.38                
 13 AIB  
         HN     13 AIB  QB1     3.68                
         HN     14 HYP  HD22    3.76                
         HN     14 HYP  HD23    2.96                
         HN     15 AIB  HN      4.79                
         QB1    14 HYP  HG      6.53                
         QB1    14 HYP  HD23    3.58                
         QB2    16 PRO  HD3     6.03                
 14 HYP  
         HB2    15 AIB  HN      4.07                
#         HG     16 PRO  HD3     5.50                
         HD22   15 AIB  HN      3.61                
         HD22   15 AIB  QB2     6.53                
         HD23   15 AIB  HN      4.82                
 15 AIB  
         HN     16 PRO  HD2     3.80                
         HN     16 PRO  HD3     3.70                
         HN     17 PHE  HN      4.91                
         QB1    16 PRO  HD3     4.02                
 16 PRO  
         HD2    17 PHE  HN      3.61                
         HD2    17 PHE  HB2     5.50                
         HD3    17 PHE  HN      5.50                
 17 PHE  
         HN     17 PHE  HB2     3.45                


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    TRP   2           H        TRP   2  -2.817  11.492  -0.115
    2    HA   TRP   2           HA       TRP   2  -3.716   8.765   0.522
    3   1HB   TRP   2          1HB       TRP   2  -4.393  10.528  -1.901
    4   2HB   TRP   2          2HB       TRP   2  -5.082   8.943  -1.632
    5    HD1  TRP   2           HD1      TRP   2  -5.824  12.516  -0.851
    6    HE1  TRP   2           HE1      TRP   2  -7.759  12.820   0.919
    7    HE3  TRP   2           HE3      TRP   2  -5.894   7.672   0.758
    8    HZ2  TRP   2           HZ2      TRP   2  -8.993  11.039   2.789
    9    HZ3  TRP   2           HZ3      TRP   2  -7.450   7.034   2.567
   10    HH2  TRP   2           HH2      TRP   2  -8.972   8.692   3.573
   11    H    ILE   3           H        ILE   3  -1.296  10.021  -1.693
   12    HA   ILE   3           HA       ILE   3  -0.905   7.467  -3.126
   13    HB   ILE   3           HB       ILE   3   0.983   9.865  -2.974
   14   1HG1  ILE   3          1HG1      ILE   3  -0.857   8.984  -5.301
   15   2HG1  ILE   3          2HG1      ILE   3  -1.269  10.251  -4.162
   16   1HG2  ILE   3          1HG2      ILE   3   1.195   7.403  -4.841
   17   2HG2  ILE   3          2HG2      ILE   3   2.212   8.861  -4.942
   18   3HG2  ILE   3          3HG2      ILE   3   2.319   7.819  -3.526
   19   1HD1  ILE   3          1HD1      ILE   3   1.058  10.401  -6.162
   20   2HD1  ILE   3          2HD1      ILE   3  -0.456  11.321  -6.169
   21   3HD1  ILE   3          3HD1      ILE   3   0.745  11.611  -4.888
   22    H    GLN   4           H        GLN   4   0.607   8.855  -0.279
   23    HA   GLN   4           HA       GLN   4   2.256   6.408   0.195
   24   1HB   GLN   4          1HB       GLN   4   1.831   8.934   1.839
   25   2HB   GLN   4          2HB       GLN   4   2.562   7.541   2.601
   26   1HG   GLN   4          1HG       GLN   4   3.692   8.681  -0.024
   27   2HG   GLN   4          2HG       GLN   4   4.142   9.289   1.565
   28   1HE2  GLN   4          2HE2      GLN   4   6.306   8.687   0.923
   29   2HE2  GLN   4          1HE2      GLN   4   6.864   6.957   1.172
   30   1HN   DIV   5           H        DIV   5  -0.986   7.328   1.205
   31   1HB1  DIV   5          1HB1      DIV   5  -0.612   4.636   3.816
   32   2HB1  DIV   5          2HB1      DIV   5  -1.418   6.139   4.193
   33   1HG1  DIV   5          1HG1      DIV   5  -2.951   3.470   3.900
   34   2HG1  DIV   5          2HG1      DIV   5  -2.339   4.133   5.433
   35   3HG1  DIV   5          3HG1      DIV   5  -3.583   5.010   4.525
   36   1HB2  DIV   5          1HB2      DIV   5  -3.340   6.421   0.882
   37   2HB2  DIV   5          2HB2      DIV   5  -3.971   5.512   2.240
   38   3HB2  DIV   5          3HB2      DIV   5  -3.213   7.090   2.519
   39    H    ILE   6           H        ILE   6  -2.039   5.163  -0.506
   40    HA   ILE   6           HA       ILE   6  -2.209   2.292  -0.563
   41    HB   ILE   6           HB       ILE   6  -2.128   2.331  -3.006
   42   1HG1  ILE   6          1HG1      ILE   6  -2.033   5.405  -2.889
   43   2HG1  ILE   6          2HG1      ILE   6  -0.638   4.413  -3.267
   44   1HG2  ILE   6          1HG2      ILE   6  -4.185   4.297  -1.828
   45   2HG2  ILE   6          2HG2      ILE   6  -4.363   3.324  -3.306
   46   3HG2  ILE   6          3HG2      ILE   6  -4.272   2.521  -1.732
   47   1HD1  ILE   6          1HD1      ILE   6  -3.205   4.519  -4.960
   48   2HD1  ILE   6          2HD1      ILE   6  -1.619   5.220  -5.351
   49   3HD1  ILE   6          3HD1      ILE   6  -1.808   3.452  -5.282
   50    H    THR   7           H        THR   7   0.670   4.283  -1.359
   51    HA   THR   7           HA       THR   7   2.281   2.032  -2.234
   52    HB   THR   7           HB       THR   7   3.284   4.704  -1.107
   53    HG1  THR   7           HG1      THR   7   3.314   5.253  -3.275
   54   1HG2  THR   7          1HG2      THR   7   5.283   4.330  -2.592
   55   2HG2  THR   7          2HG2      THR   7   5.206   3.096  -1.316
   56   3HG2  THR   7          3HG2      THR   7   4.705   2.692  -2.980
   57   1HN   AIB   8           H        AIB   8   1.914   3.301   1.030
   58   1HB1  AIB   8          1HB1      AIB   8   1.047   2.851   3.344
   59   2HB1  AIB   8          2HB1      AIB   8   2.200   2.141   4.484
   60   3HB1  AIB   8          3HB1      AIB   8   2.649   3.587   3.563
   61   1HB2  AIB   8          1HB2      AIB   8   4.762   2.461   2.661
   62   2HB2  AIB   8          2HB2      AIB   8   4.354   1.068   3.684
   63   3HB2  AIB   8          3HB2      AIB   8   4.689   0.831   1.963
   64    H    LEU   9           H        LEU   9   0.361   1.138   1.260
   65    HA   LEU   9           HA       LEU   9   0.081  -1.608   2.391
   66   1HB   LEU   9          1HB       LEU   9  -1.833   0.321   1.010
   67   2HB   LEU   9          2HB       LEU   9  -2.062  -1.361   0.743
   68    HG   LEU   9           HG       LEU   9  -1.747  -1.343   3.561
   69   1HD1  LEU   9          1HD1      LEU   9  -3.500   1.068   2.773
   70   2HD1  LEU   9          2HD1      LEU   9  -3.349   0.357   4.399
   71   3HD1  LEU   9          3HD1      LEU   9  -1.947   1.143   3.646
   72   1HD2  LEU   9          1HD2      LEU   9  -3.330  -2.773   2.300
   73   2HD2  LEU   9          2HD2      LEU   9  -4.151  -1.927   3.623
   74   3HD2  LEU   9          3HD2      LEU   9  -4.364  -1.369   1.942
   75   1HN   AIB  10           H        AIB  10   1.510  -0.282  -0.467
   76   1HB1  AIB  10          1HB1      AIB  10   3.567  -0.846  -2.058
   77   2HB1  AIB  10          2HB1      AIB  10   3.081  -1.677  -3.536
   78   3HB1  AIB  10          3HB1      AIB  10   2.231  -0.206  -3.015
   79   1HB2  AIB  10          1HB2      AIB  10  -0.006  -1.196  -3.040
   80   2HB2  AIB  10          2HB2      AIB  10   0.741  -2.646  -3.766
   81   3HB2  AIB  10          3HB2      AIB  10  -0.328  -2.806  -2.360
   82    HA   HYP  11           HA       HYP  11   4.037  -5.602  -0.945
   83   1HB   HYP  11          1HB       HYP  11   5.334  -5.360   1.449
   84   2HB   HYP  11          2HB       HYP  11   5.930  -4.581  -0.030
   85   1HD   HYP  11          1HD       HYP  11   3.111  -2.008   0.803
   86   2HD   HYP  11          2HD       HYP  11   4.430  -1.780  -0.351
   87    HOD  HYP  11           HOD      HYP  11   6.565  -3.054   2.080
   88    HG   HYP  11           HG       HYP  11   4.300  -3.331   2.246
   89    H    GLN  12           H        GLN  12   1.723  -4.064   1.195
   90    HA   GLN  12           HA       GLN  12   0.952  -6.566   2.508
   91   1HB   GLN  12          1HB       GLN  12  -0.337  -3.804   2.743
   92   2HB   GLN  12          2HB       GLN  12  -0.769  -5.214   3.689
   93   1HG   GLN  12          1HG       GLN  12   1.511  -5.315   4.720
   94   2HG   GLN  12          2HG       GLN  12   2.006  -3.894   3.810
   95   1HE2  GLN  12          2HE2      GLN  12   0.881  -4.803   6.769
   96   2HE2  GLN  12          1HE2      GLN  12   0.169  -3.195   7.294
   97   1HN   AIB  13           H        AIB  13   0.284  -5.442  -0.608
   98   1HB1  AIB  13          1HB1      AIB  13  -0.281  -5.706  -2.926
   99   2HB1  AIB  13          2HB1      AIB  13  -1.897  -6.222  -3.423
  100   3HB1  AIB  13          3HB1      AIB  13  -1.665  -4.692  -2.554
  101   1HB2  AIB  13          1HB2      AIB  13  -3.249  -5.128  -0.765
  102   2HB2  AIB  13          2HB2      AIB  13  -3.719  -6.553  -1.718
  103   3HB2  AIB  13          3HB2      AIB  13  -3.386  -6.723   0.000
  104    HA   HYP  14           HA       HYP  14  -0.464 -10.431  -2.660
  105   1HB   HYP  14          1HB       HYP  14   2.222 -11.016  -2.286
  106   2HB   HYP  14          2HB       HYP  14   1.595 -10.016  -3.606
  107   1HD   HYP  14          1HD       HYP  14   1.424  -7.082  -1.116
  108   2HD   HYP  14          2HD       HYP  14   1.171  -7.246  -2.855
  109    HOD  HYP  14           HOD      HYP  14   3.076  -8.130  -3.548
  110    HG   HYP  14           HG       HYP  14   2.654  -9.050  -0.877
  111   1HN   AIB  15           H        AIB  15   1.080  -9.662   0.517
  112   1HB1  AIB  15          1HB1      AIB  15   0.684  -9.459   2.993
  113   2HB1  AIB  15          2HB1      AIB  15   1.064 -10.910   3.934
  114   3HB1  AIB  15          3HB1      AIB  15   2.230 -10.252   2.775
  115   1HB2  AIB  15          1HB2      AIB  15   2.556 -12.280   1.455
  116   2HB2  AIB  15          2HB2      AIB  15   1.602 -13.118   2.699
  117   3HB2  AIB  15          3HB2      AIB  15   1.197 -13.322   0.986
  118    HA   PRO  16           HA       PRO  16  -3.530 -12.266   3.013
  119   1HB   PRO  16          1HB       PRO  16  -5.269 -10.227   2.373
  120   2HB   PRO  16          2HB       PRO  16  -4.229 -10.213   3.810
  121   1HG   PRO  16          1HG       PRO  16  -3.775  -8.796   1.151
  122   2HG   PRO  16          2HG       PRO  16  -3.552  -8.149   2.790
  123   1HD   PRO  16          1HD       PRO  16  -1.493  -9.182   1.178
  124   2HD   PRO  16          2HD       PRO  16  -1.380  -9.106   2.941
  125    H1   PHL  17           H1       PHL  17  -2.458 -11.731  -2.666
  126    H2   PHL  17           H2       PHL  17  -3.662 -12.750  -3.461
  127    HO   PHL  17           HO       PHL  17  -3.393 -14.275  -1.794
  128    HA   PHL  17           HA       PHL  17  -5.110 -12.690  -1.417
  129   1HN   PHL  17           H        PHL  17  -3.212 -10.583  -0.209
  130   1HB   PHL  17          1HB       PHL  17  -4.388  -9.879  -2.469
  131   2HB   PHL  17          2HB       PHL  17  -5.386 -11.036  -3.305
  132    HD1  PHL  17           HD1      PHL  17  -7.616 -11.822  -2.237
  133    HD2  PHL  17           HD2      PHL  17  -5.401  -8.455  -0.730
  134    HE1  PHL  17           HE1      PHL  17  -9.608 -11.044  -1.022
  135    HE2  PHL  17           HE2      PHL  17  -7.404  -7.692   0.478
  136    HZ   PHL  17           HZ       PHL  17  -9.507  -8.984   0.341
  137   1H    ACE   1           H1       ACE   1  -1.434  12.588   1.570
  138   2H    ACE   1           H2       ACE   1  -0.180  11.521   2.274
  139   3H    ACE   1           H3       ACE   1  -0.229  11.784   0.516
  Start of MODEL    2
    1    H    TRP   2           H        TRP   2  -3.233  11.529  -0.358
    2    HA   TRP   2           HA       TRP   2  -3.585   8.809   0.682
    3   1HB   TRP   2          1HB       TRP   2  -4.809  10.057  -1.848
    4   2HB   TRP   2          2HB       TRP   2  -5.264   8.508  -1.179
    5    HD1  TRP   2           HD1      TRP   2  -6.301   8.560   1.506
    6    HE1  TRP   2           HE1      TRP   2  -7.890  10.294   2.703
    7    HE3  TRP   2           HE3      TRP   2  -5.526  12.401  -1.766
    8    HZ2  TRP   2           HZ2      TRP   2  -8.587  13.016   2.148
    9    HZ3  TRP   2           HZ3      TRP   2  -6.662  14.559  -1.368
   10    HH2  TRP   2           HH2      TRP   2  -8.165  14.864   0.558
   11    H    ILE   3           H        ILE   3  -1.452   9.983  -1.795
   12    HA   ILE   3           HA       ILE   3  -1.058   7.427  -3.167
   13    HB   ILE   3           HB       ILE   3   0.826   9.823  -3.017
   14   1HG1  ILE   3          1HG1      ILE   3  -0.979   8.863  -5.338
   15   2HG1  ILE   3          2HG1      ILE   3  -1.387  10.169  -4.246
   16   1HG2  ILE   3          1HG2      ILE   3   1.138   7.331  -4.829
   17   2HG2  ILE   3          2HG2      ILE   3   2.121   8.811  -4.939
   18   3HG2  ILE   3          3HG2      ILE   3   2.224   7.804  -3.503
   19   1HD1  ILE   3          1HD1      ILE   3   0.928  10.226  -6.263
   20   2HD1  ILE   3          2HD1      ILE   3  -0.570  11.172  -6.285
   21   3HD1  ILE   3          3HD1      ILE   3   0.653  11.484  -5.028
   22    H    GLN   4           H        GLN   4   0.475   8.755  -0.296
   23    HA   GLN   4           HA       GLN   4   2.159   6.313   0.050
   24   1HB   GLN   4          1HB       GLN   4   1.858   8.691   1.946
   25   2HB   GLN   4          2HB       GLN   4   2.816   7.272   2.327
   26   1HG   GLN   4          1HG       GLN   4   3.301   9.145  -0.051
   27   2HG   GLN   4          2HG       GLN   4   4.213   9.099   1.451
   28   1HE2  GLN   4          2HE2      GLN   4   4.483   8.219  -1.673
   29   2HE2  GLN   4          1HE2      GLN   4   5.610   6.786  -1.474
   30   1HB1  DIV   5          1HB1      DIV   5  -0.494   4.491   3.829
   31   2HB1  DIV   5          2HB1      DIV   5  -1.371   5.933   4.281
   32   1HG1  DIV   5          1HG1      DIV   5  -2.752   3.191   3.896
   33   2HG1  DIV   5          2HG1      DIV   5  -2.193   3.852   5.448
   34   3HG1  DIV   5          3HG1      DIV   5  -3.488   4.671   4.554
   35   1HB2  DIV   5          1HB2      DIV   5  -3.296   6.348   1.012
   36   2HB2  DIV   5          2HB2      DIV   5  -3.914   5.363   2.329
   37   3HB2  DIV   5          3HB2      DIV   5  -3.159   6.930   2.683
   38    H    DIV   5           H        DIV   5  -0.972   7.274   1.414
   39    H    ILE   6           H        ILE   6  -1.955   5.173  -0.433
   40    HA   ILE   6           HA       ILE   6  -2.164   2.335  -0.774
   41    HB   ILE   6           HB       ILE   6  -1.439   4.438  -2.860
   42   1HG1  ILE   6          1HG1      ILE   6  -3.651   4.944  -1.981
   43   2HG1  ILE   6          2HG1      ILE   6  -3.761   4.389  -3.628
   44   1HG2  ILE   6          1HG2      ILE   6  -2.304   1.526  -3.375
   45   2HG2  ILE   6          2HG2      ILE   6  -2.199   2.797  -4.622
   46   3HG2  ILE   6          3HG2      ILE   6  -0.741   2.265  -3.783
   47   1HD1  ILE   6          1HD1      ILE   6  -4.490   2.701  -1.135
   48   2HD1  ILE   6          2HD1      ILE   6  -5.621   3.481  -2.261
   49   3HD1  ILE   6          3HD1      ILE   6  -4.608   2.128  -2.820
   50    H    THR   7           H        THR   7   0.819   4.331  -1.345
   51    HA   THR   7           HA       THR   7   2.417   2.101  -2.227
   52    HB   THR   7           HB       THR   7   3.464   4.689  -0.962
   53    HG1  THR   7           HG1      THR   7   3.519   5.366  -3.096
   54   1HG2  THR   7          1HG2      THR   7   5.462   4.362  -2.443
   55   2HG2  THR   7          2HG2      THR   7   5.343   3.042  -1.261
   56   3HG2  THR   7          3HG2      THR   7   4.850   2.771  -2.954
   57   1HB1  AIB   8          1HB1      AIB   8   1.245   2.851   3.408
   58   2HB1  AIB   8          2HB1      AIB   8   2.426   2.133   4.512
   59   3HB1  AIB   8          3HB1      AIB   8   2.859   3.570   3.568
   60   1HB2  AIB   8          1HB2      AIB   8   4.939   2.357   2.636
   61   2HB2  AIB   8          2HB2      AIB   8   4.505   0.965   3.650
   62   3HB2  AIB   8          3HB2      AIB   8   4.788   0.739   1.918
   63    H    AIB   8           H        AIB   8   2.099   3.314   1.066
   64    H    LEU   9           H        LEU   9   0.492   1.175   1.304
   65    HA   LEU   9           HA       LEU   9   0.075  -1.521   2.506
   66   1HB   LEU   9          1HB       LEU   9  -1.655   0.336   0.784
   67   2HB   LEU   9          2HB       LEU   9  -2.094  -1.317   1.035
   68    HG   LEU   9           HG       LEU   9  -1.754   0.681   3.343
   69   1HD1  LEU   9          1HD1      LEU   9  -4.332  -0.332   1.968
   70   2HD1  LEU   9          2HD1      LEU   9  -4.254   0.737   3.392
   71   3HD1  LEU   9          3HD1      LEU   9  -3.653   1.308   1.825
   72   1HD2  LEU   9          1HD2      LEU   9  -1.467  -1.649   4.189
   73   2HD2  LEU   9          2HD2      LEU   9  -3.049  -1.038   4.691
   74   3HD2  LEU   9          3HD2      LEU   9  -2.935  -2.183   3.333
   75   1HB1  AIB  10          1HB1      AIB  10   3.562  -0.892  -2.053
   76   2HB1  AIB  10          2HB1      AIB  10   2.987  -1.675  -3.523
   77   3HB1  AIB  10          3HB1      AIB  10   2.205  -0.191  -2.941
   78   1HB2  AIB  10          1HB2      AIB  10  -0.050  -1.172  -2.957
   79   2HB2  AIB  10          2HB2      AIB  10   0.667  -2.633  -3.684
   80   3HB2  AIB  10          3HB2      AIB  10  -0.379  -2.773  -2.258
   81    H    AIB  10           H        AIB  10   1.520  -0.264  -0.414
   82    HA   HYP  11           HA       HYP  11   4.025  -5.585  -0.917
   83   1HB   HYP  11          1HB       HYP  11   5.292  -5.377   1.508
   84   2HB   HYP  11          2HB       HYP  11   5.907  -4.592   0.038
   85   1HD   HYP  11          1HD       HYP  11   3.109  -1.989   0.847
   86   2HD   HYP  11          2HD       HYP  11   4.430  -1.802  -0.307
   87    HOD  HYP  11           HOD      HYP  11   6.550  -3.108   2.103
   88    HG   HYP  11           HG       HYP  11   4.253  -3.350   2.294
   89    H    GLN  12           H        GLN  12   1.679  -4.113   1.237
   90    HA   GLN  12           HA       GLN  12   0.867  -6.695   2.390
   91   1HB   GLN  12          1HB       GLN  12  -0.080  -3.839   2.919
   92   2HB   GLN  12          2HB       GLN  12  -0.875  -5.233   3.616
   93   1HG   GLN  12          1HG       GLN  12   1.118  -5.928   4.862
   94   2HG   GLN  12          2HG       GLN  12   2.106  -4.694   4.096
   95   1HE2  GLN  12          2HE2      GLN  12   2.567  -3.299   5.723
   96   2HE2  GLN  12          1HE2      GLN  12   1.338  -2.552   6.862
   97   1HB1  AIB  13          1HB1      AIB  13  -0.228  -5.713  -2.978
   98   2HB1  AIB  13          2HB1      AIB  13  -1.841  -6.203  -3.501
   99   3HB1  AIB  13          3HB1      AIB  13  -1.600  -4.676  -2.634
  100   1HB2  AIB  13          1HB2      AIB  13  -3.240  -5.094  -0.883
  101   2HB2  AIB  13          2HB2      AIB  13  -3.691  -6.504  -1.869
  102   3HB2  AIB  13          3HB2      AIB  13  -3.422  -6.698  -0.143
  103    H    AIB  13           H        AIB  13   0.309  -5.476  -0.629
  104    HA   HYP  14           HA       HYP  14  -0.431 -10.421  -2.718
  105   1HB   HYP  14          1HB       HYP  14   2.234 -11.020  -2.269
  106   2HB   HYP  14          2HB       HYP  14   1.642 -10.028  -3.614
  107   1HD   HYP  14          1HD       HYP  14   1.425  -7.076  -1.141
  108   2HD   HYP  14          2HD       HYP  14   1.213  -7.253  -2.886
  109    HOD  HYP  14           HOD      HYP  14   3.115  -8.118  -3.531
  110    HG   HYP  14           HG       HYP  14   2.659  -9.049  -0.874
  111   1HB1  AIB  15          1HB1      AIB  15   0.707  -9.425   2.934
  112   2HB1  AIB  15          2HB1      AIB  15   1.060 -10.872   3.892
  113   3HB1  AIB  15          3HB1      AIB  15   2.237 -10.251   2.723
  114   1HB2  AIB  15          1HB2      AIB  15   2.509 -12.316   1.429
  115   2HB2  AIB  15          2HB2      AIB  15   1.536 -13.108   2.685
  116   3HB2  AIB  15          3HB2      AIB  15   1.121 -13.325   0.976
  117    H    AIB  15           H        AIB  15   1.136  -9.691   0.450
  118    HA   PRO  16           HA       PRO  16  -3.538 -12.108   3.041
  119   1HB   PRO  16          1HB       PRO  16  -5.247 -10.043   2.409
  120   2HB   PRO  16          2HB       PRO  16  -4.163 -10.022   3.812
  121   1HG   PRO  16          1HG       PRO  16  -3.723  -8.715   1.086
  122   2HG   PRO  16          2HG       PRO  16  -3.498  -7.995   2.697
  123   1HD   PRO  16          1HD       PRO  16  -1.418  -9.076   1.178
  124   2HD   PRO  16          2HD       PRO  16  -1.362  -9.033   2.947
  125    H1   PHL  17           H1       PHL  17  -4.101 -12.646  -3.465
  126    H2   PHL  17           H2       PHL  17  -2.831 -12.915  -2.279
  127    HO   PHL  17           HO       PHL  17  -2.390 -10.663  -2.375
  128    HA   PHL  17           HA       PHL  17  -5.129 -12.753  -1.322
  129   1HB   PHL  17          1HB       PHL  17  -5.073  -9.792  -2.171
  130   2HB   PHL  17          2HB       PHL  17  -6.054 -11.037  -2.901
  131    HD1  PHL  17           HD1      PHL  17  -7.718 -12.372  -1.265
  132    HD2  PHL  17           HD2      PHL  17  -6.023  -8.525  -0.337
  133    HE1  PHL  17           HE1      PHL  17  -9.484 -11.985   0.402
  134    HE2  PHL  17           HE2      PHL  17  -7.802  -8.153   1.319
  135    HZ   PHL  17           HZ       PHL  17  -9.539  -9.874   1.688
  136    H    PHL  17           H        PHL  17  -3.202 -10.592  -0.276
  137    H1   ACE   1           H1       ACE   1  -0.755  12.373  -0.249
  138    H2   ACE   1           H2       ACE   1  -1.845  12.994   1.027
  139    H3   ACE   1           H3       ACE   1  -0.272  12.251   1.459
  Start of MODEL    3
    1    H    TRP   2           H        TRP   2  -3.275  11.566  -0.538
    2    HA   TRP   2           HA       TRP   2  -3.673   8.898   0.594
    3   1HB   TRP   2          1HB       TRP   2  -5.392   8.500  -0.927
    4   2HB   TRP   2          2HB       TRP   2  -5.543  10.154  -0.430
    5    HD1  TRP   2           HD1      TRP   2  -5.027   7.940  -3.523
    6    HE1  TRP   2           HE1      TRP   2  -5.155   9.301  -5.778
    7    HE3  TRP   2           HE3      TRP   2  -4.973  12.582  -1.395
    8    HZ2  TRP   2           HZ2      TRP   2  -5.204  12.098  -6.374
    9    HZ3  TRP   2           HZ3      TRP   2  -5.054  14.569  -2.865
   10    HH2  TRP   2           HH2      TRP   2  -5.165  14.331  -5.312
   11    H    ILE   3           H        ILE   3  -1.393   9.983  -1.803
   12    HA   ILE   3           HA       ILE   3  -0.998   7.372  -3.003
   13    HB   ILE   3           HB       ILE   3  -0.387   9.394  -4.218
   14   1HG1  ILE   3          1HG1      ILE   3   1.672   8.651  -5.325
   15   2HG1  ILE   3          2HG1      ILE   3   2.065   7.553  -4.014
   16   1HG2  ILE   3          1HG2      ILE   3   2.119   9.650  -2.436
   17   2HG2  ILE   3          2HG2      ILE   3   1.716  10.631  -3.867
   18   3HG2  ILE   3          3HG2      ILE   3   0.715  10.744  -2.407
   19   1HD1  ILE   3          1HD1      ILE   3  -0.440   7.285  -5.820
   20   2HD1  ILE   3          2HD1      ILE   3   1.084   6.387  -6.023
   21   3HD1  ILE   3          3HD1      ILE   3   0.086   6.114  -4.580
   22    H    GLN   4           H        GLN   4   0.371   8.682  -0.077
   23    HA   GLN   4           HA       GLN   4   2.216   6.340   0.231
   24   1HB   GLN   4          1HB       GLN   4   1.654   8.566   2.252
   25   2HB   GLN   4          2HB       GLN   4   2.727   7.207   2.549
   26   1HG   GLN   4          1HG       GLN   4   3.090   9.294   0.345
   27   2HG   GLN   4          2HG       GLN   4   3.958   9.233   1.879
   28   1HE2  GLN   4          2HE2      GLN   4   5.061   9.260  -0.775
   29   2HE2  GLN   4          1HE2      GLN   4   6.057   7.727  -0.937
   30   1HB1  DIV   5          1HB1      DIV   5  -0.531   4.351   3.846
   31   2HB1  DIV   5          2HB1      DIV   5  -1.397   5.785   4.334
   32   1HG1  DIV   5          1HG1      DIV   5  -2.801   3.067   3.901
   33   2HG1  DIV   5          2HG1      DIV   5  -2.207   3.680   5.455
   34   3HG1  DIV   5          3HG1      DIV   5  -3.507   4.538   4.610
   35   1HB2  DIV   5          1HB2      DIV   5  -3.316   6.302   1.075
   36   2HB2  DIV   5          2HB2      DIV   5  -3.948   5.294   2.371
   37   3HB2  DIV   5          3HB2      DIV   5  -3.174   6.841   2.759
   38    H    DIV   5           H        DIV   5  -0.990   7.198   1.514
   39    H    ILE   6           H        ILE   6  -1.974   5.154  -0.388
   40    HA   ILE   6           HA       ILE   6  -2.194   2.330  -0.824
   41    HB   ILE   6           HB       ILE   6  -1.463   4.486  -2.855
   42   1HG1  ILE   6          1HG1      ILE   6  -3.648   5.026  -1.959
   43   2HG1  ILE   6          2HG1      ILE   6  -3.803   4.474  -3.603
   44   1HG2  ILE   6          1HG2      ILE   6  -2.386   1.601  -3.429
   45   2HG2  ILE   6          2HG2      ILE   6  -2.264   2.900  -4.645
   46   3HG2  ILE   6          3HG2      ILE   6  -0.813   2.323  -3.827
   47   1HD1  ILE   6          1HD1      ILE   6  -4.539   2.834  -1.079
   48   2HD1  ILE   6          2HD1      ILE   6  -5.660   3.599  -2.227
   49   3HD1  ILE   6          3HD1      ILE   6  -4.669   2.217  -2.746
   50    H    THR   7           H        THR   7   0.798   4.331  -1.402
   51    HA   THR   7           HA       THR   7   2.359   2.055  -2.287
   52    HB   THR   7           HB       THR   7   3.407   4.713  -1.183
   53    HG1  THR   7           HG1      THR   7   3.502   5.168  -3.408
   54   1HG2  THR   7          1HG2      THR   7   5.411   4.302  -2.645
   55   2HG2  THR   7          2HG2      THR   7   5.317   3.088  -1.351
   56   3HG2  THR   7          3HG2      THR   7   4.827   2.660  -3.013
   57   1HB1  AIB   8          1HB1      AIB   8   1.310   2.858   3.396
   58   2HB1  AIB   8          2HB1      AIB   8   2.541   2.150   4.448
   59   3HB1  AIB   8          3HB1      AIB   8   2.925   3.588   3.488
   60   1HB2  AIB   8          1HB2      AIB   8   4.978   2.358   2.527
   61   2HB2  AIB   8          2HB2      AIB   8   4.549   0.963   3.540
   62   3HB2  AIB   8          3HB2      AIB   8   4.805   0.747   1.804
   63    H    AIB   8           H        AIB   8   2.132   3.352   0.994
   64    H    LEU   9           H        LEU   9   0.493   1.206   1.237
   65    HA   LEU   9           HA       LEU   9   0.063  -1.476   2.455
   66   1HB   LEU   9          1HB       LEU   9  -1.635   0.381   0.707
   67   2HB   LEU   9          2HB       LEU   9  -2.067  -1.282   0.872
   68    HG   LEU   9           HG       LEU   9  -1.873   0.645   3.250
   69   1HD1  LEU   9          1HD1      LEU   9  -4.354  -0.451   1.758
   70   2HD1  LEU   9          2HD1      LEU   9  -4.374   0.618   3.184
   71   3HD1  LEU   9          3HD1      LEU   9  -3.736   1.213   1.639
   72   1HD2  LEU   9          1HD2      LEU   9  -1.543  -1.692   4.062
   73   2HD2  LEU   9          2HD2      LEU   9  -3.171  -1.149   4.498
   74   3HD2  LEU   9          3HD2      LEU   9  -2.948  -2.258   3.124
   75   1HB1  AIB  10          1HB1      AIB  10   3.598  -0.917  -2.097
   76   2HB1  AIB  10          2HB1      AIB  10   3.010  -1.700  -3.565
   77   3HB1  AIB  10          3HB1      AIB  10   2.251  -0.199  -2.989
   78   1HB2  AIB  10          1HB2      AIB  10  -0.022  -1.145  -2.992
   79   2HB2  AIB  10          2HB2      AIB  10   0.683  -2.607  -3.726
   80   3HB2  AIB  10          3HB2      AIB  10  -0.366  -2.747  -2.303
   81    H    AIB  10           H        AIB  10   1.528  -0.235  -0.476
   82    HA   HYP  11           HA       HYP  11   4.003  -5.611  -0.960
   83   1HB   HYP  11          1HB       HYP  11   5.304  -5.399   1.447
   84   2HB   HYP  11          2HB       HYP  11   5.904  -4.621  -0.035
   85   1HD   HYP  11          1HD       HYP  11   3.110  -2.028   0.823
   86   2HD   HYP  11          2HD       HYP  11   4.418  -1.793  -0.333
   87    HOD  HYP  11           HOD      HYP  11   6.603  -3.157   1.978
   88    HG   HYP  11           HG       HYP  11   4.302  -3.365   2.251
   89    H    GLN  12           H        GLN  12   1.701  -4.094   1.193
   90    HA   GLN  12           HA       GLN  12   0.872  -6.620   2.435
   91   1HB   GLN  12          1HB       GLN  12  -0.065  -3.742   2.772
   92   2HB   GLN  12          2HB       GLN  12  -0.936  -5.046   3.514
   93   1HG   GLN  12          1HG       GLN  12   2.079  -4.869   4.007
   94   2HG   GLN  12          2HG       GLN  12   1.025  -3.712   4.790
   95   1HE2  GLN  12          2HE2      GLN  12   2.604  -6.349   5.489
   96   2HE2  GLN  12          1HE2      GLN  12   1.480  -7.095   6.738
   97   1HB1  AIB  13          1HB1      AIB  13  -0.272  -5.683  -2.975
   98   2HB1  AIB  13          2HB1      AIB  13  -1.892  -6.171  -3.485
   99   3HB1  AIB  13          3HB1      AIB  13  -1.639  -4.652  -2.605
  100   1HB2  AIB  13          1HB2      AIB  13  -3.249  -5.083  -0.833
  101   2HB2  AIB  13          2HB2      AIB  13  -3.722  -6.489  -1.819
  102   3HB2  AIB  13          3HB2      AIB  13  -3.417  -6.691  -0.096
  103    H    AIB  13           H        AIB  13   0.264  -5.428  -0.643
  104    HA   HYP  14           HA       HYP  14  -0.480 -10.433  -2.622
  105   1HB   HYP  14          1HB       HYP  14   2.200 -11.002  -2.282
  106   2HB   HYP  14          2HB       HYP  14   1.564 -10.014  -3.605
  107   1HD   HYP  14          1HD       HYP  14   1.412  -7.057  -1.143
  108   2HD   HYP  14          2HD       HYP  14   1.173  -7.225  -2.881
  109    HOD  HYP  14           HOD      HYP  14   3.060  -8.198  -3.605
  110    HG   HYP  14           HG       HYP  14   2.652  -9.023  -0.896
  111   1HB1  AIB  15          1HB1      AIB  15   0.614  -9.389   3.106
  112   2HB1  AIB  15          2HB1      AIB  15   1.032 -10.857   3.997
  113   3HB1  AIB  15          3HB1      AIB  15   2.179 -10.136   2.856
  114   1HB2  AIB  15          1HB2      AIB  15   2.534 -12.154   1.484
  115   2HB2  AIB  15          2HB2      AIB  15   1.605 -13.007   2.739
  116   3HB2  AIB  15          3HB2      AIB  15   1.184 -13.212   1.032
  117    H    AIB  15           H        AIB  15   0.900  -9.488   0.622
  118    HA   PRO  16           HA       PRO  16  -3.558 -12.216   3.011
  119   1HB   PRO  16          1HB       PRO  16  -5.314 -10.200   2.355
  120   2HB   PRO  16          2HB       PRO  16  -4.280 -10.159   3.794
  121   1HG   PRO  16          1HG       PRO  16  -3.844  -8.749   1.133
  122   2HG   PRO  16          2HG       PRO  16  -3.612  -8.099   2.772
  123   1HD   PRO  16          1HD       PRO  16  -1.573  -9.138   1.129
  124   2HD   PRO  16          2HD       PRO  16  -1.421  -9.013   2.884
  125    H1   PHL  17           H1       PHL  17  -2.728 -13.282  -1.881
  126    H2   PHL  17           H2       PHL  17  -2.495 -11.748  -2.729
  127    HO   PHL  17           HO       PHL  17  -4.222 -12.372  -4.110
  128    HA   PHL  17           HA       PHL  17  -5.135 -12.649  -1.412
  129   1HB   PHL  17          1HB       PHL  17  -4.353  -9.876  -2.524
  130   2HB   PHL  17          2HB       PHL  17  -5.415 -11.016  -3.304
  131    HD1  PHL  17           HD1      PHL  17  -7.631 -11.718  -2.135
  132    HD2  PHL  17           HD2      PHL  17  -5.291  -8.346  -0.840
  133    HE1  PHL  17           HE1      PHL  17  -9.576 -10.820  -0.926
  134    HE2  PHL  17           HE2      PHL  17  -7.249  -7.464   0.364
  135    HZ   PHL  17           HZ       PHL  17  -9.392  -8.695   0.325
  136    H    PHL  17           H        PHL  17  -3.185 -10.575  -0.242
  137    H1   ACE   1           H1       ACE   1  -0.838  12.452  -0.259
  138    H2   ACE   1           H2       ACE   1  -1.988  13.092   0.957
  139    H3   ACE   1           H3       ACE   1  -0.444  12.348   1.472
  Start of MODEL    4
    1    H    TRP   2           H        TRP   2  -3.121  11.625  -0.287
    2    HA   TRP   2           HA       TRP   2  -3.522   8.917   0.754
    3   1HB   TRP   2          1HB       TRP   2  -5.301   8.611  -0.655
    4   2HB   TRP   2          2HB       TRP   2  -5.376  10.301  -0.276
    5    HD1  TRP   2           HD1      TRP   2  -4.868  12.078  -2.409
    6    HE1  TRP   2           HE1      TRP   2  -4.993  11.810  -5.037
    7    HE3  TRP   2           HE3      TRP   2  -4.869   6.975  -2.470
    8    HZ2  TRP   2           HZ2      TRP   2  -4.982   9.525  -6.775
    9    HZ3  TRP   2           HZ3      TRP   2  -4.996   5.804  -4.635
   10    HH2  TRP   2           HH2      TRP   2  -5.008   7.050  -6.756
   11    H    ILE   3           H        ILE   3  -1.378  10.134  -1.719
   12    HA   ILE   3           HA       ILE   3  -0.810   7.549  -2.971
   13    HB   ILE   3           HB       ILE   3   1.179   8.482  -4.006
   14   1HG1  ILE   3          1HG1      ILE   3   1.335  11.159  -3.865
   15   2HG1  ILE   3          2HG1      ILE   3   0.685  10.952  -2.254
   16   1HG2  ILE   3          1HG2      ILE   3  -1.284  10.280  -4.356
   17   2HG2  ILE   3          2HG2      ILE   3   0.023  10.014  -5.533
   18   3HG2  ILE   3          3HG2      ILE   3  -1.048   8.674  -5.080
   19   1HD1  ILE   3          1HD1      ILE   3   3.322   9.763  -3.373
   20   2HD1  ILE   3          2HD1      ILE   3   3.153  11.087  -2.194
   21   3HD1  ILE   3          3HD1      ILE   3   2.731   9.433  -1.730
   22    H    GLN   4           H        GLN   4   0.502   8.990  -0.089
   23    HA   GLN   4           HA       GLN   4   2.475   6.816   0.416
   24   1HB   GLN   4          1HB       GLN   4   1.331   9.031   2.204
   25   2HB   GLN   4          2HB       GLN   4   2.391   7.806   2.847
   26   1HG   GLN   4          1HG       GLN   4   4.288   8.670   2.004
   27   2HG   GLN   4          2HG       GLN   4   3.645   8.880   0.400
   28   1HE2  GLN   4          2HE2      GLN   4   4.602  10.559   3.172
   29   2HE2  GLN   4          1HE2      GLN   4   3.969  12.207   2.667
   30   1HB1  DIV   5          1HB1      DIV   5  -0.258   4.620   3.842
   31   2HB1  DIV   5          2HB1      DIV   5  -1.190   6.016   4.312
   32   1HG1  DIV   5          1HG1      DIV   5  -2.412   3.201   4.009
   33   2HG1  DIV   5          2HG1      DIV   5  -1.879   3.947   5.529
   34   3HG1  DIV   5          3HG1      DIV   5  -3.241   4.644   4.629
   35   1HB2  DIV   5          1HB2      DIV   5  -3.212   6.355   1.105
   36   2HB2  DIV   5          2HB2      DIV   5  -3.754   5.367   2.447
   37   3HB2  DIV   5          3HB2      DIV   5  -3.032   6.959   2.759
   38    H    DIV   5           H        DIV   5  -0.884   7.362   1.472
   39    H    ILE   6           H        ILE   6  -1.889   5.250  -0.366
   40    HA   ILE   6           HA       ILE   6  -2.164   2.422  -0.648
   41    HB   ILE   6           HB       ILE   6  -2.057   2.614  -3.084
   42   1HG1  ILE   6          1HG1      ILE   6  -1.900   5.658  -2.793
   43   2HG1  ILE   6          2HG1      ILE   6  -0.490   4.688  -3.172
   44   1HG2  ILE   6          1HG2      ILE   6  -4.033   4.577  -1.775
   45   2HG2  ILE   6          2HG2      ILE   6  -4.246   3.715  -3.317
   46   3HG2  ILE   6          3HG2      ILE   6  -4.193   2.805  -1.801
   47   1HD1  ILE   6          1HD1      ILE   6  -3.002   4.835  -4.943
   48   2HD1  ILE   6          2HD1      ILE   6  -1.439   5.619  -5.247
   49   3HD1  ILE   6          3HD1      ILE   6  -1.570   3.839  -5.279
   50    H    THR   7           H        THR   7   0.824   4.333  -1.275
   51    HA   THR   7           HA       THR   7   2.389   2.082  -2.266
   52    HB   THR   7           HB       THR   7   3.420   4.598  -0.841
   53    HG1  THR   7           HG1      THR   7   3.705   5.264  -2.987
   54   1HG2  THR   7          1HG2      THR   7   5.526   4.227  -2.188
   55   2HG2  THR   7          2HG2      THR   7   5.282   2.909  -1.022
   56   3HG2  THR   7          3HG2      THR   7   4.899   2.655  -2.743
   57   1HB1  AIB   8          1HB1      AIB   8   0.926   2.664   3.278
   58   2HB1  AIB   8          2HB1      AIB   8   1.964   1.819   4.441
   59   3HB1  AIB   8          3HB1      AIB   8   2.571   3.253   3.590
   60   1HB2  AIB   8          1HB2      AIB   8   4.626   1.959   2.730
   61   2HB2  AIB   8          2HB2      AIB   8   4.049   0.562   3.664
   62   3HB2  AIB   8          3HB2      AIB   8   4.425   0.378   1.945
   63    H    AIB   8           H        AIB   8   1.876   3.110   1.044
   64    H    LEU   9           H        LEU   9   0.192   1.091   1.102
   65    HA   LEU   9           HA       LEU   9  -0.437  -1.644   2.097
   66   1HB   LEU   9          1HB       LEU   9  -1.901   0.518   0.571
   67   2HB   LEU   9          2HB       LEU   9  -2.352  -1.111   0.234
   68    HG   LEU   9           HG       LEU   9  -3.695   0.128   1.921
   69   1HD1  LEU   9          1HD1      LEU   9  -2.633  -2.626   2.841
   70   2HD1  LEU   9          2HD1      LEU   9  -4.197  -1.902   3.290
   71   3HD1  LEU   9          3HD1      LEU   9  -3.884  -2.359   1.607
   72   1HD2  LEU   9          1HD2      LEU   9  -1.892   1.115   3.362
   73   2HD2  LEU   9          2HD2      LEU   9  -3.109   0.222   4.293
   74   3HD2  LEU   9          3HD2      LEU   9  -1.509  -0.498   3.989
   75   1HB1  AIB  10          1HB1      AIB  10   3.427  -0.961  -2.193
   76   2HB1  AIB  10          2HB1      AIB  10   2.957  -1.773  -3.682
   77   3HB1  AIB  10          3HB1      AIB  10   2.105  -0.303  -3.158
   78   1HB2  AIB  10          1HB2      AIB  10  -0.112  -1.426  -3.347
   79   2HB2  AIB  10          2HB2      AIB  10   0.743  -2.861  -3.964
   80   3HB2  AIB  10          3HB2      AIB  10  -0.406  -3.023  -2.623
   81    H    AIB  10           H        AIB  10   1.341  -0.397  -0.636
   82    HA   HYP  11           HA       HYP  11   3.997  -5.541  -0.807
   83   1HB   HYP  11          1HB       HYP  11   5.010  -5.161   1.728
   84   2HB   HYP  11          2HB       HYP  11   5.755  -4.459   0.278
   85   1HD   HYP  11          1HD       HYP  11   2.882  -1.826   0.615
   86   2HD   HYP  11          2HD       HYP  11   4.297  -1.812  -0.442
   87    HOD  HYP  11           HOD      HYP  11   6.119  -2.811   2.347
   88    HG   HYP  11           HG       HYP  11   3.841  -3.133   2.265
   89    H    GLN  12           H        GLN  12   1.367  -4.133   1.042
   90    HA   GLN  12           HA       GLN  12   0.641  -6.801   2.088
   91   1HB   GLN  12          1HB       GLN  12  -0.548  -4.122   2.951
   92   2HB   GLN  12          2HB       GLN  12  -1.040  -5.706   3.522
   93   1HG   GLN  12          1HG       GLN  12   1.599  -5.940   4.180
   94   2HG   GLN  12          2HG       GLN  12   1.543  -4.193   4.147
   95   1HE2  GLN  12          2HE2      GLN  12   0.260  -3.136   5.811
   96   2HE2  GLN  12          1HE2      GLN  12  -0.381  -4.080   7.247
   97   1HB1  AIB  13          1HB1      AIB  13  -0.088  -5.967  -3.171
   98   2HB1  AIB  13          2HB1      AIB  13  -1.606  -6.618  -3.802
   99   3HB1  AIB  13          3HB1      AIB  13  -1.552  -5.015  -3.039
  100   1HB2  AIB  13          1HB2      AIB  13  -3.285  -5.386  -1.380
  101   2HB2  AIB  13          2HB2      AIB  13  -3.599  -6.880  -2.297
  102   3HB2  AIB  13          3HB2      AIB  13  -3.457  -6.942  -0.548
  103    H    AIB  13           H        AIB  13   0.254  -5.603  -0.811
  104    HA   HYP  14           HA       HYP  14  -0.129 -10.699  -2.524
  105   1HB   HYP  14          1HB       HYP  14   2.545 -11.093  -1.914
  106   2HB   HYP  14          2HB       HYP  14   1.974 -10.267  -3.373
  107   1HD   HYP  14          1HD       HYP  14   1.484  -7.114  -1.199
  108   2HD   HYP  14          2HD       HYP  14   1.374  -7.452  -2.925
  109    HOD  HYP  14           HOD      HYP  14   3.343  -8.303  -3.413
  110    HG   HYP  14           HG       HYP  14   2.800  -8.982  -0.695
  111   1HB1  AIB  15          1HB1      AIB  15   0.722  -9.135   3.096
  112   2HB1  AIB  15          2HB1      AIB  15   1.134 -10.488   4.161
  113   3HB1  AIB  15          3HB1      AIB  15   2.308  -9.873   2.983
  114   1HB2  AIB  15          1HB2      AIB  15   2.751 -11.994   1.852
  115   2HB2  AIB  15          2HB2      AIB  15   1.781 -12.778   3.116
  116   3HB2  AIB  15          3HB2      AIB  15   1.445 -13.114   1.410
  117    H    AIB  15           H        AIB  15   1.257  -9.558   0.621
  118    HA   PRO  16           HA       PRO  16  -3.359 -12.094   3.238
  119   1HB   PRO  16          1HB       PRO  16  -5.171 -10.205   2.373
  120   2HB   PRO  16          2HB       PRO  16  -4.181 -10.020   3.833
  121   1HG   PRO  16          1HG       PRO  16  -3.701  -8.815   1.076
  122   2HG   PRO  16          2HG       PRO  16  -3.565  -8.022   2.662
  123   1HD   PRO  16          1HD       PRO  16  -1.396  -9.068   1.212
  124   2HD   PRO  16          2HD       PRO  16  -1.363  -8.861   2.971
  125    H1   PHL  17           H1       PHL  17  -2.379 -13.474  -1.609
  126    H2   PHL  17           H2       PHL  17  -2.239 -11.973  -2.536
  127    HO   PHL  17           HO       PHL  17  -3.894 -12.762  -3.895
  128    HA   PHL  17           HA       PHL  17  -4.817 -12.963  -1.160
  129   1HB   PHL  17          1HB       PHL  17  -4.192 -10.243  -2.476
  130   2HB   PHL  17          2HB       PHL  17  -5.238 -11.476  -3.121
  131    HD1  PHL  17           HD1      PHL  17  -7.357 -12.190  -1.708
  132    HD2  PHL  17           HD2      PHL  17  -5.146  -8.571  -0.985
  133    HE1  PHL  17           HE1      PHL  17  -9.278 -11.248  -0.492
  134    HE2  PHL  17           HE2      PHL  17  -7.077  -7.644   0.228
  135    HZ   PHL  17           HZ       PHL  17  -9.144  -8.977   0.476
  136    H    PHL  17           H        PHL  17  -2.984 -10.718  -0.123
  137    H1   ACE   1           H1       ACE   1  -0.667  12.470  -0.018
  138    H2   ACE   1           H2       ACE   1  -1.781  13.091   1.241
  139    H3   ACE   1           H3       ACE   1  -0.239  12.305   1.700
  Start of MODEL    5
    1    H    TRP   2           H        TRP   2  -2.800  11.461  -0.176
    2    HA   TRP   2           HA       TRP   2  -4.007   8.826   0.324
    3   1HB   TRP   2          1HB       TRP   2  -4.157  10.477  -2.254
    4   2HB   TRP   2          2HB       TRP   2  -5.153   9.093  -1.869
    5    HD1  TRP   2           HD1      TRP   2  -6.120   9.901   1.168
    6    HE1  TRP   2           HE1      TRP   2  -7.823  11.871   1.587
    7    HE3  TRP   2           HE3      TRP   2  -5.374  12.274  -3.300
    8    HZ2  TRP   2           HZ2      TRP   2  -8.597  14.150   0.040
    9    HZ3  TRP   2           HZ3      TRP   2  -6.637  14.343  -3.774
   10    HH2  TRP   2           HH2      TRP   2  -8.214  15.271  -2.129
   11    H    ILE   3           H        ILE   3  -1.491   9.993  -1.926
   12    HA   ILE   3           HA       ILE   3  -0.921   7.343  -3.067
   13    HB   ILE   3           HB       ILE   3   0.835   9.821  -3.147
   14   1HG1  ILE   3          1HG1      ILE   3  -1.220  10.318  -4.339
   15   2HG1  ILE   3          2HG1      ILE   3   0.087  10.152  -5.480
   16   1HG2  ILE   3          1HG2      ILE   3   1.170   7.227  -4.777
   17   2HG2  ILE   3          2HG2      ILE   3   2.033   8.753  -5.094
   18   3HG2  ILE   3          3HG2      ILE   3   2.296   7.890  -3.573
   19   1HD1  ILE   3          1HD1      ILE   3  -2.107   8.022  -4.967
   20   2HD1  ILE   3          2HD1      ILE   3  -1.983   9.101  -6.372
   21   3HD1  ILE   3          3HD1      ILE   3  -0.767   7.828  -6.126
   22    H    GLN   4           H        GLN   4   0.405   9.027  -0.305
   23    HA   GLN   4           HA       GLN   4   2.422   6.960   0.378
   24   1HB   GLN   4          1HB       GLN   4   1.177   9.243   2.004
   25   2HB   GLN   4          2HB       GLN   4   2.211   8.063   2.783
   26   1HG   GLN   4          1HG       GLN   4   4.113   8.540   1.352
   27   2HG   GLN   4          2HG       GLN   4   3.171   9.567   0.288
   28   1HE2  GLN   4          2HE2      GLN   4   3.290  11.742   0.739
   29   2HE2  GLN   4          1HE2      GLN   4   3.886  12.446   2.323
   30   1HB1  DIV   5          1HB1      DIV   5  -0.180   4.721   3.859
   31   2HB1  DIV   5          2HB1      DIV   5  -1.160   6.092   4.314
   32   1HG1  DIV   5          1HG1      DIV   5  -2.244   3.206   4.105
   33   2HG1  DIV   5          2HG1      DIV   5  -1.774   4.056   5.593
   34   3HG1  DIV   5          3HG1      DIV   5  -3.161   4.633   4.650
   35   1HB2  DIV   5          1HB2      DIV   5  -3.206   6.348   1.131
   36   2HB2  DIV   5          2HB2      DIV   5  -3.729   5.327   2.466
   37   3HB2  DIV   5          3HB2      DIV   5  -3.051   6.930   2.797
   38    H    DIV   5           H        DIV   5  -0.932   7.411   1.508
   39    H    ILE   6           H        ILE   6  -1.962   5.180  -0.340
   40    HA   ILE   6           HA       ILE   6  -2.129   2.332  -0.484
   41    HB   ILE   6           HB       ILE   6  -2.294   2.392  -2.887
   42   1HG1  ILE   6          1HG1      ILE   6  -2.650   4.923  -3.847
   43   2HG1  ILE   6          2HG1      ILE   6  -1.425   5.295  -2.659
   44   1HG2  ILE   6          1HG2      ILE   6  -4.080   4.499  -1.561
   45   2HG2  ILE   6          2HG2      ILE   6  -4.441   3.544  -3.018
   46   3HG2  ILE   6          3HG2      ILE   6  -4.287   2.734  -1.450
   47   1HD1  ILE   6          1HD1      ILE   6  -1.181   3.299  -5.012
   48   2HD1  ILE   6          2HD1      ILE   6  -0.413   4.902  -4.892
   49   3HD1  ILE   6          3HD1      ILE   6   0.125   3.582  -3.837
   50    H    THR   7           H        THR   7   0.758   4.304  -1.222
   51    HA   THR   7           HA       THR   7   2.366   2.089  -2.261
   52    HB   THR   7           HB       THR   7   3.297   4.709  -0.953
   53    HG1  THR   7           HG1      THR   7   3.460   5.328  -3.109
   54   1HG2  THR   7          1HG2      THR   7   5.390   4.426  -2.315
   55   2HG2  THR   7          2HG2      THR   7   5.255   3.131  -1.109
   56   3HG2  THR   7          3HG2      THR   7   4.865   2.800  -2.816
   57   1HB1  AIB   8          1HB1      AIB   8   1.096   2.841   3.296
   58   2HB1  AIB   8          2HB1      AIB   8   2.185   2.066   4.458
   59   3HB1  AIB   8          3HB1      AIB   8   2.728   3.492   3.551
   60   1HB2  AIB   8          1HB2      AIB   8   4.800   2.250   2.662
   61   2HB2  AIB   8          2HB2      AIB   8   4.305   0.875   3.669
   62   3HB2  AIB   8          3HB2      AIB   8   4.636   0.632   1.947
   63    H    AIB   8           H        AIB   8   1.982   3.243   1.020
   64    H    LEU   9           H        LEU   9   0.413   1.105   1.113
   65    HA   LEU   9           HA       LEU   9  -0.097  -1.553   2.367
   66   1HB   LEU   9          1HB       LEU   9  -1.731   0.356   0.616
   67   2HB   LEU   9          2HB       LEU   9  -2.214  -1.302   0.749
   68    HG   LEU   9           HG       LEU   9  -1.907   0.514   3.208
   69   1HD1  LEU   9          1HD1      LEU   9  -4.470  -0.205   1.636
   70   2HD1  LEU   9          2HD1      LEU   9  -4.397   0.723   3.153
   71   3HD1  LEU   9          3HD1      LEU   9  -3.684   1.391   1.674
   72   1HD2  LEU   9          1HD2      LEU   9  -1.799  -1.921   3.817
   73   2HD2  LEU   9          2HD2      LEU   9  -3.342  -1.234   4.348
   74   3HD2  LEU   9          3HD2      LEU   9  -3.280  -2.249   2.886
   75   1HB1  AIB  10          1HB1      AIB  10   3.577  -1.007  -2.040
   76   2HB1  AIB  10          2HB1      AIB  10   3.064  -1.804  -3.522
   77   3HB1  AIB  10          3HB1      AIB  10   2.257  -0.314  -2.984
   78   1HB2  AIB  10          1HB2      AIB  10   0.000  -1.338  -3.096
   79   2HB2  AIB  10          2HB2      AIB  10   0.771  -2.804  -3.759
   80   3HB2  AIB  10          3HB2      AIB  10  -0.333  -2.931  -2.378
   81    H    AIB  10           H        AIB  10   1.484  -0.361  -0.481
   82    HA   HYP  11           HA       HYP  11   4.065  -5.640  -0.810
   83   1HB   HYP  11          1HB       HYP  11   5.186  -5.372   1.685
   84   2HB   HYP  11          2HB       HYP  11   5.871  -4.613   0.236
   85   1HD   HYP  11          1HD       HYP  11   3.019  -2.008   0.832
   86   2HD   HYP  11          2HD       HYP  11   4.389  -1.877  -0.276
   87    HOD  HYP  11           HOD      HYP  11   6.233  -2.902   2.502
   88    HG   HYP  11           HG       HYP  11   4.076  -3.341   2.367
   89    H    GLN  12           H        GLN  12   1.556  -4.223   1.178
   90    HA   GLN  12           HA       GLN  12   0.742  -6.862   2.229
   91   1HB   GLN  12          1HB       GLN  12  -0.116  -4.026   3.010
   92   2HB   GLN  12          2HB       GLN  12  -0.888  -5.464   3.645
   93   1HG   GLN  12          1HG       GLN  12   1.252  -6.284   4.623
   94   2HG   GLN  12          2HG       GLN  12   2.109  -4.869   4.013
   95   1HE2  GLN  12          2HE2      GLN  12   2.212  -5.461   6.634
   96   2HE2  GLN  12          1HE2      GLN  12   1.282  -4.207   7.594
   97   1HB1  AIB  13          1HB1      AIB  13  -0.244  -5.754  -3.029
   98   2HB1  AIB  13          2HB1      AIB  13  -1.822  -6.312  -3.601
   99   3HB1  AIB  13          3HB1      AIB  13  -1.664  -4.766  -2.745
  100   1HB2  AIB  13          1HB2      AIB  13  -3.323  -5.209  -1.007
  101   2HB2  AIB  13          2HB2      AIB  13  -3.715  -6.616  -2.022
  102   3HB2  AIB  13          3HB2      AIB  13  -3.493  -6.826  -0.291
  103    H    AIB  13           H        AIB  13   0.238  -5.528  -0.678
  104    HA   HYP  14           HA       HYP  14  -0.361 -10.497  -2.684
  105   1HB   HYP  14          1HB       HYP  14   2.323 -10.998  -2.207
  106   2HB   HYP  14          2HB       HYP  14   1.722 -10.061  -3.583
  107   1HD   HYP  14          1HD       HYP  14   1.399  -7.060  -1.174
  108   2HD   HYP  14          2HD       HYP  14   1.216  -7.269  -2.922
  109    HOD  HYP  14           HOD      HYP  14   3.137  -8.103  -3.538
  110    HG   HYP  14           HG       HYP  14   2.683  -8.984  -0.863
  111   1HB1  AIB  15          1HB1      AIB  15   0.720  -9.304   2.967
  112   2HB1  AIB  15          2HB1      AIB  15   1.144 -10.723   3.941
  113   3HB1  AIB  15          3HB1      AIB  15   2.284 -10.065   2.751
  114   1HB2  AIB  15          1HB2      AIB  15   2.636 -12.139   1.500
  115   2HB2  AIB  15          2HB2      AIB  15   1.692 -12.959   2.764
  116   3HB2  AIB  15          3HB2      AIB  15   1.289 -13.207   1.057
  117    H    AIB  15           H        AIB  15   1.167  -9.600   0.468
  118    HA   PRO  16           HA       PRO  16  -3.424 -12.157   3.098
  119   1HB   PRO  16          1HB       PRO  16  -5.208 -10.173   2.442
  120   2HB   PRO  16          2HB       PRO  16  -4.128 -10.085   3.844
  121   1HG   PRO  16          1HG       PRO  16  -3.751  -8.784   1.105
  122   2HG   PRO  16          2HG       PRO  16  -3.540  -8.048   2.711
  123   1HD   PRO  16          1HD       PRO  16  -1.438  -9.073   1.169
  124   2HD   PRO  16          2HD       PRO  16  -1.359  -8.978   2.935
  125    H1   PHL  17           H1       PHL  17  -2.435 -12.600  -2.263
  126    H2   PHL  17           H2       PHL  17  -2.893 -10.987  -2.820
  127    HO   PHL  17           HO       PHL  17  -4.516 -11.977  -4.077
  128    HA   PHL  17           HA       PHL  17  -4.761 -12.959  -1.363
  129   1HB   PHL  17          1HB       PHL  17  -5.188  -9.943  -1.938
  130   2HB   PHL  17          2HB       PHL  17  -5.897 -11.228  -2.876
  131    HD1  PHL  17           HD1      PHL  17  -7.487 -12.944  -1.688
  132    HD2  PHL  17           HD2      PHL  17  -6.344  -9.196   0.093
  133    HE1  PHL  17           HE1      PHL  17  -9.398 -13.082  -0.145
  134    HE2  PHL  17           HE2      PHL  17  -8.262  -9.353   1.626
  135    HZ   PHL  17           HZ       PHL  17  -9.792 -11.290   1.512
  136    H    PHL  17           H        PHL  17  -3.157 -10.607  -0.201
  137    H1   ACE   1           H1       ACE   1  -1.529  12.441   1.642
  138    H2   ACE   1           H2       ACE   1  -0.429  11.290   2.460
  139    H3   ACE   1           H3       ACE   1  -0.280  11.559   0.710
  Start of MODEL    6
    1    H    TRP   2           H        TRP   2  -3.304  11.632  -0.273
    2    HA   TRP   2           HA       TRP   2  -3.567   8.901   0.720
    3   1HB   TRP   2          1HB       TRP   2  -5.338   8.555  -0.719
    4   2HB   TRP   2          2HB       TRP   2  -5.468  10.224  -0.268
    5    HD1  TRP   2           HD1      TRP   2  -5.167   7.918  -3.272
    6    HE1  TRP   2           HE1      TRP   2  -5.197   9.186  -5.583
    7    HE3  TRP   2           HE3      TRP   2  -4.652  12.622  -1.349
    8    HZ2  TRP   2           HZ2      TRP   2  -4.992  11.946  -6.299
    9    HZ3  TRP   2           HZ3      TRP   2  -4.547  14.539  -2.904
   10    HH2  TRP   2           HH2      TRP   2  -4.714  14.209  -5.339
   11    H    ILE   3           H        ILE   3  -1.330  10.154  -1.578
   12    HA   ILE   3           HA       ILE   3  -0.799   7.645  -2.966
   13    HB   ILE   3           HB       ILE   3  -0.258  10.000  -3.800
   14   1HG1  ILE   3          1HG1      ILE   3   0.190   8.122  -5.178
   15   2HG1  ILE   3          2HG1      ILE   3   1.407   9.360  -5.352
   16   1HG2  ILE   3          1HG2      ILE   3   2.419   9.699  -2.338
   17   2HG2  ILE   3          2HG2      ILE   3   1.945  10.976  -3.482
   18   3HG2  ILE   3          3HG2      ILE   3   1.125  10.846  -1.913
   19   1HD1  ILE   3          1HD1      ILE   3   1.769   6.632  -3.974
   20   2HD1  ILE   3          2HD1      ILE   3   2.511   7.202  -5.474
   21   3HD1  ILE   3          3HD1      ILE   3   3.012   7.914  -3.923
   22    H    GLN   4           H        GLN   4   0.613   9.029  -0.082
   23    HA   GLN   4           HA       GLN   4   2.495   6.805   0.475
   24   1HB   GLN   4          1HB       GLN   4   1.361   9.037   2.252
   25   2HB   GLN   4          2HB       GLN   4   2.295   7.728   2.957
   26   1HG   GLN   4          1HG       GLN   4   4.232   8.175   1.514
   27   2HG   GLN   4          2HG       GLN   4   3.361   9.447   0.659
   28   1HE2  GLN   4          2HE2      GLN   4   5.423  10.524   1.392
   29   2HE2  GLN   4          1HE2      GLN   4   5.384  11.384   3.014
   30   1HB1  DIV   5          1HB1      DIV   5  -0.278   4.604   3.808
   31   2HB1  DIV   5          2HB1      DIV   5  -1.169   6.026   4.284
   32   1HG1  DIV   5          1HG1      DIV   5  -2.448   3.230   4.035
   33   2HG1  DIV   5          2HG1      DIV   5  -1.879   4.001   5.531
   34   3HG1  DIV   5          3HG1      DIV   5  -3.243   4.705   4.638
   35   1HB2  DIV   5          1HB2      DIV   5  -3.210   6.407   1.089
   36   2HB2  DIV   5          2HB2      DIV   5  -3.776   5.402   2.417
   37   3HB2  DIV   5          3HB2      DIV   5  -3.035   6.978   2.757
   38    H    DIV   5           H        DIV   5  -0.870   7.383   1.502
   39    H    ILE   6           H        ILE   6  -1.878   5.247  -0.418
   40    HA   ILE   6           HA       ILE   6  -2.167   2.412  -0.642
   41    HB   ILE   6           HB       ILE   6  -3.227   3.970  -2.197
   42   1HG1  ILE   6          1HG1      ILE   6  -1.634   1.760  -3.623
   43   2HG1  ILE   6          2HG1      ILE   6  -3.014   1.473  -2.578
   44   1HG2  ILE   6          1HG2      ILE   6  -0.529   4.184  -3.690
   45   2HG2  ILE   6          2HG2      ILE   6  -2.093   4.870  -4.199
   46   3HG2  ILE   6          3HG2      ILE   6  -1.300   5.484  -2.746
   47   1HD1  ILE   6          1HD1      ILE   6  -3.123   3.051  -5.224
   48   2HD1  ILE   6          2HD1      ILE   6  -3.754   1.422  -4.920
   49   3HD1  ILE   6          3HD1      ILE   6  -4.504   2.823  -4.118
   50    H    THR   7           H        THR   7   0.810   4.325  -1.236
   51    HA   THR   7           HA       THR   7   2.416   2.117  -2.248
   52    HB   THR   7           HB       THR   7   3.346   4.640  -0.761
   53    HG1  THR   7           HG1      THR   7   3.637   5.367  -2.861
   54   1HG2  THR   7          1HG2      THR   7   5.505   4.373  -2.001
   55   2HG2  THR   7          2HG2      THR   7   5.262   3.005  -0.898
   56   3HG2  THR   7          3HG2      THR   7   4.970   2.802  -2.647
   57   1HB1  AIB   8          1HB1      AIB   8   0.887   2.585   3.295
   58   2HB1  AIB   8          2HB1      AIB   8   1.918   1.727   4.452
   59   3HB1  AIB   8          3HB1      AIB   8   2.521   3.185   3.643
   60   1HB2  AIB   8          1HB2      AIB   8   4.609   1.921   2.759
   61   2HB2  AIB   8          2HB2      AIB   8   4.033   0.516   3.678
   62   3HB2  AIB   8          3HB2      AIB   8   4.416   0.348   1.960
   63    H    AIB   8           H        AIB   8   1.865   3.083   1.066
   64    H    LEU   9           H        LEU   9   0.174   1.064   1.100
   65    HA   LEU   9           HA       LEU   9  -0.414  -1.693   2.036
   66   1HB   LEU   9          1HB       LEU   9  -1.907   0.443   0.499
   67   2HB   LEU   9          2HB       LEU   9  -2.332  -1.201   0.179
   68    HG   LEU   9           HG       LEU   9  -3.704   0.008   1.862
   69   1HD1  LEU   9          1HD1      LEU   9  -2.531  -2.682   2.840
   70   2HD1  LEU   9          2HD1      LEU   9  -4.132  -2.025   3.254
   71   3HD1  LEU   9          3HD1      LEU   9  -3.780  -2.505   1.587
   72   1HD2  LEU   9          1HD2      LEU   9  -1.951   1.091   3.283
   73   2HD2  LEU   9          2HD2      LEU   9  -3.104   0.141   4.239
   74   3HD2  LEU   9          3HD2      LEU   9  -1.474  -0.500   3.914
   75   1HB1  AIB  10          1HB1      AIB  10   3.445  -0.896  -2.223
   76   2HB1  AIB  10          2HB1      AIB  10   3.025  -1.725  -3.718
   77   3HB1  AIB  10          3HB1      AIB  10   2.125  -0.283  -3.211
   78   1HB2  AIB  10          1HB2      AIB  10  -0.052  -1.412  -3.417
   79   2HB2  AIB  10          2HB2      AIB  10   0.799  -2.854  -4.030
   80   3HB2  AIB  10          3HB2      AIB  10  -0.356  -3.005  -2.699
   81    H    AIB  10           H        AIB  10   1.365  -0.394  -0.694
   82    HA   HYP  11           HA       HYP  11   4.046  -5.542  -0.880
   83   1HB   HYP  11          1HB       HYP  11   5.127  -5.137   1.622
   84   2HB   HYP  11          2HB       HYP  11   5.819  -4.435   0.149
   85   1HD   HYP  11          1HD       HYP  11   2.945  -1.821   0.540
   86   2HD   HYP  11          2HD       HYP  11   4.343  -1.787  -0.532
   87    HOD  HYP  11           HOD      HYP  11   6.248  -2.806   2.170
   88    HG   HYP  11           HG       HYP  11   3.948  -3.106   2.180
   89    H    GLN  12           H        GLN  12   1.487  -4.066   1.013
   90    HA   GLN  12           HA       GLN  12   0.748  -6.619   2.286
   91   1HB   GLN  12          1HB       GLN  12  -0.403  -3.809   2.604
   92   2HB   GLN  12          2HB       GLN  12  -1.053  -5.210   3.424
   93   1HG   GLN  12          1HG       GLN  12   1.062  -5.582   4.662
   94   2HG   GLN  12          2HG       GLN  12   1.831  -4.231   3.837
   95   1HE2  GLN  12          2HE2      GLN  12   2.039  -3.966   6.317
   96   2HE2  GLN  12          1HE2      GLN  12   0.830  -2.799   7.058
   97   1HB1  AIB  13          1HB1      AIB  13  -0.132  -5.984  -3.153
   98   2HB1  AIB  13          2HB1      AIB  13  -1.695  -6.592  -3.713
   99   3HB1  AIB  13          3HB1      AIB  13  -1.570  -4.998  -2.953
  100   1HB2  AIB  13          1HB2      AIB  13  -3.276  -5.380  -1.245
  101   2HB2  AIB  13          2HB2      AIB  13  -3.609  -6.876  -2.150
  102   3HB2  AIB  13          3HB2      AIB  13  -3.415  -6.938  -0.408
  103    H    AIB  13           H        AIB  13   0.273  -5.563  -0.801
  104    HA   HYP  14           HA       HYP  14  -0.140 -10.679  -2.503
  105   1HB   HYP  14          1HB       HYP  14   2.529 -11.100  -1.898
  106   2HB   HYP  14          2HB       HYP  14   1.960 -10.240  -3.342
  107   1HD   HYP  14          1HD       HYP  14   1.488  -7.124  -1.136
  108   2HD   HYP  14          2HD       HYP  14   1.372  -7.447  -2.867
  109    HOD  HYP  14           HOD      HYP  14   3.358  -8.322  -3.360
  110    HG   HYP  14           HG       HYP  14   2.795  -9.000  -0.649
  111   1HB1  AIB  15          1HB1      AIB  15   0.666  -9.145   3.094
  112   2HB1  AIB  15          2HB1      AIB  15   1.047 -10.492   4.184
  113   3HB1  AIB  15          3HB1      AIB  15   2.242  -9.899   3.012
  114   1HB2  AIB  15          1HB2      AIB  15   2.691 -12.020   1.899
  115   2HB2  AIB  15          2HB2      AIB  15   1.716 -12.773   3.177
  116   3HB2  AIB  15          3HB2      AIB  15   1.393 -13.152   1.477
  117    H    AIB  15           H        AIB  15   1.186  -9.567   0.671
  118    HA   PRO  16           HA       PRO  16  -3.447 -12.108   3.228
  119   1HB   PRO  16          1HB       PRO  16  -5.230 -10.177   2.442
  120   2HB   PRO  16          2HB       PRO  16  -4.203 -10.026   3.878
  121   1HG   PRO  16          1HG       PRO  16  -3.758  -8.787   1.126
  122   2HG   PRO  16          2HG       PRO  16  -3.587  -8.020   2.718
  123   1HD   PRO  16          1HD       PRO  16  -1.463  -9.099   1.216
  124   2HD   PRO  16          2HD       PRO  16  -1.400  -8.885   2.978
  125    H1   PHL  17           H1       PHL  17  -2.363 -13.313  -1.642
  126    H2   PHL  17           H2       PHL  17  -2.274 -11.781  -2.524
  127    HO   PHL  17           HO       PHL  17  -3.850 -12.596  -3.943
  128    HA   PHL  17           HA       PHL  17  -4.828 -12.916  -1.218
  129   1HB   PHL  17          1HB       PHL  17  -4.310 -10.086  -2.349
  130   2HB   PHL  17          2HB       PHL  17  -5.189 -11.338  -3.179
  131    HD1  PHL  17           HD1      PHL  17  -5.502  -8.687  -0.706
  132    HD2  PHL  17           HD2      PHL  17  -7.368 -12.287  -2.148
  133    HE1  PHL  17           HE1      PHL  17  -7.621  -8.027   0.356
  134    HE2  PHL  17           HE2      PHL  17  -9.478 -11.610  -1.077
  135    HZ   PHL  17           HZ       PHL  17  -9.609  -9.485   0.177
  136    H    PHL  17           H        PHL  17  -3.027 -10.681  -0.095
  137    H1   ACE   1           H1       ACE   1  -0.918  12.631  -0.047
  138    H2   ACE   1           H2       ACE   1  -2.031  13.134   1.263
  139    H3   ACE   1           H3       ACE   1  -0.426  12.447   1.650
  Start of MODEL    7
    1    H    TRP   2           H        TRP   2  -2.643  11.474  -0.060
    2    HA   TRP   2           HA       TRP   2  -3.798   8.812   0.447
    3   1HB   TRP   2          1HB       TRP   2  -4.122  10.586  -2.031
    4   2HB   TRP   2          2HB       TRP   2  -5.027   9.122  -1.721
    5    HD1  TRP   2           HD1      TRP   2  -5.788   9.773   1.488
    6    HE1  TRP   2           HE1      TRP   2  -7.691  11.513   2.034
    7    HE3  TRP   2           HE3      TRP   2  -5.706  12.161  -3.032
    8    HZ2  TRP   2           HZ2      TRP   2  -8.892  13.633   0.538
    9    HZ3  TRP   2           HZ3      TRP   2  -7.290  14.015  -3.426
   10    HH2  TRP   2           HH2      TRP   2  -8.852  14.744  -1.670
   11    H    ILE   3           H        ILE   3  -1.299  10.049  -1.769
   12    HA   ILE   3           HA       ILE   3  -0.880   7.448  -3.086
   13    HB   ILE   3           HB       ILE   3   1.160   8.271  -4.114
   14   1HG1  ILE   3          1HG1      ILE   3   1.456  10.943  -3.994
   15   2HG1  ILE   3          2HG1      ILE   3   0.811  10.773  -2.376
   16   1HG2  ILE   3          1HG2      ILE   3  -1.180  10.208  -4.506
   17   2HG2  ILE   3          2HG2      ILE   3   0.116   9.828  -5.668
   18   3HG2  ILE   3          3HG2      ILE   3  -1.045   8.573  -5.200
   19   1HD1  ILE   3          1HD1      ILE   3   3.345   9.381  -3.509
   20   2HD1  ILE   3          2HD1      ILE   3   3.311  10.767  -2.397
   21   3HD1  ILE   3          3HD1      ILE   3   2.763   9.175  -1.845
   22    H    GLN   4           H        GLN   4   0.437   8.744  -0.137
   23    HA   GLN   4           HA       GLN   4   2.240   6.370   0.199
   24   1HB   GLN   4          1HB       GLN   4   1.673   8.699   2.094
   25   2HB   GLN   4          2HB       GLN   4   2.558   7.282   2.621
   26   1HG   GLN   4          1HG       GLN   4   3.404   9.103   0.318
   27   2HG   GLN   4          2HG       GLN   4   4.037   9.140   1.961
   28   1HE2  GLN   4          2HE2      GLN   4   5.617   8.838  -0.344
   29   2HE2  GLN   4          1HE2      GLN   4   6.447   7.208  -0.213
   30   1HB1  DIV   5          1HB1      DIV   5  -0.598   4.558   3.799
   31   2HB1  DIV   5          2HB1      DIV   5  -1.483   6.007   4.209
   32   1HG1  DIV   5          1HG1      DIV   5  -2.826   3.237   3.897
   33   2HG1  DIV   5          2HG1      DIV   5  -2.307   3.974   5.425
   34   3HG1  DIV   5          3HG1      DIV   5  -3.600   4.730   4.478
   35   1HB2  DIV   5          1HB2      DIV   5  -3.362   6.379   0.921
   36   2HB2  DIV   5          2HB2      DIV   5  -4.001   5.435   2.258
   37   3HB2  DIV   5          3HB2      DIV   5  -3.220   6.997   2.575
   38    H    DIV   5           H        DIV   5  -1.013   7.265   1.315
   39    H    ILE   6           H        ILE   6  -2.046   5.141  -0.504
   40    HA   ILE   6           HA       ILE   6  -2.214   2.277  -0.638
   41    HB   ILE   6           HB       ILE   6  -3.360   3.642  -2.270
   42   1HG1  ILE   6          1HG1      ILE   6  -2.961   2.277  -4.319
   43   2HG1  ILE   6          2HG1      ILE   6  -1.493   1.608  -3.627
   44   1HG2  ILE   6          1HG2      ILE   6  -0.673   4.144  -3.693
   45   2HG2  ILE   6          2HG2      ILE   6  -2.293   4.634  -4.247
   46   3HG2  ILE   6          3HG2      ILE   6  -1.604   5.355  -2.784
   47   1HD1  ILE   6          1HD1      ILE   6  -4.338   1.234  -2.450
   48   2HD1  ILE   6          2HD1      ILE   6  -3.468   0.054  -3.458
   49   3HD1  ILE   6          3HD1      ILE   6  -2.856   0.449  -1.840
   50    H    THR   7           H        THR   7   0.692   4.306  -1.385
   51    HA   THR   7           HA       THR   7   2.293   2.050  -2.287
   52    HB   THR   7           HB       THR   7   3.260   4.743  -1.200
   53    HG1  THR   7           HG1      THR   7   3.400   5.157  -3.418
   54   1HG2  THR   7          1HG2      THR   7   5.337   4.360  -2.554
   55   2HG2  THR   7          2HG2      THR   7   5.221   3.167  -1.246
   56   3HG2  THR   7          3HG2      THR   7   4.818   2.696  -2.918
   57   1HB1  AIB   8          1HB1      AIB   8   1.220   2.873   3.369
   58   2HB1  AIB   8          2HB1      AIB   8   2.422   2.146   4.444
   59   3HB1  AIB   8          3HB1      AIB   8   2.842   3.584   3.496
   60   1HB2  AIB   8          1HB2      AIB   8   4.894   2.368   2.540
   61   2HB2  AIB   8          2HB2      AIB   8   4.466   0.966   3.543
   62   3HB2  AIB   8          3HB2      AIB   8   4.731   0.759   1.807
   63    H    AIB   8           H        AIB   8   2.011   3.319   0.989
   64    H    LEU   9           H        LEU   9   0.430   1.184   1.226
   65    HA   LEU   9           HA       LEU   9   0.001  -1.489   2.476
   66   1HB   LEU   9          1HB       LEU   9  -1.696   0.364   0.716
   67   2HB   LEU   9          2HB       LEU   9  -2.143  -1.294   0.901
   68    HG   LEU   9           HG       LEU   9  -1.876   0.623   3.280
   69   1HD1  LEU   9          1HD1      LEU   9  -4.413  -0.330   1.791
   70   2HD1  LEU   9          2HD1      LEU   9  -4.374   0.700   3.244
   71   3HD1  LEU   9          3HD1      LEU   9  -3.720   1.305   1.711
   72   1HD2  LEU   9          1HD2      LEU   9  -1.635  -1.757   4.029
   73   2HD2  LEU   9          2HD2      LEU   9  -3.215  -1.129   4.525
   74   3HD2  LEU   9          3HD2      LEU   9  -3.097  -2.222   3.124
   75   1HB1  AIB  10          1HB1      AIB  10   3.506  -0.930  -2.105
   76   2HB1  AIB  10          2HB1      AIB  10   2.925  -1.756  -3.549
   77   3HB1  AIB  10          3HB1      AIB  10   2.139  -0.259  -2.997
   78   1HB2  AIB  10          1HB2      AIB  10  -0.094  -1.249  -2.986
   79   2HB2  AIB  10          2HB2      AIB  10   0.621  -2.731  -3.671
   80   3HB2  AIB  10          3HB2      AIB  10  -0.423  -2.826  -2.239
   81    H    AIB  10           H        AIB  10   1.497  -0.294  -0.443
   82    HA   HYP  11           HA       HYP  11   3.956  -5.601  -0.843
   83   1HB   HYP  11          1HB       HYP  11   5.244  -5.316   1.579
   84   2HB   HYP  11          2HB       HYP  11   5.868  -4.681   0.046
   85   1HD   HYP  11          1HD       HYP  11   3.138  -1.935   0.790
   86   2HD   HYP  11          2HD       HYP  11   4.416  -1.808  -0.423
   87    HOD  HYP  11           HOD      HYP  11   6.693  -3.099   1.796
   88    HG   HYP  11           HG       HYP  11   4.391  -3.183   2.256
   89    H    GLN  12           H        GLN  12   1.624  -4.077   1.328
   90    HA   GLN  12           HA       GLN  12   0.844  -6.673   2.467
   91   1HB   GLN  12          1HB       GLN  12  -0.273  -3.884   3.052
   92   2HB   GLN  12          2HB       GLN  12  -0.972  -5.353   3.669
   93   1HG   GLN  12          1HG       GLN  12   0.265  -4.939   5.498
   94   2HG   GLN  12          2HG       GLN  12   1.433  -5.911   4.649
   95   1HE2  GLN  12          2HE2      GLN  12   0.538  -2.599   5.507
   96   2HE2  GLN  12          1HE2      GLN  12   2.214  -1.899   5.248
   97   1HB1  AIB  13          1HB1      AIB  13  -0.265  -5.646  -2.905
   98   2HB1  AIB  13          2HB1      AIB  13  -1.861  -6.188  -3.437
   99   3HB1  AIB  13          3HB1      AIB  13  -1.673  -4.660  -2.563
  100   1HB2  AIB  13          1HB2      AIB  13  -3.250  -5.090  -0.784
  101   2HB2  AIB  13          2HB2      AIB  13  -3.713  -6.486  -1.788
  102   3HB2  AIB  13          3HB2      AIB  13  -3.429  -6.705  -0.069
  103    H    AIB  13           H        AIB  13   0.268  -5.439  -0.549
  104    HA   HYP  14           HA       HYP  14  -0.467 -10.378  -2.729
  105   1HB   HYP  14          1HB       HYP  14   2.217 -10.954  -2.384
  106   2HB   HYP  14          2HB       HYP  14   1.584  -9.927  -3.678
  107   1HD   HYP  14          1HD       HYP  14   1.414  -7.076  -1.081
  108   2HD   HYP  14          2HD       HYP  14   1.178  -7.160  -2.832
  109    HOD  HYP  14           HOD      HYP  14   3.051  -7.991  -3.573
  110    HG   HYP  14           HG       HYP  14   2.677  -9.030  -0.941
  111   1HB1  AIB  15          1HB1      AIB  15   0.792  -9.451   2.916
  112   2HB1  AIB  15          2HB1      AIB  15   1.203 -10.907   3.835
  113   3HB1  AIB  15          3HB1      AIB  15   2.334 -10.240   2.647
  114   1HB2  AIB  15          1HB2      AIB  15   2.613 -12.275   1.312
  115   2HB2  AIB  15          2HB2      AIB  15   1.684 -13.114   2.572
  116   3HB2  AIB  15          3HB2      AIB  15   1.234 -13.301   0.868
  117    H    AIB  15           H        AIB  15   1.178  -9.669   0.409
  118    HA   PRO  16           HA       PRO  16  -3.406 -12.216   3.055
  119   1HB   PRO  16          1HB       PRO  16  -5.168 -10.188   2.468
  120   2HB   PRO  16          2HB       PRO  16  -4.070 -10.159   3.860
  121   1HG   PRO  16          1HG       PRO  16  -3.705  -8.791   1.156
  122   2HG   PRO  16          2HG       PRO  16  -3.452  -8.106   2.780
  123   1HD   PRO  16          1HD       PRO  16  -1.400  -9.132   1.172
  124   2HD   PRO  16          2HD       PRO  16  -1.286  -9.087   2.937
  125    H1   PHL  17           H1       PHL  17  -3.998 -12.579  -3.499
  126    H2   PHL  17           H2       PHL  17  -2.653 -12.726  -2.378
  127    HO   PHL  17           HO       PHL  17  -2.547 -10.425  -2.357
  128    HA   PHL  17           HA       PHL  17  -4.895 -12.946  -1.327
  129   1HB   PHL  17          1HB       PHL  17  -5.326  -9.953  -1.946
  130   2HB   PHL  17          2HB       PHL  17  -6.078 -11.259  -2.820
  131    HD1  PHL  17           HD1      PHL  17  -6.396  -9.146   0.107
  132    HD2  PHL  17           HD2      PHL  17  -7.590 -12.958  -1.498
  133    HE1  PHL  17           HE1      PHL  17  -8.226  -9.275   1.745
  134    HE2  PHL  17           HE2      PHL  17  -9.412 -13.069   0.151
  135    HZ   PHL  17           HZ       PHL  17  -9.739 -11.230   1.771
  136    H    PHL  17           H        PHL  17  -3.234 -10.591  -0.255
  137    H1   ACE   1           H1       ACE   1  -1.330  12.420   1.815
  138    H2   ACE   1           H2       ACE   1  -0.130  11.247   2.442
  139    H3   ACE   1           H3       ACE   1  -0.157  11.642   0.709
  Start of MODEL    8
    1    H    TRP   2           H        TRP   2  -3.013  11.343   0.261
    2    HA   TRP   2           HA       TRP   2  -3.903   8.574   0.694
    3   1HB   TRP   2          1HB       TRP   2  -5.417  10.411  -0.130
    4   2HB   TRP   2          2HB       TRP   2  -4.544  10.449  -1.648
    5    HD1  TRP   2           HD1      TRP   2  -6.588   7.851   0.545
    6    HE1  TRP   2           HE1      TRP   2  -7.959   6.193  -0.988
    7    HE3  TRP   2           HE3      TRP   2  -4.832   9.614  -3.911
    8    HZ2  TRP   2           HZ2      TRP   2  -8.168   5.880  -3.824
    9    HZ3  TRP   2           HZ3      TRP   2  -5.670   8.608  -6.009
   10    HH2  TRP   2           HH2      TRP   2  -7.313   6.775  -5.967
   11    H    ILE   3           H        ILE   3  -1.464  10.048  -1.411
   12    HA   ILE   3           HA       ILE   3  -1.002   7.606  -3.008
   13    HB   ILE   3           HB       ILE   3   0.777  10.064  -2.730
   14   1HG1  ILE   3          1HG1      ILE   3  -1.024   9.155  -5.081
   15   2HG1  ILE   3          2HG1      ILE   3  -1.481  10.375  -3.912
   16   1HG2  ILE   3          1HG2      ILE   3   1.144   7.690  -4.693
   17   2HG2  ILE   3          2HG2      ILE   3   2.075   9.210  -4.720
   18   3HG2  ILE   3          3HG2      ILE   3   2.232   8.117  -3.353
   19   1HD1  ILE   3          1HD1      ILE   3   0.806  10.669  -5.939
   20   2HD1  ILE   3          2HD1      ILE   3  -0.745  11.527  -5.900
   21   3HD1  ILE   3          3HD1      ILE   3   0.471  11.838  -4.634
   22    H    GLN   4           H        GLN   4   0.466   8.834  -0.060
   23    HA   GLN   4           HA       GLN   4   2.204   6.425   0.224
   24   1HB   GLN   4          1HB       GLN   4   1.724   8.708   2.186
   25   2HB   GLN   4          2HB       GLN   4   2.612   7.271   2.650
   26   1HG   GLN   4          1HG       GLN   4   3.387   9.065   0.290
   27   2HG   GLN   4          2HG       GLN   4   4.079   9.153   1.908
   28   1HE2  GLN   4          2HE2      GLN   4   5.194   8.431  -0.849
   29   2HE2  GLN   4          1HE2      GLN   4   6.160   6.913  -0.490
   30   1HB1  DIV   5          1HB1      DIV   5  -0.543   4.272   3.688
   31   2HB1  DIV   5          2HB1      DIV   5  -1.453   5.668   4.205
   32   1HG1  DIV   5          1HG1      DIV   5  -2.734   2.908   3.669
   33   2HG1  DIV   5          2HG1      DIV   5  -2.247   3.543   5.255
   34   3HG1  DIV   5          3HG1      DIV   5  -3.549   4.335   4.350
   35   1HB2  DIV   5          1HB2      DIV   5  -3.348   6.187   0.915
   36   2HB2  DIV   5          2HB2      DIV   5  -3.951   5.145   2.190
   37   3HB2  DIV   5          3HB2      DIV   5  -3.246   6.719   2.602
   38    H    DIV   5           H        DIV   5  -1.050   7.176   1.423
   39    H    ILE   6           H        ILE   6  -1.946   5.181  -0.534
   40    HA   ILE   6           HA       ILE   6  -2.131   2.413  -1.150
   41    HB   ILE   6           HB       ILE   6  -1.220   4.732  -2.932
   42   1HG1  ILE   6          1HG1      ILE   6  -3.987   3.364  -2.945
   43   2HG1  ILE   6          2HG1      ILE   6  -3.658   4.734  -1.912
   44   1HG2  ILE   6          1HG2      ILE   6  -2.065   1.902  -3.848
   45   2HG2  ILE   6          2HG2      ILE   6  -1.816   3.293  -4.932
   46   3HG2  ILE   6          3HG2      ILE   6  -0.454   2.636  -4.030
   47   1HD1  ILE   6          1HD1      ILE   6  -3.458   4.848  -4.985
   48   2HD1  ILE   6          2HD1      ILE   6  -4.753   5.500  -3.966
   49   3HD1  ILE   6          3HD1      ILE   6  -3.123   6.201  -3.871
   50    H    THR   7           H        THR   7   0.927   4.343  -1.568
   51    HA   THR   7           HA       THR   7   2.457   2.023  -2.346
   52    HB   THR   7           HB       THR   7   4.548   3.315  -1.967
   53    HG1  THR   7           HG1      THR   7   2.760   5.302  -1.055
   54   1HG2  THR   7          1HG2      THR   7   4.131   5.135  -3.618
   55   2HG2  THR   7          2HG2      THR   7   3.406   3.601  -4.148
   56   3HG2  THR   7          3HG2      THR   7   2.375   4.893  -3.481
   57   1HB1  AIB   8          1HB1      AIB   8   1.208   2.790   3.274
   58   2HB1  AIB   8          2HB1      AIB   8   2.378   2.059   4.381
   59   3HB1  AIB   8          3HB1      AIB   8   2.828   3.499   3.448
   60   1HB2  AIB   8          1HB2      AIB   8   4.912   2.233   2.532
   61   2HB2  AIB   8          2HB2      AIB   8   4.423   0.856   3.540
   62   3HB2  AIB   8          3HB2      AIB   8   4.723   0.620   1.814
   63    H    AIB   8           H        AIB   8   2.114   3.278   0.926
   64    H    LEU   9           H        LEU   9   0.453   1.167   1.119
   65    HA   LEU   9           HA       LEU   9  -0.037  -1.526   2.293
   66   1HB   LEU   9          1HB       LEU   9  -1.677   0.357   0.510
   67   2HB   LEU   9          2HB       LEU   9  -2.140  -1.296   0.705
   68    HG   LEU   9           HG       LEU   9  -1.897   0.652   3.063
   69   1HD1  LEU   9          1HD1      LEU   9  -4.419  -0.352   1.576
   70   2HD1  LEU   9          2HD1      LEU   9  -4.397   0.715   3.003
   71   3HD1  LEU   9          3HD1      LEU   9  -3.737   1.289   1.458
   72   1HD2  LEU   9          1HD2      LEU   9  -1.646  -1.711   3.859
   73   2HD2  LEU   9          2HD2      LEU   9  -3.233  -1.088   4.331
   74   3HD2  LEU   9          3HD2      LEU   9  -3.095  -2.203   2.951
   75   1HB1  AIB  10          1HB1      AIB  10   3.594  -0.927  -2.195
   76   2HB1  AIB  10          2HB1      AIB  10   3.055  -1.757  -3.653
   77   3HB1  AIB  10          3HB1      AIB  10   2.245  -0.265  -3.128
   78   1HB2  AIB  10          1HB2      AIB  10   0.014  -1.305  -3.192
   79   2HB2  AIB  10          2HB2      AIB  10   0.766  -2.796  -3.816
   80   3HB2  AIB  10          3HB2      AIB  10  -0.317  -2.866  -2.417
   81    H    AIB  10           H        AIB  10   1.483  -0.271  -0.611
   82    HA   HYP  11           HA       HYP  11   4.091  -5.554  -0.874
   83   1HB   HYP  11          1HB       HYP  11   5.306  -5.225   1.560
   84   2HB   HYP  11          2HB       HYP  11   5.932  -4.497   0.070
   85   1HD   HYP  11          1HD       HYP  11   3.076  -1.912   0.736
   86   2HD   HYP  11          2HD       HYP  11   4.414  -1.743  -0.401
   87    HOD  HYP  11           HOD      HYP  11   6.523  -2.903   2.085
   88    HG   HYP  11           HG       HYP  11   4.244  -3.181   2.257
   89    H    GLN  12           H        GLN  12   1.660  -4.072   1.173
   90    HA   GLN  12           HA       GLN  12   0.860  -6.673   2.310
   91   1HB   GLN  12          1HB       GLN  12  -0.164  -3.852   2.905
   92   2HB   GLN  12          2HB       GLN  12  -0.886  -5.303   3.578
   93   1HG   GLN  12          1HG       GLN  12   1.276  -5.951   4.678
   94   2HG   GLN  12          2HG       GLN  12   2.041  -4.493   4.061
   95   1HE2  GLN  12          2HE2      GLN  12   0.278  -5.748   6.651
   96   2HE2  GLN  12          1HE2      GLN  12  -0.167  -4.154   7.445
   97   1HB1  AIB  13          1HB1      AIB  13  -0.038  -5.865  -3.031
   98   2HB1  AIB  13          2HB1      AIB  13  -1.628  -6.376  -3.611
   99   3HB1  AIB  13          3HB1      AIB  13  -1.423  -4.811  -2.811
  100   1HB2  AIB  13          1HB2      AIB  13  -3.118  -5.109  -1.100
  101   2HB2  AIB  13          2HB2      AIB  13  -3.571  -6.558  -2.028
  102   3HB2  AIB  13          3HB2      AIB  13  -3.362  -6.664  -0.288
  103    H    AIB  13           H        AIB  13   0.390  -5.536  -0.689
  104    HA   HYP  14           HA       HYP  14  -0.339 -10.588  -2.496
  105   1HB   HYP  14          1HB       HYP  14   2.310 -11.165  -1.940
  106   2HB   HYP  14          2HB       HYP  14   1.779 -10.243  -3.356
  107   1HD   HYP  14          1HD       HYP  14   1.506  -7.149  -1.081
  108   2HD   HYP  14          2HD       HYP  14   1.365  -7.429  -2.817
  109    HOD  HYP  14           HOD      HYP  14   3.296  -8.417  -3.323
  110    HG   HYP  14           HG       HYP  14   2.672  -9.118  -0.625
  111   1HB1  AIB  15          1HB1      AIB  15   0.436  -9.145   3.097
  112   2HB1  AIB  15          2HB1      AIB  15   0.763 -10.501   4.191
  113   3HB1  AIB  15          3HB1      AIB  15   2.004  -9.926   3.061
  114   1HB2  AIB  15          1HB2      AIB  15   2.434 -12.078   1.968
  115   2HB2  AIB  15          2HB2      AIB  15   1.389 -12.814   3.200
  116   3HB2  AIB  15          3HB2      AIB  15   1.117 -13.165   1.484
  117    H    AIB  15           H        AIB  15   1.075  -9.597   0.672
  118    HA   PRO  16           HA       PRO  16  -3.749 -11.956   3.031
  119   1HB   PRO  16          1HB       PRO  16  -5.433 -10.023   2.029
  120   2HB   PRO  16          2HB       PRO  16  -4.530  -9.851   3.544
  121   1HG   PRO  16          1HG       PRO  16  -3.827  -8.720   0.804
  122   2HG   PRO  16          2HG       PRO  16  -3.781  -7.888   2.375
  123   1HD   PRO  16          1HD       PRO  16  -1.539  -9.021   1.137
  124   2HD   PRO  16          2HD       PRO  16  -1.637  -8.817   2.883
  125    H1   PHL  17           H1       PHL  17  -3.445 -12.731  -3.536
  126    H2   PHL  17           H2       PHL  17  -2.210 -12.508  -2.313
  127    HO   PHL  17           HO       PHL  17  -2.652 -10.233  -2.451
  128    HA   PHL  17           HA       PHL  17  -4.455 -13.185  -1.454
  129   1HB   PHL  17          1HB       PHL  17  -5.503 -10.327  -1.981
  130   2HB   PHL  17          2HB       PHL  17  -5.680 -11.567  -3.182
  131    HD1  PHL  17           HD1      PHL  17  -7.039 -13.645  -2.759
  132    HD2  PHL  17           HD2      PHL  17  -6.948 -10.418   0.088
  133    HE1  PHL  17           HE1      PHL  17  -9.033 -14.557  -1.651
  134    HE2  PHL  17           HE2      PHL  17  -8.945 -11.350   1.188
  135    HZ   PHL  17           HZ       PHL  17  -9.991 -13.417   0.321
  136    H    PHL  17           H        PHL  17  -3.330 -10.556  -0.365
  137    H1   ACE   1           H1       ACE   1  -1.710  12.338   2.041
  138    H2   ACE   1           H2       ACE   1  -0.467  11.248   2.731
  139    H3   ACE   1           H3       ACE   1  -0.451  11.618   0.991
  Start of MODEL    9
    1    H    TRP   2           H        TRP   2  -3.042  11.519  -0.027
    2    HA   TRP   2           HA       TRP   2  -3.882   8.751   0.425
    3   1HB   TRP   2          1HB       TRP   2  -5.307   8.884  -1.430
    4   2HB   TRP   2          2HB       TRP   2  -5.420  10.393  -0.578
    5    HD1  TRP   2           HD1      TRP   2  -4.579   8.894  -3.993
    6    HE1  TRP   2           HE1      TRP   2  -4.250  10.741  -5.850
    7    HE3  TRP   2           HE3      TRP   2  -4.433  12.885  -0.812
    8    HZ2  TRP   2           HZ2      TRP   2  -3.969  13.587  -5.748
    9    HZ3  TRP   2           HZ3      TRP   2  -4.133  15.151  -1.752
   10    HH2  TRP   2           HH2      TRP   2  -3.913  15.498  -4.178
   11    H    ILE   3           H        ILE   3  -1.387  10.155  -1.617
   12    HA   ILE   3           HA       ILE   3  -0.719   7.623  -2.972
   13    HB   ILE   3           HB       ILE   3   1.349   8.714  -3.795
   14   1HG1  ILE   3          1HG1      ILE   3   0.367  11.292  -2.413
   15   2HG1  ILE   3          2HG1      ILE   3   1.708  10.315  -1.846
   16   1HG2  ILE   3          1HG2      ILE   3  -1.203  10.345  -4.360
   17   2HG2  ILE   3          2HG2      ILE   3   0.205  10.159  -5.430
   18   3HG2  ILE   3          3HG2      ILE   3  -0.820   8.763  -5.068
   19   1HD1  ILE   3          1HD1      ILE   3   1.636  11.828  -4.527
   20   2HD1  ILE   3          2HD1      ILE   3   2.614  12.203  -3.091
   21   3HD1  ILE   3          3HD1      ILE   3   2.952  10.727  -4.030
   22    H    GLN   4           H        GLN   4   0.470   9.059  -0.029
   23    HA   GLN   4           HA       GLN   4   2.495   6.933   0.492
   24   1HB   GLN   4          1HB       GLN   4   1.248   9.085   2.292
   25   2HB   GLN   4          2HB       GLN   4   2.292   7.860   2.953
   26   1HG   GLN   4          1HG       GLN   4   4.197   8.801   2.270
   27   2HG   GLN   4          2HG       GLN   4   3.681   8.939   0.611
   28   1HE2  GLN   4          2HE2      GLN   4   4.290  10.712   3.454
   29   2HE2  GLN   4          1HE2      GLN   4   3.693  12.333   2.830
   30   1HB1  DIV   5          1HB1      DIV   5  -0.309   4.616   3.830
   31   2HB1  DIV   5          2HB1      DIV   5  -1.254   6.012   4.287
   32   1HG1  DIV   5          1HG1      DIV   5  -2.474   3.194   3.912
   33   2HG1  DIV   5          2HG1      DIV   5  -1.985   3.929   5.455
   34   3HG1  DIV   5          3HG1      DIV   5  -3.314   4.645   4.520
   35   1HB2  DIV   5          1HB2      DIV   5  -3.142   6.429   1.017
   36   2HB2  DIV   5          2HB2      DIV   5  -3.764   5.359   2.267
   37   3HB2  DIV   5          3HB2      DIV   5  -3.076   6.935   2.715
   38    H    DIV   5           H        DIV   5  -0.884   7.405   1.520
   39    H    ILE   6           H        ILE   6  -1.862   5.270  -0.423
   40    HA   ILE   6           HA       ILE   6  -2.135   2.447  -0.662
   41    HB   ILE   6           HB       ILE   6  -3.210   4.009  -2.177
   42   1HG1  ILE   6          1HG1      ILE   6  -1.678   1.869  -3.759
   43   2HG1  ILE   6          2HG1      ILE   6  -2.906   1.465  -2.577
   44   1HG2  ILE   6          1HG2      ILE   6  -0.574   4.183  -3.779
   45   2HG2  ILE   6          2HG2      ILE   6  -2.139   4.932  -4.186
   46   3HG2  ILE   6          3HG2      ILE   6  -1.232   5.487  -2.769
   47   1HD1  ILE   6          1HD1      ILE   6  -3.435   3.162  -5.098
   48   2HD1  ILE   6          2HD1      ILE   6  -3.906   1.471  -4.826
   49   3HD1  ILE   6          3HD1      ILE   6  -4.648   2.761  -3.852
   50    H    THR   7           H        THR   7   0.853   4.363  -1.314
   51    HA   THR   7           HA       THR   7   2.428   2.107  -2.280
   52    HB   THR   7           HB       THR   7   3.460   4.643  -0.885
   53    HG1  THR   7           HG1      THR   7   3.727   5.291  -3.038
   54   1HG2  THR   7          1HG2      THR   7   5.556   4.273  -2.244
   55   2HG2  THR   7          2HG2      THR   7   5.328   2.966  -1.064
   56   3HG2  THR   7          3HG2      THR   7   4.937   2.692  -2.782
   57   1HB1  AIB   8          1HB1      AIB   8   0.972   2.763   3.235
   58   2HB1  AIB   8          2HB1      AIB   8   2.001   1.942   4.422
   59   3HB1  AIB   8          3HB1      AIB   8   2.606   3.372   3.562
   60   1HB2  AIB   8          1HB2      AIB   8   4.674   2.118   2.751
   61   2HB2  AIB   8          2HB2      AIB   8   4.122   0.718   3.691
   62   3HB2  AIB   8          3HB2      AIB   8   4.529   0.524   1.977
   63    H    AIB   8           H        AIB   8   1.940   3.188   1.011
   64    H    LEU   9           H        LEU   9   0.339   1.163   1.049
   65    HA   LEU   9           HA       LEU   9  -0.363  -1.529   2.120
   66   1HB   LEU   9          1HB       LEU   9  -1.849   0.670   0.734
   67   2HB   LEU   9          2HB       LEU   9  -2.282  -0.931   0.238
   68    HG   LEU   9           HG       LEU   9  -2.162  -0.339   3.232
   69   1HD1  LEU   9          1HD1      LEU   9  -4.579   0.261   1.401
   70   2HD1  LEU   9          2HD1      LEU   9  -4.581   0.282   3.185
   71   3HD1  LEU   9          3HD1      LEU   9  -3.605   1.462   2.290
   72   1HD2  LEU   9          1HD2      LEU   9  -2.439  -2.750   2.443
   73   2HD2  LEU   9          2HD2      LEU   9  -3.845  -2.183   3.349
   74   3HD2  LEU   9          3HD2      LEU   9  -3.910  -2.296   1.570
   75   1HB1  AIB  10          1HB1      AIB  10   3.360  -0.842  -2.256
   76   2HB1  AIB  10          2HB1      AIB  10   2.892  -1.692  -3.725
   77   3HB1  AIB  10          3HB1      AIB  10   2.006  -0.241  -3.212
   78   1HB2  AIB  10          1HB2      AIB  10  -0.198  -1.343  -3.280
   79   2HB2  AIB  10          2HB2      AIB  10   0.632  -2.769  -3.957
   80   3HB2  AIB  10          3HB2      AIB  10  -0.459  -2.953  -2.572
   81    H    AIB  10           H        AIB  10   1.385  -0.339  -0.634
   82    HA   HYP  11           HA       HYP  11   3.985  -5.511  -0.917
   83   1HB   HYP  11          1HB       HYP  11   5.147  -5.112   1.529
   84   2HB   HYP  11          2HB       HYP  11   5.798  -4.389   0.047
   85   1HD   HYP  11          1HD       HYP  11   2.971  -1.760   0.526
   86   2HD   HYP  11          2HD       HYP  11   4.340  -1.770  -0.586
   87    HOD  HYP  11           HOD      HYP  11   6.192  -2.717   2.221
   88    HG   HYP  11           HG       HYP  11   3.958  -3.092   2.137
   89    H    GLN  12           H        GLN  12   1.491  -4.003   1.014
   90    HA   GLN  12           HA       GLN  12   0.808  -6.483   2.431
   91   1HB   GLN  12          1HB       GLN  12  -0.535  -3.753   2.476
   92   2HB   GLN  12          2HB       GLN  12  -1.061  -5.123   3.434
   93   1HG   GLN  12          1HG       GLN  12   1.152  -5.182   4.630
   94   2HG   GLN  12          2HG       GLN  12   1.699  -3.784   3.711
   95   1HE2  GLN  12          2HE2      GLN  12   0.459  -4.574   6.624
   96   2HE2  GLN  12          1HE2      GLN  12  -0.356  -2.981   7.032
   97   1HB1  AIB  13          1HB1      AIB  13  -0.187  -6.025  -3.070
   98   2HB1  AIB  13          2HB1      AIB  13  -1.753  -6.640  -3.610
   99   3HB1  AIB  13          3HB1      AIB  13  -1.620  -5.037  -2.859
  100   1HB2  AIB  13          1HB2      AIB  13  -3.295  -5.397  -1.130
  101   2HB2  AIB  13          2HB2      AIB  13  -3.655  -6.915  -1.982
  102   3HB2  AIB  13          3HB2      AIB  13  -3.411  -6.927  -0.238
  103    H    AIB  13           H        AIB  13   0.204  -5.501  -0.747
  104    HA   HYP  14           HA       HYP  14  -0.208 -10.697  -2.487
  105   1HB   HYP  14          1HB       HYP  14   2.464 -11.151  -1.929
  106   2HB   HYP  14          2HB       HYP  14   1.885 -10.240  -3.336
  107   1HD   HYP  14          1HD       HYP  14   1.450  -7.201  -1.009
  108   2HD   HYP  14          2HD       HYP  14   1.324  -7.452  -2.750
  109    HOD  HYP  14           HOD      HYP  14   3.285  -8.296  -3.285
  110    HG   HYP  14           HG       HYP  14   2.743  -9.101  -0.600
  111   1HB1  AIB  15          1HB1      AIB  15   0.576  -9.363   3.146
  112   2HB1  AIB  15          2HB1      AIB  15   0.973 -10.736   4.194
  113   3HB1  AIB  15          3HB1      AIB  15   2.167 -10.086   3.059
  114   1HB2  AIB  15          1HB2      AIB  15   2.662 -12.167   1.871
  115   2HB2  AIB  15          2HB2      AIB  15   1.692 -12.978   3.118
  116   3HB2  AIB  15          3HB2      AIB  15   1.383 -13.304   1.404
  117    H    AIB  15           H        AIB  15   1.151  -9.704   0.708
  118    HA   PRO  16           HA       PRO  16  -3.493 -12.400   3.086
  119   1HB   PRO  16          1HB       PRO  16  -5.286 -10.464   2.325
  120   2HB   PRO  16          2HB       PRO  16  -4.282 -10.332   3.778
  121   1HG   PRO  16          1HG       PRO  16  -3.802  -9.042   1.048
  122   2HG   PRO  16          2HG       PRO  16  -3.691  -8.284   2.653
  123   1HD   PRO  16          1HD       PRO  16  -1.497  -9.292   1.223
  124   2HD   PRO  16          2HD       PRO  16  -1.498  -9.141   2.986
  125    H1   PHL  17           H1       PHL  17  -2.151 -12.958  -2.102
  126    H2   PHL  17           H2       PHL  17  -2.514 -11.361  -2.769
  127    HO   PHL  17           HO       PHL  17  -3.956 -12.341  -4.182
  128    HA   PHL  17           HA       PHL  17  -4.565 -13.231  -1.437
  129   1HB   PHL  17          1HB       PHL  17  -4.910 -10.198  -1.981
  130   2HB   PHL  17          2HB       PHL  17  -5.394 -11.396  -3.143
  131    HD1  PHL  17           HD1      PHL  17  -7.215 -13.087  -2.619
  132    HD2  PHL  17           HD2      PHL  17  -6.352  -9.816   0.041
  133    HE1  PHL  17           HE1      PHL  17  -9.385 -13.407  -1.509
  134    HE2  PHL  17           HE2      PHL  17  -8.530 -10.154   1.141
  135    HZ   PHL  17           HZ       PHL  17 -10.047 -11.947   0.371
  136    H    PHL  17           H        PHL  17  -3.027 -10.872  -0.195
  137    H1   ACE   1           H1       ACE   1  -1.829  12.625   1.627
  138    H2   ACE   1           H2       ACE   1  -0.697  11.634   2.598
  139    H3   ACE   1           H3       ACE   1  -0.418  11.837   0.855
  Start of MODEL   10
    1    H    TRP   2           H        TRP   2  -3.376  11.178   0.028
    2    HA   TRP   2           HA       TRP   2  -4.228   8.388   0.352
    3   1HB   TRP   2          1HB       TRP   2  -5.631  10.175  -0.786
    4   2HB   TRP   2          2HB       TRP   2  -4.524  10.159  -2.144
    5    HD1  TRP   2           HD1      TRP   2  -4.753   8.092  -3.900
    6    HE1  TRP   2           HE1      TRP   2  -6.427   6.083  -4.258
    7    HE3  TRP   2           HE3      TRP   2  -7.106   8.501   0.610
    8    HZ2  TRP   2           HZ2      TRP   2  -8.505   4.958  -2.640
    9    HZ3  TRP   2           HZ3      TRP   2  -8.931   6.923   1.155
   10    HH2  TRP   2           HH2      TRP   2  -9.623   5.184  -0.445
   11    H    ILE   3           H        ILE   3  -1.686   9.963  -1.624
   12    HA   ILE   3           HA       ILE   3  -0.995   7.512  -3.036
   13    HB   ILE   3           HB       ILE   3  -0.595   9.844  -3.872
   14   1HG1  ILE   3          1HG1      ILE   3   0.166   7.832  -5.073
   15   2HG1  ILE   3          2HG1      ILE   3   0.987   9.326  -5.440
   16   1HG2  ILE   3          1HG2      ILE   3   2.024   9.840  -2.269
   17   2HG2  ILE   3          2HG2      ILE   3   1.506  11.041  -3.476
   18   3HG2  ILE   3          3HG2      ILE   3   0.606  10.868  -1.953
   19   1HD1  ILE   3          1HD1      ILE   3   2.229   7.099  -3.696
   20   2HD1  ILE   3          2HD1      ILE   3   2.553   7.388  -5.416
   21   3HD1  ILE   3          3HD1      ILE   3   3.035   8.602  -4.213
   22    H    GLN   4           H        GLN   4   0.420   8.887  -0.145
   23    HA   GLN   4           HA       GLN   4   2.276   6.591   0.250
   24   1HB   GLN   4          1HB       GLN   4   1.602   8.992   1.982
   25   2HB   GLN   4          2HB       GLN   4   2.367   7.614   2.734
   26   1HG   GLN   4          1HG       GLN   4   3.546   8.915   0.215
   27   2HG   GLN   4          2HG       GLN   4   3.906   9.466   1.850
   28   1HE2  GLN   4          2HE2      GLN   4   6.089   8.961   0.866
   29   2HE2  GLN   4          1HE2      GLN   4   6.754   7.292   1.247
   30   1HB1  DIV   5          1HB1      DIV   5  -0.338   4.395   3.765
   31   2HB1  DIV   5          2HB1      DIV   5  -1.285   5.771   4.258
   32   1HG1  DIV   5          1HG1      DIV   5  -2.480   2.946   3.897
   33   2HG1  DIV   5          2HG1      DIV   5  -1.937   3.660   5.427
   34   3HG1  DIV   5          3HG1      DIV   5  -3.311   4.374   4.561
   35   1HB2  DIV   5          1HB2      DIV   5  -3.291   6.145   1.037
   36   2HB2  DIV   5          2HB2      DIV   5  -3.834   5.057   2.312
   37   3HB2  DIV   5          3HB2      DIV   5  -3.188   6.653   2.734
   38    H    DIV   5           H        DIV   5  -1.020   7.196   1.445
   39    H    ILE   6           H        ILE   6  -1.890   5.080  -0.449
   40    HA   ILE   6           HA       ILE   6  -2.073   2.256  -0.869
   41    HB   ILE   6           HB       ILE   6  -1.463   4.507  -2.843
   42   1HG1  ILE   6          1HG1      ILE   6  -3.693   4.803  -1.893
   43   2HG1  ILE   6          2HG1      ILE   6  -3.787   4.390  -3.579
   44   1HG2  ILE   6          1HG2      ILE   6  -2.153   1.603  -3.590
   45   2HG2  ILE   6          2HG2      ILE   6  -2.151   2.983  -4.721
   46   3HG2  ILE   6          3HG2      ILE   6  -0.648   2.480  -3.945
   47   1HD1  ILE   6          1HD1      ILE   6  -4.413   2.475  -1.229
   48   2HD1  ILE   6          2HD1      ILE   6  -5.579   3.257  -2.319
   49   3HD1  ILE   6          3HD1      ILE   6  -4.481   2.010  -2.950
   50    H    THR   7           H        THR   7   0.866   4.294  -1.508
   51    HA   THR   7           HA       THR   7   2.443   1.983  -2.323
   52    HB   THR   7           HB       THR   7   4.500   3.400  -2.046
   53    HG1  THR   7           HG1      THR   7   2.612   5.391  -1.377
   54   1HG2  THR   7          1HG2      THR   7   3.971   4.981  -3.887
   55   2HG2  THR   7          2HG2      THR   7   3.278   3.380  -4.224
   56   3HG2  THR   7          3HG2      THR   7   2.228   4.703  -3.665
   57   1HB1  AIB   8          1HB1      AIB   8   1.333   2.914   3.286
   58   2HB1  AIB   8          2HB1      AIB   8   2.534   2.225   4.386
   59   3HB1  AIB   8          3HB1      AIB   8   2.946   3.649   3.412
   60   1HB2  AIB   8          1HB2      AIB   8   5.022   2.413   2.494
   61   2HB2  AIB   8          2HB2      AIB   8   4.580   1.045   3.536
   62   3HB2  AIB   8          3HB2      AIB   8   4.862   0.781   1.811
   63    H    AIB   8           H        AIB   8   2.158   3.348   0.910
   64    H    LEU   9           H        LEU   9   0.562   1.220   1.174
   65    HA   LEU   9           HA       LEU   9   0.136  -1.450   2.424
   66   1HB   LEU   9          1HB       LEU   9  -1.556   0.381   0.640
   67   2HB   LEU   9          2HB       LEU   9  -1.980  -1.287   0.797
   68    HG   LEU   9           HG       LEU   9  -1.807   0.610   3.199
   69   1HD1  LEU   9          1HD1      LEU   9  -4.275  -0.420   1.643
   70   2HD1  LEU   9          2HD1      LEU   9  -4.313   0.594   3.107
   71   3HD1  LEU   9          3HD1      LEU   9  -3.643   1.244   1.597
   72   1HD2  LEU   9          1HD2      LEU   9  -1.503  -1.751   3.956
   73   2HD2  LEU   9          2HD2      LEU   9  -3.126  -1.204   4.395
   74   3HD2  LEU   9          3HD2      LEU   9  -2.905  -2.281   2.996
   75   1HB1  AIB  10          1HB1      AIB  10   3.832  -1.062  -1.956
   76   2HB1  AIB  10          2HB1      AIB  10   3.295  -1.834  -3.448
   77   3HB1  AIB  10          3HB1      AIB  10   2.556  -0.308  -2.918
   78   1HB2  AIB  10          1HB2      AIB  10   0.254  -1.216  -3.052
   79   2HB2  AIB  10          2HB2      AIB  10   0.949  -2.723  -3.701
   80   3HB2  AIB  10          3HB2      AIB  10  -0.170  -2.780  -2.327
   81    H    AIB  10           H        AIB  10   1.672  -0.279  -0.478
   82    HA   HYP  11           HA       HYP  11   4.063  -5.720  -0.766
   83   1HB   HYP  11          1HB       HYP  11   5.232  -5.536   1.709
   84   2HB   HYP  11          2HB       HYP  11   5.923  -4.786   0.261
   85   1HD   HYP  11          1HD       HYP  11   3.143  -2.125   0.968
   86   2HD   HYP  11          2HD       HYP  11   4.509  -1.916  -0.128
   87    HOD  HYP  11           HOD      HYP  11   6.566  -3.300   2.292
   88    HG   HYP  11           HG       HYP  11   4.259  -3.464   2.456
   89    H    GLN  12           H        GLN  12   1.665  -4.185   1.278
   90    HA   GLN  12           HA       GLN  12   0.696  -6.769   2.313
   91   1HB   GLN  12          1HB       GLN  12  -0.005  -3.876   3.005
   92   2HB   GLN  12          2HB       GLN  12  -1.012  -5.185   3.554
   93   1HG   GLN  12          1HG       GLN  12   1.984  -4.997   4.206
   94   2HG   GLN  12          2HG       GLN  12   0.690  -4.377   5.224
   95   1HE2  GLN  12          2HE2      GLN  12   2.406  -6.095   6.312
   96   2HE2  GLN  12          1HE2      GLN  12   1.572  -7.698   6.629
   97   1HB1  AIB  13          1HB1      AIB  13  -0.148  -5.646  -3.014
   98   2HB1  AIB  13          2HB1      AIB  13  -1.745  -6.120  -3.603
   99   3HB1  AIB  13          3HB1      AIB  13  -1.522  -4.598  -2.724
  100   1HB2  AIB  13          1HB2      AIB  13  -3.216  -4.989  -1.007
  101   2HB2  AIB  13          2HB2      AIB  13  -3.666  -6.364  -2.045
  102   3HB2  AIB  13          3HB2      AIB  13  -3.466  -6.605  -0.317
  103    H    AIB  13           H        AIB  13   0.317  -5.479  -0.649
  104    HA   HYP  14           HA       HYP  14  -0.525 -10.404  -2.672
  105   1HB   HYP  14          1HB       HYP  14   2.132 -11.037  -2.267
  106   2HB   HYP  14          2HB       HYP  14   1.550 -10.046  -3.616
  107   1HD   HYP  14          1HD       HYP  14   1.425  -7.067  -1.166
  108   2HD   HYP  14          2HD       HYP  14   1.221  -7.236  -2.913
  109    HOD  HYP  14           HOD      HYP  14   3.087  -8.249  -3.595
  110    HG   HYP  14           HG       HYP  14   2.614  -9.056  -0.898
  111   1HB1  AIB  15          1HB1      AIB  15   0.660  -9.293   2.997
  112   2HB1  AIB  15          2HB1      AIB  15   1.009 -10.747   3.950
  113   3HB1  AIB  15          3HB1      AIB  15   2.182 -10.132   2.771
  114   1HB2  AIB  15          1HB2      AIB  15   2.438 -12.181   1.473
  115   2HB2  AIB  15          2HB2      AIB  15   1.468 -12.987   2.725
  116   3HB2  AIB  15          3HB2      AIB  15   1.048 -13.186   1.017
  117    H    AIB  15           H        AIB  15   0.967  -9.518   0.519
  118    HA   PRO  16           HA       PRO  16  -3.621 -12.005   3.071
  119   1HB   PRO  16          1HB       PRO  16  -5.325  -9.932   2.488
  120   2HB   PRO  16          2HB       PRO  16  -4.240  -9.929   3.889
  121   1HG   PRO  16          1HG       PRO  16  -3.837  -8.536   1.208
  122   2HG   PRO  16          2HG       PRO  16  -3.554  -7.887   2.837
  123   1HD   PRO  16          1HD       PRO  16  -1.560  -8.974   1.169
  124   2HD   PRO  16          2HD       PRO  16  -1.399  -8.878   2.932
  125    H1   PHL  17           H1       PHL  17  -2.808 -12.797  -2.032
  126    H2   PHL  17           H2       PHL  17  -2.789 -11.185  -2.762
  127    HO   PHL  17           HO       PHL  17  -4.498 -11.845  -4.095
  128    HA   PHL  17           HA       PHL  17  -5.219 -12.441  -1.342
  129   1HB   PHL  17          1HB       PHL  17  -4.753  -9.532  -2.274
  130   2HB   PHL  17          2HB       PHL  17  -5.808 -10.687  -3.039
  131    HD1  PHL  17           HD1      PHL  17  -5.693  -8.101  -0.540
  132    HD2  PHL  17           HD2      PHL  17  -7.776 -11.721  -1.581
  133    HE1  PHL  17           HE1      PHL  17  -7.582  -7.439   0.891
  134    HE2  PHL  17           HE2      PHL  17  -9.651 -11.045  -0.141
  135    HZ   PHL  17           HZ       PHL  17  -9.560  -8.907   1.096
  136    H    PHL  17           H        PHL  17  -3.260 -10.366  -0.168
  137    H1   ACE   1           H1       ACE   1  -2.238  12.246   1.774
  138    H2   ACE   1           H2       ACE   1  -1.218  11.215   2.826
  139    H3   ACE   1           H3       ACE   1  -0.800  11.413   1.107
  Start of MODEL   11
    1    H    TRP   2           H        TRP   2  -3.003  11.306  -0.315
    2    HA   TRP   2           HA       TRP   2  -4.028   8.627   0.293
    3   1HB   TRP   2          1HB       TRP   2  -5.594   8.828  -1.320
    4   2HB   TRP   2          2HB       TRP   2  -5.395  10.477  -0.827
    5    HD1  TRP   2           HD1      TRP   2  -5.573   8.287  -3.825
    6    HE1  TRP   2           HE1      TRP   2  -4.965   9.464  -6.101
    7    HE3  TRP   2           HE3      TRP   2  -3.451  12.462  -1.771
    8    HZ2  TRP   2           HZ2      TRP   2  -3.613  11.891  -6.742
    9    HZ3  TRP   2           HZ3      TRP   2  -2.450  14.147  -3.280
   10    HH2  TRP   2           HH2      TRP   2  -2.529  13.864  -5.723
   11    H    ILE   3           H        ILE   3  -1.576   9.813  -1.964
   12    HA   ILE   3           HA       ILE   3  -1.014   7.200  -3.171
   13    HB   ILE   3           HB       ILE   3   0.767   9.676  -3.056
   14   1HG1  ILE   3          1HG1      ILE   3  -1.234  10.251  -4.296
   15   2HG1  ILE   3          2HG1      ILE   3   0.113  10.138  -5.393
   16   1HG2  ILE   3          1HG2      ILE   3   1.170   7.183  -4.816
   17   2HG2  ILE   3          2HG2      ILE   3   2.038   8.724  -5.017
   18   3HG2  ILE   3          3HG2      ILE   3   2.250   7.780  -3.536
   19   1HD1  ILE   3          1HD1      ILE   3  -2.122   8.015  -5.081
   20   2HD1  ILE   3          2HD1      ILE   3  -1.920   9.159  -6.423
   21   3HD1  ILE   3          3HD1      ILE   3  -0.734   7.852  -6.191
   22    H    GLN   4           H        GLN   4   0.182   8.633  -0.207
   23    HA   GLN   4           HA       GLN   4   2.021   6.302   0.248
   24   1HB   GLN   4          1HB       GLN   4   1.491   8.658   2.122
   25   2HB   GLN   4          2HB       GLN   4   2.489   7.281   2.530
   26   1HG   GLN   4          1HG       GLN   4   3.023   9.275   0.272
   27   2HG   GLN   4          2HG       GLN   4   3.874   9.151   1.807
   28   1HE2  GLN   4          2HE2      GLN   4   4.373   8.565  -1.314
   29   2HE2  GLN   4          1HE2      GLN   4   5.518   7.139  -1.177
   30   1HB1  DIV   5          1HB1      DIV   5  -0.854   4.420   3.837
   31   2HB1  DIV   5          2HB1      DIV   5  -1.687   5.909   4.203
   32   1HG1  DIV   5          1HG1      DIV   5  -3.214   3.258   3.797
   33   2HG1  DIV   5          2HG1      DIV   5  -2.621   3.837   5.372
   34   3HG1  DIV   5          3HG1      DIV   5  -3.838   4.774   4.481
   35   1HB2  DIV   5          1HB2      DIV   5  -3.504   6.190   0.822
   36   2HB2  DIV   5          2HB2      DIV   5  -4.179   5.219   2.116
   37   3HB2  DIV   5          3HB2      DIV   5  -3.485   6.811   2.483
   38    H    DIV   5           H        DIV   5  -1.230   7.184   1.350
   39    H    ILE   6           H        ILE   6  -2.115   4.966  -0.510
   40    HA   ILE   6           HA       ILE   6  -2.123   2.093  -0.713
   41    HB   ILE   6           HB       ILE   6  -1.783   4.254  -2.846
   42   1HG1  ILE   6          1HG1      ILE   6  -3.974   3.043  -3.702
   43   2HG1  ILE   6          2HG1      ILE   6  -4.026   2.241  -2.146
   44   1HG2  ILE   6          1HG2      ILE   6  -1.769   1.224  -3.438
   45   2HG2  ILE   6          2HG2      ILE   6  -1.930   2.524  -4.646
   46   3HG2  ILE   6          3HG2      ILE   6  -0.436   2.366  -3.729
   47   1HD1  ILE   6          1HD1      ILE   6  -4.166   5.300  -2.618
   48   2HD1  ILE   6          2HD1      ILE   6  -5.544   4.232  -2.301
   49   3HD1  ILE   6          3HD1      ILE   6  -4.342   4.506  -1.024
   50    H    THR   7           H        THR   7   0.706   4.260  -1.362
   51    HA   THR   7           HA       THR   7   2.443   2.085  -2.100
   52    HB   THR   7           HB       THR   7   3.304   4.819  -1.024
   53    HG1  THR   7           HG1      THR   7   3.415   5.264  -3.233
   54   1HG2  THR   7          1HG2      THR   7   5.352   4.503  -2.451
   55   2HG2  THR   7          2HG2      THR   7   5.315   3.340  -1.108
   56   3HG2  THR   7          3HG2      THR   7   4.888   2.808  -2.759
   57   1HB1  AIB   8          1HB1      AIB   8   1.040   2.795   3.456
   58   2HB1  AIB   8          2HB1      AIB   8   2.242   2.203   4.613
   59   3HB1  AIB   8          3HB1      AIB   8   2.554   3.690   3.700
   60   1HB2  AIB   8          1HB2      AIB   8   4.782   2.787   2.834
   61   2HB2  AIB   8          2HB2      AIB   8   4.512   1.340   3.830
   62   3HB2  AIB   8          3HB2      AIB   8   4.886   1.171   2.109
   63    H    AIB   8           H        AIB   8   1.944   3.361   1.147
   64    H    LEU   9           H        LEU   9   0.458   1.117   1.557
   65    HA   LEU   9           HA       LEU   9   0.432  -1.687   2.536
   66   1HB   LEU   9          1HB       LEU   9  -1.602   0.098   1.087
   67   2HB   LEU   9          2HB       LEU   9  -1.721  -1.621   0.922
   68    HG   LEU   9           HG       LEU   9  -1.608  -1.788   3.526
   69   1HD1  LEU   9          1HD1      LEU   9  -2.647   1.102   3.314
   70   2HD1  LEU   9          2HD1      LEU   9  -2.593   0.102   4.781
   71   3HD1  LEU   9          3HD1      LEU   9  -1.081   0.633   4.022
   72   1HD2  LEU   9          1HD2      LEU   9  -3.596  -2.414   2.151
   73   2HD2  LEU   9          2HD2      LEU   9  -4.103  -1.613   3.649
   74   3HD2  LEU   9          3HD2      LEU   9  -4.138  -0.717   2.108
   75   1HB1  AIB  10          1HB1      AIB  10   3.914  -0.768  -1.900
   76   2HB1  AIB  10          2HB1      AIB  10   3.438  -1.533  -3.417
   77   3HB1  AIB  10          3HB1      AIB  10   2.599  -0.082  -2.845
   78   1HB2  AIB  10          1HB2      AIB  10   0.359  -1.001  -2.916
   79   2HB2  AIB  10          2HB2      AIB  10   1.060  -2.440  -3.701
   80   3HB2  AIB  10          3HB2      AIB  10  -0.013  -2.624  -2.297
   81    H    AIB  10           H        AIB  10   1.768  -0.228  -0.344
   82    HA   HYP  11           HA       HYP  11   4.358  -5.572  -1.150
   83   1HB   HYP  11          1HB       HYP  11   5.698  -5.514   1.240
   84   2HB   HYP  11          2HB       HYP  11   6.261  -4.645  -0.193
   85   1HD   HYP  11          1HD       HYP  11   3.414  -2.186   0.918
   86   2HD   HYP  11          2HD       HYP  11   4.685  -1.765  -0.223
   87    HOD  HYP  11           HOD      HYP  11   6.982  -3.221   1.932
   88    HG   HYP  11           HG       HYP  11   4.743  -3.529   2.208
   89    H    GLN  12           H        GLN  12   2.123  -4.196   1.198
   90    HA   GLN  12           HA       GLN  12   1.319  -6.825   2.244
   91   1HB   GLN  12          1HB       GLN  12   0.448  -3.996   3.045
   92   2HB   GLN  12          2HB       GLN  12  -0.178  -5.464   3.774
   93   1HG   GLN  12          1HG       GLN  12   2.114  -6.103   4.574
   94   2HG   GLN  12          2HG       GLN  12   2.771  -4.609   3.908
   95   1HE2  GLN  12          2HE2      GLN  12   3.010  -5.274   6.576
   96   2HE2  GLN  12          1HE2      GLN  12   2.060  -4.056   7.564
   97   1HB1  AIB  13          1HB1      AIB  13  -0.193  -5.566  -2.924
   98   2HB1  AIB  13          2HB1      AIB  13  -1.895  -5.847  -3.316
   99   3HB1  AIB  13          3HB1      AIB  13  -1.397  -4.386  -2.444
  100   1HB2  AIB  13          1HB2      AIB  13  -2.894  -4.652  -0.527
  101   2HB2  AIB  13          2HB2      AIB  13  -3.619  -5.941  -1.514
  102   3HB2  AIB  13          3HB2      AIB  13  -3.215  -6.248   0.169
  103    H    AIB  13           H        AIB  13   0.536  -5.374  -0.631
  104    HA   HYP  14           HA       HYP  14  -0.927 -10.190  -2.773
  105   1HB   HYP  14          1HB       HYP  14   1.673 -11.126  -2.547
  106   2HB   HYP  14          2HB       HYP  14   1.113 -10.022  -3.812
  107   1HD   HYP  14          1HD       HYP  14   1.449  -7.192  -1.195
  108   2HD   HYP  14          2HD       HYP  14   1.097  -7.225  -2.930
  109    HOD  HYP  14           HOD      HYP  14   2.771  -8.322  -3.809
  110    HG   HYP  14           HG       HYP  14   2.465  -9.286  -1.142
  111   1HB1  AIB  15          1HB1      AIB  15   0.767  -9.630   2.820
  112   2HB1  AIB  15          2HB1      AIB  15   1.025 -11.167   3.662
  113   3HB1  AIB  15          3HB1      AIB  15   2.162 -10.615   2.419
  114   1HB2  AIB  15          1HB2      AIB  15   2.059 -12.619   1.005
  115   2HB2  AIB  15          2HB2      AIB  15   1.108 -13.364   2.305
  116   3HB2  AIB  15          3HB2      AIB  15   0.520 -13.425   0.636
  117    H    AIB  15           H        AIB  15   0.957  -9.804   0.282
  118    HA   PRO  16           HA       PRO  16  -3.752 -11.747   3.191
  119   1HB   PRO  16          1HB       PRO  16  -5.236  -9.465   2.780
  120   2HB   PRO  16          2HB       PRO  16  -4.047  -9.636   4.082
  121   1HG   PRO  16          1HG       PRO  16  -3.688  -8.254   1.387
  122   2HG   PRO  16          2HG       PRO  16  -3.220  -7.665   2.999
  123   1HD   PRO  16          1HD       PRO  16  -1.458  -8.926   1.222
  124   2HD   PRO  16          2HD       PRO  16  -1.220  -8.952   2.978
  125    H1   PHL  17           H1       PHL  17  -4.867 -11.857  -3.292
  126    H2   PHL  17           H2       PHL  17  -3.499 -12.256  -2.264
  127    HO   PHL  17           HO       PHL  17  -3.012  -9.992  -2.230
  128    HA   PHL  17           HA       PHL  17  -5.674 -12.103  -1.071
  129   1HB   PHL  17          1HB       PHL  17  -5.619  -9.072  -1.641
  130   2HB   PHL  17          2HB       PHL  17  -6.650 -10.214  -2.457
  131    HD1  PHL  17           HD1      PHL  17  -6.393  -8.105   0.469
  132    HD2  PHL  17           HD2      PHL  17  -8.311 -11.667  -1.003
  133    HE1  PHL  17           HE1      PHL  17  -8.082  -7.945   2.250
  134    HE2  PHL  17           HE2      PHL  17  -9.987 -11.492   0.788
  135    HZ   PHL  17           HZ       PHL  17  -9.882  -9.631   2.412
  136    H    PHL  17           H        PHL  17  -3.565 -10.090  -0.090
  137    H1   ACE   1           H1       ACE   1  -1.555  12.384   1.009
  138    H2   ACE   1           H2       ACE   1  -0.853  11.501   2.400
  139    H3   ACE   1           H3       ACE   1  -0.185  11.261   0.766
  Start of MODEL   12
    1    H    TRP   2           H        TRP   2  -3.565  11.346  -0.676
    2    HA   TRP   2           HA       TRP   2  -3.640   8.707   0.596
    3   1HB   TRP   2          1HB       TRP   2  -5.596  10.001  -0.647
    4   2HB   TRP   2          2HB       TRP   2  -4.951   9.306  -2.113
    5    HD1  TRP   2           HD1      TRP   2  -5.328   6.570  -2.424
    6    HE1  TRP   2           HE1      TRP   2  -6.795   4.743  -1.202
    7    HE3  TRP   2           HE3      TRP   2  -6.493   9.406   1.656
    8    HZ2  TRP   2           HZ2      TRP   2  -8.272   4.744   1.250
    9    HZ3  TRP   2           HZ3      TRP   2  -7.960   8.449   3.402
   10    HH2  TRP   2           HH2      TRP   2  -8.838   6.157   3.202
   11    H    ILE   3           H        ILE   3  -1.635   9.940  -1.949
   12    HA   ILE   3           HA       ILE   3  -0.843   7.333  -3.034
   13    HB   ILE   3           HB       ILE   3   1.120   8.321  -4.049
   14   1HG1  ILE   3          1HG1      ILE   3   1.124  11.018  -4.058
   15   2HG1  ILE   3          2HG1      ILE   3   0.455  10.851  -2.451
   16   1HG2  ILE   3          1HG2      ILE   3  -1.377   9.996  -4.624
   17   2HG2  ILE   3          2HG2      ILE   3  -0.007   9.686  -5.717
   18   3HG2  ILE   3          3HG2      ILE   3  -1.063   8.351  -5.227
   19   1HD1  ILE   3          1HD1      ILE   3   3.131   9.609  -3.433
   20   2HD1  ILE   3          2HD1      ILE   3   2.970  11.112  -2.499
   21   3HD1  ILE   3          3HD1      ILE   3   2.538   9.558  -1.755
   22    H    GLN   4           H        GLN   4   0.108   8.927  -0.098
   23    HA   GLN   4           HA       GLN   4   2.260   6.954   0.533
   24   1HB   GLN   4          1HB       GLN   4   0.848   8.936   2.409
   25   2HB   GLN   4          2HB       GLN   4   2.047   7.786   2.924
   26   1HG   GLN   4          1HG       GLN   4   3.655   9.240   2.522
   27   2HG   GLN   4          2HG       GLN   4   3.455   8.940   0.816
   28   1HE2  GLN   4          2HE2      GLN   4   3.245  10.852  -0.308
   29   2HE2  GLN   4          1HE2      GLN   4   2.519  12.401   0.350
   30   1HB1  DIV   5          1HB1      DIV   5  -0.481   4.609   3.845
   31   2HB1  DIV   5          2HB1      DIV   5  -1.470   5.987   4.258
   32   1HG1  DIV   5          1HG1      DIV   5  -2.633   3.136   3.988
   33   2HG1  DIV   5          2HG1      DIV   5  -2.077   3.886   5.500
   34   3HG1  DIV   5          3HG1      DIV   5  -3.458   4.581   4.629
   35   1HB2  DIV   5          1HB2      DIV   5  -3.424   6.156   0.981
   36   2HB2  DIV   5          2HB2      DIV   5  -3.973   5.147   2.315
   37   3HB2  DIV   5          3HB2      DIV   5  -3.347   6.776   2.641
   38    H    DIV   5           H        DIV   5  -1.167   7.301   1.472
   39    H    ILE   6           H        ILE   6  -1.962   5.028  -0.427
   40    HA   ILE   6           HA       ILE   6  -2.058   2.167  -0.559
   41    HB   ILE   6           HB       ILE   6  -3.219   3.593  -2.159
   42   1HG1  ILE   6          1HG1      ILE   6  -1.444   1.513  -3.563
   43   2HG1  ILE   6          2HG1      ILE   6  -2.772   1.102  -2.495
   44   1HG2  ILE   6          1HG2      ILE   6  -0.558   3.968  -3.678
   45   2HG2  ILE   6          2HG2      ILE   6  -2.163   4.584  -4.140
   46   3HG2  ILE   6          3HG2      ILE   6  -1.348   5.223  -2.703
   47   1HD1  ILE   6          1HD1      ILE   6  -3.096   2.676  -5.130
   48   2HD1  ILE   6          2HD1      ILE   6  -3.518   0.975  -4.845
   49   3HD1  ILE   6          3HD1      ILE   6  -4.419   2.261  -4.006
   50    H    THR   7           H        THR   7   0.771   4.298  -1.266
   51    HA   THR   7           HA       THR   7   2.509   2.153  -2.176
   52    HB   THR   7           HB       THR   7   3.302   4.817  -0.876
   53    HG1  THR   7           HG1      THR   7   3.496   5.426  -3.009
   54   1HG2  THR   7          1HG2      THR   7   5.462   4.596  -2.145
   55   2HG2  THR   7          2HG2      THR   7   5.327   3.327  -0.912
   56   3HG2  THR   7          3HG2      THR   7   5.028   2.935  -2.624
   57   1HB1  AIB   8          1HB1      AIB   8   1.045   2.800   3.327
   58   2HB1  AIB   8          2HB1      AIB   8   2.121   2.068   4.528
   59   3HB1  AIB   8          3HB1      AIB   8   2.626   3.533   3.664
   60   1HB2  AIB   8          1HB2      AIB   8   4.793   2.455   2.835
   61   2HB2  AIB   8          2HB2      AIB   8   4.369   1.027   3.801
   62   3HB2  AIB   8          3HB2      AIB   8   4.773   0.845   2.085
   63    H    AIB   8           H        AIB   8   1.993   3.270   1.100
   64    H    LEU   9           H        LEU   9   0.495   1.089   1.240
   65    HA   LEU   9           HA       LEU   9   0.109  -1.633   2.396
   66   1HB   LEU   9          1HB       LEU   9  -1.594   0.250   0.683
   67   2HB   LEU   9          2HB       LEU   9  -1.987  -1.433   0.729
   68    HG   LEU   9           HG       LEU   9  -1.847   0.272   3.277
   69   1HD1  LEU   9          1HD1      LEU   9  -4.304  -0.533   1.578
   70   2HD1  LEU   9          2HD1      LEU   9  -4.345   0.328   3.139
   71   3HD1  LEU   9          3HD1      LEU   9  -3.619   1.106   1.718
   72   1HD2  LEU   9          1HD2      LEU   9  -1.585  -2.163   3.793
   73   2HD2  LEU   9          2HD2      LEU   9  -3.208  -1.642   4.272
   74   3HD2  LEU   9          3HD2      LEU   9  -2.982  -2.575   2.771
   75   1HB1  AIB  10          1HB1      AIB  10   3.740  -0.902  -2.024
   76   2HB1  AIB  10          2HB1      AIB  10   3.205  -1.633  -3.538
   77   3HB1  AIB  10          3HB1      AIB  10   2.404  -0.178  -2.918
   78   1HB2  AIB  10          1HB2      AIB  10   0.161  -1.170  -3.040
   79   2HB2  AIB  10          2HB2      AIB  10   0.893  -2.618  -3.780
   80   3HB2  AIB  10          3HB2      AIB  10  -0.186  -2.784  -2.381
   81    H    AIB  10           H        AIB  10   1.683  -0.340  -0.415
   82    HA   HYP  11           HA       HYP  11   4.214  -5.629  -1.079
   83   1HB   HYP  11          1HB       HYP  11   5.473  -5.488   1.353
   84   2HB   HYP  11          2HB       HYP  11   6.085  -4.644  -0.081
   85   1HD   HYP  11          1HD       HYP  11   3.260  -2.086   0.794
   86   2HD   HYP  11          2HD       HYP  11   4.593  -1.868  -0.340
   87    HOD  HYP  11           HOD      HYP  11   6.597  -3.136   2.219
   88    HG   HYP  11           HG       HYP  11   4.398  -3.502   2.206
   89    H    GLN  12           H        GLN  12   1.850  -4.238   1.101
   90    HA   GLN  12           HA       GLN  12   1.071  -6.888   2.150
   91   1HB   GLN  12          1HB       GLN  12   0.258  -4.067   3.016
   92   2HB   GLN  12          2HB       GLN  12  -0.483  -5.520   3.666
   93   1HG   GLN  12          1HG       GLN  12   1.689  -6.326   4.581
   94   2HG   GLN  12          2HG       GLN  12   2.533  -4.937   3.912
   95   1HE2  GLN  12          2HE2      GLN  12   2.250  -2.886   4.913
   96   2HE2  GLN  12          1HE2      GLN  12   1.442  -2.728   6.553
   97   1HB1  AIB  13          1HB1      AIB  13  -0.232  -5.730  -3.036
   98   2HB1  AIB  13          2HB1      AIB  13  -1.888  -6.159  -3.494
   99   3HB1  AIB  13          3HB1      AIB  13  -1.548  -4.628  -2.667
  100   1HB2  AIB  13          1HB2      AIB  13  -3.111  -4.928  -0.820
  101   2HB2  AIB  13          2HB2      AIB  13  -3.689  -6.323  -1.765
  102   3HB2  AIB  13          3HB2      AIB  13  -3.343  -6.511  -0.053
  103    H    AIB  13           H        AIB  13   0.388  -5.451  -0.714
  104    HA   HYP  14           HA       HYP  14  -0.666 -10.398  -2.693
  105   1HB   HYP  14          1HB       HYP  14   1.984 -11.140  -2.361
  106   2HB   HYP  14          2HB       HYP  14   1.391 -10.118  -3.681
  107   1HD   HYP  14          1HD       HYP  14   1.444  -7.163  -1.198
  108   2HD   HYP  14          2HD       HYP  14   1.154  -7.315  -2.939
  109    HOD  HYP  14           HOD      HYP  14   2.960  -8.298  -3.676
  110    HG   HYP  14           HG       HYP  14   2.586  -9.193  -0.994
  111   1HB1  AIB  15          1HB1      AIB  15   0.798  -9.525   2.940
  112   2HB1  AIB  15          2HB1      AIB  15   1.065 -11.021   3.853
  113   3HB1  AIB  15          3HB1      AIB  15   2.241 -10.473   2.645
  114   1HB2  AIB  15          1HB2      AIB  15   2.296 -12.490   1.280
  115   2HB2  AIB  15          2HB2      AIB  15   1.336 -13.249   2.569
  116   3HB2  AIB  15          3HB2      AIB  15   0.823 -13.393   0.880
  117    H    AIB  15           H        AIB  15   1.029  -9.734   0.441
  118    HA   PRO  16           HA       PRO  16  -3.646 -11.907   3.227
  119   1HB   PRO  16          1HB       PRO  16  -5.224  -9.703   2.733
  120   2HB   PRO  16          2HB       PRO  16  -4.078  -9.800   4.083
  121   1HG   PRO  16          1HG       PRO  16  -3.695  -8.416   1.398
  122   2HG   PRO  16          2HG       PRO  16  -3.293  -7.805   3.017
  123   1HD   PRO  16          1HD       PRO  16  -1.453  -9.007   1.264
  124   2HD   PRO  16          2HD       PRO  16  -1.224  -8.969   3.023
  125    H1   PHL  17           H1       PHL  17  -3.136 -12.844  -1.795
  126    H2   PHL  17           H2       PHL  17  -2.922 -11.257  -2.548
  127    HO   PHL  17           HO       PHL  17  -4.852 -11.790  -3.782
  128    HA   PHL  17           HA       PHL  17  -5.488 -12.209  -1.117
  129   1HB   PHL  17          1HB       PHL  17  -4.737  -9.374  -2.114
  130   2HB   PHL  17          2HB       PHL  17  -5.830 -10.458  -2.927
  131    HD1  PHL  17           HD1      PHL  17  -8.033 -11.162  -1.818
  132    HD2  PHL  17           HD2      PHL  17  -5.569  -8.016  -0.219
  133    HE1  PHL  17           HE1      PHL  17  -9.935 -10.329  -0.499
  134    HE2  PHL  17           HE2      PHL  17  -7.483  -7.201   1.096
  135    HZ   PHL  17           HZ       PHL  17  -9.667  -8.355   0.966
  136    H    PHL  17           H        PHL  17  -3.360 -10.271  -0.005
  137    H1   ACE   1           H1       ACE   1  -1.257  12.503  -0.519
  138    H2   ACE   1           H2       ACE   1  -2.405  13.058   0.739
  139    H3   ACE   1           H3       ACE   1  -0.763  12.502   1.189
  Start of MODEL   13
    1    H    TRP   2           H        TRP   2  -2.947  11.333  -0.287
    2    HA   TRP   2           HA       TRP   2  -4.130   8.678   0.205
    3   1HB   TRP   2          1HB       TRP   2  -4.265  10.368  -2.353
    4   2HB   TRP   2          2HB       TRP   2  -5.195   8.919  -2.050
    5    HD1  TRP   2           HD1      TRP   2  -6.720   9.183   0.559
    6    HE1  TRP   2           HE1      TRP   2  -8.375  11.128   1.230
    7    HE3  TRP   2           HE3      TRP   2  -4.936  12.639  -2.760
    8    HZ2  TRP   2           HZ2      TRP   2  -8.708  13.817   0.314
    9    HZ3  TRP   2           HZ3      TRP   2  -5.973  14.881  -2.819
   10    HH2  TRP   2           HH2      TRP   2  -7.820  15.463  -1.302
   11    H    ILE   3           H        ILE   3  -1.628   9.929  -2.026
   12    HA   ILE   3           HA       ILE   3  -0.868   7.295  -3.070
   13    HB   ILE   3           HB       ILE   3   1.176   8.255  -3.991
   14   1HG1  ILE   3          1HG1      ILE   3   1.139  10.997  -3.941
   15   2HG1  ILE   3          2HG1      ILE   3   0.501  10.731  -2.337
   16   1HG2  ILE   3          1HG2      ILE   3  -1.279   9.952  -4.672
   17   2HG2  ILE   3          2HG2      ILE   3   0.139   9.643  -5.705
   18   3HG2  ILE   3          3HG2      ILE   3  -0.945   8.309  -5.267
   19   1HD1  ILE   3          1HD1      ILE   3   3.215   9.764  -3.469
   20   2HD1  ILE   3          2HD1      ILE   3   2.944  10.997  -2.215
   21   3HD1  ILE   3          3HD1      ILE   3   2.634   9.285  -1.860
   22    H    GLN   4           H        GLN   4   0.174   8.986  -0.215
   23    HA   GLN   4           HA       GLN   4   2.274   7.012   0.514
   24   1HB   GLN   4          1HB       GLN   4   0.893   9.274   2.054
   25   2HB   GLN   4          2HB       GLN   4   1.908   8.129   2.908
   26   1HG   GLN   4          1HG       GLN   4   3.877   8.640   1.608
   27   2HG   GLN   4          2HG       GLN   4   2.978   9.573   0.426
   28   1HE2  GLN   4          2HE2      GLN   4   3.280  11.729   0.694
   29   2HE2  GLN   4          1HE2      GLN   4   3.604  12.568   2.292
   30   1HB1  DIV   5          1HB1      DIV   5  -0.463   4.716   3.917
   31   2HB1  DIV   5          2HB1      DIV   5  -1.493   6.073   4.297
   32   1HG1  DIV   5          1HG1      DIV   5  -2.520   3.176   4.034
   33   2HG1  DIV   5          2HG1      DIV   5  -2.148   4.026   5.548
   34   3HG1  DIV   5          3HG1      DIV   5  -3.487   4.584   4.526
   35   1HB2  DIV   5          1HB2      DIV   5  -3.349   6.249   0.990
   36   2HB2  DIV   5          2HB2      DIV   5  -3.922   5.206   2.287
   37   3HB2  DIV   5          3HB2      DIV   5  -3.323   6.833   2.663
   38    H    DIV   5           H        DIV   5  -1.122   7.386   1.528
   39    H    ILE   6           H        ILE   6  -1.995   5.076  -0.393
   40    HA   ILE   6           HA       ILE   6  -2.013   2.216  -0.447
   41    HB   ILE   6           HB       ILE   6  -3.288   3.532  -2.027
   42   1HG1  ILE   6          1HG1      ILE   6  -1.535   1.430  -3.429
   43   2HG1  ILE   6          2HG1      ILE   6  -2.787   1.045  -2.266
   44   1HG2  ILE   6          1HG2      ILE   6  -0.698   3.963  -3.654
   45   2HG2  ILE   6          2HG2      ILE   6  -2.349   4.430  -4.131
   46   3HG2  ILE   6          3HG2      ILE   6  -1.576   5.212  -2.746
   47   1HD1  ILE   6          1HD1      ILE   6  -3.306   2.439  -4.967
   48   2HD1  ILE   6          2HD1      ILE   6  -3.661   0.750  -4.542
   49   3HD1  ILE   6          3HD1      ILE   6  -4.554   2.067  -3.744
   50    H    THR   7           H        THR   7   0.787   4.325  -1.264
   51    HA   THR   7           HA       THR   7   2.528   2.186  -2.176
   52    HB   THR   7           HB       THR   7   3.345   4.806  -0.801
   53    HG1  THR   7           HG1      THR   7   3.605   5.454  -2.942
   54   1HG2  THR   7          1HG2      THR   7   5.507   4.581  -2.073
   55   2HG2  THR   7          2HG2      THR   7   5.337   3.266  -0.894
   56   3HG2  THR   7          3HG2      THR   7   5.030   2.951  -2.619
   57   1HB1  AIB   8          1HB1      AIB   8   0.993   2.780   3.331
   58   2HB1  AIB   8          2HB1      AIB   8   2.084   2.060   4.526
   59   3HB1  AIB   8          3HB1      AIB   8   2.569   3.528   3.656
   60   1HB2  AIB   8          1HB2      AIB   8   4.748   2.443   2.843
   61   2HB2  AIB   8          2HB2      AIB   8   4.308   1.025   3.818
   62   3HB2  AIB   8          3HB2      AIB   8   4.727   0.827   2.107
   63    H    AIB   8           H        AIB   8   1.936   3.254   1.094
   64    H    LEU   9           H        LEU   9   0.396   1.122   1.289
   65    HA   LEU   9           HA       LEU   9   0.042  -1.639   2.337
   66   1HB   LEU   9          1HB       LEU   9  -1.644   0.351   0.792
   67   2HB   LEU   9          2HB       LEU   9  -1.975  -1.322   0.537
   68    HG   LEU   9           HG       LEU   9  -3.375  -0.167   2.206
   69   1HD1  LEU   9          1HD1      LEU   9  -1.970  -2.708   3.278
   70   2HD1  LEU   9          2HD1      LEU   9  -3.604  -2.147   3.712
   71   3HD1  LEU   9          3HD1      LEU   9  -3.263  -2.682   2.057
   72   1HD2  LEU   9          1HD2      LEU   9  -1.674   1.127   3.507
   73   2HD2  LEU   9          2HD2      LEU   9  -2.720   0.148   4.548
   74   3HD2  LEU   9          3HD2      LEU   9  -1.050  -0.376   4.208
   75   1HB1  AIB  10          1HB1      AIB  10   3.803  -0.944  -1.964
   76   2HB1  AIB  10          2HB1      AIB  10   3.322  -1.691  -3.489
   77   3HB1  AIB  10          3HB1      AIB  10   2.505  -0.223  -2.916
   78   1HB2  AIB  10          1HB2      AIB  10   0.254  -1.188  -3.090
   79   2HB2  AIB  10          2HB2      AIB  10   0.989  -2.648  -3.801
   80   3HB2  AIB  10          3HB2      AIB  10  -0.128  -2.794  -2.434
   81    H    AIB  10           H        AIB  10   1.696  -0.354  -0.434
   82    HA   HYP  11           HA       HYP  11   4.193  -5.704  -0.995
   83   1HB   HYP  11          1HB       HYP  11   5.381  -5.563   1.465
   84   2HB   HYP  11          2HB       HYP  11   6.052  -4.742   0.042
   85   1HD   HYP  11          1HD       HYP  11   3.228  -2.155   0.842
   86   2HD   HYP  11          2HD       HYP  11   4.585  -1.921  -0.255
   87    HOD  HYP  11           HOD      HYP  11   6.582  -3.270   2.267
   88    HG   HYP  11           HG       HYP  11   4.335  -3.555   2.281
   89    H    GLN  12           H        GLN  12   1.796  -4.236   1.093
   90    HA   GLN  12           HA       GLN  12   0.923  -6.845   2.152
   91   1HB   GLN  12          1HB       GLN  12   0.188  -3.969   2.893
   92   2HB   GLN  12          2HB       GLN  12  -0.692  -5.320   3.555
   93   1HG   GLN  12          1HG       GLN  12   2.344  -4.970   3.922
   94   2HG   GLN  12          2HG       GLN  12   1.124  -4.324   5.010
   95   1HE2  GLN  12          2HE2      GLN  12   1.789  -5.518   6.777
   96   2HE2  GLN  12          1HE2      GLN  12   1.648  -7.343   6.871
   97   1HB1  AIB  13          1HB1      AIB  13  -0.208  -5.739  -3.074
   98   2HB1  AIB  13          2HB1      AIB  13  -1.847  -6.173  -3.581
   99   3HB1  AIB  13          3HB1      AIB  13  -1.536  -4.645  -2.729
  100   1HB2  AIB  13          1HB2      AIB  13  -3.168  -4.986  -0.925
  101   2HB2  AIB  13          2HB2      AIB  13  -3.700  -6.380  -1.900
  102   3HB2  AIB  13          3HB2      AIB  13  -3.390  -6.578  -0.182
  103    H    AIB  13           H        AIB  13   0.341  -5.459  -0.747
  104    HA   HYP  14           HA       HYP  14  -0.611 -10.431  -2.704
  105   1HB   HYP  14          1HB       HYP  14   2.047 -11.124  -2.328
  106   2HB   HYP  14          2HB       HYP  14   1.457 -10.130  -3.667
  107   1HD   HYP  14          1HD       HYP  14   1.431  -7.142  -1.224
  108   2HD   HYP  14          2HD       HYP  14   1.166  -7.321  -2.960
  109    HOD  HYP  14           HOD      HYP  14   2.997  -8.375  -3.695
  110    HG   HYP  14           HG       HYP  14   2.603  -9.156  -0.977
  111   1HB1  AIB  15          1HB1      AIB  15   0.845  -9.590   2.990
  112   2HB1  AIB  15          2HB1      AIB  15   1.144 -11.111   3.846
  113   3HB1  AIB  15          3HB1      AIB  15   2.297 -10.506   2.644
  114   1HB2  AIB  15          1HB2      AIB  15   2.355 -12.465   1.205
  115   2HB2  AIB  15          2HB2      AIB  15   1.427 -13.287   2.478
  116   3HB2  AIB  15          3HB2      AIB  15   0.889 -13.376   0.795
  117    H    AIB  15           H        AIB  15   0.907  -9.644   0.512
  118    HA   PRO  16           HA       PRO  16  -3.559 -12.012   3.243
  119   1HB   PRO  16          1HB       PRO  16  -5.167  -9.811   2.884
  120   2HB   PRO  16          2HB       PRO  16  -3.979  -9.941   4.193
  121   1HG   PRO  16          1HG       PRO  16  -3.692  -8.460   1.542
  122   2HG   PRO  16          2HG       PRO  16  -3.249  -7.894   3.169
  123   1HD   PRO  16          1HD       PRO  16  -1.451  -9.024   1.321
  124   2HD   PRO  16          2HD       PRO  16  -1.171  -9.028   3.077
  125    H1   PHL  17           H1       PHL  17  -3.295 -12.710  -1.893
  126    H2   PHL  17           H2       PHL  17  -3.169 -11.110  -2.636
  127    HO   PHL  17           HO       PHL  17  -5.062 -11.581  -3.799
  128    HA   PHL  17           HA       PHL  17  -5.600 -12.080  -1.002
  129   1HB   PHL  17          1HB       PHL  17  -4.844  -9.253  -1.985
  130   2HB   PHL  17          2HB       PHL  17  -6.110 -10.260  -2.632
  131    HD1  PHL  17           HD1      PHL  17  -8.009 -11.072  -0.909
  132    HD2  PHL  17           HD2      PHL  17  -5.473  -7.653  -0.284
  133    HE1  PHL  17           HE1      PHL  17  -9.643 -10.137   0.674
  134    HE2  PHL  17           HE2      PHL  17  -7.122  -6.728   1.289
  135    HZ   PHL  17           HZ       PHL  17  -9.207  -7.967   1.774
  136    H    PHL  17           H        PHL  17  -3.335 -10.266   0.037
  137    H1   ACE   1           H1       ACE   1  -1.835  12.354   1.669
  138    H2   ACE   1           H2       ACE   1  -0.691  11.219   2.449
  139    H3   ACE   1           H3       ACE   1  -0.553  11.555   0.709
  Start of MODEL   14
    1    H    TRP   2           H        TRP   2  -3.546  11.335  -0.850
    2    HA   TRP   2           HA       TRP   2  -3.674   8.723   0.473
    3   1HB   TRP   2          1HB       TRP   2  -5.604   9.951  -0.803
    4   2HB   TRP   2          2HB       TRP   2  -4.887   9.340  -2.281
    5    HD1  TRP   2           HD1      TRP   2  -5.304   6.676  -2.804
    6    HE1  TRP   2           HE1      TRP   2  -6.643   4.701  -1.667
    7    HE3  TRP   2           HE3      TRP   2  -6.322   9.115   1.562
    8    HZ2  TRP   2           HZ2      TRP   2  -7.944   4.429   0.867
    9    HZ3  TRP   2           HZ3      TRP   2  -7.606   7.940   3.320
   10    HH2  TRP   2           HH2      TRP   2  -8.410   5.637   2.975
   11    H    ILE   3           H        ILE   3  -1.609   9.889  -2.073
   12    HA   ILE   3           HA       ILE   3  -0.741   7.292  -3.079
   13    HB   ILE   3           HB       ILE   3   1.379   8.354  -3.818
   14   1HG1  ILE   3          1HG1      ILE   3   0.279  11.053  -2.815
   15   2HG1  ILE   3          2HG1      ILE   3   1.495  10.134  -1.949
   16   1HG2  ILE   3          1HG2      ILE   3  -1.135   9.882  -4.722
   17   2HG2  ILE   3          2HG2      ILE   3   0.381   9.687  -5.637
   18   3HG2  ILE   3          3HG2      ILE   3  -0.629   8.273  -5.295
   19   1HD1  ILE   3          1HD1      ILE   3   1.874  11.281  -4.784
   20   2HD1  ILE   3          2HD1      ILE   3   2.620  11.854  -3.276
   21   3HD1  ILE   3          3HD1      ILE   3   3.066  10.261  -3.932
   22    H    GLN   4           H        GLN   4   0.139   8.931  -0.146
   23    HA   GLN   4           HA       GLN   4   2.280   6.996   0.598
   24   1HB   GLN   4          1HB       GLN   4   0.844   9.218   2.139
   25   2HB   GLN   4          2HB       GLN   4   1.905   8.103   2.975
   26   1HG   GLN   4          1HG       GLN   4   3.852   8.690   1.675
   27   2HG   GLN   4          2HG       GLN   4   2.921   9.571   0.481
   28   1HE2  GLN   4          2HE2      GLN   4   4.895  10.080   3.062
   29   2HE2  GLN   4          1HE2      GLN   4   4.329  11.772   3.488
   30   1HB1  DIV   5          1HB1      DIV   5  -0.453   4.632   3.908
   31   2HB1  DIV   5          2HB1      DIV   5  -1.466   5.990   4.321
   32   1HG1  DIV   5          1HG1      DIV   5  -2.536   3.104   4.038
   33   2HG1  DIV   5          2HG1      DIV   5  -2.082   3.907   5.552
   34   3HG1  DIV   5          3HG1      DIV   5  -3.451   4.519   4.608
   35   1HB2  DIV   5          1HB2      DIV   5  -3.373   6.167   1.012
   36   2HB2  DIV   5          2HB2      DIV   5  -3.931   5.136   2.323
   37   3HB2  DIV   5          3HB2      DIV   5  -3.339   6.772   2.678
   38    H    DIV   5           H        DIV   5  -1.158   7.320   1.497
   39    H    ILE   6           H        ILE   6  -1.890   5.066  -0.388
   40    HA   ILE   6           HA       ILE   6  -2.079   2.211  -0.509
   41    HB   ILE   6           HB       ILE   6  -3.232   3.661  -2.095
   42   1HG1  ILE   6          1HG1      ILE   6  -1.514   1.542  -3.512
   43   2HG1  ILE   6          2HG1      ILE   6  -2.850   1.169  -2.438
   44   1HG2  ILE   6          1HG2      ILE   6  -0.595   3.983  -3.672
   45   2HG2  ILE   6          2HG2      ILE   6  -2.199   4.648  -4.080
   46   3HG2  ILE   6          3HG2      ILE   6  -1.325   5.244  -2.661
   47   1HD1  ILE   6          1HD1      ILE   6  -3.142   2.743  -5.079
   48   2HD1  ILE   6          2HD1      ILE   6  -3.601   1.053  -4.790
   49   3HD1  ILE   6          3HD1      ILE   6  -4.472   2.362  -3.951
   50    H    THR   7           H        THR   7   0.776   4.290  -1.205
   51    HA   THR   7           HA       THR   7   2.475   2.115  -2.164
   52    HB   THR   7           HB       THR   7   3.319   4.779  -0.892
   53    HG1  THR   7           HG1      THR   7   3.486   5.375  -3.035
   54   1HG2  THR   7          1HG2      THR   7   5.448   4.515  -2.214
   55   2HG2  THR   7          2HG2      THR   7   5.321   3.264  -0.961
   56   3HG2  THR   7          3HG2      THR   7   4.978   2.853  -2.661
   57   1HB1  AIB   8          1HB1      AIB   8   1.065   2.829   3.363
   58   2HB1  AIB   8          2HB1      AIB   8   2.164   2.102   4.545
   59   3HB1  AIB   8          3HB1      AIB   8   2.660   3.551   3.651
   60   1HB2  AIB   8          1HB2      AIB   8   4.798   2.430   2.809
   61   2HB2  AIB   8          2HB2      AIB   8   4.369   1.017   3.791
   62   3HB2  AIB   8          3HB2      AIB   8   4.746   0.814   2.074
   63    H    AIB   8           H        AIB   8   1.964   3.258   1.104
   64    H    LEU   9           H        LEU   9   0.482   1.092   1.236
   65    HA   LEU   9           HA       LEU   9   0.070  -1.607   2.442
   66   1HB   LEU   9          1HB       LEU   9  -1.616   0.253   0.686
   67   2HB   LEU   9          2HB       LEU   9  -2.046  -1.418   0.817
   68    HG   LEU   9           HG       LEU   9  -1.812   0.406   3.280
   69   1HD1  LEU   9          1HD1      LEU   9  -4.336  -0.368   1.674
   70   2HD1  LEU   9          2HD1      LEU   9  -4.307   0.555   3.198
   71   3HD1  LEU   9          3HD1      LEU   9  -3.588   1.246   1.731
   72   1HD2  LEU   9          1HD2      LEU   9  -1.647  -2.034   3.879
   73   2HD2  LEU   9          2HD2      LEU   9  -3.195  -1.368   4.417
   74   3HD2  LEU   9          3HD2      LEU   9  -3.129  -2.381   2.958
   75   1HB1  AIB  10          1HB1      AIB  10   3.684  -0.921  -1.999
   76   2HB1  AIB  10          2HB1      AIB  10   3.141  -1.646  -3.515
   77   3HB1  AIB  10          3HB1      AIB  10   2.343  -0.189  -2.886
   78   1HB2  AIB  10          1HB2      AIB  10   0.101  -1.200  -3.012
   79   2HB2  AIB  10          2HB2      AIB  10   0.840  -2.638  -3.748
   80   3HB2  AIB  10          3HB2      AIB  10  -0.235  -2.813  -2.352
   81    H    AIB  10           H        AIB  10   1.626  -0.345  -0.401
   82    HA   HYP  11           HA       HYP  11   4.244  -5.588  -1.040
   83   1HB   HYP  11          1HB       HYP  11   5.416  -5.455   1.436
   84   2HB   HYP  11          2HB       HYP  11   6.056  -4.582   0.031
   85   1HD   HYP  11          1HD       HYP  11   3.179  -2.069   0.840
   86   2HD   HYP  11          2HD       HYP  11   4.531  -1.859  -0.269
   87    HOD  HYP  11           HOD      HYP  11   6.503  -3.114   2.306
   88    HG   HYP  11           HG       HYP  11   4.270  -3.506   2.271
   89    H    GLN  12           H        GLN  12   1.777  -4.298   1.097
   90    HA   GLN  12           HA       GLN  12   1.007  -7.004   2.013
   91   1HB   GLN  12          1HB       GLN  12   0.286  -4.255   3.154
   92   2HB   GLN  12          2HB       GLN  12  -0.469  -5.746   3.698
   93   1HG   GLN  12          1HG       GLN  12   1.724  -6.685   4.424
   94   2HG   GLN  12          2HG       GLN  12   2.559  -5.228   3.905
   95   1HE2  GLN  12          2HE2      GLN  12   2.113  -6.507   6.606
   96   2HE2  GLN  12          1HE2      GLN  12   1.553  -5.104   7.648
   97   1HB1  AIB  13          1HB1      AIB  13  -0.251  -5.699  -3.049
   98   2HB1  AIB  13          2HB1      AIB  13  -1.892  -6.147  -3.531
   99   3HB1  AIB  13          3HB1      AIB  13  -1.584  -4.619  -2.686
  100   1HB2  AIB  13          1HB2      AIB  13  -3.147  -4.945  -0.823
  101   2HB2  AIB  13          2HB2      AIB  13  -3.718  -6.302  -1.824
  102   3HB2  AIB  13          3HB2      AIB  13  -3.392  -6.552  -0.117
  103    H    AIB  13           H        AIB  13   0.375  -5.507  -0.729
  104    HA   HYP  14           HA       HYP  14  -0.699 -10.411  -2.747
  105   1HB   HYP  14          1HB       HYP  14   1.961 -11.129  -2.409
  106   2HB   HYP  14          2HB       HYP  14   1.365 -10.139  -3.748
  107   1HD   HYP  14          1HD       HYP  14   1.406  -7.148  -1.285
  108   2HD   HYP  14          2HD       HYP  14   1.104  -7.304  -3.020
  109    HOD  HYP  14           HOD      HYP  14   2.897  -8.311  -3.788
  110    HG   HYP  14           HG       HYP  14   2.572  -9.169  -1.090
  111   1HB1  AIB  15          1HB1      AIB  15   0.911  -9.504   2.860
  112   2HB1  AIB  15          2HB1      AIB  15   1.223 -11.002   3.753
  113   3HB1  AIB  15          3HB1      AIB  15   2.348 -10.441   2.506
  114   1HB2  AIB  15          1HB2      AIB  15   2.364 -12.455   1.136
  115   2HB2  AIB  15          2HB2      AIB  15   1.448 -13.234   2.444
  116   3HB2  AIB  15          3HB2      AIB  15   0.881 -13.358   0.771
  117    H    AIB  15           H        AIB  15   1.077  -9.727   0.331
  118    HA   PRO  16           HA       PRO  16  -3.494 -11.930   3.274
  119   1HB   PRO  16          1HB       PRO  16  -5.102  -9.726   2.915
  120   2HB   PRO  16          2HB       PRO  16  -3.890  -9.848   4.202
  121   1HG   PRO  16          1HG       PRO  16  -3.641  -8.397   1.531
  122   2HG   PRO  16          2HG       PRO  16  -3.175  -7.819   3.146
  123   1HD   PRO  16          1HD       PRO  16  -1.389  -8.962   1.297
  124   2HD   PRO  16          2HD       PRO  16  -1.110  -8.975   3.050
  125    H1   PHL  17           H1       PHL  17  -3.275 -10.884  -2.605
  126    H2   PHL  17           H2       PHL  17  -4.628 -11.807  -3.255
  127    HO   PHL  17           HO       PHL  17  -3.979 -13.586  -2.070
  128    HA   PHL  17           HA       PHL  17  -5.559 -12.149  -0.963
  129   1HB   PHL  17          1HB       PHL  17  -5.105  -9.193  -1.735
  130   2HB   PHL  17          2HB       PHL  17  -6.324 -10.247  -2.397
  131    HD1  PHL  17           HD1      PHL  17  -8.013 -11.383  -0.629
  132    HD2  PHL  17           HD2      PHL  17  -5.756  -7.799   0.141
  133    HE1  PHL  17           HE1      PHL  17  -9.565 -10.782   1.181
  134    HE2  PHL  17           HE2      PHL  17  -7.327  -7.212   1.942
  135    HZ   PHL  17           HZ       PHL  17  -9.227  -8.701   2.469
  136    H    PHL  17           H        PHL  17  -3.312 -10.282   0.040
  137    H1   ACE   1           H1       ACE   1  -1.231  12.478  -0.643
  138    H2   ACE   1           H2       ACE   1  -2.427  13.072   0.546
  139    H3   ACE   1           H3       ACE   1  -0.808  12.527   1.084
  Start of MODEL   15
    1    H    TRP   2           H        TRP   2  -2.983  11.356  -0.096
    2    HA   TRP   2           HA       TRP   2  -4.067   8.643   0.271
    3   1HB   TRP   2          1HB       TRP   2  -4.245  10.436  -2.218
    4   2HB   TRP   2          2HB       TRP   2  -5.116   8.935  -1.998
    5    HD1  TRP   2           HD1      TRP   2  -5.669  12.556  -1.648
    6    HE1  TRP   2           HE1      TRP   2  -7.813  13.182  -0.243
    7    HE3  TRP   2           HE3      TRP   2  -6.343   7.952   0.456
    8    HZ2  TRP   2           HZ2      TRP   2  -9.428  11.721   1.613
    9    HZ3  TRP   2           HZ3      TRP   2  -8.201   7.629   2.052
   10    HH2  TRP   2           HH2      TRP   2  -9.713   9.485   2.630
   11    H    ILE   3           H        ILE   3  -1.514  10.026  -1.783
   12    HA   ILE   3           HA       ILE   3  -0.812   7.479  -3.081
   13    HB   ILE   3           HB       ILE   3   0.841  10.042  -2.867
   14   1HG1  ILE   3          1HG1      ILE   3  -0.708   8.895  -5.290
   15   2HG1  ILE   3          2HG1      ILE   3  -1.336  10.151  -4.243
   16   1HG2  ILE   3          1HG2      ILE   3   1.456   7.553  -4.601
   17   2HG2  ILE   3          2HG2      ILE   3   2.318   9.107  -4.695
   18   3HG2  ILE   3          3HG2      ILE   3   2.420   8.142  -3.227
   19   1HD1  ILE   3          1HD1      ILE   3   1.119  10.469  -6.063
   20   2HD1  ILE   3          2HD1      ILE   3  -0.478  11.215  -6.240
   21   3HD1  ILE   3          3HD1      ILE   3   0.572  11.694  -4.884
   22    H    GLN   4           H        GLN   4   0.279   8.977  -0.112
   23    HA   GLN   4           HA       GLN   4   2.273   6.872   0.543
   24   1HB   GLN   4          1HB       GLN   4   0.924   8.873   2.462
   25   2HB   GLN   4          2HB       GLN   4   2.146   7.712   2.919
   26   1HG   GLN   4          1HG       GLN   4   3.554   9.424   2.618
   27   2HG   GLN   4          2HG       GLN   4   3.651   8.766   0.999
   28   1HE2  GLN   4          2HE2      GLN   4   2.901  10.121  -0.712
   29   2HE2  GLN   4          1HE2      GLN   4   2.212  11.797  -0.439
   30   1HB1  DIV   5          1HB1      DIV   5  -0.588   4.541   3.787
   31   2HB1  DIV   5          2HB1      DIV   5  -1.587   5.914   4.197
   32   1HG1  DIV   5          1HG1      DIV   5  -2.736   3.071   3.809
   33   2HG1  DIV   5          2HG1      DIV   5  -2.278   3.805   5.363
   34   3HG1  DIV   5          3HG1      DIV   5  -3.605   4.505   4.415
   35   1HB2  DIV   5          1HB2      DIV   5  -3.413   6.202   0.871
   36   2HB2  DIV   5          2HB2      DIV   5  -4.011   5.161   2.157
   37   3HB2  DIV   5          3HB2      DIV   5  -3.379   6.771   2.549
   38    H    DIV   5           H        DIV   5  -1.158   7.281   1.412
   39    H    ILE   6           H        ILE   6  -1.949   5.100  -0.545
   40    HA   ILE   6           HA       ILE   6  -2.060   2.245  -0.729
   41    HB   ILE   6           HB       ILE   6  -3.179   3.618  -2.342
   42   1HG1  ILE   6          1HG1      ILE   6  -1.308   1.674  -3.810
   43   2HG1  ILE   6          2HG1      ILE   6  -2.534   1.126  -2.685
   44   1HG2  ILE   6          1HG2      ILE   6  -0.471   4.140  -3.736
   45   2HG2  ILE   6          2HG2      ILE   6  -2.080   4.611  -4.330
   46   3HG2  ILE   6          3HG2      ILE   6  -1.435   5.348  -2.855
   47   1HD1  ILE   6          1HD1      ILE   6  -3.148   2.717  -5.257
   48   2HD1  ILE   6          2HD1      ILE   6  -3.408   0.981  -4.978
   49   3HD1  ILE   6          3HD1      ILE   6  -4.358   2.173  -4.062
   50    H    THR   7           H        THR   7   0.815   4.340  -1.311
   51    HA   THR   7           HA       THR   7   2.573   2.211  -2.187
   52    HB   THR   7           HB       THR   7   3.378   4.792  -0.728
   53    HG1  THR   7           HG1      THR   7   3.625   5.549  -2.805
   54   1HG2  THR   7          1HG2      THR   7   5.547   4.597  -1.982
   55   2HG2  THR   7          2HG2      THR   7   5.356   3.235  -0.858
   56   3HG2  THR   7          3HG2      THR   7   5.067   2.997  -2.600
   57   1HB1  AIB   8          1HB1      AIB   8   0.971   2.803   3.309
   58   2HB1  AIB   8          2HB1      AIB   8   2.020   2.048   4.517
   59   3HB1  AIB   8          3HB1      AIB   8   2.558   3.508   3.667
   60   1HB2  AIB   8          1HB2      AIB   8   4.717   2.389   2.875
   61   2HB2  AIB   8          2HB2      AIB   8   4.244   0.964   3.822
   62   3HB2  AIB   8          3HB2      AIB   8   4.678   0.785   2.113
   63    H    AIB   8           H        AIB   8   1.984   3.289   1.091
   64    H    LEU   9           H        LEU   9   0.441   1.113   1.146
   65    HA   LEU   9           HA       LEU   9  -0.033  -1.594   2.298
   66   1HB   LEU   9          1HB       LEU   9  -1.633   0.297   0.507
   67   2HB   LEU   9          2HB       LEU   9  -2.041  -1.384   0.523
   68    HG   LEU   9           HG       LEU   9  -2.010   0.307   3.084
   69   1HD1  LEU   9          1HD1      LEU   9  -4.393  -0.458   1.263
   70   2HD1  LEU   9          2HD1      LEU   9  -4.502   0.391   2.827
   71   3HD1  LEU   9          3HD1      LEU   9  -3.700   1.172   1.450
   72   1HD2  LEU   9          1HD2      LEU   9  -1.803  -2.145   3.585
   73   2HD2  LEU   9          2HD2      LEU   9  -3.429  -1.588   4.011
   74   3HD2  LEU   9          3HD2      LEU   9  -3.174  -2.515   2.513
   75   1HB1  AIB  10          1HB1      AIB  10   3.712  -0.862  -2.074
   76   2HB1  AIB  10          2HB1      AIB  10   3.207  -1.633  -3.580
   77   3HB1  AIB  10          3HB1      AIB  10   2.370  -0.182  -2.995
   78   1HB2  AIB  10          1HB2      AIB  10   0.157  -1.218  -3.136
   79   2HB2  AIB  10          2HB2      AIB  10   0.926  -2.668  -3.832
   80   3HB2  AIB  10          3HB2      AIB  10  -0.173  -2.822  -2.449
   81    H    AIB  10           H        AIB  10   1.627  -0.313  -0.492
   82    HA   HYP  11           HA       HYP  11   4.267  -5.566  -1.055
   83   1HB   HYP  11          1HB       HYP  11   5.500  -5.371   1.381
   84   2HB   HYP  11          2HB       HYP  11   6.102  -4.528  -0.058
   85   1HD   HYP  11          1HD       HYP  11   3.218  -2.022   0.759
   86   2HD   HYP  11          2HD       HYP  11   4.557  -1.788  -0.364
   87    HOD  HYP  11           HOD      HYP  11   6.658  -3.055   2.085
   88    HG   HYP  11           HG       HYP  11   4.376  -3.387   2.204
   89    H    GLN  12           H        GLN  12   1.872  -4.169   1.098
   90    HA   GLN  12           HA       GLN  12   1.138  -6.772   2.268
   91   1HB   GLN  12          1HB       GLN  12   0.309  -3.891   2.885
   92   2HB   GLN  12          2HB       GLN  12  -0.500  -5.259   3.621
   93   1HG   GLN  12          1HG       GLN  12   1.488  -6.032   4.779
   94   2HG   GLN  12          2HG       GLN  12   2.542  -4.931   3.908
   95   1HE2  GLN  12          2HE2      GLN  12   2.974  -3.031   4.901
   96   2HE2  GLN  12          1HE2      GLN  12   2.004  -2.314   6.285
   97   1HB1  AIB  13          1HB1      AIB  13  -0.252  -5.767  -2.987
   98   2HB1  AIB  13          2HB1      AIB  13  -1.911  -6.192  -3.426
   99   3HB1  AIB  13          3HB1      AIB  13  -1.555  -4.658  -2.609
  100   1HB2  AIB  13          1HB2      AIB  13  -3.110  -4.949  -0.744
  101   2HB2  AIB  13          2HB2      AIB  13  -3.697  -6.354  -1.667
  102   3HB2  AIB  13          3HB2      AIB  13  -3.325  -6.524   0.040
  103    H    AIB  13           H        AIB  13   0.373  -5.421  -0.680
  104    HA   HYP  14           HA       HYP  14  -0.695 -10.424  -2.648
  105   1HB   HYP  14          1HB       HYP  14   1.957 -11.172  -2.337
  106   2HB   HYP  14          2HB       HYP  14   1.356 -10.140  -3.647
  107   1HD   HYP  14          1HD       HYP  14   1.431  -7.212  -1.129
  108   2HD   HYP  14          2HD       HYP  14   1.129  -7.334  -2.867
  109    HOD  HYP  14           HOD      HYP  14   2.911  -8.318  -3.646
  110    HG   HYP  14           HG       HYP  14   2.580  -9.234  -0.968
  111   1HB1  AIB  15          1HB1      AIB  15   0.776  -9.580   2.987
  112   2HB1  AIB  15          2HB1      AIB  15   1.095 -11.076   3.882
  113   3HB1  AIB  15          3HB1      AIB  15   2.245 -10.482   2.670
  114   1HB2  AIB  15          1HB2      AIB  15   2.341 -12.503   1.299
  115   2HB2  AIB  15          2HB2      AIB  15   1.394 -13.290   2.578
  116   3HB2  AIB  15          3HB2      AIB  15   0.882 -13.427   0.889
  117    H    AIB  15           H        AIB  15   1.057  -9.796   0.462
  118    HA   PRO  16           HA       PRO  16  -3.617 -12.042   3.234
  119   1HB   PRO  16          1HB       PRO  16  -5.229  -9.868   2.778
  120   2HB   PRO  16          2HB       PRO  16  -4.054  -9.938   4.100
  121   1HG   PRO  16          1HG       PRO  16  -3.733  -8.569   1.391
  122   2HG   PRO  16          2HG       PRO  16  -3.341  -7.922   2.999
  123   1HD   PRO  16          1HD       PRO  16  -1.472  -9.103   1.270
  124   2HD   PRO  16          2HD       PRO  16  -1.256  -9.058   3.030
  125    H1   PHL  17           H1       PHL  17  -3.032 -12.420  -2.133
  126    H2   PHL  17           H2       PHL  17  -3.294 -10.756  -2.671
  127    HO   PHL  17           HO       PHL  17  -5.004 -11.476  -3.915
  128    HA   PHL  17           HA       PHL  17  -5.352 -12.461  -1.138
  129   1HB   PHL  17          1HB       PHL  17  -5.358  -9.399  -1.626
  130   2HB   PHL  17          2HB       PHL  17  -6.273 -10.540  -2.576
  131    HD1  PHL  17           HD1      PHL  17  -8.064 -12.038  -1.410
  132    HD2  PHL  17           HD2      PHL  17  -6.329  -8.585   0.485
  133    HE1  PHL  17           HE1      PHL  17  -9.947 -11.948   0.172
  134    HE2  PHL  17           HE2      PHL  17  -8.223  -8.507   2.055
  135    HZ   PHL  17           HZ       PHL  17 -10.033 -10.184   1.902
  136    H    PHL  17           H        PHL  17  -3.380 -10.379  -0.015
  137    H1   ACE   1           H1       ACE   1  -1.848  12.271   2.029
  138    H2   ACE   1           H2       ACE   1  -0.562  11.118   2.496
  139    H3   ACE   1           H3       ACE   1  -0.666  11.687   0.816
  Start of MODEL   16
    1    H    TRP   2           H        TRP   2  -3.412  11.381  -0.445
    2    HA   TRP   2           HA       TRP   2  -3.906   8.634   0.468
    3   1HB   TRP   2          1HB       TRP   2  -4.769   9.917  -2.187
    4   2HB   TRP   2          2HB       TRP   2  -5.340   8.383  -1.569
    5    HD1  TRP   2           HD1      TRP   2  -6.533   8.626   1.142
    6    HE1  TRP   2           HE1      TRP   2  -8.300  10.381   2.015
    7    HE3  TRP   2           HE3      TRP   2  -5.738  12.114  -2.509
    8    HZ2  TRP   2           HZ2      TRP   2  -9.091  12.978   1.109
    9    HZ3  TRP   2           HZ3      TRP   2  -7.016  14.229  -2.435
   10    HH2  TRP   2           HH2      TRP   2  -8.656  14.657  -0.652
   11    H    ILE   3           H        ILE   3  -1.620   9.950  -1.834
   12    HA   ILE   3           HA       ILE   3  -0.865   7.394  -3.068
   13    HB   ILE   3           HB       ILE   3   0.814   9.928  -2.844
   14   1HG1  ILE   3          1HG1      ILE   3  -1.141  10.528  -4.116
   15   2HG1  ILE   3          2HG1      ILE   3   0.220  10.431  -5.200
   16   1HG2  ILE   3          1HG2      ILE   3   1.295   7.500  -4.678
   17   2HG2  ILE   3          2HG2      ILE   3   2.162   9.055  -4.784
   18   3HG2  ILE   3          3HG2      ILE   3   2.331   8.049  -3.340
   19   1HD1  ILE   3          1HD1      ILE   3  -2.004   8.287  -4.952
   20   2HD1  ILE   3          2HD1      ILE   3  -1.823   9.479  -6.257
   21   3HD1  ILE   3          3HD1      ILE   3  -0.618   8.184  -6.070
   22    H    GLN   4           H        GLN   4   0.260   9.020  -0.179
   23    HA   GLN   4           HA       GLN   4   2.302   6.997   0.559
   24   1HB   GLN   4          1HB       GLN   4   0.878   9.166   2.190
   25   2HB   GLN   4          2HB       GLN   4   1.959   8.038   2.960
   26   1HG   GLN   4          1HG       GLN   4   3.872   8.937   2.156
   27   2HG   GLN   4          2HG       GLN   4   3.273   9.189   0.540
   28   1HE2  GLN   4          2HE2      GLN   4   2.380  11.206  -0.009
   29   2HE2  GLN   4          1HE2      GLN   4   2.437  12.646   1.125
   30   1HB1  DIV   5          1HB1      DIV   5  -0.437   4.588   3.848
   31   2HB1  DIV   5          2HB1      DIV   5  -1.438   5.950   4.279
   32   1HG1  DIV   5          1HG1      DIV   5  -2.566   3.096   3.929
   33   2HG1  DIV   5          2HG1      DIV   5  -2.072   3.835   5.466
   34   3HG1  DIV   5          3HG1      DIV   5  -3.433   4.518   4.559
   35   1HB2  DIV   5          1HB2      DIV   5  -3.345   6.206   0.991
   36   2HB2  DIV   5          2HB2      DIV   5  -3.904   5.149   2.286
   37   3HB2  DIV   5          3HB2      DIV   5  -3.290   6.770   2.670
   38    H    DIV   5           H        DIV   5  -1.132   7.319   1.470
   39    H    ILE   6           H        ILE   6  -1.950   5.072  -0.450
   40    HA   ILE   6           HA       ILE   6  -2.019   2.214  -0.577
   41    HB   ILE   6           HB       ILE   6  -3.243   3.544  -2.170
   42   1HG1  ILE   6          1HG1      ILE   6  -2.918   2.199  -4.219
   43   2HG1  ILE   6          2HG1      ILE   6  -1.368   1.607  -3.649
   44   1HG2  ILE   6          1HG2      ILE   6  -0.615   4.102  -3.682
   45   2HG2  ILE   6          2HG2      ILE   6  -2.262   4.572  -4.178
   46   3HG2  ILE   6          3HG2      ILE   6  -1.529   5.295  -2.736
   47   1HD1  ILE   6          1HD1      ILE   6  -4.076   1.036  -2.255
   48   2HD1  ILE   6          2HD1      ILE   6  -3.244  -0.058  -3.388
   49   3HD1  ILE   6          3HD1      ILE   6  -2.501   0.313  -1.820
   50    H    THR   7           H        THR   7   0.806   4.331  -1.236
   51    HA   THR   7           HA       THR   7   2.553   2.213  -2.218
   52    HB   THR   7           HB       THR   7   3.345   4.820  -0.796
   53    HG1  THR   7           HG1      THR   7   3.511   5.566  -2.878
   54   1HG2  THR   7          1HG2      THR   7   5.492   4.655  -2.092
   55   2HG2  THR   7          2HG2      THR   7   5.355   3.311  -0.940
   56   3HG2  THR   7          3HG2      THR   7   5.042   3.031  -2.672
   57   1HB1  AIB   8          1HB1      AIB   8   1.044   2.778   3.315
   58   2HB1  AIB   8          2HB1      AIB   8   2.125   2.025   4.497
   59   3HB1  AIB   8          3HB1      AIB   8   2.640   3.487   3.636
   60   1HB2  AIB   8          1HB2      AIB   8   4.789   2.352   2.790
   61   2HB2  AIB   8          2HB2      AIB   8   4.321   0.936   3.752
   62   3HB2  AIB   8          3HB2      AIB   8   4.715   0.742   2.038
   63    H    AIB   8           H        AIB   8   1.965   3.242   1.070
   64    H    LEU   9           H        LEU   9   0.480   1.083   1.132
   65    HA   LEU   9           HA       LEU   9   0.013  -1.611   2.322
   66   1HB   LEU   9          1HB       LEU   9  -1.588   0.244   0.491
   67   2HB   LEU   9          2HB       LEU   9  -2.029  -1.421   0.600
   68    HG   LEU   9           HG       LEU   9  -1.932   0.412   3.059
   69   1HD1  LEU   9          1HD1      LEU   9  -4.351  -0.421   1.322
   70   2HD1  LEU   9          2HD1      LEU   9  -4.423   0.532   2.827
   71   3HD1  LEU   9          3HD1      LEU   9  -3.627   1.203   1.390
   72   1HD2  LEU   9          1HD2      LEU   9  -1.760  -2.022   3.687
   73   2HD2  LEU   9          2HD2      LEU   9  -3.347  -1.381   4.138
   74   3HD2  LEU   9          3HD2      LEU   9  -3.183  -2.403   2.689
   75   1HB1  AIB  10          1HB1      AIB  10   3.769  -0.932  -2.023
   76   2HB1  AIB  10          2HB1      AIB  10   3.270  -1.688  -3.539
   77   3HB1  AIB  10          3HB1      AIB  10   2.448  -0.227  -2.959
   78   1HB2  AIB  10          1HB2      AIB  10   0.219  -1.237  -3.125
   79   2HB2  AIB  10          2HB2      AIB  10   0.970  -2.700  -3.814
   80   3HB2  AIB  10          3HB2      AIB  10  -0.139  -2.837  -2.438
   81    H    AIB  10           H        AIB  10   1.673  -0.358  -0.467
   82    HA   HYP  11           HA       HYP  11   4.254  -5.628  -0.983
   83   1HB   HYP  11          1HB       HYP  11   5.432  -5.451   1.493
   84   2HB   HYP  11          2HB       HYP  11   6.083  -4.630   0.062
   85   1HD   HYP  11          1HD       HYP  11   3.216  -2.072   0.811
   86   2HD   HYP  11          2HD       HYP  11   4.582  -1.858  -0.289
   87    HOD  HYP  11           HOD      HYP  11   6.597  -3.135   2.227
   88    HG   HYP  11           HG       HYP  11   4.338  -3.448   2.281
   89    H    GLN  12           H        GLN  12   1.818  -4.229   1.130
   90    HA   GLN  12           HA       GLN  12   1.027  -6.862   2.204
   91   1HB   GLN  12          1HB       GLN  12   0.171  -4.016   2.952
   92   2HB   GLN  12          2HB       GLN  12  -0.624  -5.440   3.599
   93   1HG   GLN  12          1HG       GLN  12   1.445  -6.246   4.684
   94   2HG   GLN  12          2HG       GLN  12   2.394  -4.943   3.985
   95   1HE2  GLN  12          2HE2      GLN  12   2.291  -2.891   4.944
   96   2HE2  GLN  12          1HE2      GLN  12   1.352  -2.573   6.487
   97   1HB1  AIB  13          1HB1      AIB  13  -0.079  -5.750  -3.039
   98   2HB1  AIB  13          2HB1      AIB  13  -1.699  -6.220  -3.580
   99   3HB1  AIB  13          3HB1      AIB  13  -1.427  -4.662  -2.771
  100   1HB2  AIB  13          1HB2      AIB  13  -2.974  -4.855  -0.914
  101   2HB2  AIB  13          2HB2      AIB  13  -3.592  -6.182  -1.922
  102   3HB2  AIB  13          3HB2      AIB  13  -3.333  -6.439  -0.197
  103    H    AIB  13           H        AIB  13   0.454  -5.514  -0.731
  104    HA   HYP  14           HA       HYP  14  -0.714 -10.457  -2.661
  105   1HB   HYP  14          1HB       HYP  14   1.922 -11.242  -2.318
  106   2HB   HYP  14          2HB       HYP  14   1.352 -10.238  -3.656
  107   1HD   HYP  14          1HD       HYP  14   1.473  -7.247  -1.210
  108   2HD   HYP  14          2HD       HYP  14   1.182  -7.409  -2.946
  109    HOD  HYP  14           HOD      HYP  14   2.939  -8.400  -3.674
  110    HG   HYP  14           HG       HYP  14   2.584  -9.290  -0.992
  111   1HB1  AIB  15          1HB1      AIB  15   0.785  -9.501   2.962
  112   2HB1  AIB  15          2HB1      AIB  15   1.093 -10.985   3.879
  113   3HB1  AIB  15          3HB1      AIB  15   2.242 -10.425   2.653
  114   1HB2  AIB  15          1HB2      AIB  15   2.305 -12.470   1.315
  115   2HB2  AIB  15          2HB2      AIB  15   1.364 -13.222   2.621
  116   3HB2  AIB  15          3HB2      AIB  15   0.834 -13.390   0.937
  117    H    AIB  15           H        AIB  15   1.051  -9.772   0.429
  118    HA   PRO  16           HA       PRO  16  -3.637 -11.896   3.243
  119   1HB   PRO  16          1HB       PRO  16  -5.237  -9.721   2.676
  120   2HB   PRO  16          2HB       PRO  16  -4.117  -9.792   4.050
  121   1HG   PRO  16          1HG       PRO  16  -3.703  -8.419   1.364
  122   2HG   PRO  16          2HG       PRO  16  -3.316  -7.809   2.991
  123   1HD   PRO  16          1HD       PRO  16  -1.463  -9.015   1.245
  124   2HD   PRO  16          2HD       PRO  16  -1.237  -8.946   3.002
  125    H1   PHL  17           H1       PHL  17  -3.304 -13.093  -1.678
  126    H2   PHL  17           H2       PHL  17  -3.006 -11.603  -2.583
  127    HO   PHL  17           HO       PHL  17  -4.982 -12.101  -3.735
  128    HA   PHL  17           HA       PHL  17  -5.592 -12.225  -1.019
  129   1HB   PHL  17          1HB       PHL  17  -4.671  -9.670  -2.453
  130   2HB   PHL  17          2HB       PHL  17  -6.038 -10.679  -2.847
  131    HD1  PHL  17           HD1      PHL  17  -5.186  -7.668  -1.282
  132    HD2  PHL  17           HD2      PHL  17  -7.842 -11.007  -0.771
  133    HE1  PHL  17           HE1      PHL  17  -6.643  -6.294   0.143
  134    HE2  PHL  17           HE2      PHL  17  -9.293  -9.622   0.654
  135    HZ   PHL  17           HZ       PHL  17  -8.697  -7.266   1.119
  136    H    PHL  17           H        PHL  17  -3.387 -10.305  -0.061
  137    H1   ACE   1           H1       ACE   1  -1.084  12.275  -0.008
  138    H2   ACE   1           H2       ACE   1  -2.207  12.793   1.286
  139    H3   ACE   1           H3       ACE   1  -0.647  12.014   1.693
  Start of MODEL   17
    1    H    TRP   2           H        TRP   2  -3.801  11.166  -0.554
    2    HA   TRP   2           HA       TRP   2  -3.799   8.496   0.651
    3   1HB   TRP   2          1HB       TRP   2  -5.843   9.739  -0.280
    4   2HB   TRP   2          2HB       TRP   2  -5.303   9.328  -1.893
    5    HD1  TRP   2           HD1      TRP   2  -6.347   7.593   1.505
    6    HE1  TRP   2           HE1      TRP   2  -7.544   5.281   1.078
    7    HE3  TRP   2           HE3      TRP   2  -5.662   7.519  -3.557
    8    HZ2  TRP   2           HZ2      TRP   2  -8.115   3.789  -1.289
    9    HZ3  TRP   2           HZ3      TRP   2  -6.569   5.618  -4.855
   10    HH2  TRP   2           HH2      TRP   2  -7.788   3.792  -3.741
   11    H    ILE   3           H        ILE   3  -1.848   9.744  -1.915
   12    HA   ILE   3           HA       ILE   3  -1.200   7.171  -3.129
   13    HB   ILE   3           HB       ILE   3  -0.755   9.261  -4.321
   14   1HG1  ILE   3          1HG1      ILE   3   1.838   7.633  -4.051
   15   2HG1  ILE   3          2HG1      ILE   3   0.400   7.021  -4.845
   16   1HG2  ILE   3          1HG2      ILE   3   1.685   9.713  -2.475
   17   2HG2  ILE   3          2HG2      ILE   3   1.223  10.695  -3.883
   18   3HG2  ILE   3          3HG2      ILE   3   0.190  10.675  -2.442
   19   1HD1  ILE   3          1HD1      ILE   3   1.951   9.521  -5.772
   20   2HD1  ILE   3          2HD1      ILE   3   1.952   7.913  -6.531
   21   3HD1  ILE   3          3HD1      ILE   3   0.465   8.887  -6.531
   22    H    GLN   4           H        GLN   4   0.134   8.777  -0.321
   23    HA   GLN   4           HA       GLN   4   2.099   6.589   0.193
   24   1HB   GLN   4          1HB       GLN   4   1.401   9.113   1.730
   25   2HB   GLN   4          2HB       GLN   4   2.192   7.817   2.594
   26   1HG   GLN   4          1HG       GLN   4   3.337   8.883  -0.046
   27   2HG   GLN   4          2HG       GLN   4   3.699   9.620   1.507
   28   1HE2  GLN   4          2HE2      GLN   4   5.162   8.574   2.893
   29   2HE2  GLN   4          1HE2      GLN   4   6.066   7.051   2.412
   30   1HB1  DIV   5          1HB1      DIV   5  -0.424   4.517   3.853
   31   2HB1  DIV   5          2HB1      DIV   5  -1.445   5.865   4.272
   32   1HG1  DIV   5          1HG1      DIV   5  -2.549   2.997   3.971
   33   2HG1  DIV   5          2HG1      DIV   5  -1.991   3.720   5.495
   34   3HG1  DIV   5          3HG1      DIV   5  -3.390   4.412   4.650
   35   1HB2  DIV   5          1HB2      DIV   5  -3.425   5.991   1.008
   36   2HB2  DIV   5          2HB2      DIV   5  -3.929   4.962   2.343
   37   3HB2  DIV   5          3HB2      DIV   5  -3.353   6.608   2.668
   38    H    DIV   5           H        DIV   5  -1.217   7.149   1.344
   39    H    ILE   6           H        ILE   6  -2.051   4.917  -0.384
   40    HA   ILE   6           HA       ILE   6  -1.976   2.094  -0.731
   41    HB   ILE   6           HB       ILE   6  -1.510   4.331  -2.757
   42   1HG1  ILE   6          1HG1      ILE   6  -3.752   4.483  -1.802
   43   2HG1  ILE   6          2HG1      ILE   6  -3.831   4.017  -3.480
   44   1HG2  ILE   6          1HG2      ILE   6  -1.981   1.369  -3.441
   45   2HG2  ILE   6          2HG2      ILE   6  -2.075   2.720  -4.600
   46   3HG2  ILE   6          3HG2      ILE   6  -0.543   2.343  -3.811
   47   1HD1  ILE   6          1HD1      ILE   6  -4.272   2.137  -1.056
   48   2HD1  ILE   6          2HD1      ILE   6  -5.504   2.743  -2.175
   49   3HD1  ILE   6          3HD1      ILE   6  -4.292   1.588  -2.755
   50    H    THR   7           H        THR   7   0.835   4.305  -1.351
   51    HA   THR   7           HA       THR   7   2.616   2.183  -2.202
   52    HB   THR   7           HB       THR   7   3.371   4.883  -0.950
   53    HG1  THR   7           HG1      THR   7   3.436   5.539  -3.069
   54   1HG2  THR   7          1HG2      THR   7   5.455   4.751  -2.334
   55   2HG2  THR   7          2HG2      THR   7   5.434   3.470  -1.106
   56   3HG2  THR   7          3HG2      THR   7   5.062   3.079  -2.807
   57   1HB1  AIB   8          1HB1      AIB   8   1.306   2.929   3.392
   58   2HB1  AIB   8          2HB1      AIB   8   2.502   2.289   4.531
   59   3HB1  AIB   8          3HB1      AIB   8   2.871   3.745   3.587
   60   1HB2  AIB   8          1HB2      AIB   8   5.028   2.700   2.707
   61   2HB2  AIB   8          2HB2      AIB   8   4.695   1.267   3.702
   62   3HB2  AIB   8          3HB2      AIB   8   5.025   1.082   1.973
   63    H    AIB   8           H        AIB   8   2.124   3.382   1.062
   64    H    LEU   9           H        LEU   9   0.693   1.177   1.329
   65    HA   LEU   9           HA       LEU   9   0.430  -1.518   2.581
   66   1HB   LEU   9          1HB       LEU   9  -1.392   0.241   0.854
   67   2HB   LEU   9          2HB       LEU   9  -1.753  -1.437   1.058
   68    HG   LEU   9           HG       LEU   9  -1.532   0.485   3.438
   69   1HD1  LEU   9          1HD1      LEU   9  -4.055  -0.533   1.968
   70   2HD1  LEU   9          2HD1      LEU   9  -4.032   0.476   3.434
   71   3HD1  LEU   9          3HD1      LEU   9  -3.415   1.126   1.904
   72   1HD2  LEU   9          1HD2      LEU   9  -1.199  -1.893   4.160
   73   2HD2  LEU   9          2HD2      LEU   9  -2.792  -1.322   4.686
   74   3HD2  LEU   9          3HD2      LEU   9  -2.659  -2.399   3.274
   75   1HB1  AIB  10          1HB1      AIB  10   3.982  -0.936  -1.885
   76   2HB1  AIB  10          2HB1      AIB  10   3.425  -1.663  -3.397
   77   3HB1  AIB  10          3HB1      AIB  10   2.674  -0.176  -2.789
   78   1HB2  AIB  10          1HB2      AIB  10   0.398  -1.066  -2.880
   79   2HB2  AIB  10          2HB2      AIB  10   1.066  -2.537  -3.631
   80   3HB2  AIB  10          3HB2      AIB  10  -0.010  -2.664  -2.224
   81    H    AIB  10           H        AIB  10   1.862  -0.265  -0.328
   82    HA   HYP  11           HA       HYP  11   4.281  -5.678  -0.963
   83   1HB   HYP  11          1HB       HYP  11   5.536  -5.619   1.479
   84   2HB   HYP  11          2HB       HYP  11   6.180  -4.821   0.042
   85   1HD   HYP  11          1HD       HYP  11   3.406  -2.201   0.994
   86   2HD   HYP  11          2HD       HYP  11   4.715  -1.887  -0.147
   87    HOD  HYP  11           HOD      HYP  11   6.902  -3.366   2.118
   88    HG   HYP  11           HG       HYP  11   4.641  -3.562   2.358
   89    H    GLN  12           H        GLN  12   1.994  -4.229   1.279
   90    HA   GLN  12           HA       GLN  12   1.108  -6.847   2.293
   91   1HB   GLN  12          1HB       GLN  12   0.232  -4.014   3.081
   92   2HB   GLN  12          2HB       GLN  12  -0.442  -5.470   3.745
   93   1HG   GLN  12          1HG       GLN  12   1.066  -5.534   5.368
   94   2HG   GLN  12          2HG       GLN  12   2.307  -5.921   4.202
   95   1HE2  GLN  12          2HE2      GLN  12   3.888  -4.841   5.424
   96   2HE2  GLN  12          1HE2      GLN  12   3.929  -3.020   5.600
   97   1HB1  AIB  13          1HB1      AIB  13  -0.130  -5.553  -2.927
   98   2HB1  AIB  13          2HB1      AIB  13  -1.801  -5.887  -3.411
   99   3HB1  AIB  13          3HB1      AIB  13  -1.394  -4.404  -2.523
  100   1HB2  AIB  13          1HB2      AIB  13  -2.947  -4.671  -0.681
  101   2HB2  AIB  13          2HB2      AIB  13  -3.617  -5.976  -1.689
  102   3HB2  AIB  13          3HB2      AIB  13  -3.291  -6.264   0.016
  103    H    AIB  13           H        AIB  13   0.486  -5.399  -0.608
  104    HA   HYP  14           HA       HYP  14  -0.884 -10.219  -2.776
  105   1HB   HYP  14          1HB       HYP  14   1.718 -11.124  -2.515
  106   2HB   HYP  14          2HB       HYP  14   1.171 -10.029  -3.791
  107   1HD   HYP  14          1HD       HYP  14   1.442  -7.187  -1.167
  108   2HD   HYP  14          2HD       HYP  14   1.136  -7.218  -2.911
  109    HOD  HYP  14           HOD      HYP  14   2.835  -8.299  -3.752
  110    HG   HYP  14           HG       HYP  14   2.471  -9.276  -1.098
  111   1HB1  AIB  15          1HB1      AIB  15   0.649  -9.550   2.853
  112   2HB1  AIB  15          2HB1      AIB  15   0.894 -11.070   3.728
  113   3HB1  AIB  15          3HB1      AIB  15   2.074 -10.516   2.528
  114   1HB2  AIB  15          1HB2      AIB  15   2.075 -12.520   1.129
  115   2HB2  AIB  15          2HB2      AIB  15   1.087 -13.286   2.392
  116   3HB2  AIB  15          3HB2      AIB  15   0.574 -13.366   0.697
  117    H    AIB  15           H        AIB  15   0.915  -9.741   0.324
  118    HA   PRO  16           HA       PRO  16  -3.853 -11.826   3.044
  119   1HB   PRO  16          1HB       PRO  16  -5.362  -9.566   2.650
  120   2HB   PRO  16          2HB       PRO  16  -4.181  -9.715   3.964
  121   1HG   PRO  16          1HG       PRO  16  -3.819  -8.315   1.273
  122   2HG   PRO  16          2HG       PRO  16  -3.396  -7.712   2.892
  123   1HD   PRO  16          1HD       PRO  16  -1.580  -8.944   1.142
  124   2HD   PRO  16          2HD       PRO  16  -1.357  -8.932   2.898
  125    H1   PHL  17           H1       PHL  17  -3.198 -12.014  -2.367
  126    H2   PHL  17           H2       PHL  17  -3.424 -10.314  -2.790
  127    HO   PHL  17           HO       PHL  17  -5.215 -10.944  -4.038
  128    HA   PHL  17           HA       PHL  17  -5.506 -12.099  -1.380
  129   1HB   PHL  17          1HB       PHL  17  -5.529  -9.013  -1.682
  130   2HB   PHL  17          2HB       PHL  17  -6.431 -10.095  -2.705
  131    HD1  PHL  17           HD1      PHL  17  -6.497  -8.367   0.498
  132    HD2  PHL  17           HD2      PHL  17  -8.212 -11.677  -1.653
  133    HE1  PHL  17           HE1      PHL  17  -8.381  -8.436   2.081
  134    HE2  PHL  17           HE2      PHL  17 -10.086 -11.728  -0.061
  135    HZ   PHL  17           HZ       PHL  17 -10.181 -10.106   1.802
  136    H    PHL  17           H        PHL  17  -3.524 -10.095  -0.151
  137    H1   ACE   1           H1       ACE   1  -1.448  12.309  -0.494
  138    H2   ACE   1           H2       ACE   1  -2.554  12.834   0.812
  139    H3   ACE   1           H3       ACE   1  -0.900  12.268   1.196
  Start of MODEL   18
    1    H    TRP   2           H        TRP   2  -3.370  11.253  -0.005
    2    HA   TRP   2           HA       TRP   2  -4.242   8.467   0.238
    3   1HB   TRP   2          1HB       TRP   2  -5.664  10.138  -0.851
    4   2HB   TRP   2          2HB       TRP   2  -4.460  10.461  -2.079
    5    HD1  TRP   2           HD1      TRP   2  -6.406   7.220  -0.815
    6    HE1  TRP   2           HE1      TRP   2  -7.074   5.686  -2.855
    7    HE3  TRP   2           HE3      TRP   2  -4.350  10.167  -4.446
    8    HZ2  TRP   2           HZ2      TRP   2  -6.654   5.896  -5.677
    9    HZ3  TRP   2           HZ3      TRP   2  -4.507   9.442  -6.802
   10    HH2  TRP   2           HH2      TRP   2  -5.640   7.342  -7.410
   11    H    ILE   3           H        ILE   3  -1.545   9.987  -1.552
   12    HA   ILE   3           HA       ILE   3  -0.866   7.517  -2.991
   13    HB   ILE   3           HB       ILE   3   0.807  10.035  -2.649
   14   1HG1  ILE   3          1HG1      ILE   3  -1.180  10.581  -3.927
   15   2HG1  ILE   3          2HG1      ILE   3   0.211  10.610  -4.979
   16   1HG2  ILE   3          1HG2      ILE   3   1.406   7.684  -4.547
   17   2HG2  ILE   3          2HG2      ILE   3   2.213   9.272  -4.587
   18   3HG2  ILE   3          3HG2      ILE   3   2.392   8.231  -3.171
   19   1HD1  ILE   3          1HD1      ILE   3  -1.909   8.352  -4.887
   20   2HD1  ILE   3          2HD1      ILE   3  -1.736   9.598  -6.139
   21   3HD1  ILE   3          3HD1      ILE   3  -0.482   8.348  -5.956
   22    H    GLN   4           H        GLN   4   0.343   8.788   0.048
   23    HA   GLN   4           HA       GLN   4   2.110   6.389   0.408
   24   1HB   GLN   4          1HB       GLN   4   1.522   8.664   2.358
   25   2HB   GLN   4          2HB       GLN   4   2.409   7.234   2.830
   26   1HG   GLN   4          1HG       GLN   4   3.255   9.177   0.609
   27   2HG   GLN   4          2HG       GLN   4   3.918   9.086   2.237
   28   1HE2  GLN   4          2HE2      GLN   4   4.692   8.304  -0.810
   29   2HE2  GLN   4          1HE2      GLN   4   5.787   6.871  -0.478
   30   1HB1  DIV   5          1HB1      DIV   5  -0.855   4.398   3.796
   31   2HB1  DIV   5          2HB1      DIV   5  -1.850   5.786   4.164
   32   1HG1  DIV   5          1HG1      DIV   5  -3.011   2.966   3.659
   33   2HG1  DIV   5          2HG1      DIV   5  -2.658   3.673   5.250
   34   3HG1  DIV   5          3HG1      DIV   5  -3.907   4.395   4.217
   35   1HB2  DIV   5          1HB2      DIV   5  -3.494   6.108   0.738
   36   2HB2  DIV   5          2HB2      DIV   5  -4.160   5.126   2.025
   37   3HB2  DIV   5          3HB2      DIV   5  -3.501   6.731   2.396
   38    H    DIV   5           H        DIV   5  -1.196   7.150   1.343
   39    H    ILE   6           H        ILE   6  -2.051   5.010  -0.594
   40    HA   ILE   6           HA       ILE   6  -2.071   2.145  -0.822
   41    HB   ILE   6           HB       ILE   6  -1.836   2.363  -3.258
   42   1HG1  ILE   6          1HG1      ILE   6  -1.879   5.415  -2.887
   43   2HG1  ILE   6          2HG1      ILE   6  -0.439   4.508  -3.298
   44   1HG2  ILE   6          1HG2      ILE   6  -4.057   4.138  -2.072
   45   2HG2  ILE   6          2HG2      ILE   6  -4.097   3.280  -3.628
   46   3HG2  ILE   6          3HG2      ILE   6  -4.066   2.360  -2.119
   47   1HD1  ILE   6          1HD1      ILE   6  -2.943   4.724  -5.071
   48   2HD1  ILE   6          2HD1      ILE   6  -1.357   5.485  -5.327
   49   3HD1  ILE   6          3HD1      ILE   6  -1.512   3.713  -5.440
   50    H    THR   7           H        THR   7   0.739   4.319  -1.403
   51    HA   THR   7           HA       THR   7   2.486   2.206  -2.307
   52    HB   THR   7           HB       THR   7   3.320   4.864  -1.023
   53    HG1  THR   7           HG1      THR   7   3.407   5.504  -3.173
   54   1HG2  THR   7          1HG2      THR   7   5.381   4.668  -2.448
   55   2HG2  THR   7          2HG2      THR   7   5.331   3.372  -1.236
   56   3HG2  THR   7          3HG2      THR   7   4.910   3.017  -2.931
   57   1HB1  AIB   8          1HB1      AIB   8   1.235   2.766   3.372
   58   2HB1  AIB   8          2HB1      AIB   8   2.464   2.079   4.443
   59   3HB1  AIB   8          3HB1      AIB   8   2.811   3.568   3.545
   60   1HB2  AIB   8          1HB2      AIB   8   4.957   2.480   2.560
   61   2HB2  AIB   8          2HB2      AIB   8   4.583   1.060   3.558
   62   3HB2  AIB   8          3HB2      AIB   8   4.876   0.866   1.823
   63    H    AIB   8           H        AIB   8   2.028   3.309   1.006
   64    H    LEU   9           H        LEU   9   0.551   1.151   1.204
   65    HA   LEU   9           HA       LEU   9   0.223  -1.580   2.344
   66   1HB   LEU   9          1HB       LEU   9  -1.524   0.353   0.784
   67   2HB   LEU   9          2HB       LEU   9  -1.858  -1.328   0.622
   68    HG   LEU   9           HG       LEU   9  -3.192  -0.080   2.294
   69   1HD1  LEU   9          1HD1      LEU   9  -1.787  -2.599   3.412
   70   2HD1  LEU   9          2HD1      LEU   9  -3.405  -2.004   3.862
   71   3HD1  LEU   9          3HD1      LEU   9  -3.110  -2.602   2.219
   72   1HD2  LEU   9          1HD2      LEU   9  -1.416   1.223   3.521
   73   2HD2  LEU   9          2HD2      LEU   9  -2.474   0.296   4.598
   74   3HD2  LEU   9          3HD2      LEU   9  -0.826  -0.282   4.251
   75   1HB1  AIB  10          1HB1      AIB  10   3.890  -0.907  -2.039
   76   2HB1  AIB  10          2HB1      AIB  10   3.406  -1.700  -3.537
   77   3HB1  AIB  10          3HB1      AIB  10   2.581  -0.221  -3.000
   78   1HB2  AIB  10          1HB2      AIB  10   0.338  -1.203  -3.128
   79   2HB2  AIB  10          2HB2      AIB  10   1.078  -2.677  -3.808
   80   3HB2  AIB  10          3HB2      AIB  10  -0.030  -2.792  -2.425
   81    H    AIB  10           H        AIB  10   1.736  -0.290  -0.518
   82    HA   HYP  11           HA       HYP  11   4.322  -5.640  -1.008
   83   1HB   HYP  11          1HB       HYP  11   5.566  -5.454   1.425
   84   2HB   HYP  11          2HB       HYP  11   6.191  -4.664  -0.029
   85   1HD   HYP  11          1HD       HYP  11   3.326  -2.124   0.827
   86   2HD   HYP  11          2HD       HYP  11   4.647  -1.806  -0.299
   87    HOD  HYP  11           HOD      HYP  11   6.851  -3.158   2.005
   88    HG   HYP  11           HG       HYP  11   4.575  -3.418   2.245
   89    H    GLN  12           H        GLN  12   1.972  -4.150   1.157
   90    HA   GLN  12           HA       GLN  12   1.152  -6.736   2.303
   91   1HB   GLN  12          1HB       GLN  12   0.240  -3.873   2.883
   92   2HB   GLN  12          2HB       GLN  12  -0.475  -5.284   3.641
   93   1HG   GLN  12          1HG       GLN  12   1.672  -5.921   4.713
   94   2HG   GLN  12          2HG       GLN  12   2.511  -4.587   3.937
   95   1HE2  GLN  12          2HE2      GLN  12   2.168  -2.460   4.731
   96   2HE2  GLN  12          1HE2      GLN  12   1.285  -2.157   6.310
   97   1HB1  AIB  13          1HB1      AIB  13  -0.114  -5.750  -3.005
   98   2HB1  AIB  13          2HB1      AIB  13  -1.790  -6.087  -3.460
   99   3HB1  AIB  13          3HB1      AIB  13  -1.366  -4.576  -2.633
  100   1HB2  AIB  13          1HB2      AIB  13  -2.965  -4.817  -0.778
  101   2HB2  AIB  13          2HB2      AIB  13  -3.597  -6.178  -1.731
  102   3HB2  AIB  13          3HB2      AIB  13  -3.257  -6.392  -0.021
  103    H    AIB  13           H        AIB  13   0.496  -5.437  -0.688
  104    HA   HYP  14           HA       HYP  14  -0.697 -10.390  -2.639
  105   1HB   HYP  14          1HB       HYP  14   1.916 -11.221  -2.225
  106   2HB   HYP  14          2HB       HYP  14   1.395 -10.202  -3.579
  107   1HD   HYP  14          1HD       HYP  14   1.499  -7.217  -1.122
  108   2HD   HYP  14          2HD       HYP  14   1.239  -7.366  -2.866
  109    HOD  HYP  14           HOD      HYP  14   3.012  -8.443  -3.567
  110    HG   HYP  14           HG       HYP  14   2.558  -9.278  -0.878
  111   1HB1  AIB  15          1HB1      AIB  15   0.647  -9.473   3.014
  112   2HB1  AIB  15          2HB1      AIB  15   0.896 -10.959   3.948
  113   3HB1  AIB  15          3HB1      AIB  15   2.089 -10.430   2.747
  114   1HB2  AIB  15          1HB2      AIB  15   2.142 -12.488   1.419
  115   2HB2  AIB  15          2HB2      AIB  15   1.147 -13.209   2.703
  116   3HB2  AIB  15          3HB2      AIB  15   0.658 -13.372   1.008
  117    H    AIB  15           H        AIB  15   0.964  -9.741   0.513
  118    HA   PRO  16           HA       PRO  16  -3.840 -11.792   3.189
  119   1HB   PRO  16          1HB       PRO  16  -5.359  -9.561   2.658
  120   2HB   PRO  16          2HB       PRO  16  -4.236  -9.667   4.024
  121   1HG   PRO  16          1HG       PRO  16  -3.781  -8.317   1.329
  122   2HG   PRO  16          2HG       PRO  16  -3.404  -7.691   2.950
  123   1HD   PRO  16          1HD       PRO  16  -1.546  -8.952   1.258
  124   2HD   PRO  16          2HD       PRO  16  -1.364  -8.890   3.020
  125    H1   PHL  17           H1       PHL  17  -3.172 -10.775  -2.662
  126    H2   PHL  17           H2       PHL  17  -4.461 -11.698  -3.435
  127    HO   PHL  17           HO       PHL  17  -3.893 -13.486  -2.176
  128    HA   PHL  17           HA       PHL  17  -5.538 -12.118  -1.211
  129   1HB   PHL  17          1HB       PHL  17  -5.142  -9.127  -1.900
  130   2HB   PHL  17          2HB       PHL  17  -6.244 -10.216  -2.707
  131    HD1  PHL  17           HD1      PHL  17  -8.083 -11.437  -1.202
  132    HD2  PHL  17           HD2      PHL  17  -5.981  -7.881   0.012
  133    HE1  PHL  17           HE1      PHL  17  -9.828 -10.962   0.466
  134    HE2  PHL  17           HE2      PHL  17  -7.740  -7.421   1.669
  135    HZ   PHL  17           HZ       PHL  17  -9.663  -8.956   1.902
  136    H    PHL  17           H        PHL  17  -3.404 -10.209  -0.055
  137    H1   ACE   1           H1       ACE   1  -2.298  12.253   1.950
  138    H2   ACE   1           H2       ACE   1  -1.055  11.196   2.688
  139    H3   ACE   1           H3       ACE   1  -0.930  11.634   0.970
  Start of MODEL   19
    1    H    TRP   2           H        TRP   2  -3.273  11.446  -0.921
    2    HA   TRP   2           HA       TRP   2  -3.788   8.896   0.438
    3   1HB   TRP   2          1HB       TRP   2  -5.549   8.459  -0.918
    4   2HB   TRP   2          2HB       TRP   2  -5.593  10.184  -0.760
    5    HD1  TRP   2           HD1      TRP   2  -4.310  11.532  -3.122
    6    HE1  TRP   2           HE1      TRP   2  -4.767  11.048  -5.678
    7    HE3  TRP   2           HE3      TRP   2  -6.183   6.818  -2.492
    8    HZ2  TRP   2           HZ2      TRP   2  -5.847   8.795  -7.079
    9    HZ3  TRP   2           HZ3      TRP   2  -6.934   5.557  -4.476
   10    HH2  TRP   2           HH2      TRP   2  -6.773   6.529  -6.731
   11    H    ILE   3           H        ILE   3  -1.717   9.764  -2.285
   12    HA   ILE   3           HA       ILE   3  -0.912   7.068  -3.023
   13    HB   ILE   3           HB       ILE   3   1.206   8.029  -3.897
   14   1HG1  ILE   3          1HG1      ILE   3   0.201  10.834  -3.114
   15   2HG1  ILE   3          2HG1      ILE   3   1.388   9.957  -2.168
   16   1HG2  ILE   3          1HG2      ILE   3  -1.296   9.537  -4.859
   17   2HG2  ILE   3          2HG2      ILE   3   0.193   9.236  -5.788
   18   3HG2  ILE   3          3HG2      ILE   3  -0.836   7.875  -5.310
   19   1HD1  ILE   3          1HD1      ILE   3   1.788  10.817  -5.101
   20   2HD1  ILE   3          2HD1      ILE   3   2.563  11.507  -3.659
   21   3HD1  ILE   3          3HD1      ILE   3   2.950   9.845  -4.159
   22    H    GLN   4           H        GLN   4  -0.011   8.836  -0.176
   23    HA   GLN   4           HA       GLN   4   2.230   7.009   0.546
   24   1HB   GLN   4          1HB       GLN   4   0.805   9.244   2.077
   25   2HB   GLN   4          2HB       GLN   4   1.934   8.177   2.893
   26   1HG   GLN   4          1HG       GLN   4   3.764   8.736   1.353
   27   2HG   GLN   4          2HG       GLN   4   2.694   9.694   0.336
   28   1HE2  GLN   4          2HE2      GLN   4   4.549  11.210   0.801
   29   2HE2  GLN   4          1HE2      GLN   4   4.367  12.308   2.259
   30   1HB1  DIV   5          1HB1      DIV   5  -0.325   4.494   3.946
   31   2HB1  DIV   5          2HB1      DIV   5  -1.349   5.817   4.435
   32   1HG1  DIV   5          1HG1      DIV   5  -2.414   2.945   4.053
   33   2HG1  DIV   5          2HG1      DIV   5  -1.901   3.668   5.593
   34   3HG1  DIV   5          3HG1      DIV   5  -3.301   4.332   4.732
   35   1HB2  DIV   5          1HB2      DIV   5  -3.356   6.086   1.198
   36   2HB2  DIV   5          2HB2      DIV   5  -3.843   4.982   2.480
   37   3HB2  DIV   5          3HB2      DIV   5  -3.283   6.614   2.890
   38    H    DIV   5           H        DIV   5  -1.153   7.273   1.655
   39    H    ILE   6           H        ILE   6  -1.829   5.154  -0.259
   40    HA   ILE   6           HA       ILE   6  -2.046   2.347  -0.724
   41    HB   ILE   6           HB       ILE   6  -1.413   4.568  -2.718
   42   1HG1  ILE   6          1HG1      ILE   6  -3.594   4.972  -1.711
   43   2HG1  ILE   6          2HG1      ILE   6  -3.774   4.522  -3.381
   44   1HG2  ILE   6          1HG2      ILE   6  -2.276   1.691  -3.400
   45   2HG2  ILE   6          2HG2      ILE   6  -2.210   3.051  -4.549
   46   3HG2  ILE   6          3HG2      ILE   6  -0.725   2.464  -3.797
   47   1HD1  ILE   6          1HD1      ILE   6  -4.369   2.718  -0.934
   48   2HD1  ILE   6          2HD1      ILE   6  -5.553   3.501  -2.003
   49   3HD1  ILE   6          3HD1      ILE   6  -4.534   2.183  -2.629
   50    H    THR   7           H        THR   7   0.936   4.358  -1.313
   51    HA   THR   7           HA       THR   7   2.572   2.125  -2.179
   52    HB   THR   7           HB       THR   7   3.524   4.722  -0.850
   53    HG1  THR   7           HG1      THR   7   3.772   5.342  -2.989
   54   1HG2  THR   7          1HG2      THR   7   5.663   4.381  -2.108
   55   2HG2  THR   7          2HG2      THR   7   5.432   3.076  -0.929
   56   3HG2  THR   7          3HG2      THR   7   5.118   2.775  -2.655
   57   1HB1  AIB   8          1HB1      AIB   8   1.095   2.825   3.347
   58   2HB1  AIB   8          2HB1      AIB   8   2.175   2.089   4.539
   59   3HB1  AIB   8          3HB1      AIB   8   2.694   3.531   3.650
   60   1HB2  AIB   8          1HB2      AIB   8   4.831   2.363   2.811
   61   2HB2  AIB   8          2HB2      AIB   8   4.361   0.969   3.805
   62   3HB2  AIB   8          3HB2      AIB   8   4.741   0.742   2.091
   63    H    AIB   8           H        AIB   8   2.060   3.279   1.088
   64    H    LEU   9           H        LEU   9   0.484   1.136   1.236
   65    HA   LEU   9           HA       LEU   9   0.008  -1.568   2.398
   66   1HB   LEU   9          1HB       LEU   9  -1.617   0.345   0.652
   67   2HB   LEU   9          2HB       LEU   9  -2.060  -1.326   0.709
   68    HG   LEU   9           HG       LEU   9  -1.906   0.403   3.238
   69   1HD1  LEU   9          1HD1      LEU   9  -4.361  -0.360   1.520
   70   2HD1  LEU   9          2HD1      LEU   9  -4.405   0.521   3.069
   71   3HD1  LEU   9          3HD1      LEU   9  -3.643   1.265   1.647
   72   1HD2  LEU   9          1HD2      LEU   9  -1.726  -2.051   3.766
   73   2HD2  LEU   9          2HD2      LEU   9  -3.309  -1.436   4.263
   74   3HD2  LEU   9          3HD2      LEU   9  -3.160  -2.396   2.772
   75   1HB1  AIB  10          1HB1      AIB  10   3.625  -0.863  -2.089
   76   2HB1  AIB  10          2HB1      AIB  10   3.068  -1.629  -3.580
   77   3HB1  AIB  10          3HB1      AIB  10   2.261  -0.169  -2.971
   78   1HB2  AIB  10          1HB2      AIB  10   0.035  -1.176  -3.033
   79   2HB2  AIB  10          2HB2      AIB  10   0.771  -2.623  -3.768
   80   3HB2  AIB  10          3HB2      AIB  10  -0.287  -2.787  -2.353
   81    H    AIB  10           H        AIB  10   1.590  -0.298  -0.447
   82    HA   HYP  11           HA       HYP  11   4.127  -5.582  -1.061
   83   1HB   HYP  11          1HB       HYP  11   5.421  -5.395   1.352
   84   2HB   HYP  11          2HB       HYP  11   6.017  -4.606  -0.120
   85   1HD   HYP  11          1HD       HYP  11   3.202  -2.018   0.766
   86   2HD   HYP  11          2HD       HYP  11   4.508  -1.799  -0.402
   87    HOD  HYP  11           HOD      HYP  11   6.652  -3.058   2.012
   88    HG   HYP  11           HG       HYP  11   4.419  -3.366   2.177
   89    H    GLN  12           H        GLN  12   1.795  -4.163   1.141
   90    HA   GLN  12           HA       GLN  12   1.044  -6.802   2.233
   91   1HB   GLN  12          1HB       GLN  12   0.170  -3.966   2.985
   92   2HB   GLN  12          2HB       GLN  12  -0.576  -5.388   3.664
   93   1HG   GLN  12          1HG       GLN  12   1.027  -5.737   5.212
   94   2HG   GLN  12          2HG       GLN  12   2.307  -5.739   4.037
   95   1HE2  GLN  12          2HE2      GLN  12   0.543  -3.722   6.281
   96   2HE2  GLN  12          1HE2      GLN  12   1.709  -2.307   6.202
   97   1HB1  AIB  13          1HB1      AIB  13  -0.225  -5.706  -2.992
   98   2HB1  AIB  13          2HB1      AIB  13  -1.856  -6.191  -3.485
   99   3HB1  AIB  13          3HB1      AIB  13  -1.580  -4.646  -2.651
  100   1HB2  AIB  13          1HB2      AIB  13  -3.129  -4.948  -0.827
  101   2HB2  AIB  13          2HB2      AIB  13  -3.695  -6.357  -1.756
  102   3HB2  AIB  13          3HB2      AIB  13  -3.353  -6.520  -0.038
  103    H    AIB  13           H        AIB  13   0.360  -5.447  -0.681
  104    HA   HYP  14           HA       HYP  14  -0.677 -10.399  -2.715
  105   1HB   HYP  14          1HB       HYP  14   1.975 -11.139  -2.399
  106   2HB   HYP  14          2HB       HYP  14   1.376 -10.111  -3.709
  107   1HD   HYP  14          1HD       HYP  14   1.436  -7.186  -1.170
  108   2HD   HYP  14          2HD       HYP  14   1.143  -7.295  -2.912
  109    HOD  HYP  14           HOD      HYP  14   2.927  -8.323  -3.720
  110    HG   HYP  14           HG       HYP  14   2.597  -9.208  -1.025
  111   1HB1  AIB  15          1HB1      AIB  15   0.860  -9.588   2.898
  112   2HB1  AIB  15          2HB1      AIB  15   1.129 -11.090   3.802
  113   3HB1  AIB  15          3HB1      AIB  15   2.299 -10.539   2.590
  114   1HB2  AIB  15          1HB2      AIB  15   2.349 -12.525   1.200
  115   2HB2  AIB  15          2HB2      AIB  15   1.401 -13.318   2.476
  116   3HB2  AIB  15          3HB2      AIB  15   0.879 -13.429   0.787
  117    H    AIB  15           H        AIB  15   1.101  -9.804   0.386
  118    HA   PRO  16           HA       PRO  16  -3.575 -12.022   3.182
  119   1HB   PRO  16          1HB       PRO  16  -5.173  -9.818   2.767
  120   2HB   PRO  16          2HB       PRO  16  -4.010  -9.949   4.100
  121   1HG   PRO  16          1HG       PRO  16  -3.669  -8.477   1.452
  122   2HG   PRO  16          2HG       PRO  16  -3.246  -7.918   3.087
  123   1HD   PRO  16          1HD       PRO  16  -1.422  -9.055   1.272
  124   2HD   PRO  16          2HD       PRO  16  -1.175  -9.072   3.029
  125    H1   PHL  17           H1       PHL  17  -3.279 -12.948  -1.721
  126    H2   PHL  17           H2       PHL  17  -2.988 -11.424  -2.569
  127    HO   PHL  17           HO       PHL  17  -4.743 -11.887  -3.894
  128    HA   PHL  17           HA       PHL  17  -5.603 -12.133  -1.085
  129   1HB   PHL  17          1HB       PHL  17  -4.663  -9.377  -2.125
  130   2HB   PHL  17          2HB       PHL  17  -5.774 -10.413  -2.969
  131    HD1  PHL  17           HD1      PHL  17  -5.521  -7.933  -0.303
  132    HD2  PHL  17           HD2      PHL  17  -8.043 -11.020  -1.926
  133    HE1  PHL  17           HE1      PHL  17  -7.462  -6.985   0.879
  134    HE2  PHL  17           HE2      PHL  17  -9.968 -10.063  -0.731
  135    HZ   PHL  17           HZ       PHL  17  -9.686  -8.045   0.669
  136    H    PHL  17           H        PHL  17  -3.452 -10.225   0.001
  137    H1   ACE   1           H1       ACE   1  -0.855  12.275  -0.619
  138    H2   ACE   1           H2       ACE   1  -1.940  13.056   0.572
  139    H3   ACE   1           H3       ACE   1  -0.437  12.246   1.108
  Start of MODEL   20
    1    H    TRP   2           H        TRP   2  -2.969  11.279   0.163
    2    HA   TRP   2           HA       TRP   2  -4.201   8.604   0.206
    3   1HB   TRP   2          1HB       TRP   2  -4.081  10.702  -2.037
    4   2HB   TRP   2          2HB       TRP   2  -4.939   9.187  -2.179
    5    HD1  TRP   2           HD1      TRP   2  -5.172  12.616  -0.354
    6    HE1  TRP   2           HE1      TRP   2  -7.615  13.055   0.543
    7    HE3  TRP   2           HE3      TRP   2  -6.993   7.954  -1.355
    8    HZ2  TRP   2           HZ2      TRP   2  -9.957  11.421   0.710
    9    HZ3  TRP   2           HZ3      TRP   2  -9.355   7.455  -0.824
   10    HH2  TRP   2           HH2      TRP   2 -10.814   9.160   0.192
   11    H    ILE   3           H        ILE   3  -1.549  10.070  -1.705
   12    HA   ILE   3           HA       ILE   3  -0.773   7.550  -2.947
   13    HB   ILE   3           HB       ILE   3  -0.297   9.713  -4.023
   14   1HG1  ILE   3          1HG1      ILE   3   1.976   9.223  -4.935
   15   2HG1  ILE   3          2HG1      ILE   3   2.230   7.989  -3.714
   16   1HG2  ILE   3          1HG2      ILE   3   2.083  10.062  -2.115
   17   2HG2  ILE   3          2HG2      ILE   3   1.597  11.137  -3.443
   18   3HG2  ILE   3          3HG2      ILE   3   0.570  10.995  -2.003
   19   1HD1  ILE   3          1HD1      ILE   3  -0.012   7.919  -5.857
   20   2HD1  ILE   3          2HD1      ILE   3   1.544   7.057  -5.958
   21   3HD1  ILE   3          3HD1      ILE   3   0.369   6.609  -4.704
   22    H    GLN   4           H        GLN   4   0.222   8.946   0.088
   23    HA   GLN   4           HA       GLN   4   2.268   6.857   0.661
   24   1HB   GLN   4          1HB       GLN   4   0.853   8.726   2.656
   25   2HB   GLN   4          2HB       GLN   4   2.035   7.517   3.091
   26   1HG   GLN   4          1HG       GLN   4   3.507   9.182   2.960
   27   2HG   GLN   4          2HG       GLN   4   3.631   8.685   1.290
   28   1HE2  GLN   4          2HE2      GLN   4   3.062  10.265  -0.262
   29   2HE2  GLN   4          1HE2      GLN   4   2.375  11.908   0.165
   30   1HB1  DIV   5          1HB1      DIV   5  -0.580   4.359   3.729
   31   2HB1  DIV   5          2HB1      DIV   5  -1.613   5.685   4.195
   32   1HG1  DIV   5          1HG1      DIV   5  -2.640   2.811   3.725
   33   2HG1  DIV   5          2HG1      DIV   5  -2.266   3.555   5.293
   34   3HG1  DIV   5          3HG1      DIV   5  -3.601   4.189   4.312
   35   1HB2  DIV   5          1HB2      DIV   5  -3.423   6.119   0.891
   36   2HB2  DIV   5          2HB2      DIV   5  -4.024   4.976   2.093
   37   3HB2  DIV   5          3HB2      DIV   5  -3.423   6.565   2.607
   38    H    DIV   5           H        DIV   5  -1.182   7.180   1.506
   39    H    ILE   6           H        ILE   6  -1.989   5.068  -0.567
   40    HA   ILE   6           HA       ILE   6  -2.067   2.237  -0.930
   41    HB   ILE   6           HB       ILE   6  -3.080   3.799  -2.467
   42   1HG1  ILE   6          1HG1      ILE   6  -2.829   1.389  -3.005
   43   2HG1  ILE   6          2HG1      ILE   6  -3.114   2.470  -4.345
   44   1HG2  ILE   6          1HG2      ILE   6  -0.343   4.319  -3.749
   45   2HG2  ILE   6          2HG2      ILE   6  -1.928   4.860  -4.359
   46   3HG2  ILE   6          3HG2      ILE   6  -1.313   5.470  -2.811
   47   1HD1  ILE   6          1HD1      ILE   6  -0.356   1.208  -3.735
   48   2HD1  ILE   6          2HD1      ILE   6  -1.513   0.684  -4.972
   49   3HD1  ILE   6          3HD1      ILE   6  -0.736   2.275  -5.109
   50    H    THR   7           H        THR   7   0.836   4.350  -1.364
   51    HA   THR   7           HA       THR   7   2.621   2.257  -2.246
   52    HB   THR   7           HB       THR   7   3.308   4.828  -0.710
   53    HG1  THR   7           HG1      THR   7   3.617   5.610  -2.768
   54   1HG2  THR   7          1HG2      THR   7   5.536   4.724  -1.860
   55   2HG2  THR   7          2HG2      THR   7   5.343   3.353  -0.744
   56   3HG2  THR   7          3HG2      THR   7   5.149   3.107  -2.502
   57   1HB1  AIB   8          1HB1      AIB   8   0.965   2.691   3.277
   58   2HB1  AIB   8          2HB1      AIB   8   2.023   1.905   4.460
   59   3HB1  AIB   8          3HB1      AIB   8   2.558   3.384   3.640
   60   1HB2  AIB   8          1HB2      AIB   8   4.712   2.252   2.804
   61   2HB2  AIB   8          2HB2      AIB   8   4.226   0.814   3.722
   62   3HB2  AIB   8          3HB2      AIB   8   4.642   0.665   2.008
   63    H    AIB   8           H        AIB   8   1.942   3.206   1.056
   64    H    LEU   9           H        LEU   9   0.405   1.078   1.088
   65    HA   LEU   9           HA       LEU   9  -0.103  -1.651   2.165
   66   1HB   LEU   9          1HB       LEU   9  -1.656   0.277   0.366
   67   2HB   LEU   9          2HB       LEU   9  -2.094  -1.395   0.386
   68    HG   LEU   9           HG       LEU   9  -2.032   0.299   2.946
   69   1HD1  LEU   9          1HD1      LEU   9  -4.443  -0.400   1.140
   70   2HD1  LEU   9          2HD1      LEU   9  -4.518   0.446   2.707
   71   3HD1  LEU   9          3HD1      LEU   9  -3.711   1.213   1.325
   72   1HD2  LEU   9          1HD2      LEU   9  -1.894  -2.171   3.427
   73   2HD2  LEU   9          2HD2      LEU   9  -3.484  -1.544   3.888
   74   3HD2  LEU   9          3HD2      LEU   9  -3.300  -2.477   2.382
   75   1HB1  AIB  10          1HB1      AIB  10   3.698  -0.861  -2.158
   76   2HB1  AIB  10          2HB1      AIB  10   3.232  -1.658  -3.661
   77   3HB1  AIB  10          3HB1      AIB  10   2.360  -0.212  -3.106
   78   1HB2  AIB  10          1HB2      AIB  10   0.173  -1.289  -3.276
   79   2HB2  AIB  10          2HB2      AIB  10   0.974  -2.736  -3.939
   80   3HB2  AIB  10          3HB2      AIB  10  -0.147  -2.889  -2.576
   81    H    AIB  10           H        AIB  10   1.604  -0.347  -0.592
   82    HA   HYP  11           HA       HYP  11   4.296  -5.546  -1.029
   83   1HB   HYP  11          1HB       HYP  11   5.475  -5.267   1.434
   84   2HB   HYP  11          2HB       HYP  11   6.115  -4.475  -0.019
   85   1HD   HYP  11          1HD       HYP  11   3.206  -1.944   0.653
   86   2HD   HYP  11          2HD       HYP  11   4.565  -1.766  -0.457
   87    HOD  HYP  11           HOD      HYP  11   6.605  -2.922   2.089
   88    HG   HYP  11           HG       HYP  11   4.328  -3.280   2.164
   89    H    GLN  12           H        GLN  12   1.836  -4.128   1.030
   90    HA   GLN  12           HA       GLN  12   1.114  -6.718   2.246
   91   1HB   GLN  12          1HB       GLN  12   0.177  -3.868   2.861
   92   2HB   GLN  12          2HB       GLN  12  -0.523  -5.290   3.610
   93   1HG   GLN  12          1HG       GLN  12   1.618  -5.920   4.676
   94   2HG   GLN  12          2HG       GLN  12   2.460  -4.603   3.864
   95   1HE2  GLN  12          2HE2      GLN  12   3.059  -3.496   5.706
   96   2HE2  GLN  12          1HE2      GLN  12   1.859  -2.732   6.868
   97   1HB1  AIB  13          1HB1      AIB  13  -0.166  -5.830  -3.053
   98   2HB1  AIB  13          2HB1      AIB  13  -1.819  -6.271  -3.511
   99   3HB1  AIB  13          3HB1      AIB  13  -1.485  -4.717  -2.722
  100   1HB2  AIB  13          1HB2      AIB  13  -3.070  -4.980  -0.867
  101   2HB2  AIB  13          2HB2      AIB  13  -3.631  -6.392  -1.792
  102   3HB2  AIB  13          3HB2      AIB  13  -3.295  -6.551  -0.074
  103    H    AIB  13           H        AIB  13   0.422  -5.444  -0.736
  104    HA   HYP  14           HA       HYP  14  -0.578 -10.483  -2.576
  105   1HB   HYP  14          1HB       HYP  14   2.065 -11.209  -2.170
  106   2HB   HYP  14          2HB       HYP  14   1.498 -10.220  -3.524
  107   1HD   HYP  14          1HD       HYP  14   1.494  -7.209  -1.115
  108   2HD   HYP  14          2HD       HYP  14   1.240  -7.403  -2.856
  109    HOD  HYP  14           HOD      HYP  14   3.060  -8.426  -3.541
  110    HG   HYP  14           HG       HYP  14   2.637  -9.227  -0.837
  111   1HB1  AIB  15          1HB1      AIB  15   0.759  -9.471   3.065
  112   2HB1  AIB  15          2HB1      AIB  15   0.998 -10.946   4.019
  113   3HB1  AIB  15          3HB1      AIB  15   2.205 -10.430   2.827
  114   1HB2  AIB  15          1HB2      AIB  15   2.295 -12.470   1.523
  115   2HB2  AIB  15          2HB2      AIB  15   1.294 -13.208   2.790
  116   3HB2  AIB  15          3HB2      AIB  15   0.838 -13.383   1.089
  117    H    AIB  15           H        AIB  15   1.011  -9.722   0.586
  118    HA   PRO  16           HA       PRO  16  -3.690 -11.849   3.304
  119   1HB   PRO  16          1HB       PRO  16  -5.254  -9.646   2.764
  120   2HB   PRO  16          2HB       PRO  16  -4.138  -9.745   4.137
  121   1HG   PRO  16          1HG       PRO  16  -3.703  -8.354   1.461
  122   2HG   PRO  16          2HG       PRO  16  -3.314  -7.757   3.091
  123   1HD   PRO  16          1HD       PRO  16  -1.471  -8.976   1.339
  124   2HD   PRO  16          2HD       PRO  16  -1.253  -8.921   3.097
  125    H1   PHL  17           H1       PHL  17  -2.866 -11.279  -2.357
  126    H2   PHL  17           H2       PHL  17  -4.137 -12.206  -3.155
  127    HO   PHL  17           HO       PHL  17  -3.938 -13.696  -1.318
  128    HA   PHL  17           HA       PHL  17  -5.526 -12.150  -1.043
  129   1HB   PHL  17          1HB       PHL  17  -4.741  -9.369  -2.128
  130   2HB   PHL  17          2HB       PHL  17  -5.829 -10.488  -2.903
  131    HD1  PHL  17           HD1      PHL  17  -8.081 -11.077  -1.833
  132    HD2  PHL  17           HD2      PHL  17  -5.564  -7.957  -0.262
  133    HE1  PHL  17           HE1      PHL  17  -9.985 -10.162  -0.573
  134    HE2  PHL  17           HE2      PHL  17  -7.483  -7.057   0.990
  135    HZ   PHL  17           HZ       PHL  17  -9.693  -8.156   0.839
  136    H    PHL  17           H        PHL  17  -3.465 -10.150   0.084
  137    H1   ACE   1           H1       ACE   1  -1.997  11.993   2.385
  138    H2   ACE   1           H2       ACE   1  -0.828  10.759   2.948
  139    H3   ACE   1           H3       ACE   1  -0.691  11.412   1.301