*HEADER    ANTIBIOTIC                              31-OCT-03   1R9U              
*TITLE     REFINED STRUCTURE OF PEPTAIBOL ZERVAMICIN IIB IN METHANOL             
*TITLE    2 SOLUTION FROM TRANS-HYDROGEN BOND J COUPLINGS                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZERVAMICIN IIB;                                            
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA;                  
*SOURCE   3 ORGANISM_COMMON: FUNGI;                                              
*SOURCE   4 STRAIN: 336 IMI 58330;                                               
*SOURCE   5 OTHER_DETAILS: FUNGUS WAS CULTIVATED ON LABELED 13C-15N              
*SOURCE   6 MEDIUM                                                               
*KEYWDS    BENT HELIX, BIFURCATED HYDROGEN BOND                                  
*EXPDTA    NMR, 24 STRUCTURES                                                    
*AUTHOR    Z.O.SHENKAREV, T.A.BALASHOVA, Z.A.YAKIMENKO,                          
*AUTHOR   2 T.V.OVCHINNIKOVA, A.S.ARSENIEV                                       
*REVDAT   1   09-NOV-04 1R9U    0                                                
  
         O       5 DIV  N       2.80                
         O       5 DIV  HN      1.80                
  2 TRP  
         QB      6 ILE  HG13    3.00                
         O       6 ILE  N       2.80                
         O       6 ILE  HN      1.80                
  3 ILE  
         HA      3 ILE  HG13    3.00                
         QD1     6 ILE  HB      3.00                
         O       7 THR  N       2.80                
         O       7 THR  HN      1.80                
  4 GLN  
         O       8 AIB  N       2.80                
         O       8 AIB  HN      1.80                
  5 DIV  
         QG1     9 LEU  HG      3.00                
         O       9 LEU  N       2.80                
         O       9 LEU  HN      1.80                
  6 ILE  
         QG2     7 THR  HG1     3.00                
         O      10 AIB  N       2.80                
         O      10 AIB  HN      1.80                
  9 LEU  
         HB3    12 GLN  HB3     3.00                
         QD1    12 GLN  HB3     3.00                
         O      12 GLN  N       2.80                
         O      12 GLN  HN      1.80                
         O      13 AIB  N       3.10                
         O      13 AIB  HN      1.80                
 10 AIB  
         O      13 AIB  N       3.10                
         O      13 AIB  HN      1.80                
 11 HYP  
         HA     14 HYP  HG      3.00                
 12 GLN  
         HA     15 AIB  QB2     3.00                
         HA     16 PRO  QG      3.00                
         HA     16 PRO  HD3     3.00                
         HB3    15 AIB  QB2     3.00                
         HB3    16 PRO  HD3     3.00                
         QG     15 AIB  QB2     3.00                
         O      15 AIB  N       2.80                
         O      15 AIB  HN      1.80                
 14 HYP  
         O      17 PHL  N       2.80                
         O      17 PHL  HN      1.80                
 15 AIB  
         QB2    16 PRO  HD3     3.00                
 16 PRO  
         HB2    17 PHL  HB2     3.00                

         QA      3 ILE  HN      6.25                
         QA      3 ILE  HA      6.38                
         QA      5 DIV  HN      6.38                
         O       5 DIV  HN      2.30                
  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 DIV  HN      4.38                
         HA      5 DIV  QB2     5.66                
         QB      3 ILE  HN      4.86                
         QB      5 DIV  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                
         O       6 ILE  HN      2.30                
  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 DIV  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                
         QD1     4 GLN  HA      6.53                
         QD1     7 THR  HG1     6.53                
         O       7 THR  HN      2.30                
  4 GLN  
         HN      4 GLN  HB2     3.08                
         HN      4 GLN  HB3     3.86                
         HN      5 DIV  HN      2.96                
         HA      4 GLN  HB3     2.99                
         HA      4 GLN  QG      3.71                
         HA      5 DIV  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 DIV  HN      3.30                
         HB3     5 DIV  HN      3.89                
         QG      8 AIB  HN      6.00                
         O       8 AIB  HN      2.30                
  5 DIV  
         HN      6 ILE  HN      3.67                
         QB1     8 AIB  QB1     6.55                
         QB2     6 ILE  HN      4.54                
         QB2     6 ILE  HA      6.53                
         O       9 LEU  HN      2.30                
  6 ILE  
         HN      6 ILE  HA      2.77                
         HN      6 ILE  HB      2.68                
         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                
         O      10 AIB  HN      2.30                
  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  HD3     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  HD2     5.50                
         HA     11 HYP  HD2     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                
         O      12 GLN  HN      2.30                
         O      13 AIB  HN      2.50                
 10 AIB  
         HN     10 AIB  QB1     3.61                
         HN     11 HYP  HD2     4.04                
         HN     11 HYP  HD3     3.24                
         QB1    11 HYP  HG      6.53                
         QB1    11 HYP  HD3     3.52                
         QB1    12 GLN  HN      6.16                
         QB2    11 HYP  HD2     4.82                
         QB2    12 GLN  HN      5.01                
         QB2    13 AIB  HN      5.23                
         QB2    14 HYP  HD2     5.97                
         O      13 AIB  HN      2.50                
 11 HYP  
         HA     13 AIB  HN      5.10                
         HA     14 HYP  HD3     5.50                
         HB2    12 GLN  HN      3.83                
         HD2    12 GLN  HN      3.27                
         HD3    12 GLN  HN      5.19                
         HD3    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  HD2     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                
         O      15 AIB  HN      2.30                
 13 AIB  
         HN     13 AIB  QB1     3.68                
         HN     14 HYP  HD2     3.76                
         HN     14 HYP  HD3     2.96                
         HN     15 AIB  HN      4.79                
         QB1    14 HYP  HG      6.53                
         QB1    14 HYP  HD3     3.58                
         QB2    16 PRO  HD3     6.03                
 14 HYP  
         HB2    15 AIB  HN      4.07                
         HD2    15 AIB  HN      3.61                
         HD2    15 AIB  QB2     6.53                
         HD3    15 AIB  HN      4.82                
         O      17 PHL  HN      2.30                
 15 AIB  
         HN     16 PRO  HD2     3.80                
         HN     16 PRO  HD3     3.70                
         HN     17 PHL  HN      4.91                
         QB1    16 PRO  HD3     4.02                
 16 PRO  
         HD2    17 PHL  HN      3.61                
         HD2    17 PHL  HB2     5.50                
         HD3    17 PHL  HN      5.50                
 17 PHL  
         HN     17 PHL  HB2     3.45                

   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 PHL   PHI    -140.0   -100.0
  17 PHL   CHI1    -90.0   -30.0
#________________________________________


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   1          1H        ACE   1 -10.990   2.195   5.525
    2   2H    ACE   1          2H        ACE   1 -11.626   3.425   4.407
    3   3H    ACE   1          3H        ACE   1 -11.415   1.746   3.856
    4    H    TRP   2           H        TRP   2  -9.457   4.329   5.474
    5    HA   TRP   2           HA       TRP   2  -7.607   4.399   3.338
    6   1HB   TRP   2          1HB       TRP   2  -6.396   5.945   4.668
    7   2HB   TRP   2          2HB       TRP   2  -8.104   6.290   4.850
    8    HD1  TRP   2           HD       TRP   2  -9.171   5.882   7.318
    9    HE1  TRP   2           1HE      TRP   2  -8.183   5.568   9.745
   10    HE3  TRP   2           3HE      TRP   2  -4.412   4.895   5.822
   11    HZ2  TRP   2           2HZ      TRP   2  -5.581   4.956  10.744
   12    HZ3  TRP   2           3HZ      TRP   2  -2.709   4.450   7.587
   13    HH2  TRP   2           HH       TRP   2  -3.229   4.470   9.975
   14    H    ILE   3           H        ILE   3  -7.936   2.604   6.411
   15    HA   ILE   3           HA       ILE   3  -5.238   1.731   6.472
   16    HB   ILE   3           HB       ILE   3  -6.719   1.975   8.439
   17   1HG1  ILE   3          1HG1      ILE   3  -5.980  -0.138   9.549
   18   2HG1  ILE   3          2HG1      ILE   3  -5.482  -0.756   7.987
   19   1HG2  ILE   3          1HG2      ILE   3  -8.071  -0.507   7.343
   20   2HG2  ILE   3          2HG2      ILE   3  -8.329   0.191   8.961
   21   3HG2  ILE   3          3HG2      ILE   3  -8.792   1.113   7.510
   22   1HD1  ILE   3          1HD1      ILE   3  -4.475   1.953   8.882
   23   2HD1  ILE   3          2HD1      ILE   3  -3.723   0.473   9.526
   24   3HD1  ILE   3          3HD1      ILE   3  -3.719   0.784   7.774
   25    H    GLN   4           H        GLN   4  -8.196   0.689   4.849
   26    HA   GLN   4           HA       GLN   4  -7.133  -1.849   4.161
   27   1HB   GLN   4          1HB       GLN   4  -9.550  -0.222   3.403
   28   2HB   GLN   4          2HB       GLN   4  -9.083  -1.535   2.340
   29   1HG   GLN   4          1HG       GLN   4  -9.296  -3.176   4.097
   30   2HG   GLN   4          2HG       GLN   4  -9.362  -1.947   5.344
   31   1HE2  GLN   4          1HE2      GLN   4 -11.039  -3.315   2.563
   32   2HE2  GLN   4          2HE2      GLN   4 -12.650  -2.865   3.015
   33   1HN   DIV   5          H         DIV   5  -7.683   1.275   2.376
   34   1HB1  DIV   5          2HB1      DIV   5  -6.393  -0.495  -0.302
   35   2HB1  DIV   5          3HB1      DIV   5  -5.917   0.983  -1.170
   36   1HG1  DIV   5          1HG1      DIV   5  -8.136   1.870  -1.040
   37   2HG1  DIV   5          2HG1      DIV   5  -8.266   0.188  -1.604
   38   3HG1  DIV   5          3HG1      DIV   5  -8.648   0.592   0.087
   39   1HB2  DIV   5          1HB2      DIV   5  -7.512   2.911   0.893
   40   2HB2  DIV   5          2HB2      DIV   5  -5.997   3.223   1.772
   41   3HB2  DIV   5          3HB2      DIV   5  -5.996   3.157  -0.008
   42    H    ILE   6           H        ILE   6  -4.812   1.550   3.152
   43    HA   ILE   6           HA       ILE   6  -2.314   1.908   1.817
   44    HB   ILE   6           HB       ILE   6  -3.240   3.097   3.897
   45   1HG1  ILE   6          1HG1      ILE   6  -0.385   2.088   4.011
   46   2HG1  ILE   6          2HG1      ILE   6  -0.940   3.305   2.879
   47   1HG2  ILE   6          1HG2      ILE   6  -2.840   2.151   6.028
   48   2HG2  ILE   6          2HG2      ILE   6  -3.713   0.915   5.090
   49   3HG2  ILE   6          3HG2      ILE   6  -1.955   0.770   5.336
   50   1HD1  ILE   6          1HD1      ILE   6  -0.010   4.458   4.801
   51   2HD1  ILE   6          2HD1      ILE   6  -1.777   4.671   4.855
   52   3HD1  ILE   6          3HD1      ILE   6  -0.990   3.483   5.923
   53    H    THR   7           H        THR   7  -3.995  -0.688   3.591
   54    HA   THR   7           HA       THR   7  -1.702  -2.335   3.889
   55    HB   THR   7           HB       THR   7  -4.726  -2.774   3.974
   56    HG1  THR   7           1HG      THR   7  -3.918  -1.645   5.780
   57   1HG2  THR   7          1HG2      THR   7  -4.158  -4.917   5.157
   58   2HG2  THR   7          2HG2      THR   7  -3.655  -4.961   3.450
   59   3HG2  THR   7          3HG2      THR   7  -2.447  -4.682   4.728
   60   1HN   AIB   8          H         AIB   8  -4.267  -2.044   1.378
   61   1HB1  AIB   8          1HB1      AIB   8  -5.589  -3.001  -0.317
   62   2HB1  AIB   8          2HB1      AIB   8  -4.730  -1.632  -1.064
   63   3HB1  AIB   8          3HB1      AIB   8  -4.777  -3.210  -1.888
   64   1HB2  AIB   8          1HB2      AIB   8  -3.687  -5.044  -1.147
   65   2HB2  AIB   8          2HB2      AIB   8  -2.384  -4.983   0.064
   66   3HB2  AIB   8          3HB2      AIB   8  -4.085  -5.026   0.587
   67    H    LEU   9           H        LEU   9  -2.314  -0.800  -0.004
   68    HA   LEU   9           HA       LEU   9  -0.877  -1.113  -2.499
   69   1HB   LEU   9          1HB       LEU   9  -1.338   1.231  -0.656
   70   2HB   LEU   9          2HB       LEU   9  -0.337   1.307  -2.092
   71    HG   LEU   9           HG       LEU   9  -3.251   0.496  -2.170
   72   1HD1  LEU   9          1HD1      LEU   9  -2.074   3.264  -2.546
   73   2HD1  LEU   9          2HD1      LEU   9  -3.759   2.794  -2.874
   74   3HD1  LEU   9          3HD1      LEU   9  -3.124   2.728  -1.212
   75   1HD2  LEU   9          1HD2      LEU   9  -3.000   1.248  -4.569
   76   2HD2  LEU   9          2HD2      LEU   9  -1.244   1.309  -4.283
   77   3HD2  LEU   9          3HD2      LEU   9  -2.120  -0.233  -4.123
   78   1HN   AIB  10          H         AIB  10  -0.382  -1.591   0.883
   79   1HB1  AIB  10          1HB1      AIB  10   1.678  -1.571   3.342
   80   2HB1  AIB  10          2HB1      AIB  10   0.292  -2.365   2.557
   81   3HB1  AIB  10          3HB1      AIB  10   1.901  -3.125   2.502
   82   1HB2  AIB  10          1HB2      AIB  10   1.353   0.473   2.149
   83   2HB2  AIB  10          2HB2      AIB  10   3.046  -0.078   2.154
   84   3HB2  AIB  10          3HB2      AIB  10   2.319   0.553   0.656
   85    HA   HYP  11           HA       HYP  11   4.418  -4.218   0.077
   86   1HB   HYP  11          1HB       HYP  11   3.156  -6.191  -1.453
   87   2HB   HYP  11          2HB       HYP  11   3.266  -6.238   0.295
   88   1HD   HYP  11          1HD       HYP  11   0.519  -3.470  -0.750
   89   2HD   HYP  11          2HD       HYP  11   0.680  -3.917   0.936
   90    HOD  HYP  11           HOD      HYP  11   1.382  -5.944   1.550
   91    HG   HYP  11           HG       HYP  11   0.885  -5.682  -1.369
   92    H    GLN  12           H        GLN  12   2.367  -2.503  -2.062
   93    HA   GLN  12           HA       GLN  12   3.824  -3.355  -4.388
   94   1HB   GLN  12          1HB       GLN  12   1.578  -1.313  -4.079
   95   2HB   GLN  12          2HB       GLN  12   2.227  -1.870  -5.608
   96   1HG   GLN  12          1HG       GLN  12   1.591  -4.239  -4.955
   97   2HG   GLN  12          2HG       GLN  12   0.835  -3.599  -3.509
   98   1HE2  GLN  12          1HE2      GLN  12   0.769  -3.708  -7.006
   99   2HE2  GLN  12          2HE2      GLN  12  -0.867  -3.189  -7.238
  100   1HN   AIB  13          H         AIB  13   3.759  -0.705  -2.046
  101   1HB1  AIB  13          1HB1      AIB  13   5.711   1.402  -1.005
  102   2HB1  AIB  13          2HB1      AIB  13   4.469   2.502  -1.647
  103   3HB1  AIB  13          3HB1      AIB  13   3.994   0.931  -0.958
  104   1HB2  AIB  13          1HB2      AIB  13   4.644   2.697  -3.915
  105   2HB2  AIB  13          2HB2      AIB  13   4.267   1.273  -4.916
  106   3HB2  AIB  13          3HB2      AIB  13   3.132   1.797  -3.647
  107    HA   HYP  14           HA       HYP  14   8.944   0.864  -2.600
  108   1HB   HYP  14          1HB       HYP  14   9.836  -1.586  -1.586
  109   2HB   HYP  14          2HB       HYP  14   9.346  -0.237  -0.580
  110   1HD   HYP  14          1HD       HYP  14   6.042  -1.934  -2.162
  111   2HD   HYP  14          2HD       HYP  14   5.861  -0.710  -0.921
  112    HOD  HYP  14           HOD      HYP  14   6.913  -1.966   0.948
  113    HG   HYP  14           HG       HYP  14   7.906  -2.777  -1.056
  114   1HN   AIB  15          H         AIB  15   7.257  -1.757  -4.211
  115   1HB1  AIB  15          1HB1      AIB  15   7.605  -4.513  -5.672
  116   2HB1  AIB  15          2HB1      AIB  15   6.605  -3.047  -5.538
  117   3HB1  AIB  15          3HB1      AIB  15   7.535  -3.356  -7.024
  118   1HB2  AIB  15          1HB2      AIB  15   9.901  -4.500  -5.273
  119   2HB2  AIB  15          2HB2      AIB  15  10.466  -3.204  -4.192
  120   3HB2  AIB  15          3HB2      AIB  15   9.010  -4.140  -3.776
  121    HA   PRO  16           HA       PRO  16   9.832  -1.345  -8.987
  122   1HB   PRO  16          1HB       PRO  16   8.684   1.069  -9.554
  123   2HB   PRO  16          2HB       PRO  16   7.914  -0.465  -9.907
  124   1HG   PRO  16          1HG       PRO  16   7.308   1.459  -7.746
  125   2HG   PRO  16          2HG       PRO  16   6.310   0.162  -8.372
  126   1HD   PRO  16          1HD       PRO  16   7.794   0.153  -5.918
  127   2HD   PRO  16          2HD       PRO  16   6.891  -1.184  -6.601
  128    H1   PHL  17           1H       PHL  17  13.312  -0.180  -6.417
  129    H2   PHL  17           2H       PHL  17  12.567   0.212  -4.842
  130    HO   PHL  17           HO       PHL  17  14.686   0.887  -4.694
  131    HA   PHL  17           HA       PHL  17  12.398   1.926  -7.354
  132   2HN   PHL  17          H         PHL  17  10.175   0.455  -6.157
  133   1HB   PHL  17          2HB       PHL  17  10.908   2.022  -4.663
  134   2HB   PHL  17          3HB       PHL  17  12.269   3.063  -5.031
  135    HD1  PHL  17           1HD      PHL  17   8.738   2.419  -5.648
  136    HD2  PHL  17           2HD      PHL  17  12.048   4.868  -6.673
  137    HE1  PHL  17           1HE      PHL  17   7.179   4.093  -6.682
  138    HE2  PHL  17           2HE      PHL  17  10.489   6.542  -7.707
  139    HZ   PHL  17           HZ       PHL  17   8.073   6.134  -7.698
  Start of MODEL    2
    1   1H    ACE   1          1H        ACE   1 -11.096   1.984   5.426
    2   2H    ACE   1          2H        ACE   1 -11.706   3.310   4.408
    3   3H    ACE   1          3H        ACE   1 -11.483   1.686   3.714
    4    H    TRP   2           H        TRP   2  -9.603   4.193   5.527
    5    HA   TRP   2           HA       TRP   2  -7.709   4.398   3.442
    6   1HB   TRP   2          1HB       TRP   2  -6.577   5.926   4.847
    7   2HB   TRP   2          2HB       TRP   2  -8.298   6.202   5.039
    8    HD1  TRP   2           HD       TRP   2  -9.351   5.660   7.482
    9    HE1  TRP   2           1HE      TRP   2  -8.361   5.261   9.895
   10    HE3  TRP   2           3HE      TRP   2  -4.567   4.864   5.957
   11    HZ2  TRP   2           2HZ      TRP   2  -5.746   4.670  10.873
   12    HZ3  TRP   2           3HZ      TRP   2  -2.855   4.383   7.705
   13    HH2  TRP   2           HH       TRP   2  -3.381   4.278  10.090
   14    H    ILE   3           H        ILE   3  -8.102   2.403   6.364
   15    HA   ILE   3           HA       ILE   3  -5.344   1.651   6.460
   16    HB   ILE   3           HB       ILE   3  -7.418   1.715   8.242
   17   1HG1  ILE   3          1HG1      ILE   3  -5.006   1.893   8.715
   18   2HG1  ILE   3          2HG1      ILE   3  -5.834   0.826   9.833
   19   1HG2  ILE   3          1HG2      ILE   3  -6.903  -1.188   7.545
   20   2HG2  ILE   3          2HG2      ILE   3  -7.755  -0.611   8.998
   21   3HG2  ILE   3          3HG2      ILE   3  -8.440  -0.305   7.384
   22   1HD1  ILE   3          1HD1      ILE   3  -5.061  -1.157   8.559
   23   2HD1  ILE   3          2HD1      ILE   3  -4.257  -0.089   7.382
   24   3HD1  ILE   3          3HD1      ILE   3  -3.681  -0.153   9.065
   25    H    GLN   4           H        GLN   4  -8.296   0.531   4.870
   26    HA   GLN   4           HA       GLN   4  -7.173  -1.952   4.116
   27   1HB   GLN   4          1HB       GLN   4  -9.600  -0.342   3.381
   28   2HB   GLN   4          2HB       GLN   4  -9.087  -1.578   2.250
   29   1HG   GLN   4          1HG       GLN   4  -9.251  -3.319   3.943
   30   2HG   GLN   4          2HG       GLN   4  -9.461  -2.140   5.224
   31   1HE2  GLN   4          1HE2      GLN   4 -10.909  -3.750   2.499
   32   2HE2  GLN   4          2HE2      GLN   4 -12.560  -3.322   2.798
   33   1HN   DIV   5          H         DIV   5  -7.706   1.222   2.421
   34   1HB1  DIV   5          2HB1      DIV   5  -6.384  -0.475  -0.285
   35   2HB1  DIV   5          3HB1      DIV   5  -5.894   1.021  -1.113
   36   1HG1  DIV   5          1HG1      DIV   5  -8.240   0.229  -1.593
   37   2HG1  DIV   5          2HG1      DIV   5  -8.643   0.619   0.095
   38   3HG1  DIV   5          3HG1      DIV   5  -8.109   1.905  -1.013
   39   1HB2  DIV   5          1HB2      DIV   5  -7.536   2.892   0.968
   40   2HB2  DIV   5          2HB2      DIV   5  -6.039   3.194   1.884
   41   3HB2  DIV   5          3HB2      DIV   5  -6.004   3.173   0.103
   42    H    ILE   6           H        ILE   6  -4.844   1.548   3.222
   43    HA   ILE   6           HA       ILE   6  -2.336   1.928   1.923
   44    HB   ILE   6           HB       ILE   6  -3.279   3.072   4.015
   45   1HG1  ILE   6          1HG1      ILE   6  -0.428   2.045   4.104
   46   2HG1  ILE   6          2HG1      ILE   6  -0.981   3.334   3.053
   47   1HG2  ILE   6          1HG2      ILE   6  -2.943   2.081   6.127
   48   2HG2  ILE   6          2HG2      ILE   6  -3.762   0.845   5.144
   49   3HG2  ILE   6          3HG2      ILE   6  -2.010   0.730   5.440
   50   1HD1  ILE   6          1HD1      ILE   6  -1.820   4.557   5.133
   51   2HD1  ILE   6          2HD1      ILE   6  -0.993   3.314   6.101
   52   3HD1  ILE   6          3HD1      ILE   6  -0.053   4.377   5.026
   53    H    THR   7           H        THR   7  -4.024  -0.720   3.606
   54    HA   THR   7           HA       THR   7  -1.729  -2.364   3.893
   55    HB   THR   7           HB       THR   7  -4.748  -2.871   3.878
   56    HG1  THR   7           1HG      THR   7  -4.385  -2.143   5.935
   57   1HG2  THR   7          1HG2      THR   7  -2.437  -4.671   4.782
   58   2HG2  THR   7          2HG2      THR   7  -4.160  -4.976   5.105
   59   3HG2  THR   7          3HG2      THR   7  -3.547  -5.015   3.434
   60   1HN   AIB   8          H         AIB   8  -4.249  -2.000   1.348
   61   1HB1  AIB   8          1HB1      AIB   8  -5.554  -2.948  -0.368
   62   2HB1  AIB   8          2HB1      AIB   8  -4.707  -1.560  -1.092
   63   3HB1  AIB   8          3HB1      AIB   8  -4.732  -3.125  -1.938
   64   1HB2  AIB   8          1HB2      AIB   8  -3.628  -4.950  -1.230
   65   2HB2  AIB   8          2HB2      AIB   8  -2.316  -4.896  -0.027
   66   3HB2  AIB   8          3HB2      AIB   8  -4.012  -4.976   0.508
   67    H    LEU   9           H        LEU   9  -2.319  -0.710   0.013
   68    HA   LEU   9           HA       LEU   9  -0.859  -0.937  -2.477
   69   1HB   LEU   9          1HB       LEU   9  -1.336   1.344  -0.558
   70   2HB   LEU   9          2HB       LEU   9  -0.338   1.471  -1.992
   71    HG   LEU   9           HG       LEU   9  -3.241   0.632  -2.107
   72   1HD1  LEU   9          1HD1      LEU   9  -3.148   2.818  -1.038
   73   2HD1  LEU   9          2HD1      LEU   9  -2.114   3.435  -2.348
   74   3HD1  LEU   9          3HD1      LEU   9  -3.792   2.951  -2.692
   75   1HD2  LEU   9          1HD2      LEU   9  -3.016   1.471  -4.462
   76   2HD2  LEU   9          2HD2      LEU   9  -1.265   1.615  -4.178
   77   3HD2  LEU   9          3HD2      LEU   9  -2.053   0.022  -4.083
   78   1HN   AIB  10          H         AIB  10  -0.373  -1.435   0.926
   79   1HB1  AIB  10          1HB1      AIB  10   2.037  -2.857   2.649
   80   2HB1  AIB  10          2HB1      AIB  10   1.526  -1.318   3.379
   81   3HB1  AIB  10          3HB1      AIB  10   0.337  -2.340   2.535
   82   1HB2  AIB  10          1HB2      AIB  10   1.355   0.660   2.117
   83   2HB2  AIB  10          2HB2      AIB  10   3.037   0.085   2.208
   84   3HB2  AIB  10          3HB2      AIB  10   2.382   0.680   0.663
   85    HA   HYP  11           HA       HYP  11   4.425  -4.079   0.125
   86   1HB   HYP  11          1HB       HYP  11   3.140  -6.081  -1.348
   87   2HB   HYP  11          2HB       HYP  11   3.287  -6.101   0.397
   88   1HD   HYP  11          1HD       HYP  11   0.506  -3.360  -0.633
   89   2HD   HYP  11          2HD       HYP  11   0.705  -3.781   1.057
   90    HOD  HYP  11           HOD      HYP  11  -0.014  -6.015   1.002
   91    HG   HYP  11           HG       HYP  11   0.869  -5.579  -1.226
   92    H    GLN  12           H        GLN  12   2.331  -2.395  -1.993
   93    HA   GLN  12           HA       GLN  12   3.711  -3.290  -4.344
   94   1HB   GLN  12          1HB       GLN  12   1.499  -1.223  -3.964
   95   2HB   GLN  12          2HB       GLN  12   2.116  -1.743  -5.520
   96   1HG   GLN  12          1HG       GLN  12   1.434  -4.087  -5.028
   97   2HG   GLN  12          2HG       GLN  12   0.859  -3.601  -3.446
   98   1HE2  GLN  12          1HE2      GLN  12  -1.029  -4.735  -4.588
   99   2HE2  GLN  12          2HE2      GLN  12  -2.183  -3.714  -5.378
  100   1HN   AIB  13          H         AIB  13   3.765  -0.608  -2.036
  101   1HB1  AIB  13          1HB1      AIB  13   5.713   1.417  -1.029
  102   2HB1  AIB  13          2HB1      AIB  13   4.611   2.623  -1.735
  103   3HB1  AIB  13          3HB1      AIB  13   3.956   1.122  -1.036
  104   1HB2  AIB  13          1HB2      AIB  13   4.287   1.297  -4.968
  105   2HB2  AIB  13          2HB2      AIB  13   3.158   1.865  -3.713
  106   3HB2  AIB  13          3HB2      AIB  13   4.682   2.738  -4.002
  107    HA   HYP  14           HA       HYP  14   8.951   0.861  -2.639
  108   1HB   HYP  14          1HB       HYP  14   9.805  -1.590  -1.594
  109   2HB   HYP  14          2HB       HYP  14   9.331  -0.223  -0.605
  110   1HD   HYP  14          1HD       HYP  14   6.008  -1.892  -2.179
  111   2HD   HYP  14          2HD       HYP  14   5.841  -0.651  -0.954
  112    HOD  HYP  14           HOD      HYP  14   6.864  -1.895   0.933
  113    HG   HYP  14           HG       HYP  14   7.856  -2.748  -1.057
  114   1HN   AIB  15          H         AIB  15   7.201  -1.672  -4.277
  115   1HB1  AIB  15          1HB1      AIB  15   7.455  -4.417  -5.887
  116   2HB1  AIB  15          2HB1      AIB  15   6.506  -2.940  -5.600
  117   3HB1  AIB  15          3HB1      AIB  15   7.416  -3.132  -7.118
  118   1HB2  AIB  15          1HB2      AIB  15   8.747  -4.184  -3.862
  119   2HB2  AIB  15          2HB2      AIB  15   9.698  -4.554  -5.320
  120   3HB2  AIB  15          3HB2      AIB  15  10.277  -3.329  -4.166
  121    HA   PRO  16           HA       PRO  16   9.865  -1.484  -9.019
  122   1HB   PRO  16          1HB       PRO  16   8.937   1.006  -9.659
  123   2HB   PRO  16          2HB       PRO  16   8.023  -0.461  -9.949
  124   1HG   PRO  16          1HG       PRO  16   7.629   1.583  -7.851
  125   2HG   PRO  16          2HG       PRO  16   6.505   0.365  -8.421
  126   1HD   PRO  16          1HD       PRO  16   8.017   0.301  -5.984
  127   2HD   PRO  16          2HD       PRO  16   6.984  -0.968  -6.610
  128    H1   PHL  17           1H       PHL  17  13.620  -0.369  -6.686
  129    H2   PHL  17           2H       PHL  17  12.884  -0.069  -5.085
  130    HO   PHL  17           HO       PHL  17  15.025   0.599  -4.966
  131    HA   PHL  17           HA       PHL  17  12.651   1.712  -7.545
  132   2HN   PHL  17          H         PHL  17  10.449   0.305  -6.242
  133   1HB   PHL  17          2HB       PHL  17  11.487   1.837  -4.699
  134   2HB   PHL  17          3HB       PHL  17  12.633   2.981  -5.372
  135    HD1  PHL  17           1HD      PHL  17  11.823   4.213  -7.558
  136    HD2  PHL  17           2HD      PHL  17   9.234   2.355  -4.755
  137    HE1  PHL  17           1HE      PHL  17   9.924   5.640  -8.367
  138    HE2  PHL  17           2HE      PHL  17   7.334   3.783  -5.564
  139    HZ   PHL  17           HZ       PHL  17   7.701   5.408  -7.360
  Start of MODEL    3
    1   1H    ACE   1          1H        ACE   1 -11.245   1.834   5.899
    2   2H    ACE   1          2H        ACE   1 -12.023   2.714   4.562
    3   3H    ACE   1          3H        ACE   1 -11.464   1.041   4.320
    4    H    TRP   2           H        TRP   2 -10.031   4.062   5.710
    5    HA   TRP   2           HA       TRP   2  -8.196   4.430   3.651
    6   1HB   TRP   2          1HB       TRP   2  -8.885   6.089   5.386
    7   2HB   TRP   2          2HB       TRP   2  -7.899   5.228   6.551
    8    HD1  TRP   2           HD       TRP   2  -7.506   7.402   3.372
    9    HE1  TRP   2           1HE      TRP   2  -5.070   8.404   3.205
   10    HE3  TRP   2           3HE      TRP   2  -5.600   4.805   7.307
   11    HZ2  TRP   2           2HZ      TRP   2  -2.674   8.007   4.703
   12    HZ3  TRP   2           3HZ      TRP   2  -3.204   5.170   7.888
   13    HH2  TRP   2           HH       TRP   2  -1.755   6.707   6.659
   14    H    ILE   3           H        ILE   3  -8.122   2.509   6.700
   15    HA   ILE   3           HA       ILE   3  -5.361   1.987   6.603
   16    HB   ILE   3           HB       ILE   3  -7.286   1.757   8.461
   17   1HG1  ILE   3          1HG1      ILE   3  -4.947   1.949   8.967
   18   2HG1  ILE   3          2HG1      ILE   3  -5.598   0.580   9.843
   19   1HG2  ILE   3          1HG2      ILE   3  -8.340  -0.190   7.480
   20   2HG2  ILE   3          2HG2      ILE   3  -6.794  -1.071   7.489
   21   3HG2  ILE   3          3HG2      ILE   3  -7.575  -0.628   9.026
   22   1HD1  ILE   3          1HD1      ILE   3  -3.924   0.515   7.298
   23   2HD1  ILE   3          2HD1      ILE   3  -3.503  -0.144   8.897
   24   3HD1  ILE   3          3HD1      ILE   3  -4.781  -0.912   7.927
   25    H    GLN   4           H        GLN   4  -8.232   0.456   5.148
   26    HA   GLN   4           HA       GLN   4  -6.857  -1.903   4.449
   27   1HB   GLN   4          1HB       GLN   4  -9.519  -0.660   3.765
   28   2HB   GLN   4          2HB       GLN   4  -8.944  -1.991   2.780
   29   1HG   GLN   4          1HG       GLN   4  -8.745  -3.447   4.744
   30   2HG   GLN   4          2HG       GLN   4  -9.098  -2.114   5.826
   31   1HE2  GLN   4          1HE2      GLN   4 -11.173  -1.232   5.919
   32   2HE2  GLN   4          2HE2      GLN   4 -12.578  -2.088   5.375
   33   1HN   DIV   5          H         DIV   5  -7.873   1.075   2.633
   34   1HB1  DIV   5          2HB1      DIV   5  -6.613  -0.650  -0.113
   35   2HB1  DIV   5          3HB1      DIV   5  -6.399   0.848  -1.048
   36   1HG1  DIV   5          1HG1      DIV   5  -8.665  -0.244  -1.242
   37   2HG1  DIV   5          2HG1      DIV   5  -8.941   0.183   0.463
   38   3HG1  DIV   5          3HG1      DIV   5  -8.687   1.465  -0.745
   39   1HB2  DIV   5          1HB2      DIV   5  -6.577   3.028   0.066
   40   2HB2  DIV   5          2HB2      DIV   5  -8.001   2.660   1.068
   41   3HB2  DIV   5          3HB2      DIV   5  -6.473   3.151   1.840
   42    H    ILE   6           H        ILE   6  -5.008   1.801   3.108
   43    HA   ILE   6           HA       ILE   6  -2.589   2.113   1.682
   44    HB   ILE   6           HB       ILE   6  -3.577   2.418   4.424
   45   1HG1  ILE   6          1HG1      ILE   6  -2.061   4.409   4.298
   46   2HG1  ILE   6          2HG1      ILE   6  -1.586   3.905   2.689
   47   1HG2  ILE   6          1HG2      ILE   6  -1.269   2.447   5.395
   48   2HG2  ILE   6          2HG2      ILE   6  -1.890   0.827   4.996
   49   3HG2  ILE   6          3HG2      ILE   6  -0.702   1.614   3.928
   50   1HD1  ILE   6          1HD1      ILE   6  -4.451   4.506   3.559
   51   2HD1  ILE   6          2HD1      ILE   6  -3.408   5.594   2.612
   52   3HD1  ILE   6          3HD1      ILE   6  -3.939   4.043   1.919
   53    H    THR   7           H        THR   7  -3.984  -0.478   3.767
   54    HA   THR   7           HA       THR   7  -1.684  -2.049   3.914
   55    HB   THR   7           HB       THR   7  -4.683  -2.633   4.059
   56    HG1  THR   7           1HG      THR   7  -3.725  -1.317   5.742
   57   1HG2  THR   7          1HG2      THR   7  -3.976  -4.710   5.300
   58   2HG2  THR   7          2HG2      THR   7  -3.532  -4.780   3.578
   59   3HG2  THR   7          3HG2      THR   7  -2.295  -4.404   4.803
   60   1HN   AIB   8          H         AIB   8  -4.293  -1.918   1.438
   61   1HB1  AIB   8          1HB1      AIB   8  -5.641  -3.040  -0.168
   62   2HB1  AIB   8          2HB1      AIB   8  -4.864  -1.657  -0.974
   63   3HB1  AIB   8          3HB1      AIB   8  -4.859  -3.259  -1.753
   64   1HB2  AIB   8          1HB2      AIB   8  -3.698  -5.040  -0.937
   65   2HB2  AIB   8          2HB2      AIB   8  -2.366  -4.874   0.233
   66   3HB2  AIB   8          3HB2      AIB   8  -4.052  -4.938   0.804
   67    H    LEU   9           H        LEU   9  -2.408  -0.711  -0.049
   68    HA   LEU   9           HA       LEU   9  -1.042  -1.085  -2.570
   69   1HB   LEU   9          1HB       LEU   9  -1.394   1.297  -0.748
   70   2HB   LEU   9          2HB       LEU   9  -0.480   1.332  -2.243
   71    HG   LEU   9           HG       LEU   9  -3.371   0.475  -2.209
   72   1HD1  LEU   9          1HD1      LEU   9  -4.007   2.793  -2.740
   73   2HD1  LEU   9          2HD1      LEU   9  -3.322   2.637  -1.104
   74   3HD1  LEU   9          3HD1      LEU   9  -2.335   3.315  -2.421
   75   1HD2  LEU   9          1HD2      LEU   9  -1.977   0.008  -4.212
   76   2HD2  LEU   9          2HD2      LEU   9  -3.345   1.100  -4.533
   77   3HD2  LEU   9          3HD2      LEU   9  -1.698   1.757  -4.384
   78   1HN   AIB  10          H         AIB  10  -0.422  -1.555   0.787
   79   1HB1  AIB  10          1HB1      AIB  10   0.294  -2.009   2.584
   80   2HB1  AIB  10          2HB1      AIB  10   1.749  -3.008   2.359
   81   3HB1  AIB  10          3HB1      AIB  10   1.869  -1.437   3.186
   82   1HB2  AIB  10          1HB2      AIB  10   2.994   0.123   1.912
   83   2HB2  AIB  10          2HB2      AIB  10   2.223   0.664   0.401
   84   3HB2  AIB  10          3HB2      AIB  10   1.292   0.641   1.918
   85    HA   HYP  11           HA       HYP  11   4.370  -4.123   0.045
   86   1HB   HYP  11          1HB       HYP  11   3.129  -6.137  -1.446
   87   2HB   HYP  11          2HB       HYP  11   3.204  -6.128   0.304
   88   1HD   HYP  11          1HD       HYP  11   0.494  -3.383  -0.886
   89   2HD   HYP  11          2HD       HYP  11   0.618  -3.776   0.818
   90    HOD  HYP  11           HOD      HYP  11   0.845  -7.093   0.439
   91    HG   HYP  11           HG       HYP  11   0.859  -5.616  -1.425
   92    H    GLN  12           H        GLN  12   2.389  -2.447  -2.178
   93    HA   GLN  12           HA       GLN  12   3.880  -3.364  -4.454
   94   1HB   GLN  12          1HB       GLN  12   1.649  -1.300  -4.195
   95   2HB   GLN  12          2HB       GLN  12   2.352  -1.814  -5.717
   96   1HG   GLN  12          1HG       GLN  12   1.673  -4.181  -5.217
   97   2HG   GLN  12          2HG       GLN  12   0.945  -3.645  -3.715
   98   1HE2  GLN  12          1HE2      GLN  12   0.786  -3.577  -7.200
   99   2HE2  GLN  12          2HE2      GLN  12  -0.845  -3.021  -7.366
  100   1HN   AIB  13          H         AIB  13   3.895  -0.734  -2.117
  101   1HB1  AIB  13          1HB1      AIB  13   4.810   2.485  -1.701
  102   2HB1  AIB  13          2HB1      AIB  13   4.063   0.995  -1.078
  103   3HB1  AIB  13          3HB1      AIB  13   5.830   1.199  -1.010
  104   1HB2  AIB  13          1HB2      AIB  13   3.315   1.793  -3.710
  105   2HB2  AIB  13          2HB2      AIB  13   4.845   2.666  -3.966
  106   3HB2  AIB  13          3HB2      AIB  13   4.442   1.258  -4.979
  107    HA   HYP  14           HA       HYP  14   9.091   0.728  -2.622
  108   1HB   HYP  14          1HB       HYP  14   9.932  -1.765  -1.672
  109   2HB   HYP  14          2HB       HYP  14   9.445  -0.441  -0.632
  110   1HD   HYP  14          1HD       HYP  14   6.143  -2.039  -2.318
  111   2HD   HYP  14          2HD       HYP  14   5.959  -0.852  -1.042
  112    HOD  HYP  14           HOD      HYP  14   8.454  -1.885   0.955
  113    HG   HYP  14           HG       HYP  14   7.977  -2.944  -1.210
  114   1HN   AIB  15          H         AIB  15   7.365  -1.738  -4.385
  115   1HB1  AIB  15          1HB1      AIB  15   7.587  -4.398  -6.021
  116   2HB1  AIB  15          2HB1      AIB  15   6.691  -2.870  -5.846
  117   3HB1  AIB  15          3HB1      AIB  15   7.675  -3.162  -7.300
  118   1HB2  AIB  15          1HB2      AIB  15   9.862  -4.579  -5.516
  119   2HB2  AIB  15          2HB2      AIB  15  10.449  -3.400  -4.319
  120   3HB2  AIB  15          3HB2      AIB  15   8.911  -4.254  -4.047
  121    HA   PRO  16           HA       PRO  16  10.099  -1.342  -9.078
  122   1HB   PRO  16          1HB       PRO  16   9.177   1.173  -9.622
  123   2HB   PRO  16          2HB       PRO  16   8.271  -0.282  -9.992
  124   1HG   PRO  16          1HG       PRO  16   7.838   1.669  -7.813
  125   2HG   PRO  16          2HG       PRO  16   6.727   0.474  -8.454
  126   1HD   PRO  16          1HD       PRO  16   8.199   0.306  -5.997
  127   2HD   PRO  16          2HD       PRO  16   7.178  -0.936  -6.696
  128    H1   PHL  17           1H       PHL  17  13.778  -0.440  -6.691
  129    H2   PHL  17           2H       PHL  17  13.110  -0.183  -5.056
  130    HO   PHL  17           HO       PHL  17  15.512   0.423  -5.760
  131    HA   PHL  17           HA       PHL  17  12.882   1.753  -7.398
  132   2HN   PHL  17          H         PHL  17  10.651   0.296  -6.210
  133   1HB   PHL  17          2HB       PHL  17  11.683   1.665  -4.563
  134   2HB   PHL  17          3HB       PHL  17  12.895   2.812  -5.099
  135    HD1  PHL  17           1HD      PHL  17  12.256   4.436  -6.967
  136    HD2  PHL  17           2HD      PHL  17   9.401   2.128  -4.838
  137    HE1  PHL  17           1HE      PHL  17  10.443   6.016  -7.684
  138    HE2  PHL  17           2HE      PHL  17   7.588   3.709  -5.556
  139    HZ   PHL  17           HZ       PHL  17   8.130   5.634  -6.971
  Start of MODEL    4
    1   1H    ACE   1          1H        ACE   1 -11.321   1.150   4.049
    2   2H    ACE   1          2H        ACE   1 -11.022   1.734   5.704
    3   3H    ACE   1          3H        ACE   1 -11.894   2.762   4.541
    4    H    TRP   2           H        TRP   2  -9.857   3.990   5.753
    5    HA   TRP   2           HA       TRP   2  -8.106   4.535   3.598
    6   1HB   TRP   2          1HB       TRP   2  -7.078   6.119   5.104
    7   2HB   TRP   2          2HB       TRP   2  -8.825   6.251   5.155
    8    HD1  TRP   2           HD       TRP   2 -10.037   5.435   7.483
    9    HE1  TRP   2           1HE      TRP   2  -9.213   5.152   9.975
   10    HE3  TRP   2           3HE      TRP   2  -5.070   5.441   6.394
   11    HZ2  TRP   2           2HZ      TRP   2  -6.634   4.967  11.183
   12    HZ3  TRP   2           3HZ      TRP   2  -3.466   5.204   8.288
   13    HH2  TRP   2           HH       TRP   2  -4.177   4.974  10.615
   14    H    ILE   3           H        ILE   3  -7.979   2.603   6.624
   15    HA   ILE   3           HA       ILE   3  -5.187   2.105   6.430
   16    HB   ILE   3           HB       ILE   3  -6.520   2.122   8.525
   17   1HG1  ILE   3          1HG1      ILE   3  -5.373   0.154   9.526
   18   2HG1  ILE   3          2HG1      ILE   3  -4.951  -0.401   7.919
   19   1HG2  ILE   3          1HG2      ILE   3  -8.513   0.963   7.740
   20   2HG2  ILE   3          2HG2      ILE   3  -7.573  -0.530   7.505
   21   3HG2  ILE   3          3HG2      ILE   3  -7.805   0.127   9.143
   22   1HD1  ILE   3          1HD1      ILE   3  -3.240   1.078   9.289
   23   2HD1  ILE   3          2HD1      ILE   3  -3.444   1.359   7.543
   24   3HD1  ILE   3          3HD1      ILE   3  -4.247   2.429   8.716
   25    H    GLN   4           H        GLN   4  -8.141   0.676   5.100
   26    HA   GLN   4           HA       GLN   4  -6.920  -1.769   4.411
   27   1HB   GLN   4          1HB       GLN   4  -9.487  -0.357   3.658
   28   2HB   GLN   4          2HB       GLN   4  -8.998  -1.785   2.767
   29   1HG   GLN   4          1HG       GLN   4  -8.952  -3.133   4.808
   30   2HG   GLN   4          2HG       GLN   4  -9.183  -1.716   5.813
   31   1HE2  GLN   4          1HE2      GLN   4 -11.169  -0.839   6.092
   32   2HE2  GLN   4          2HE2      GLN   4 -12.645  -1.527   5.504
   33   1HN   DIV   5          H         DIV   5  -7.837   1.198   2.506
   34   1HB1  DIV   5          2HB1      DIV   5  -6.491  -0.551  -0.169
   35   2HB1  DIV   5          3HB1      DIV   5  -6.191   0.939  -1.091
   36   1HG1  DIV   5          1HG1      DIV   5  -8.815   0.354   0.307
   37   2HG1  DIV   5          2HG1      DIV   5  -8.470   1.623  -0.892
   38   3HG1  DIV   5          3HG1      DIV   5  -8.479  -0.088  -1.383
   39   1HB2  DIV   5          1HB2      DIV   5  -7.831   2.795   0.933
   40   2HB2  DIV   5          2HB2      DIV   5  -6.347   3.237   1.810
   41   3HB2  DIV   5          3HB2      DIV   5  -6.331   3.133   0.033
   42    H    ILE   6           H        ILE   6  -4.954   1.892   3.108
   43    HA   ILE   6           HA       ILE   6  -2.437   2.056   1.909
   44    HB   ILE   6           HB       ILE   6  -3.462   1.880   4.715
   45   1HG1  ILE   6          1HG1      ILE   6  -1.845   4.010   3.290
   46   2HG1  ILE   6          2HG1      ILE   6  -3.597   3.987   3.353
   47   1HG2  ILE   6          1HG2      ILE   6  -1.442   0.594   4.851
   48   2HG2  ILE   6          2HG2      ILE   6  -0.551   1.797   3.888
   49   3HG2  ILE   6          3HG2      ILE   6  -1.126   2.214   5.519
   50   1HD1  ILE   6          1HD1      ILE   6  -1.633   4.340   5.640
   51   2HD1  ILE   6          2HD1      ILE   6  -2.998   5.381   5.171
   52   3HD1  ILE   6          3HD1      ILE   6  -3.305   3.810   5.948
   53    H    THR   7           H        THR   7  -3.929  -0.568   3.939
   54    HA   THR   7           HA       THR   7  -1.667  -2.159   4.013
   55    HB   THR   7           HB       THR   7  -4.650  -2.851   4.131
   56    HG1  THR   7           1HG      THR   7  -4.292  -1.730   6.006
   57   1HG2  THR   7          1HG2      THR   7  -3.256  -4.917   3.889
   58   2HG2  THR   7          2HG2      THR   7  -2.192  -4.343   5.197
   59   3HG2  THR   7          3HG2      THR   7  -3.886  -4.764   5.548
   60   1HN   AIB   8          H         AIB   8  -4.304  -2.035   1.569
   61   1HB1  AIB   8          1HB1      AIB   8  -4.946  -1.881  -0.852
   62   2HB1  AIB   8          2HB1      AIB   8  -4.997  -3.525  -1.531
   63   3HB1  AIB   8          3HB1      AIB   8  -5.716  -3.197   0.064
   64   1HB2  AIB   8          1HB2      AIB   8  -4.109  -5.086   1.057
   65   2HB2  AIB   8          2HB2      AIB   8  -3.811  -5.266  -0.688
   66   3HB2  AIB   8          3HB2      AIB   8  -2.444  -5.061   0.432
   67    H    LEU   9           H        LEU   9  -2.458  -0.915  -0.021
   68    HA   LEU   9           HA       LEU   9  -1.191  -1.444  -2.580
   69   1HB   LEU   9          1HB       LEU   9  -1.603   1.084  -0.980
   70   2HB   LEU   9          2HB       LEU   9  -0.750   1.014  -2.510
   71    HG   LEU   9           HG       LEU   9  -3.636   0.164  -2.158
   72   1HD1  LEU   9          1HD1      LEU   9  -3.378   2.542  -1.612
   73   2HD1  LEU   9          2HD1      LEU   9  -2.570   2.813  -3.174
   74   3HD1  LEU   9          3HD1      LEU   9  -4.274   2.304  -3.131
   75   1HD2  LEU   9          1HD2      LEU   9  -1.863   0.561  -4.571
   76   2HD2  LEU   9          2HD2      LEU   9  -2.757  -0.895  -4.073
   77   3HD2  LEU   9          3HD2      LEU   9  -3.639   0.530  -4.673
   78   1HN   AIB  10          H         AIB  10  -0.471  -1.630   0.764
   79   1HB1  AIB  10          1HB1      AIB  10   1.843  -2.997   2.297
   80   2HB1  AIB  10          2HB1      AIB  10   1.857  -1.398   3.078
   81   3HB1  AIB  10          3HB1      AIB  10   0.321  -2.098   2.515
   82   1HB2  AIB  10          1HB2      AIB  10   2.954   0.132   1.706
   83   2HB2  AIB  10          2HB2      AIB  10   2.085   0.628   0.233
   84   3HB2  AIB  10          3HB2      AIB  10   1.240   0.602   1.800
   85    HA   HYP  11           HA       HYP  11   4.371  -4.120   0.010
   86   1HB   HYP  11          1HB       HYP  11   3.172  -6.246  -1.356
   87   2HB   HYP  11          2HB       HYP  11   3.261  -6.140   0.391
   88   1HD   HYP  11          1HD       HYP  11   0.468  -3.537  -0.920
   89   2HD   HYP  11          2HD       HYP  11   0.616  -3.832   0.801
   90    HOD  HYP  11           HOD      HYP  11   1.393  -5.814   1.589
   91    HG   HYP  11           HG       HYP  11   0.889  -5.784  -1.340
   92    H    GLN  12           H        GLN  12   2.319  -2.631  -2.281
   93    HA   GLN  12           HA       GLN  12   3.900  -3.498  -4.511
   94   1HB   GLN  12          1HB       GLN  12   1.458  -1.762  -4.138
   95   2HB   GLN  12          2HB       GLN  12   2.370  -1.623  -5.629
   96   1HG   GLN  12          1HG       GLN  12   0.692  -3.291  -6.046
   97   2HG   GLN  12          2HG       GLN  12   2.198  -4.169  -5.863
   98   1HE2  GLN  12          1HE2      GLN  12  -0.779  -3.182  -4.280
   99   2HE2  GLN  12          2HE2      GLN  12  -0.838  -4.430  -3.079
  100   1HN   AIB  13          H         AIB  13   3.793  -0.861  -2.172
  101   1HB1  AIB  13          1HB1      AIB  13   3.923   0.876  -1.121
  102   2HB1  AIB  13          2HB1      AIB  13   5.691   1.048  -1.013
  103   3HB1  AIB  13          3HB1      AIB  13   4.711   2.363  -1.706
  104   1HB2  AIB  13          1HB2      AIB  13   4.334   1.154  -5.000
  105   2HB2  AIB  13          2HB2      AIB  13   3.193   1.660  -3.729
  106   3HB2  AIB  13          3HB2      AIB  13   4.708   2.561  -3.977
  107    HA   HYP  14           HA       HYP  14   8.971   0.739  -2.587
  108   1HB   HYP  14          1HB       HYP  14   9.885  -1.737  -1.658
  109   2HB   HYP  14          2HB       HYP  14   9.328  -0.449  -0.609
  110   1HD   HYP  14          1HD       HYP  14   6.123  -2.142  -2.389
  111   2HD   HYP  14          2HD       HYP  14   5.869  -0.984  -1.098
  112    HOD  HYP  14           HOD      HYP  14   7.428  -0.687   0.539
  113    HG   HYP  14           HG       HYP  14   7.966  -2.995  -1.257
  114   1HN   AIB  15          H         AIB  15   7.379  -1.773  -4.418
  115   1HB1  AIB  15          1HB1      AIB  15   7.812  -3.153  -7.345
  116   2HB1  AIB  15          2HB1      AIB  15   7.742  -4.398  -6.076
  117   3HB1  AIB  15          3HB1      AIB  15   6.783  -2.908  -5.914
  118   1HB2  AIB  15          1HB2      AIB  15   9.028  -4.220  -4.079
  119   2HB2  AIB  15          2HB2      AIB  15  10.018  -4.489  -5.535
  120   3HB2  AIB  15          3HB2      AIB  15  10.532  -3.299  -4.313
  121    HA   PRO  16           HA       PRO  16  10.195  -1.185  -9.045
  122   1HB   PRO  16          1HB       PRO  16   9.167   1.292  -9.573
  123   2HB   PRO  16          2HB       PRO  16   8.343  -0.196  -9.990
  124   1HG   PRO  16          1HG       PRO  16   7.760   1.692  -7.792
  125   2HG   PRO  16          2HG       PRO  16   6.726   0.458  -8.482
  126   1HD   PRO  16          1HD       PRO  16   8.139   0.316  -5.990
  127   2HD   PRO  16          2HD       PRO  16   7.198  -0.961  -6.736
  128    H1   PHL  17           1H       PHL  17  13.776  -0.082  -6.376
  129    H2   PHL  17           2H       PHL  17  12.952   0.190  -4.815
  130    HO   PHL  17           HO       PHL  17  14.824   2.053  -5.973
  131    HA   PHL  17           HA       PHL  17  12.788   1.992  -7.267
  132   2HN   PHL  17          H         PHL  17  10.619   0.387  -6.131
  133   1HB   PHL  17          2HB       PHL  17  11.459   1.997  -4.492
  134   2HB   PHL  17          3HB       PHL  17  12.556   3.223  -5.095
  135    HD1  PHL  17           1HD      PHL  17  11.742   4.309  -7.417
  136    HD2  PHL  17           2HD      PHL  17   9.211   2.487  -4.540
  137    HE1  PHL  17           1HE      PHL  17   9.793   5.620  -8.302
  138    HE2  PHL  17           2HE      PHL  17   7.262   3.798  -5.425
  139    HZ   PHL  17           HZ       PHL  17   7.576   5.349  -7.295
  Start of MODEL    5
    1   1H    ACE   1          1H        ACE   1 -11.945   2.457   4.738
    2   2H    ACE   1          2H        ACE   1 -11.475   1.123   3.657
    3   3H    ACE   1          3H        ACE   1 -11.028   1.073   5.379
    4    H    TRP   2           H        TRP   2 -10.134   3.676   5.820
    5    HA   TRP   2           HA       TRP   2  -8.291   4.523   3.879
    6   1HB   TRP   2          1HB       TRP   2  -7.406   5.937   5.599
    7   2HB   TRP   2          2HB       TRP   2  -9.157   5.949   5.667
    8    HD1  TRP   2           HD       TRP   2 -10.279   4.539   7.803
    9    HE1  TRP   2           1HE      TRP   2  -9.425   4.024  10.246
   10    HE3  TRP   2           3HE      TRP   2  -5.373   5.473   6.849
   11    HZ2  TRP   2           2HZ      TRP   2  -6.851   4.065  11.477
   12    HZ3  TRP   2           3HZ      TRP   2  -3.754   5.213   8.727
   13    HH2  TRP   2           HH       TRP   2  -4.424   4.535  10.977
   14    H    ILE   3           H        ILE   3  -8.140   2.282   6.705
   15    HA   ILE   3           HA       ILE   3  -5.332   1.914   6.488
   16    HB   ILE   3           HB       ILE   3  -6.694   1.699   8.563
   17   1HG1  ILE   3          1HG1      ILE   3  -5.437  -0.265   9.425
   18   2HG1  ILE   3          2HG1      ILE   3  -4.972  -0.673   7.785
   19   1HG2  ILE   3          1HG2      ILE   3  -7.512  -0.994   7.447
   20   2HG2  ILE   3          2HG2      ILE   3  -7.956  -0.286   9.019
   21   3HG2  ILE   3          3HG2      ILE   3  -8.572   0.434   7.512
   22   1HD1  ILE   3          1HD1      ILE   3  -3.604   1.241   7.547
   23   2HD1  ILE   3          2HD1      ILE   3  -4.435   2.112   8.859
   24   3HD1  ILE   3          3HD1      ILE   3  -3.333   0.767   9.241
   25    H    GLN   4           H        GLN   4  -8.211   0.487   5.009
   26    HA   GLN   4           HA       GLN   4  -6.928  -1.883   4.206
   27   1HB   GLN   4          1HB       GLN   4  -9.512  -0.482   3.545
   28   2HB   GLN   4          2HB       GLN   4  -8.975  -1.764   2.478
   29   1HG   GLN   4          1HG       GLN   4  -8.872  -3.358   4.347
   30   2HG   GLN   4          2HG       GLN   4  -9.210  -2.087   5.505
   31   1HE2  GLN   4          1HE2      GLN   4 -11.244  -1.442   5.891
   32   2HE2  GLN   4          2HE2      GLN   4 -12.664  -2.103   5.152
   33   1HN   DIV   5          H         DIV   5  -7.833   1.177   2.448
   34   1HB1  DIV   5          2HB1      DIV   5  -6.412  -0.385  -0.288
   35   2HB1  DIV   5          3HB1      DIV   5  -6.074   1.159  -1.103
   36   1HG1  DIV   5          1HG1      DIV   5  -8.357   0.168  -1.533
   37   2HG1  DIV   5          2HG1      DIV   5  -8.746   0.511   0.169
   38   3HG1  DIV   5          3HG1      DIV   5  -8.353   1.846  -0.940
   39   1HB2  DIV   5          1HB2      DIV   5  -6.326   3.264   1.938
   40   2HB2  DIV   5          2HB2      DIV   5  -6.259   3.280   0.159
   41   3HB2  DIV   5          3HB2      DIV   5  -7.784   2.883   0.990
   42    H    ILE   6           H        ILE   6  -4.967   1.838   3.184
   43    HA   ILE   6           HA       ILE   6  -2.423   2.107   2.058
   44    HB   ILE   6           HB       ILE   6  -3.536   1.781   4.811
   45   1HG1  ILE   6          1HG1      ILE   6  -1.696   3.948   3.841
   46   2HG1  ILE   6          2HG1      ILE   6  -3.375   3.951   3.340
   47   1HG2  ILE   6          1HG2      ILE   6  -1.589   0.461   5.052
   48   2HG2  ILE   6          2HG2      ILE   6  -0.616   1.572   4.060
   49   3HG2  ILE   6          3HG2      ILE   6  -1.173   2.076   5.673
   50   1HD1  ILE   6          1HD1      ILE   6  -4.161   4.049   5.626
   51   2HD1  ILE   6          2HD1      ILE   6  -2.533   3.707   6.259
   52   3HD1  ILE   6          3HD1      ILE   6  -2.871   5.266   5.470
   53    H    THR   7           H        THR   7  -3.989  -0.663   3.808
   54    HA   THR   7           HA       THR   7  -1.735  -2.275   3.856
   55    HB   THR   7           HB       THR   7  -4.724  -2.951   3.777
   56    HG1  THR   7           1HG      THR   7  -4.422  -1.918   5.719
   57   1HG2  THR   7          1HG2      THR   7  -2.313  -4.537   4.813
   58   2HG2  THR   7          2HG2      THR   7  -4.018  -4.969   5.087
   59   3HG2  THR   7          3HG2      THR   7  -3.346  -5.003   3.439
   60   1HN   AIB   8          H         AIB   8  -4.233  -1.871   1.306
   61   1HB1  AIB   8          1HB1      AIB   8  -4.692  -1.426  -1.122
   62   2HB1  AIB   8          2HB1      AIB   8  -4.747  -2.983  -1.979
   63   3HB1  AIB   8          3HB1      AIB   8  -5.568  -2.803  -0.410
   64   1HB2  AIB   8          1HB2      AIB   8  -2.393  -4.822  -0.021
   65   2HB2  AIB   8          2HB2      AIB   8  -4.105  -4.848   0.469
   66   3HB2  AIB   8          3HB2      AIB   8  -3.672  -4.852  -1.258
   67    H    LEU   9           H        LEU   9  -2.271  -0.635  -0.068
   68    HA   LEU   9           HA       LEU   9  -0.828  -0.937  -2.558
   69   1HB   LEU   9          1HB       LEU   9  -1.202   1.386  -0.666
   70   2HB   LEU   9          2HB       LEU   9  -0.243   1.456  -2.131
   71    HG   LEU   9           HG       LEU   9  -3.148   0.648  -2.213
   72   1HD1  LEU   9          1HD1      LEU   9  -3.082   2.774  -1.026
   73   2HD1  LEU   9          2HD1      LEU   9  -2.067   3.479  -2.307
   74   3HD1  LEU   9          3HD1      LEU   9  -3.740   2.987  -2.666
   75   1HD2  LEU   9          1HD2      LEU   9  -1.682   0.237  -4.187
   76   2HD2  LEU   9          2HD2      LEU   9  -3.045   1.336  -4.509
   77   3HD2  LEU   9          3HD2      LEU   9  -1.404   1.992  -4.293
   78   1HN   AIB  10          H         AIB  10  -0.340  -1.466   0.828
   79   1HB1  AIB  10          1HB1      AIB  10   1.697  -1.367   3.303
   80   2HB1  AIB  10          2HB1      AIB  10   0.320  -2.186   2.529
   81   3HB1  AIB  10          3HB1      AIB  10   1.932  -2.944   2.511
   82   1HB2  AIB  10          1HB2      AIB  10   3.071   0.083   2.105
   83   2HB2  AIB  10          2HB2      AIB  10   2.392   0.670   0.567
   84   3HB2  AIB  10          3HB2      AIB  10   1.385   0.649   2.035
   85    HA   HYP  11           HA       HYP  11   4.452  -4.115   0.113
   86   1HB   HYP  11          1HB       HYP  11   3.187  -6.113  -1.379
   87   2HB   HYP  11          2HB       HYP  11   3.290  -6.125   0.369
   88   1HD   HYP  11          1HD       HYP  11   0.560  -3.367  -0.746
   89   2HD   HYP  11          2HD       HYP  11   0.712  -3.779   0.950
   90    HOD  HYP  11           HOD      HYP  11   1.437  -5.826   1.602
   91    HG   HYP  11           HG       HYP  11   0.918  -5.593  -1.317
   92    H    GLN  12           H        GLN  12   2.410  -2.446  -2.076
   93    HA   GLN  12           HA       GLN  12   3.881  -3.352  -4.373
   94   1HB   GLN  12          1HB       GLN  12   1.617  -1.323  -4.113
   95   2HB   GLN  12          2HB       GLN  12   2.288  -1.883  -5.631
   96   1HG   GLN  12          1HG       GLN  12   1.674  -4.255  -4.966
   97   2HG   GLN  12          2HG       GLN  12   0.896  -3.613  -3.533
   98   1HE2  GLN  12          1HE2      GLN  12  -1.180  -3.282  -3.666
   99   2HE2  GLN  12          2HE2      GLN  12  -2.107  -2.949  -5.091
  100   1HN   AIB  13          H         AIB  13   3.813  -0.663  -2.086
  101   1HB1  AIB  13          1HB1      AIB  13   5.872   1.581  -1.152
  102   2HB1  AIB  13          2HB1      AIB  13   4.413   2.455  -1.673
  103   3HB1  AIB  13          3HB1      AIB  13   4.267   0.845  -0.928
  104   1HB2  AIB  13          1HB2      AIB  13   3.216   1.832  -3.673
  105   2HB2  AIB  13          2HB2      AIB  13   4.734   2.720  -3.954
  106   3HB2  AIB  13          3HB2      AIB  13   4.330   1.305  -4.956
  107    HA   HYP  14           HA       HYP  14   9.024   0.879  -2.711
  108   1HB   HYP  14          1HB       HYP  14   9.932  -1.535  -1.627
  109   2HB   HYP  14          2HB       HYP  14   9.451  -0.155  -0.661
  110   1HD   HYP  14          1HD       HYP  14   6.132  -1.908  -2.148
  111   2HD   HYP  14          2HD       HYP  14   5.963  -0.643  -0.947
  112    HOD  HYP  14           HOD      HYP  14   8.520  -1.522   1.045
  113    HG   HYP  14           HG       HYP  14   8.009  -2.711  -1.037
  114   1HN   AIB  15          H         AIB  15   7.291  -1.717  -4.267
  115   1HB1  AIB  15          1HB1      AIB  15   7.491  -4.456  -5.755
  116   2HB1  AIB  15          2HB1      AIB  15   6.598  -2.920  -5.666
  117   3HB1  AIB  15          3HB1      AIB  15   7.564  -3.304  -7.111
  118   1HB2  AIB  15          1HB2      AIB  15   8.849  -4.189  -3.812
  119   2HB2  AIB  15          2HB2      AIB  15   9.774  -4.607  -5.276
  120   3HB2  AIB  15          3HB2      AIB  15  10.381  -3.356  -4.164
  121    HA   PRO  16           HA       PRO  16   9.961  -1.579  -9.024
  122   1HB   PRO  16          1HB       PRO  16   9.019   0.894  -9.704
  123   2HB   PRO  16          2HB       PRO  16   8.118  -0.583  -9.977
  124   1HG   PRO  16          1HG       PRO  16   7.697   1.489  -7.912
  125   2HG   PRO  16          2HG       PRO  16   6.586   0.254  -8.470
  126   1HD   PRO  16          1HD       PRO  16   8.085   0.236  -6.024
  127   2HD   PRO  16          2HD       PRO  16   7.065  -1.050  -6.637
  128    H1   PHL  17           1H       PHL  17  12.941  -0.132  -5.112
  129    H2   PHL  17           2H       PHL  17  14.222   0.969  -5.691
  130    HO   PHL  17           HO       PHL  17  14.855  -0.625  -6.929
  131    HA   PHL  17           HA       PHL  17  12.728   1.645  -7.577
  132   2HN   PHL  17          H         PHL  17  10.520   0.252  -6.269
  133   1HB   PHL  17          2HB       PHL  17  11.543   1.800  -4.741
  134   2HB   PHL  17          3HB       PHL  17  12.701   2.931  -5.411
  135    HD1  PHL  17           1HD      PHL  17   9.294   2.330  -4.820
  136    HD2  PHL  17           2HD      PHL  17  11.918   4.145  -7.619
  137    HE1  PHL  17           1HE      PHL  17   7.409   3.759  -5.661
  138    HE2  PHL  17           2HE      PHL  17  10.033   5.574  -8.459
  139    HZ   PHL  17           HZ       PHL  17   7.801   5.363  -7.471
  Start of MODEL    6
    1   1H    ACE   1          1H        ACE   1 -11.597   2.028   3.583
    2   2H    ACE   1          2H        ACE   1 -10.989   1.493   5.168
    3   3H    ACE   1          3H        ACE   1 -11.614   3.147   4.966
    4    H    TRP   2           H        TRP   2  -9.738   4.220   5.617
    5    HA   TRP   2           HA       TRP   2  -7.793   4.624   3.651
    6   1HB   TRP   2          1HB       TRP   2  -8.136   5.379   6.519
    7   2HB   TRP   2          2HB       TRP   2  -6.554   5.574   5.789
    8    HD1  TRP   2           HD       TRP   2  -9.893   7.282   5.997
    9    HE1  TRP   2           1HE      TRP   2 -10.020   9.457   4.507
   10    HE3  TRP   2           3HE      TRP   2  -5.608   6.392   3.409
   11    HZ2  TRP   2           2HZ      TRP   2  -8.349  10.537   2.460
   12    HZ3  TRP   2           3HZ      TRP   2  -4.927   8.056   1.682
   13    HH2  TRP   2           HH       TRP   2  -6.221  10.071   1.191
   14    H    ILE   3           H        ILE   3  -7.981   2.531   6.585
   15    HA   ILE   3           HA       ILE   3  -5.265   1.780   6.497
   16    HB   ILE   3           HB       ILE   3  -6.743   1.762   8.492
   17   1HG1  ILE   3          1HG1      ILE   3  -5.815  -0.350   9.428
   18   2HG1  ILE   3          2HG1      ILE   3  -5.317  -0.828   7.817
   19   1HG2  ILE   3          1HG2      ILE   3  -7.895  -0.747   7.242
   20   2HG2  ILE   3          2HG2      ILE   3  -8.223  -0.140   8.881
   21   3HG2  ILE   3          3HG2      ILE   3  -8.745   0.801   7.463
   22   1HD1  ILE   3          1HD1      ILE   3  -4.476   1.882   8.862
   23   2HD1  ILE   3          2HD1      ILE   3  -3.611   0.424   9.404
   24   3HD1  ILE   3          3HD1      ILE   3  -3.665   0.835   7.673
   25    H    GLN   4           H        GLN   4  -8.223   0.646   4.902
   26    HA   GLN   4           HA       GLN   4  -7.114  -1.821   4.112
   27   1HB   GLN   4          1HB       GLN   4  -9.551  -0.205   3.352
   28   2HB   GLN   4          2HB       GLN   4  -9.094  -1.572   2.353
   29   1HG   GLN   4          1HG       GLN   4  -9.287  -3.119   4.201
   30   2HG   GLN   4          2HG       GLN   4  -9.365  -1.821   5.377
   31   1HE2  GLN   4          1HE2      GLN   4 -11.298  -2.641   6.187
   32   2HE2  GLN   4          2HE2      GLN   4 -12.818  -2.428   5.384
   33   1HN   DIV   5          H         DIV   5  -7.805   1.276   2.316
   34   1HB1  DIV   5          2HB1      DIV   5  -6.362  -0.399  -0.347
   35   2HB1  DIV   5          3HB1      DIV   5  -5.958   1.115  -1.189
   36   1HG1  DIV   5          1HG1      DIV   5  -8.680   0.560   0.023
   37   2HG1  DIV   5          2HG1      DIV   5  -8.224   1.874  -1.086
   38   3HG1  DIV   5          3HG1      DIV   5  -8.255   0.191  -1.664
   39   1HB2  DIV   5          1HB2      DIV   5  -7.669   2.938   0.838
   40   2HB2  DIV   5          2HB2      DIV   5  -6.207   3.304   1.786
   41   3HB2  DIV   5          3HB2      DIV   5  -6.128   3.266   0.007
   42    H    ILE   6           H        ILE   6  -4.954   1.788   3.134
   43    HA   ILE   6           HA       ILE   6  -2.380   2.034   2.042
   44    HB   ILE   6           HB       ILE   6  -3.503   1.724   4.806
   45   1HG1  ILE   6          1HG1      ILE   6  -1.869   3.996   3.683
   46   2HG1  ILE   6          2HG1      ILE   6  -3.589   3.876   3.372
   47   1HG2  ILE   6          1HG2      ILE   6  -1.186   2.157   5.661
   48   2HG2  ILE   6          2HG2      ILE   6  -1.442   0.535   4.976
   49   3HG2  ILE   6          3HG2      ILE   6  -0.577   1.772   4.032
   50   1HD1  ILE   6          1HD1      ILE   6  -3.965   3.695   5.879
   51   2HD1  ILE   6          2HD1      ILE   6  -2.232   4.035   6.098
   52   3HD1  ILE   6          3HD1      ILE   6  -3.290   5.254   5.347
   53    H    THR   7           H        THR   7  -3.982  -0.660   3.880
   54    HA   THR   7           HA       THR   7  -1.748  -2.294   3.978
   55    HB   THR   7           HB       THR   7  -4.750  -2.899   3.946
   56    HG1  THR   7           1HG      THR   7  -4.379  -1.911   5.895
   57   1HG2  THR   7          1HG2      THR   7  -4.084  -4.943   5.246
   58   2HG2  THR   7          2HG2      THR   7  -3.470  -5.004   3.576
   59   3HG2  THR   7          3HG2      THR   7  -2.374  -4.578   4.913
   60   1HN   AIB   8          H         AIB   8  -4.278  -2.004   1.434
   61   1HB1  AIB   8          1HB1      AIB   8  -4.775  -1.690  -1.019
   62   2HB1  AIB   8          2HB1      AIB   8  -4.844  -3.298  -1.774
   63   3HB1  AIB   8          3HB1      AIB   8  -5.631  -3.020  -0.202
   64   1HB2  AIB   8          1HB2      AIB   8  -2.439  -5.003   0.244
   65   2HB2  AIB   8          2HB2      AIB   8  -4.148  -5.017   0.742
   66   3HB2  AIB   8          3HB2      AIB   8  -3.722  -5.109  -0.984
   67    H    LEU   9           H        LEU   9  -2.323  -0.837  -0.016
   68    HA   LEU   9           HA       LEU   9  -0.926  -1.271  -2.523
   69   1HB   LEU   9          1HB       LEU   9  -1.358   1.174  -0.805
   70   2HB   LEU   9          2HB       LEU   9  -0.404   1.165  -2.276
   71    HG   LEU   9           HG       LEU   9  -3.321   0.361  -2.197
   72   1HD1  LEU   9          1HD1      LEU   9  -3.710   2.657  -3.201
   73   2HD1  LEU   9          2HD1      LEU   9  -3.336   2.607  -1.461
   74   3HD1  LEU   9          3HD1      LEU   9  -2.079   3.081  -2.629
   75   1HD2  LEU   9          1HD2      LEU   9  -2.196  -0.519  -4.120
   76   2HD2  LEU   9          2HD2      LEU   9  -3.189   0.865  -4.639
   77   3HD2  LEU   9          3HD2      LEU   9  -1.429   1.051  -4.457
   78   1HN   AIB  10          H         AIB  10  -0.396  -1.661   0.843
   79   1HB1  AIB  10          1HB1      AIB  10   1.760  -3.099   2.485
   80   2HB1  AIB  10          2HB1      AIB  10   1.809  -1.519   3.302
   81   3HB1  AIB  10          3HB1      AIB  10   0.273  -2.135   2.648
   82   1HB2  AIB  10          1HB2      AIB  10   3.000   0.018   2.037
   83   2HB2  AIB  10          2HB2      AIB  10   2.248   0.560   0.517
   84   3HB2  AIB  10          3HB2      AIB  10   1.298   0.534   2.023
   85    HA   HYP  11           HA       HYP  11   4.416  -4.220   0.161
   86   1HB   HYP  11          1HB       HYP  11   3.184  -6.226  -1.351
   87   2HB   HYP  11          2HB       HYP  11   3.259  -6.235   0.400
   88   1HD   HYP  11          1HD       HYP  11   0.535  -3.490  -0.761
   89   2HD   HYP  11          2HD       HYP  11   0.662  -3.901   0.938
   90    HOD  HYP  11           HOD      HYP  11   1.123  -7.211   0.617
   91    HG   HYP  11           HG       HYP  11   0.911  -5.715  -1.323
   92    H    GLN  12           H        GLN  12   2.440  -2.513  -2.036
   93    HA   GLN  12           HA       GLN  12   3.927  -3.441  -4.321
   94   1HB   GLN  12          1HB       GLN  12   1.632  -1.442  -4.104
   95   2HB   GLN  12          2HB       GLN  12   2.327  -2.011  -5.609
   96   1HG   GLN  12          1HG       GLN  12   1.757  -4.396  -4.858
   97   2HG   GLN  12          2HG       GLN  12   0.879  -3.693  -3.515
   98   1HE2  GLN  12          1HE2      GLN  12   1.107  -3.929  -7.010
   99   2HE2  GLN  12          2HE2      GLN  12  -0.529  -3.503  -7.389
  100   1HN   AIB  13          H         AIB  13   3.852  -0.787  -2.019
  101   1HB1  AIB  13          1HB1      AIB  13   4.770   2.422  -1.578
  102   2HB1  AIB  13          2HB1      AIB  13   4.052   0.916  -0.955
  103   3HB1  AIB  13          3HB1      AIB  13   5.818   1.140  -0.924
  104   1HB2  AIB  13          1HB2      AIB  13   4.353   1.232  -4.861
  105   2HB2  AIB  13          2HB2      AIB  13   3.247   1.749  -3.565
  106   3HB2  AIB  13          3HB2      AIB  13   4.769   2.630  -3.841
  107    HA   HYP  14           HA       HYP  14   9.043   0.722  -2.582
  108   1HB   HYP  14          1HB       HYP  14   9.927  -1.769  -1.667
  109   2HB   HYP  14          2HB       HYP  14   9.436  -0.462  -0.608
  110   1HD   HYP  14          1HD       HYP  14   6.135  -2.088  -2.270
  111   2HD   HYP  14          2HD       HYP  14   5.951  -0.915  -0.981
  112    HOD  HYP  14           HOD      HYP  14   7.520  -0.653   0.598
  113    HG   HYP  14           HG       HYP  14   7.994  -2.978  -1.193
  114   1HN   AIB  15          H         AIB  15   7.328  -1.752  -4.345
  115   1HB1  AIB  15          1HB1      AIB  15   6.650  -2.874  -5.814
  116   2HB1  AIB  15          2HB1      AIB  15   7.619  -3.188  -7.272
  117   3HB1  AIB  15          3HB1      AIB  15   7.560  -4.397  -5.967
  118   1HB2  AIB  15          1HB2      AIB  15   8.959  -4.232  -4.057
  119   2HB2  AIB  15          2HB2      AIB  15   9.874  -4.524  -5.557
  120   3HB2  AIB  15          3HB2      AIB  15  10.464  -3.335  -4.370
  121    HA   PRO  16           HA       PRO  16   9.873  -1.326  -9.123
  122   1HB   PRO  16          1HB       PRO  16   8.859   1.152  -9.674
  123   2HB   PRO  16          2HB       PRO  16   7.977  -0.333  -9.971
  124   1HG   PRO  16          1HG       PRO  16   7.594   1.651  -7.814
  125   2HG   PRO  16          2HG       PRO  16   6.487   0.415  -8.377
  126   1HD   PRO  16          1HD       PRO  16   8.075   0.337  -5.990
  127   2HD   PRO  16          2HD       PRO  16   7.057  -0.946  -6.614
  128    H1   PHL  17           1H       PHL  17  12.184   1.276  -4.592
  129    H2   PHL  17           2H       PHL  17  13.832   1.255  -5.283
  130    HO   PHL  17           HO       PHL  17  11.870  -0.860  -5.307
  131    HA   PHL  17           HA       PHL  17  12.988   1.262  -7.523
  132   2HN   PHL  17          H         PHL  17  10.367   0.634  -6.379
  133   1HB   PHL  17          2HB       PHL  17  11.040   2.989  -5.886
  134   2HB   PHL  17          3HB       PHL  17  12.723   3.432  -6.095
  135    HD1  PHL  17           1HD      PHL  17  13.547   4.218  -8.245
  136    HD2  PHL  17           2HD      PHL  17   9.473   3.144  -7.741
  137    HE1  PHL  17           1HE      PHL  17  12.976   5.378 -10.396
  138    HE2  PHL  17           2HE      PHL  17   8.902   4.304  -9.892
  139    HZ   PHL  17           HZ       PHL  17  10.660   5.408 -11.194
  Start of MODEL    7
    1   1H    ACE   1          1H        ACE   1 -11.198   1.776   5.344
    2   2H    ACE   1          2H        ACE   1 -11.919   2.970   4.239
    3   3H    ACE   1          3H        ACE   1 -11.442   1.367   3.630
    4    H    TRP   2           H        TRP   2  -9.971   4.097   5.504
    5    HA   TRP   2           HA       TRP   2  -7.939   4.568   3.657
    6   1HB   TRP   2          1HB       TRP   2  -8.405   5.216   6.535
    7   2HB   TRP   2          2HB       TRP   2  -6.801   5.459   5.872
    8    HD1  TRP   2           HD       TRP   2 -10.132   7.150   6.072
    9    HE1  TRP   2           1HE      TRP   2 -10.252   9.360   4.636
   10    HE3  TRP   2           3HE      TRP   2  -5.835   6.323   3.481
   11    HZ2  TRP   2           2HZ      TRP   2  -8.573  10.490   2.624
   12    HZ3  TRP   2           3HZ      TRP   2  -5.147   8.029   1.800
   13    HH2  TRP   2           HH       TRP   2  -6.438  10.056   1.353
   14    H    ILE   3           H        ILE   3  -8.147   2.460   6.597
   15    HA   ILE   3           HA       ILE   3  -5.455   1.717   6.580
   16    HB   ILE   3           HB       ILE   3  -7.001   1.550   8.491
   17   1HG1  ILE   3          1HG1      ILE   3  -6.176  -0.677   9.293
   18   2HG1  ILE   3          2HG1      ILE   3  -5.567  -0.994   7.681
   19   1HG2  ILE   3          1HG2      ILE   3  -8.163  -0.801   6.972
   20   2HG2  ILE   3          2HG2      ILE   3  -8.507  -0.393   8.670
   21   3HG2  ILE   3          3HG2      ILE   3  -8.988   0.725   7.371
   22   1HD1  ILE   3          1HD1      ILE   3  -3.962   0.759   7.799
   23   2HD1  ILE   3          2HD1      ILE   3  -4.800   1.548   9.157
   24   3HD1  ILE   3          3HD1      ILE   3  -3.920   0.022   9.420
   25    H    GLN   4           H        GLN   4  -8.308   0.546   4.801
   26    HA   GLN   4           HA       GLN   4  -7.083  -1.842   3.967
   27   1HB   GLN   4          1HB       GLN   4  -9.523  -0.268   3.122
   28   2HB   GLN   4          2HB       GLN   4  -8.986  -1.615   2.137
   29   1HG   GLN   4          1HG       GLN   4  -9.156  -3.154   4.047
   30   2HG   GLN   4          2HG       GLN   4  -9.505  -1.829   5.139
   31   1HE2  GLN   4          1HE2      GLN   4 -11.263  -3.683   5.295
   32   2HE2  GLN   4          2HE2      GLN   4 -12.744  -3.349   4.461
   33   1HN   DIV   5          H         DIV   5  -7.662   1.369   2.366
   34   1HB1  DIV   5          2HB1      DIV   5  -6.199  -0.225  -0.403
   35   2HB1  DIV   5          3HB1      DIV   5  -5.878   1.345  -1.176
   36   1HG1  DIV   5          1HG1      DIV   5  -8.121   0.437  -1.711
   37   2HG1  DIV   5          2HG1      DIV   5  -8.543   0.513   0.016
   38   3HG1  DIV   5          3HG1      DIV   5  -8.197   2.009  -0.882
   39   1HB2  DIV   5          1HB2      DIV   5  -7.534   3.067   0.977
   40   2HB2  DIV   5          2HB2      DIV   5  -6.022   3.394   1.857
   41   3HB2  DIV   5          3HB2      DIV   5  -6.034   3.400   0.076
   42    H    ILE   6           H        ILE   6  -4.827   1.858   3.164
   43    HA   ILE   6           HA       ILE   6  -2.249   2.057   2.049
   44    HB   ILE   6           HB       ILE   6  -3.495   2.100   4.721
   45   1HG1  ILE   6          1HG1      ILE   6  -1.738   3.997   4.887
   46   2HG1  ILE   6          2HG1      ILE   6  -1.504   3.750   3.168
   47   1HG2  ILE   6          1HG2      ILE   6  -0.607   1.280   4.330
   48   2HG2  ILE   6          2HG2      ILE   6  -1.257   1.955   5.845
   49   3HG2  ILE   6          3HG2      ILE   6  -1.882   0.411   5.217
   50   1HD1  ILE   6          1HD1      ILE   6  -3.199   5.512   3.605
   51   2HD1  ILE   6          2HD1      ILE   6  -3.922   4.124   2.756
   52   3HD1  ILE   6          3HD1      ILE   6  -4.187   4.335   4.505
   53    H    THR   7           H        THR   7  -4.044  -0.588   3.736
   54    HA   THR   7           HA       THR   7  -1.840  -2.285   4.009
   55    HB   THR   7           HB       THR   7  -4.866  -2.710   3.894
   56    HG1  THR   7           1HG      THR   7  -3.920  -1.490   5.683
   57   1HG2  THR   7          1HG2      THR   7  -2.583  -4.653   4.351
   58   2HG2  THR   7          2HG2      THR   7  -4.053  -4.803   5.344
   59   3HG2  THR   7          3HG2      THR   7  -4.158  -4.940   3.573
   60   1HN   AIB   8          H         AIB   8  -4.228  -1.908   1.344
   61   1HB1  AIB   8          1HB1      AIB   8  -5.539  -3.052  -0.319
   62   2HB1  AIB   8          2HB1      AIB   8  -4.733  -1.654  -1.068
   63   3HB1  AIB   8          3HB1      AIB   8  -4.692  -3.242  -1.874
   64   1HB2  AIB   8          1HB2      AIB   8  -3.915  -4.958   0.741
   65   2HB2  AIB   8          2HB2      AIB   8  -3.642  -5.039  -1.017
   66   3HB2  AIB   8          3HB2      AIB   8  -2.259  -4.889   0.095
   67    H    LEU   9           H        LEU   9  -2.227  -0.774   0.088
   68    HA   LEU   9           HA       LEU   9  -0.794  -1.046  -2.420
   69   1HB   LEU   9          1HB       LEU   9  -1.283   1.255  -0.533
   70   2HB   LEU   9          2HB       LEU   9  -0.211   1.365  -1.915
   71    HG   LEU   9           HG       LEU   9  -3.149   0.648  -2.100
   72   1HD1  LEU   9          1HD1      LEU   9  -3.528   2.929  -2.873
   73   2HD1  LEU   9          2HD1      LEU   9  -2.870   2.916  -1.219
   74   3HD1  LEU   9          3HD1      LEU   9  -1.815   3.325  -2.593
   75   1HD2  LEU   9          1HD2      LEU   9  -2.708   1.390  -4.530
   76   2HD2  LEU   9          2HD2      LEU   9  -0.990   1.138  -4.143
   77   3HD2  LEU   9          3HD2      LEU   9  -2.138  -0.216  -4.015
   78   1HN   AIB  10          H         AIB  10  -0.322  -1.648   0.934
   79   1HB1  AIB  10          1HB1      AIB  10   0.307  -2.259   2.698
   80   2HB1  AIB  10          2HB1      AIB  10   1.795  -3.224   2.549
   81   3HB1  AIB  10          3HB1      AIB  10   1.824  -1.670   3.419
   82   1HB2  AIB  10          1HB2      AIB  10   1.443   0.444   2.181
   83   2HB2  AIB  10          2HB2      AIB  10   3.115  -0.166   2.257
   84   3HB2  AIB  10          3HB2      AIB  10   2.463   0.458   0.722
   85    HA   HYP  11           HA       HYP  11   4.377  -4.373   0.146
   86   1HB   HYP  11          1HB       HYP  11   3.053  -6.255  -1.444
   87   2HB   HYP  11          2HB       HYP  11   3.139  -6.347   0.303
   88   1HD   HYP  11          1HD       HYP  11   0.522  -3.445  -0.709
   89   2HD   HYP  11          2HD       HYP  11   0.643  -3.936   0.969
   90    HOD  HYP  11           HOD      HYP  11  -0.149  -6.514   0.532
   91    HG   HYP  11           HG       HYP  11   0.804  -5.655  -1.375
   92    H    GLN  12           H        GLN  12   2.437  -2.512  -1.970
   93    HA   GLN  12           HA       GLN  12   3.909  -3.382  -4.291
   94   1HB   GLN  12          1HB       GLN  12   1.629  -1.375  -3.999
   95   2HB   GLN  12          2HB       GLN  12   2.324  -1.881  -5.525
   96   1HG   GLN  12          1HG       GLN  12   1.715  -4.273  -4.961
   97   2HG   GLN  12          2HG       GLN  12   0.929  -3.698  -3.504
   98   1HE2  GLN  12          1HE2      GLN  12  -1.143  -3.319  -3.615
   99   2HE2  GLN  12          2HE2      GLN  12  -2.072  -2.953  -5.031
  100   1HN   AIB  13          H         AIB  13   3.861  -0.816  -1.893
  101   1HB1  AIB  13          1HB1      AIB  13   4.423   2.148  -1.217
  102   2HB1  AIB  13          2HB1      AIB  13   4.572   0.487  -0.596
  103   3HB1  AIB  13          3HB1      AIB  13   6.034   1.449  -0.923
  104   1HB2  AIB  13          1HB2      AIB  13   4.360   1.382  -4.610
  105   2HB2  AIB  13          2HB2      AIB  13   3.262   1.763  -3.261
  106   3HB2  AIB  13          3HB2      AIB  13   4.769   2.688  -3.472
  107    HA   HYP  14           HA       HYP  14   9.086   0.707  -2.571
  108   1HB   HYP  14          1HB       HYP  14  10.017  -1.794  -1.732
  109   2HB   HYP  14          2HB       HYP  14   9.566  -0.504  -0.633
  110   1HD   HYP  14          1HD       HYP  14   6.203  -2.119  -2.180
  111   2HD   HYP  14          2HD       HYP  14   6.070  -0.966  -0.866
  112    HOD  HYP  14           HOD      HYP  14   8.624  -2.117   0.983
  113    HG   HYP  14           HG       HYP  14   8.109  -3.018  -1.195
  114   1HN   AIB  15          H         AIB  15   7.304  -1.737  -4.313
  115   1HB1  AIB  15          1HB1      AIB  15   7.484  -4.410  -5.847
  116   2HB1  AIB  15          2HB1      AIB  15   6.585  -2.877  -5.750
  117   3HB1  AIB  15          3HB1      AIB  15   7.521  -3.269  -7.213
  118   1HB2  AIB  15          1HB2      AIB  15  10.466  -3.307  -4.437
  119   2HB2  AIB  15          2HB2      AIB  15   8.983  -4.202  -4.027
  120   3HB2  AIB  15          3HB2      AIB  15   9.823  -4.524  -5.563
  121    HA   PRO  16           HA       PRO  16   9.698  -1.262  -9.143
  122   1HB   PRO  16          1HB       PRO  16   8.685   1.237  -9.587
  123   2HB   PRO  16          2HB       PRO  16   7.785  -0.232  -9.904
  124   1HG   PRO  16          1HG       PRO  16   7.477   1.686  -7.676
  125   2HG   PRO  16          2HG       PRO  16   6.347   0.474  -8.245
  126   1HD   PRO  16          1HD       PRO  16   8.002   0.314  -5.909
  127   2HD   PRO  16          2HD       PRO  16   6.958  -0.944  -6.543
  128    H1   PHL  17           1H       PHL  17  13.538  -0.101  -6.973
  129    H2   PHL  17           2H       PHL  17  13.013   0.203  -5.293
  130    HO   PHL  17           HO       PHL  17  14.432   2.271  -6.610
  131    HA   PHL  17           HA       PHL  17  12.415   2.011  -7.671
  132   2HN   PHL  17          H         PHL  17  10.439   0.350  -6.305
  133   1HB   PHL  17          2HB       PHL  17  11.408   1.867  -4.765
  134   2HB   PHL  17          3HB       PHL  17  12.482   3.105  -5.383
  135    HD1  PHL  17           1HD      PHL  17   9.140   2.306  -4.692
  136    HD2  PHL  17           2HD      PHL  17  11.543   4.458  -7.449
  137    HE1  PHL  17           1HE      PHL  17   7.158   3.712  -5.321
  138    HE2  PHL  17           2HE      PHL  17   9.561   5.864  -8.077
  139    HZ   PHL  17           HZ       PHL  17   7.393   5.475  -7.006
  Start of MODEL    8
    1   1H    ACE   1          1H        ACE   1 -11.994   2.845   4.448
    2   2H    ACE   1          2H        ACE   1 -11.571   1.291   3.691
    3   3H    ACE   1          3H        ACE   1 -11.318   1.529   5.437
    4    H    TRP   2           H        TRP   2 -10.088   3.919   5.690
    5    HA   TRP   2           HA       TRP   2  -8.025   4.440   3.920
    6   1HB   TRP   2          1HB       TRP   2  -8.769   5.856   5.829
    7   2HB   TRP   2          2HB       TRP   2  -7.988   4.737   6.928
    8    HD1  TRP   2           HD       TRP   2  -7.098   7.390   4.269
    9    HE1  TRP   2           1HE      TRP   2  -4.586   8.166   4.499
   10    HE3  TRP   2           3HE      TRP   2  -5.800   3.927   7.757
   11    HZ2  TRP   2           2HZ      TRP   2  -2.388   7.264   6.080
   12    HZ3  TRP   2           3HZ      TRP   2  -3.451   3.943   8.592
   13    HH2  TRP   2           HH       TRP   2  -1.770   5.536   7.810
   14    H    ILE   3           H        ILE   3  -8.271   2.161   6.726
   15    HA   ILE   3           HA       ILE   3  -5.579   1.435   6.720
   16    HB   ILE   3           HB       ILE   3  -7.189   1.139   8.572
   17   1HG1  ILE   3          1HG1      ILE   3  -6.318  -1.091   9.290
   18   2HG1  ILE   3          2HG1      ILE   3  -5.668  -1.327   7.680
   19   1HG2  ILE   3          1HG2      ILE   3  -8.194  -1.256   7.012
   20   2HG2  ILE   3          2HG2      ILE   3  -8.721  -0.715   8.624
   21   3HG2  ILE   3          3HG2      ILE   3  -9.071   0.283   7.193
   22   1HD1  ILE   3          1HD1      ILE   3  -4.106  -0.329   9.532
   23   2HD1  ILE   3          2HD1      ILE   3  -4.082   0.414   7.913
   24   3HD1  ILE   3          3HD1      ILE   3  -4.990   1.187   9.234
   25    H    GLN   4           H        GLN   4  -8.394   0.311   4.836
   26    HA   GLN   4           HA       GLN   4  -7.101  -2.019   3.927
   27   1HB   GLN   4          1HB       GLN   4  -9.611  -0.511   3.190
   28   2HB   GLN   4          2HB       GLN   4  -9.035  -1.763   2.110
   29   1HG   GLN   4          1HG       GLN   4  -9.376  -3.478   3.677
   30   2HG   GLN   4          2HG       GLN   4  -9.189  -2.409   5.053
   31   1HE2  GLN   4          1HE2      GLN   4 -11.329  -4.211   3.413
   32   2HE2  GLN   4          2HE2      GLN   4 -12.819  -3.397   3.754
   33   1HN   DIV   5          H         DIV   5  -7.847   1.195   2.392
   34   1HB1  DIV   5          2HB1      DIV   5  -6.444  -0.257  -0.394
   35   2HB1  DIV   5          3HB1      DIV   5  -6.006   1.301  -1.132
   36   1HG1  DIV   5          1HG1      DIV   5  -8.267   2.095  -0.967
   37   2HG1  DIV   5          2HG1      DIV   5  -8.305   0.476  -1.705
   38   3HG1  DIV   5          3HG1      DIV   5  -8.749   0.688   0.006
   39   1HB2  DIV   5          1HB2      DIV   5  -6.218   3.387   0.230
   40   2HB2  DIV   5          2HB2      DIV   5  -7.766   2.964   0.999
   41   3HB2  DIV   5          3HB2      DIV   5  -6.331   3.283   2.005
   42    H    ILE   6           H        ILE   6  -5.003   1.708   3.213
   43    HA   ILE   6           HA       ILE   6  -2.472   2.140   2.012
   44    HB   ILE   6           HB       ILE   6  -3.670   2.187   4.692
   45   1HG1  ILE   6          1HG1      ILE   6  -2.163   4.178   4.871
   46   2HG1  ILE   6          2HG1      ILE   6  -1.561   3.830   3.263
   47   1HG2  ILE   6          1HG2      ILE   6  -1.425   2.121   5.814
   48   2HG2  ILE   6          2HG2      ILE   6  -2.027   0.549   5.236
   49   3HG2  ILE   6          3HG2      ILE   6  -0.769   1.412   4.319
   50   1HD1  ILE   6          1HD1      ILE   6  -4.490   4.348   3.956
   51   2HD1  ILE   6          2HD1      ILE   6  -3.382   5.524   3.211
   52   3HD1  ILE   6          3HD1      ILE   6  -3.844   4.052   2.324
   53    H    THR   7           H        THR   7  -4.013  -0.594   3.808
   54    HA   THR   7           HA       THR   7  -1.765  -2.229   3.907
   55    HB   THR   7           HB       THR   7  -4.769  -2.816   3.789
   56    HG1  THR   7           1HG      THR   7  -4.441  -2.673   6.066
   57   1HG2  THR   7          1HG2      THR   7  -2.433  -4.566   4.726
   58   2HG2  THR   7          2HG2      THR   7  -4.157  -4.938   4.962
   59   3HG2  THR   7          3HG2      THR   7  -3.471  -4.903   3.320
   60   1HN   AIB   8          H         AIB   8  -4.176  -1.723   1.299
   61   1HB1  AIB   8          1HB1      AIB   8  -4.620  -2.774  -2.021
   62   2HB1  AIB   8          2HB1      AIB   8  -5.489  -2.674  -0.471
   63   3HB1  AIB   8          3HB1      AIB   8  -4.618  -1.253  -1.095
   64   1HB2  AIB   8          1HB2      AIB   8  -2.308  -4.665  -0.074
   65   2HB2  AIB   8          2HB2      AIB   8  -4.015  -4.707   0.435
   66   3HB2  AIB   8          3HB2      AIB   8  -3.602  -4.675  -1.297
   67    H    LEU   9           H        LEU   9  -2.203  -0.481   0.004
   68    HA   LEU   9           HA       LEU   9  -0.717  -0.718  -2.466
   69   1HB   LEU   9          1HB       LEU   9  -1.159   1.541  -0.516
   70   2HB   LEU   9          2HB       LEU   9  -0.119   1.666  -1.920
   71    HG   LEU   9           HG       LEU   9  -3.008   0.856  -2.208
   72   1HD1  LEU   9          1HD1      LEU   9  -3.057   2.915  -0.928
   73   2HD1  LEU   9          2HD1      LEU   9  -1.941   3.690  -2.077
   74   3HD1  LEU   9          3HD1      LEU   9  -3.575   3.222  -2.603
   75   1HD2  LEU   9          1HD2      LEU   9  -1.450   2.473  -4.188
   76   2HD2  LEU   9          2HD2      LEU   9  -1.132   0.726  -4.046
   77   3HD2  LEU   9          3HD2      LEU   9  -2.768   1.305  -4.444
   78   1HN   AIB  10          H         AIB  10  -0.279  -1.263   0.943
   79   1HB1  AIB  10          1HB1      AIB  10   0.383  -2.143   2.579
   80   2HB1  AIB  10          2HB1      AIB  10   2.063  -2.714   2.719
   81   3HB1  AIB  10          3HB1      AIB  10   1.596  -1.146   3.420
   82   1HB2  AIB  10          1HB2      AIB  10   3.164   0.190   2.236
   83   2HB2  AIB  10          2HB2      AIB  10   2.533   0.782   0.680
   84   3HB2  AIB  10          3HB2      AIB  10   1.500   0.813   2.129
   85    HA   HYP  11           HA       HYP  11   4.442  -4.048   0.235
   86   1HB   HYP  11          1HB       HYP  11   3.109  -6.031  -1.220
   87   2HB   HYP  11          2HB       HYP  11   3.241  -6.030   0.527
   88   1HD   HYP  11          1HD       HYP  11   0.554  -3.222  -0.567
   89   2HD   HYP  11          2HD       HYP  11   0.725  -3.624   1.131
   90    HOD  HYP  11           HOD      HYP  11  -0.053  -5.811   1.121
   91    HG   HYP  11           HG       HYP  11   0.853  -5.459  -1.124
   92    H    GLN  12           H        GLN  12   2.424  -2.325  -1.920
   93    HA   GLN  12           HA       GLN  12   3.789  -3.306  -4.248
   94   1HB   GLN  12          1HB       GLN  12   1.609  -1.200  -3.903
   95   2HB   GLN  12          2HB       GLN  12   2.243  -1.713  -5.455
   96   1HG   GLN  12          1HG       GLN  12   1.528  -4.054  -4.995
   97   2HG   GLN  12          2HG       GLN  12   0.942  -3.579  -3.414
   98   1HE2  GLN  12          1HE2      GLN  12  -0.733  -4.801  -5.127
   99   2HE2  GLN  12          2HE2      GLN  12  -1.942  -3.717  -5.730
  100   1HN   AIB  13          H         AIB  13   3.940  -0.621  -1.967
  101   1HB1  AIB  13          1HB1      AIB  13   4.888   2.568  -1.652
  102   2HB1  AIB  13          2HB1      AIB  13   4.242   1.069  -0.944
  103   3HB1  AIB  13          3HB1      AIB  13   6.000   1.339  -1.004
  104   1HB2  AIB  13          1HB2      AIB  13   4.439   1.296  -4.888
  105   2HB2  AIB  13          2HB2      AIB  13   3.369   1.880  -3.591
  106   3HB2  AIB  13          3HB2      AIB  13   4.908   2.712  -3.918
  107    HA   HYP  14           HA       HYP  14   9.155   0.719  -2.699
  108   1HB   HYP  14          1HB       HYP  14   9.985  -1.756  -1.695
  109   2HB   HYP  14          2HB       HYP  14   9.562  -0.390  -0.684
  110   1HD   HYP  14          1HD       HYP  14   6.170  -1.980  -2.190
  111   2HD   HYP  14          2HD       HYP  14   6.057  -0.747  -0.950
  112    HOD  HYP  14           HOD      HYP  14   8.278  -2.126   1.044
  113    HG   HYP  14           HG       HYP  14   8.028  -2.881  -1.121
  114   1HN   AIB  15          H         AIB  15   7.320  -1.774  -4.309
  115   1HB1  AIB  15          1HB1      AIB  15   7.470  -3.290  -7.164
  116   2HB1  AIB  15          2HB1      AIB  15   7.468  -4.514  -5.872
  117   3HB1  AIB  15          3HB1      AIB  15   6.572  -2.991  -5.655
  118   1HB2  AIB  15          1HB2      AIB  15  10.389  -3.466  -4.302
  119   2HB2  AIB  15          2HB2      AIB  15   8.860  -4.303  -3.938
  120   3HB2  AIB  15          3HB2      AIB  15   9.752  -4.685  -5.431
  121    HA   PRO  16           HA       PRO  16   9.822  -1.622  -9.132
  122   1HB   PRO  16          1HB       PRO  16   8.899   0.875  -9.749
  123   2HB   PRO  16          2HB       PRO  16   7.959  -0.583  -9.998
  124   1HG   PRO  16          1HG       PRO  16   7.665   1.476  -7.897
  125   2HG   PRO  16          2HG       PRO  16   6.509   0.267  -8.419
  126   1HD   PRO  16          1HD       PRO  16   8.109   0.197  -6.039
  127   2HD   PRO  16          2HD       PRO  16   7.040  -1.064  -6.620
  128    H1   PHL  17           1H       PHL  17  13.687  -0.453  -6.927
  129    H2   PHL  17           2H       PHL  17  12.998  -0.133  -5.310
  130    HO   PHL  17           HO       PHL  17  15.045   1.331  -6.710
  131    HA   PHL  17           HA       PHL  17  12.659   1.596  -7.796
  132   2HN   PHL  17          H         PHL  17  10.526   0.181  -6.389
  133   1HB   PHL  17          2HB       PHL  17  11.610   1.768  -4.909
  134   2HB   PHL  17          3HB       PHL  17  12.690   2.922  -5.667
  135    HD1  PHL  17           1HD      PHL  17   9.390   2.350  -4.763
  136    HD2  PHL  17           2HD      PHL  17  11.695   3.944  -7.949
  137    HE1  PHL  17           1HE      PHL  17   7.414   3.702  -5.516
  138    HE2  PHL  17           2HE      PHL  17   9.719   5.296  -8.703
  139    HZ   PHL  17           HZ       PHL  17   7.603   5.160  -7.477
  Start of MODEL    9
    1   1H    ACE   1          1H        ACE   1 -11.670   3.414   4.232
    2   2H    ACE   1          2H        ACE   1 -11.419   1.730   3.711
    3   3H    ACE   1          3H        ACE   1 -11.115   2.194   5.403
    4    H    TRP   2           H        TRP   2  -9.585   4.330   5.444
    5    HA   TRP   2           HA       TRP   2  -7.620   4.483   3.451
    6   1HB   TRP   2          1HB       TRP   2  -8.196   6.240   5.127
    7   2HB   TRP   2          2HB       TRP   2  -7.405   5.278   6.358
    8    HD1  TRP   2           HD       TRP   2  -6.372   6.822   2.908
    9    HE1  TRP   2           1HE      TRP   2  -3.883   7.695   3.002
   10    HE3  TRP   2           3HE      TRP   2  -5.460   5.291   7.670
   11    HZ2  TRP   2           2HZ      TRP   2  -1.859   7.649   5.011
   12    HZ3  TRP   2           3HZ      TRP   2  -3.200   5.743   8.622
   13    HH2  TRP   2           HH       TRP   2  -1.432   6.879   7.375
   14    H    ILE   3           H        ILE   3  -8.079   2.480   6.382
   15    HA   ILE   3           HA       ILE   3  -5.358   1.657   6.494
   16    HB   ILE   3           HB       ILE   3  -7.889   1.045   7.934
   17   1HG1  ILE   3          1HG1      ILE   3  -6.523   2.898   8.686
   18   2HG1  ILE   3          2HG1      ILE   3  -6.510   1.619   9.884
   19   1HG2  ILE   3          1HG2      ILE   3  -5.487  -0.776   7.843
   20   2HG2  ILE   3          2HG2      ILE   3  -6.561  -0.696   9.260
   21   3HG2  ILE   3          3HG2      ILE   3  -7.211  -1.183   7.676
   22   1HD1  ILE   3          1HD1      ILE   3  -4.296   2.592   8.114
   23   2HD1  ILE   3          2HD1      ILE   3  -4.236   2.018   9.798
   24   3HD1  ILE   3          3HD1      ILE   3  -4.337   0.847   8.462
   25    H    GLN   4           H        GLN   4  -8.272   0.620   4.794
   26    HA   GLN   4           HA       GLN   4  -7.183  -1.916   4.124
   27   1HB   GLN   4          1HB       GLN   4  -9.629  -0.331   3.419
   28   2HB   GLN   4          2HB       GLN   4  -9.134  -1.561   2.273
   29   1HG   GLN   4          1HG       GLN   4  -9.190  -3.293   4.020
   30   2HG   GLN   4          2HG       GLN   4  -9.498  -2.093   5.258
   31   1HE2  GLN   4          1HE2      GLN   4 -11.471  -0.872   5.178
   32   2HE2  GLN   4          2HE2      GLN   4 -12.909  -1.557   4.501
   33   1HN   DIV   5          H         DIV   5  -7.716   1.224   2.366
   34   1HB1  DIV   5          2HB1      DIV   5  -6.387  -0.506  -0.318
   35   2HB1  DIV   5          3HB1      DIV   5  -5.868   0.979  -1.148
   36   1HG1  DIV   5          1HG1      DIV   5  -8.219   0.214  -1.651
   37   2HG1  DIV   5          2HG1      DIV   5  -8.636   0.618   0.031
   38   3HG1  DIV   5          3HG1      DIV   5  -8.074   1.891  -1.078
   39   1HB2  DIV   5          1HB2      DIV   5  -5.968   3.137   0.051
   40   2HB2  DIV   5          2HB2      DIV   5  -7.509   2.883   0.903
   41   3HB2  DIV   5          3HB2      DIV   5  -6.016   3.173   1.831
   42    H    ILE   6           H        ILE   6  -4.862   1.503   3.199
   43    HA   ILE   6           HA       ILE   6  -2.340   1.873   1.923
   44    HB   ILE   6           HB       ILE   6  -3.318   3.006   4.020
   45   1HG1  ILE   6          1HG1      ILE   6  -0.447   2.032   4.055
   46   2HG1  ILE   6          2HG1      ILE   6  -1.044   3.344   3.058
   47   1HG2  ILE   6          1HG2      ILE   6  -3.768   0.790   5.156
   48   2HG2  ILE   6          2HG2      ILE   6  -2.011   0.663   5.413
   49   3HG2  ILE   6          3HG2      ILE   6  -2.920   2.014   6.132
   50   1HD1  ILE   6          1HD1      ILE   6  -0.120   4.372   5.024
   51   2HD1  ILE   6          2HD1      ILE   6  -1.888   4.453   5.219
   52   3HD1  ILE   6          3HD1      ILE   6  -0.952   3.221   6.100
   53    H    THR   7           H        THR   7  -4.059  -0.769   3.581
   54    HA   THR   7           HA       THR   7  -1.771  -2.425   3.886
   55    HB   THR   7           HB       THR   7  -4.796  -2.881   3.881
   56    HG1  THR   7           1HG      THR   7  -4.290  -2.008   5.857
   57   1HG2  THR   7          1HG2      THR   7  -3.691  -5.049   3.364
   58   2HG2  THR   7          2HG2      THR   7  -2.515  -4.770   4.670
   59   3HG2  THR   7          3HG2      THR   7  -4.232  -5.031   5.060
   60   1HN   AIB   8          H         AIB   8  -4.278  -2.046   1.330
   61   1HB1  AIB   8          1HB1      AIB   8  -4.704  -1.584  -1.119
   62   2HB1  AIB   8          2HB1      AIB   8  -4.741  -3.148  -1.966
   63   3HB1  AIB   8          3HB1      AIB   8  -5.574  -2.964  -0.403
   64   1HB2  AIB   8          1HB2      AIB   8  -2.358  -4.946  -0.040
   65   2HB2  AIB   8          2HB2      AIB   8  -4.062  -5.015   0.472
   66   3HB2  AIB   8          3HB2      AIB   8  -3.652  -4.984  -1.260
   67    H    LEU   9           H        LEU   9  -2.324  -0.760   0.012
   68    HA   LEU   9           HA       LEU   9  -0.846  -1.001  -2.469
   69   1HB   LEU   9          1HB       LEU   9  -1.349   1.297  -0.577
   70   2HB   LEU   9          2HB       LEU   9  -0.340   1.413  -2.004
   71    HG   LEU   9           HG       LEU   9  -3.238   0.560  -2.137
   72   1HD1  LEU   9          1HD1      LEU   9  -3.796   2.871  -2.742
   73   2HD1  LEU   9          2HD1      LEU   9  -3.166   2.755  -1.082
   74   3HD1  LEU   9          3HD1      LEU   9  -2.125   3.368  -2.388
   75   1HD2  LEU   9          1HD2      LEU   9  -1.256   1.548  -4.199
   76   2HD2  LEU   9          2HD2      LEU   9  -2.019  -0.055  -4.096
   77   3HD2  LEU   9          3HD2      LEU   9  -3.001   1.374  -4.494
   78   1HN   AIB  10          H         AIB  10  -0.397  -1.498   0.931
   79   1HB1  AIB  10          1HB1      AIB  10   1.997  -2.948   2.652
   80   2HB1  AIB  10          2HB1      AIB  10   1.476  -1.423   3.406
   81   3HB1  AIB  10          3HB1      AIB  10   0.298  -2.430   2.532
   82   1HB2  AIB  10          1HB2      AIB  10   2.349   0.627   0.735
   83   2HB2  AIB  10          2HB2      AIB  10   1.310   0.576   2.180
   84   3HB2  AIB  10          3HB2      AIB  10   2.995   0.007   2.272
   85    HA   HYP  11           HA       HYP  11   4.418  -4.118   0.147
   86   1HB   HYP  11          1HB       HYP  11   3.163  -6.093  -1.386
   87   2HB   HYP  11          2HB       HYP  11   3.278  -6.146   0.361
   88   1HD   HYP  11          1HD       HYP  11   0.513  -3.389  -0.670
   89   2HD   HYP  11          2HD       HYP  11   0.680  -3.841   1.015
   90    HOD  HYP  11           HOD      HYP  11  -0.041  -6.111   0.878
   91    HG   HYP  11           HG       HYP  11   0.889  -5.597  -1.296
   92    H    GLN  12           H        GLN  12   2.346  -2.419  -1.989
   93    HA   GLN  12           HA       GLN  12   3.791  -3.244  -4.322
   94   1HB   GLN  12          1HB       GLN  12   1.583  -1.170  -3.960
   95   2HB   GLN  12          2HB       GLN  12   2.224  -1.690  -5.507
   96   1HG   GLN  12          1HG       GLN  12   1.557  -4.070  -4.919
   97   2HG   GLN  12          2HG       GLN  12   0.804  -3.458  -3.460
   98   1HE2  GLN  12          1HE2      GLN  12  -1.293  -3.422  -3.667
   99   2HE2  GLN  12          2HE2      GLN  12  -2.209  -2.893  -5.038
  100   1HN   AIB  13          H         AIB  13   3.779  -0.612  -1.952
  101   1HB1  AIB  13          1HB1      AIB  13   4.456   2.550  -1.523
  102   2HB1  AIB  13          2HB1      AIB  13   4.115   0.952  -0.818
  103   3HB1  AIB  13          3HB1      AIB  13   5.793   1.533  -0.935
  104   1HB2  AIB  13          1HB2      AIB  13   3.181   1.896  -3.531
  105   2HB2  AIB  13          2HB2      AIB  13   4.699   2.792  -3.787
  106   3HB2  AIB  13          3HB2      AIB  13   4.313   1.384  -4.806
  107    HA   HYP  14           HA       HYP  14   8.992   0.893  -2.543
  108   1HB   HYP  14          1HB       HYP  14   9.860  -1.562  -1.519
  109   2HB   HYP  14          2HB       HYP  14   9.405  -0.196  -0.519
  110   1HD   HYP  14          1HD       HYP  14   6.053  -1.855  -2.040
  111   2HD   HYP  14          2HD       HYP  14   5.909  -0.618  -0.809
  112    HOD  HYP  14           HOD      HYP  14   8.379  -1.710   1.180
  113    HG   HYP  14           HG       HYP  14   7.919  -2.717  -0.951
  114   1HN   AIB  15          H         AIB  15   7.174  -1.510  -4.232
  115   1HB1  AIB  15          1HB1      AIB  15   7.043  -2.673  -6.886
  116   2HB1  AIB  15          2HB1      AIB  15   7.505  -4.255  -6.215
  117   3HB1  AIB  15          3HB1      AIB  15   6.484  -3.150  -5.264
  118   1HB2  AIB  15          1HB2      AIB  15   8.673  -4.115  -3.850
  119   2HB2  AIB  15          2HB2      AIB  15   9.608  -4.464  -5.325
  120   3HB2  AIB  15          3HB2      AIB  15  10.208  -3.265  -4.153
  121    HA   PRO  16           HA       PRO  16   9.596  -1.401  -9.019
  122   1HB   PRO  16          1HB       PRO  16   8.821   1.161  -9.567
  123   2HB   PRO  16          2HB       PRO  16   7.770  -0.224  -9.779
  124   1HG   PRO  16          1HG       PRO  16   7.727   1.825  -7.649
  125   2HG   PRO  16          2HG       PRO  16   6.464   0.705  -8.120
  126   1HD   PRO  16          1HD       PRO  16   8.174   0.497  -5.827
  127   2HD   PRO  16          2HD       PRO  16   6.990  -0.680  -6.362
  128    H1   PHL  17           1H       PHL  17  13.660  -0.484  -7.085
  129    H2   PHL  17           2H       PHL  17  13.115  -0.191  -5.410
  130    HO   PHL  17           HO       PHL  17  15.090   1.276  -6.917
  131    HA   PHL  17           HA       PHL  17  12.678   1.648  -7.798
  132   2HN   PHL  17          H         PHL  17  10.574   0.292  -6.296
  133   1HB   PHL  17          2HB       PHL  17  11.846   1.745  -4.838
  134   2HB   PHL  17          3HB       PHL  17  12.926   2.878  -5.625
  135    HD1  PHL  17           1HD      PHL  17   9.654   2.387  -4.539
  136    HD2  PHL  17           2HD      PHL  17  11.845   4.079  -7.757
  137    HE1  PHL  17           1HE      PHL  17   7.701   3.864  -5.094
  138    HE2  PHL  17           2HE      PHL  17   9.892   5.554  -8.312
  139    HZ   PHL  17           HZ       PHL  17   7.843   5.429  -6.974
  Start of MODEL   10
    1   1H    ACE   1          1H        ACE   1 -11.082   1.111   4.813
    2   2H    ACE   1          2H        ACE   1 -11.600   2.760   5.242
    3   3H    ACE   1          3H        ACE   1 -11.785   2.175   3.571
    4    H    TRP   2           H        TRP   2  -9.901   4.039   5.649
    5    HA   TRP   2           HA       TRP   2  -7.921   4.535   3.751
    6   1HB   TRP   2          1HB       TRP   2  -8.321   5.165   6.642
    7   2HB   TRP   2          2HB       TRP   2  -6.732   5.415   5.946
    8    HD1  TRP   2           HD       TRP   2 -10.063   7.098   6.226
    9    HE1  TRP   2           1HE      TRP   2 -10.217   9.317   4.807
   10    HE3  TRP   2           3HE      TRP   2  -5.819   6.296   3.542
   11    HZ2  TRP   2           2HZ      TRP   2  -8.583  10.462   2.767
   12    HZ3  TRP   2           3HZ      TRP   2  -5.169   8.013   1.857
   13    HH2  TRP   2           HH       TRP   2  -6.474  10.040   1.449
   14    H    ILE   3           H        ILE   3  -8.088   2.363   6.637
   15    HA   ILE   3           HA       ILE   3  -5.375   1.646   6.556
   16    HB   ILE   3           HB       ILE   3  -6.896   1.493   8.510
   17   1HG1  ILE   3          1HG1      ILE   3  -5.964  -0.663   9.349
   18   2HG1  ILE   3          2HG1      ILE   3  -5.408  -1.030   7.728
   19   1HG2  ILE   3          1HG2      ILE   3  -8.452  -0.281   8.775
   20   2HG2  ILE   3          2HG2      ILE   3  -8.812   0.493   7.213
   21   3HG2  ILE   3          3HG2      ILE   3  -7.935  -1.056   7.259
   22   1HD1  ILE   3          1HD1      ILE   3  -4.653   1.611   9.007
   23   2HD1  ILE   3          2HD1      ILE   3  -3.755   0.128   9.410
   24   3HD1  ILE   3          3HD1      ILE   3  -3.809   0.706   7.728
   25    H    GLN   4           H        GLN   4  -8.272   0.519   4.841
   26    HA   GLN   4           HA       GLN   4  -7.097  -1.900   4.001
   27   1HB   GLN   4          1HB       GLN   4  -9.556  -0.319   3.240
   28   2HB   GLN   4          2HB       GLN   4  -9.057  -1.656   2.224
   29   1HG   GLN   4          1HG       GLN   4  -9.219  -3.233   4.068
   30   2HG   GLN   4          2HG       GLN   4  -9.401  -1.944   5.240
   31   1HE2  GLN   4          1HE2      GLN   4 -11.311  -3.047   5.906
   32   2HE2  GLN   4          2HE2      GLN   4 -12.811  -2.832   5.068
   33   1HN   DIV   5          H         DIV   5  -7.814   1.241   2.296
   34   1HB1  DIV   5          2HB1      DIV   5  -6.285  -0.319  -0.398
   35   2HB1  DIV   5          3HB1      DIV   5  -5.897   1.232  -1.177
   36   1HG1  DIV   5          1HG1      DIV   5  -8.162   0.277  -1.731
   37   2HG1  DIV   5          2HG1      DIV   5  -8.630   0.579  -0.040
   38   3HG1  DIV   5          3HG1      DIV   5  -8.179   1.938  -1.097
   39   1HB2  DIV   5          1HB2      DIV   5  -6.138   3.329   0.077
   40   2HB2  DIV   5          2HB2      DIV   5  -7.680   2.952   0.883
   41   3HB2  DIV   5          3HB2      DIV   5  -6.233   3.315   1.855
   42    H    ILE   6           H        ILE   6  -4.995   1.769   3.187
   43    HA   ILE   6           HA       ILE   6  -2.401   2.088   2.159
   44    HB   ILE   6           HB       ILE   6  -3.578   1.681   4.888
   45   1HG1  ILE   6          1HG1      ILE   6  -1.940   4.013   3.916
   46   2HG1  ILE   6          2HG1      ILE   6  -3.630   3.875   3.475
   47   1HG2  ILE   6          1HG2      ILE   6  -0.642   1.767   4.166
   48   2HG2  ILE   6          2HG2      ILE   6  -1.269   2.151   5.786
   49   3HG2  ILE   6          3HG2      ILE   6  -1.514   0.527   5.100
   50   1HD1  ILE   6          1HD1      ILE   6  -4.286   3.752   5.853
   51   2HD1  ILE   6          2HD1      ILE   6  -2.575   3.797   6.340
   52   3HD1  ILE   6          3HD1      ILE   6  -3.315   5.214   5.556
   53    H    THR   7           H        THR   7  -4.078  -0.698   3.764
   54    HA   THR   7           HA       THR   7  -1.777  -2.277   3.947
   55    HB   THR   7           HB       THR   7  -4.777  -2.875   3.916
   56    HG1  THR   7           1HG      THR   7  -3.950  -1.631   5.708
   57   1HG2  THR   7          1HG2      THR   7  -3.531  -4.980   3.402
   58   2HG2  THR   7          2HG2      THR   7  -2.426  -4.654   4.759
   59   3HG2  THR   7          3HG2      THR   7  -4.143  -5.004   5.074
   60   1HN   AIB   8          H         AIB   8  -4.236  -1.944   1.351
   61   1HB1  AIB   8          1HB1      AIB   8  -4.688  -1.581  -1.092
   62   2HB1  AIB   8          2HB1      AIB   8  -4.703  -3.163  -1.906
   63   3HB1  AIB   8          3HB1      AIB   8  -5.540  -2.955  -0.348
   64   1HB2  AIB   8          1HB2      AIB   8  -2.314  -4.892   0.089
   65   2HB2  AIB   8          2HB2      AIB   8  -4.020  -4.952   0.598
   66   3HB2  AIB   8          3HB2      AIB   8  -3.604  -4.981  -1.133
   67    H    LEU   9           H        LEU   9  -2.277  -0.720   0.008
   68    HA   LEU   9           HA       LEU   9  -0.817  -1.023  -2.477
   69   1HB   LEU   9          1HB       LEU   9  -1.278   1.321  -0.631
   70   2HB   LEU   9          2HB       LEU   9  -0.299   1.394  -2.082
   71    HG   LEU   9           HG       LEU   9  -3.205   0.558  -2.134
   72   1HD1  LEU   9          1HD1      LEU   9  -3.876   2.786  -2.586
   73   2HD1  LEU   9          2HD1      LEU   9  -2.872   2.847  -1.118
   74   3HD1  LEU   9          3HD1      LEU   9  -2.191   3.354  -2.682
   75   1HD2  LEU   9          1HD2      LEU   9  -1.957  -0.100  -4.092
   76   2HD2  LEU   9          2HD2      LEU   9  -3.042   1.249  -4.508
   77   3HD2  LEU   9          3HD2      LEU   9  -1.302   1.546  -4.276
   78   1HN   AIB  10          H         AIB  10  -0.346  -1.463   0.926
   79   1HB1  AIB  10          1HB1      AIB  10   2.003  -2.862   2.676
   80   2HB1  AIB  10          2HB1      AIB  10   1.593  -1.289   3.401
   81   3HB1  AIB  10          3HB1      AIB  10   0.331  -2.252   2.594
   82   1HB2  AIB  10          1HB2      AIB  10   3.052   0.110   2.196
   83   2HB2  AIB  10          2HB2      AIB  10   2.390   0.673   0.642
   84   3HB2  AIB  10          3HB2      AIB  10   1.366   0.675   2.099
   85    HA   HYP  11           HA       HYP  11   4.460  -4.097   0.216
   86   1HB   HYP  11          1HB       HYP  11   3.188  -6.123  -1.236
   87   2HB   HYP  11          2HB       HYP  11   3.322  -6.115   0.511
   88   1HD   HYP  11          1HD       HYP  11   0.546  -3.394  -0.583
   89   2HD   HYP  11          2HD       HYP  11   0.731  -3.788   1.114
   90    HOD  HYP  11           HOD      HYP  11   1.436  -5.776   1.784
   91    HG   HYP  11           HG       HYP  11   0.915  -5.623  -1.137
   92    H    GLN  12           H        GLN  12   2.407  -2.414  -1.927
   93    HA   GLN  12           HA       GLN  12   3.796  -3.364  -4.260
   94   1HB   GLN  12          1HB       GLN  12   1.553  -1.318  -3.947
   95   2HB   GLN  12          2HB       GLN  12   2.182  -1.882  -5.483
   96   1HG   GLN  12          1HG       GLN  12   1.529  -4.219  -4.909
   97   2HG   GLN  12          2HG       GLN  12   0.932  -3.680  -3.352
   98   1HE2  GLN  12          1HE2      GLN  12  -1.018  -4.748  -4.214
   99   2HE2  GLN  12          2HE2      GLN  12  -2.145  -3.815  -5.143
  100   1HN   AIB  13          H         AIB  13   3.831  -0.667  -1.987
  101   1HB1  AIB  13          1HB1      AIB  13   4.801   2.549  -1.653
  102   2HB1  AIB  13          2HB1      AIB  13   4.044   1.083  -0.986
  103   3HB1  AIB  13          3HB1      AIB  13   5.816   1.255  -0.970
  104   1HB2  AIB  13          1HB2      AIB  13   4.304   1.269  -4.894
  105   2HB2  AIB  13          2HB2      AIB  13   3.218   1.830  -3.598
  106   3HB2  AIB  13          3HB2      AIB  13   4.744   2.691  -3.920
  107    HA   HYP  14           HA       HYP  14   9.019   0.783  -2.665
  108   1HB   HYP  14          1HB       HYP  14   9.897  -1.691  -1.699
  109   2HB   HYP  14          2HB       HYP  14   9.428  -0.354  -0.666
  110   1HD   HYP  14          1HD       HYP  14   6.096  -1.998  -2.246
  111   2HD   HYP  14          2HD       HYP  14   5.937  -0.791  -0.985
  112    HOD  HYP  14           HOD      HYP  14   7.394  -2.302   0.951
  113    HG   HYP  14           HG       HYP  14   7.961  -2.874  -1.171
  114   1HN   AIB  15          H         AIB  15   7.259  -1.707  -4.355
  115   1HB1  AIB  15          1HB1      AIB  15   6.562  -2.780  -5.873
  116   2HB1  AIB  15          2HB1      AIB  15   7.560  -3.259  -7.267
  117   3HB1  AIB  15          3HB1      AIB  15   7.382  -4.360  -5.879
  118   1HB2  AIB  15          1HB2      AIB  15   9.726  -4.566  -5.504
  119   2HB2  AIB  15          2HB2      AIB  15  10.342  -3.373  -4.335
  120   3HB2  AIB  15          3HB2      AIB  15   8.809  -4.219  -4.019
  121    HA   PRO  16           HA       PRO  16   9.873  -1.393  -9.117
  122   1HB   PRO  16          1HB       PRO  16   8.954   1.119  -9.682
  123   2HB   PRO  16          2HB       PRO  16   8.025  -0.335  -9.993
  124   1HG   PRO  16          1HG       PRO  16   7.677   1.662  -7.840
  125   2HG   PRO  16          2HG       PRO  16   6.537   0.465  -8.422
  126   1HD   PRO  16          1HD       PRO  16   8.085   0.332  -6.011
  127   2HD   PRO  16          2HD       PRO  16   7.033  -0.915  -6.652
  128    H1   PHL  17           1H       PHL  17  13.544  -0.507  -6.762
  129    H2   PHL  17           2H       PHL  17  13.088   0.016  -5.116
  130    HO   PHL  17           HO       PHL  17  14.668   1.567  -5.133
  131    HA   PHL  17           HA       PHL  17  12.711   1.733  -7.599
  132   2HN   PHL  17          H         PHL  17  10.547   0.267  -6.297
  133   1HB   PHL  17          2HB       PHL  17  11.583   1.739  -4.734
  134   2HB   PHL  17          3HB       PHL  17  12.765   2.881  -5.343
  135    HD1  PHL  17           1HD      PHL  17   9.302   2.202  -4.914
  136    HD2  PHL  17           2HD      PHL  17  12.043   4.379  -7.312
  137    HE1  PHL  17           1HE      PHL  17   7.449   3.729  -5.646
  138    HE2  PHL  17           2HE      PHL  17  10.190   5.906  -8.044
  139    HZ   PHL  17           HZ       PHL  17   7.915   5.562  -7.202
  Start of MODEL   11
    1   1H    ACE   1          1H        ACE   1 -11.514   1.657   3.850
    2   2H    ACE   1          2H        ACE   1 -10.967   1.669   5.543
    3   3H    ACE   1          3H        ACE   1 -11.699   3.130   4.834
    4    H    TRP   2           H        TRP   2  -9.694   4.183   5.651
    5    HA   TRP   2           HA       TRP   2  -7.898   4.511   3.501
    6   1HB   TRP   2          1HB       TRP   2  -8.574   6.260   5.145
    7   2HB   TRP   2          2HB       TRP   2  -7.618   5.440   6.363
    8    HD1  TRP   2           HD       TRP   2  -6.605   6.322   2.685
    9    HE1  TRP   2           1HE      TRP   2  -4.352   7.694   2.656
   10    HE3  TRP   2           3HE      TRP   2  -6.087   6.584   7.736
   11    HZ2  TRP   2           2HZ      TRP   2  -2.643   8.712   4.702
   12    HZ3  TRP   2           3HZ      TRP   2  -4.097   7.784   8.639
   13    HH2  TRP   2           HH       TRP   2  -2.409   8.827   7.211
   14    H    ILE   3           H        ILE   3  -7.970   2.589   6.517
   15    HA   ILE   3           HA       ILE   3  -5.205   1.949   6.454
   16    HB   ILE   3           HB       ILE   3  -7.113   1.886   8.338
   17   1HG1  ILE   3          1HG1      ILE   3  -4.763   1.917   8.818
   18   2HG1  ILE   3          2HG1      ILE   3  -5.498   0.606   9.719
   19   1HG2  ILE   3          1HG2      ILE   3  -6.836  -0.991   7.429
   20   2HG2  ILE   3          2HG2      ILE   3  -7.586  -0.450   8.950
   21   3HG2  ILE   3          3HG2      ILE   3  -8.313   0.000   7.389
   22   1HD1  ILE   3          1HD1      ILE   3  -3.857   0.398   7.162
   23   2HD1  ILE   3          2HD1      ILE   3  -3.476  -0.281   8.762
   24   3HD1  ILE   3          3HD1      ILE   3  -4.814  -0.959   7.803
   25    H    GLN   4           H        GLN   4  -8.169   0.637   4.999
   26    HA   GLN   4           HA       GLN   4  -6.981  -1.811   4.269
   27   1HB   GLN   4          1HB       GLN   4  -9.488  -0.319   3.450
   28   2HB   GLN   4          2HB       GLN   4  -9.007  -1.767   2.586
   29   1HG   GLN   4          1HG       GLN   4  -9.222  -3.148   4.516
   30   2HG   GLN   4          2HG       GLN   4  -9.144  -1.788   5.618
   31   1HE2  GLN   4          1HE2      GLN   4 -11.092  -3.459   3.224
   32   2HE2  GLN   4          2HE2      GLN   4 -12.643  -2.863   3.713
   33   1HN   DIV   5          H         DIV   5  -7.766   1.240   2.441
   34   1HB1  DIV   5          2HB1      DIV   5  -6.359  -0.459  -0.251
   35   2HB1  DIV   5          3HB1      DIV   5  -6.023   1.059  -1.116
   36   1HG1  DIV   5          1HG1      DIV   5  -8.310   1.765  -0.913
   37   2HG1  DIV   5          2HG1      DIV   5  -8.301   0.096  -1.531
   38   3HG1  DIV   5          3HG1      DIV   5  -8.688   0.413   0.177
   39   1HB2  DIV   5          1HB2      DIV   5  -6.182   3.200   0.048
   40   2HB2  DIV   5          2HB2      DIV   5  -7.683   2.880   0.950
   41   3HB2  DIV   5          3HB2      DIV   5  -6.184   3.272   1.828
   42    H    ILE   6           H        ILE   6  -4.903   1.821   3.162
   43    HA   ILE   6           HA       ILE   6  -2.346   1.994   2.043
   44    HB   ILE   6           HB       ILE   6  -3.447   1.724   4.817
   45   1HG1  ILE   6          1HG1      ILE   6  -1.760   3.924   3.609
   46   2HG1  ILE   6          2HG1      ILE   6  -3.503   3.874   3.427
   47   1HG2  ILE   6          1HG2      ILE   6  -1.120   2.061   5.670
   48   2HG2  ILE   6          2HG2      ILE   6  -1.425   0.454   4.965
   49   3HG2  ILE   6          3HG2      ILE   6  -0.521   1.676   4.039
   50   1HD1  ILE   6          1HD1      ILE   6  -3.645   3.666   5.990
   51   2HD1  ILE   6          2HD1      ILE   6  -1.911   4.069   6.015
   52   3HD1  ILE   6          3HD1      ILE   6  -3.086   5.234   5.359
   53    H    THR   7           H        THR   7  -3.952  -0.669   3.925
   54    HA   THR   7           HA       THR   7  -1.737  -2.320   4.021
   55    HB   THR   7           HB       THR   7  -4.746  -2.885   4.013
   56    HG1  THR   7           1HG      THR   7  -4.309  -2.715   6.296
   57   1HG2  THR   7          1HG2      THR   7  -2.349  -4.631   4.763
   58   2HG2  THR   7          2HG2      THR   7  -3.984  -4.913   5.406
   59   3HG2  THR   7          3HG2      THR   7  -3.681  -5.043   3.658
   60   1HN   AIB   8          H         AIB   8  -4.288  -2.068   1.488
   61   1HB1  AIB   8          1HB1      AIB   8  -4.923  -3.510  -1.647
   62   2HB1  AIB   8          2HB1      AIB   8  -5.670  -3.223  -0.057
   63   3HB1  AIB   8          3HB1      AIB   8  -4.901  -1.878  -0.935
   64   1HB2  AIB   8          1HB2      AIB   8  -3.751  -5.250  -0.824
   65   2HB2  AIB   8          2HB2      AIB   8  -2.377  -5.058   0.292
   66   3HB2  AIB   8          3HB2      AIB   8  -4.040  -5.115   0.927
   67    H    LEU   9           H        LEU   9  -2.391  -0.925   0.014
   68    HA   LEU   9           HA       LEU   9  -1.082  -1.341  -2.546
   69   1HB   LEU   9          1HB       LEU   9  -1.538   1.096  -0.826
   70   2HB   LEU   9          2HB       LEU   9  -0.590   1.113  -2.300
   71    HG   LEU   9           HG       LEU   9  -3.505   0.299  -2.161
   72   1HD1  LEU   9          1HD1      LEU   9  -3.252   2.645  -1.531
   73   2HD1  LEU   9          2HD1      LEU   9  -2.300   2.949  -3.005
   74   3HD1  LEU   9          3HD1      LEU   9  -4.014   2.488  -3.131
   75   1HD2  LEU   9          1HD2      LEU   9  -1.487   0.443  -4.348
   76   2HD2  LEU   9          2HD2      LEU   9  -2.847  -0.680  -4.104
   77   3HD2  LEU   9          3HD2      LEU   9  -3.149   0.963  -4.717
   78   1HN   AIB  10          H         AIB  10  -0.428  -1.711   0.797
   79   1HB1  AIB  10          1HB1      AIB  10   1.838  -3.091   2.372
   80   2HB1  AIB  10          2HB1      AIB  10   1.837  -1.506   3.182
   81   3HB1  AIB  10          3HB1      AIB  10   0.314  -2.192   2.566
   82   1HB2  AIB  10          1HB2      AIB  10   2.172   0.561   0.381
   83   2HB2  AIB  10          2HB2      AIB  10   1.249   0.528   1.903
   84   3HB2  AIB  10          3HB2      AIB  10   2.962   0.044   1.888
   85    HA   HYP  11           HA       HYP  11   4.411  -4.173  -0.003
   86   1HB   HYP  11          1HB       HYP  11   3.190  -6.213  -1.477
   87   2HB   HYP  11          2HB       HYP  11   3.295  -6.205   0.272
   88   1HD   HYP  11          1HD       HYP  11   0.504  -3.520  -0.868
   89   2HD   HYP  11          2HD       HYP  11   0.665  -3.912   0.831
   90    HOD  HYP  11           HOD      HYP  11   1.047  -7.227   0.475
   91    HG   HYP  11           HG       HYP  11   0.910  -5.742  -1.418
   92    H    GLN  12           H        GLN  12   2.330  -2.575  -2.207
   93    HA   GLN  12           HA       GLN  12   3.864  -3.403  -4.491
   94   1HB   GLN  12          1HB       GLN  12   1.356  -1.802  -4.029
   95   2HB   GLN  12          2HB       GLN  12   2.233  -1.529  -5.521
   96   1HG   GLN  12          1HG       GLN  12   0.618  -3.274  -5.965
   97   2HG   GLN  12          2HG       GLN  12   2.196  -4.037  -5.935
   98   1HE2  GLN  12          1HE2      GLN  12  -0.813  -3.529  -4.243
   99   2HE2  GLN  12          2HE2      GLN  12  -0.678  -4.822  -3.098
  100   1HN   AIB  13          H         AIB  13   3.640  -0.717  -2.191
  101   1HB1  AIB  13          1HB1      AIB  13   5.703   1.539  -1.181
  102   2HB1  AIB  13          2HB1      AIB  13   4.209   2.365  -1.686
  103   3HB1  AIB  13          3HB1      AIB  13   4.127   0.739  -0.970
  104   1HB2  AIB  13          1HB2      AIB  13   4.220   1.301  -4.997
  105   2HB2  AIB  13          2HB2      AIB  13   3.072   1.782  -3.724
  106   3HB2  AIB  13          3HB2      AIB  13   4.583   2.696  -3.954
  107    HA   HYP  14           HA       HYP  14   8.856   0.943  -2.638
  108   1HB   HYP  14          1HB       HYP  14   9.816  -1.455  -1.564
  109   2HB   HYP  14          2HB       HYP  14   9.247  -0.112  -0.592
  110   1HD   HYP  14          1HD       HYP  14   6.054  -1.962  -2.232
  111   2HD   HYP  14          2HD       HYP  14   5.793  -0.727  -1.015
  112    HOD  HYP  14           HOD      HYP  14   6.651  -1.685   0.811
  113    HG   HYP  14           HG       HYP  14   7.920  -2.713  -1.065
  114   1HN   AIB  15          H         AIB  15   7.269  -1.652  -4.329
  115   1HB1  AIB  15          1HB1      AIB  15   6.673  -2.848  -5.779
  116   2HB1  AIB  15          2HB1      AIB  15   7.723  -3.239  -7.162
  117   3HB1  AIB  15          3HB1      AIB  15   7.593  -4.372  -5.795
  118   1HB2  AIB  15          1HB2      AIB  15  10.401  -3.207  -4.102
  119   2HB2  AIB  15          2HB2      AIB  15   8.884  -4.099  -3.828
  120   3HB2  AIB  15          3HB2      AIB  15   9.886  -4.462  -5.255
  121    HA   PRO  16           HA       PRO  16  10.120  -1.389  -8.960
  122   1HB   PRO  16          1HB       PRO  16   9.135   1.067  -9.646
  123   2HB   PRO  16          2HB       PRO  16   8.287  -0.431  -9.972
  124   1HG   PRO  16          1HG       PRO  16   7.730   1.601  -7.898
  125   2HG   PRO  16          2HG       PRO  16   6.677   0.343  -8.513
  126   1HD   PRO  16          1HD       PRO  16   8.081   0.334  -6.013
  127   2HD   PRO  16          2HD       PRO  16   7.120  -0.971  -6.680
  128    H1   PHL  17           1H       PHL  17  13.671  -0.195  -6.475
  129    H2   PHL  17           2H       PHL  17  12.985   0.201  -4.874
  130    HO   PHL  17           HO       PHL  17  15.223   1.275  -6.219
  131    HA   PHL  17           HA       PHL  17  12.709   1.922  -7.372
  132   2HN   PHL  17          H         PHL  17  10.533   0.401  -6.160
  133   1HB   PHL  17          2HB       PHL  17  11.393   1.939  -4.588
  134   2HB   PHL  17          3HB       PHL  17  12.582   3.109  -5.130
  135    HD1  PHL  17           1HD      PHL  17  11.967   4.562  -7.159
  136    HD2  PHL  17           2HD      PHL  17   9.117   2.317  -4.958
  137    HE1  PHL  17           1HE      PHL  17  10.129   6.018  -8.055
  138    HE2  PHL  17           2HE      PHL  17   7.279   3.773  -5.854
  139    HZ   PHL  17           HZ       PHL  17   7.807   5.605  -7.392
  Start of MODEL   12
    1   1H    ACE   1          1H        ACE   1 -11.404   1.815   3.962
    2   2H    ACE   1          2H        ACE   1 -10.952   2.240   5.630
    3   3H    ACE   1          3H        ACE   1 -11.624   3.482   4.546
    4    H    TRP   2           H        TRP   2  -9.482   4.455   5.527
    5    HA   TRP   2           HA       TRP   2  -7.653   4.565   3.396
    6   1HB   TRP   2          1HB       TRP   2  -7.824   5.687   6.156
    7   2HB   TRP   2          2HB       TRP   2  -6.270   5.713   5.347
    8    HD1  TRP   2           HD       TRP   2  -9.425   7.680   5.554
    9    HE1  TRP   2           1HE      TRP   2  -9.560   9.620   3.771
   10    HE3  TRP   2           3HE      TRP   2  -5.527   6.057   2.721
   11    HZ2  TRP   2           2HZ      TRP   2  -8.054  10.245   1.428
   12    HZ3  TRP   2           3HZ      TRP   2  -4.925   7.389   0.702
   13    HH2  TRP   2           HH       TRP   2  -6.117   9.418   0.041
   14    H    ILE   3           H        ILE   3  -7.869   2.726   6.468
   15    HA   ILE   3           HA       ILE   3  -5.147   1.906   6.405
   16    HB   ILE   3           HB       ILE   3  -7.543   1.440   8.081
   17   1HG1  ILE   3          1HG1      ILE   3  -5.696   3.178   8.428
   18   2HG1  ILE   3          2HG1      ILE   3  -6.184   2.219   9.811
   19   1HG2  ILE   3          1HG2      ILE   3  -6.994  -0.848   7.739
   20   2HG2  ILE   3          2HG2      ILE   3  -5.252  -0.529   7.919
   21   3HG2  ILE   3          3HG2      ILE   3  -6.333  -0.383   9.326
   22   1HD1  ILE   3          1HD1      ILE   3  -3.656   2.471   9.457
   23   2HD1  ILE   3          2HD1      ILE   3  -4.245   0.803   9.655
   24   3HD1  ILE   3          3HD1      ILE   3  -3.844   1.419   8.034
   25    H    GLN   4           H        GLN   4  -8.214   0.727   5.066
   26    HA   GLN   4           HA       GLN   4  -7.192  -1.814   4.401
   27   1HB   GLN   4          1HB       GLN   4  -9.628  -0.193   3.730
   28   2HB   GLN   4          2HB       GLN   4  -9.223  -1.500   2.634
   29   1HG   GLN   4          1HG       GLN   4  -9.245  -3.130   4.476
   30   2HG   GLN   4          2HG       GLN   4  -9.457  -1.854   5.658
   31   1HE2  GLN   4          1HE2      GLN   4 -11.134  -4.115   5.236
   32   2HE2  GLN   4          2HE2      GLN   4 -12.714  -3.560   4.793
   33   1HN   DIV   5          H         DIV   5  -7.763   1.242   2.509
   34   1HB1  DIV   5          2HB1      DIV   5  -6.602  -0.676  -0.131
   35   2HB1  DIV   5          3HB1      DIV   5  -6.131   0.748  -1.088
   36   1HG1  DIV   5          1HG1      DIV   5  -8.508  -0.038  -1.398
   37   2HG1  DIV   5          2HG1      DIV   5  -8.825   0.480   0.274
   38   3HG1  DIV   5          3HG1      DIV   5  -8.328   1.674  -0.948
   39   1HB2  DIV   5          1HB2      DIV   5  -6.154   2.979  -0.033
   40   2HB2  DIV   5          2HB2      DIV   5  -7.643   2.796   0.924
   41   3HB2  DIV   5          3HB2      DIV   5  -6.097   3.135   1.740
   42    H    ILE   6           H        ILE   6  -4.867   1.558   3.148
   43    HA   ILE   6           HA       ILE   6  -2.428   1.820   1.686
   44    HB   ILE   6           HB       ILE   6  -3.302   3.123   3.747
   45   1HG1  ILE   6          1HG1      ILE   6  -0.407   2.231   3.647
   46   2HG1  ILE   6          2HG1      ILE   6  -1.118   3.416   2.568
   47   1HG2  ILE   6          1HG2      ILE   6  -1.808   0.950   5.223
   48   2HG2  ILE   6          2HG2      ILE   6  -2.714   2.327   5.894
   49   3HG2  ILE   6          3HG2      ILE   6  -3.583   0.994   5.095
   50   1HD1  ILE   6          1HD1      ILE   6  -0.839   3.614   5.597
   51   2HD1  ILE   6          2HD1      ILE   6  -0.069   4.643   4.364
   52   3HD1  ILE   6          3HD1      ILE   6  -1.826   4.744   4.636
   53    H    THR   7           H        THR   7  -4.048  -0.660   3.654
   54    HA   THR   7           HA       THR   7  -1.754  -2.306   3.959
   55    HB   THR   7           HB       THR   7  -4.775  -2.727   4.155
   56    HG1  THR   7           1HG      THR   7  -3.857  -1.478   5.850
   57   1HG2  THR   7          1HG2      THR   7  -4.175  -4.811   5.425
   58   2HG2  THR   7          2HG2      THR   7  -3.727  -4.939   3.707
   59   3HG2  THR   7          3HG2      THR   7  -2.478  -4.601   4.929
   60   1HN   AIB   8          H         AIB   8  -4.410  -2.127   1.530
   61   1HB1  AIB   8          1HB1      AIB   8  -4.964  -1.834  -0.919
   62   2HB1  AIB   8          2HB1      AIB   8  -5.044  -3.453  -1.652
   63   3HB1  AIB   8          3HB1      AIB   8  -5.793  -3.157  -0.064
   64   1HB2  AIB   8          1HB2      AIB   8  -2.566  -5.118   0.289
   65   2HB2  AIB   8          2HB2      AIB   8  -4.250  -5.143   0.869
   66   3HB2  AIB   8          3HB2      AIB   8  -3.906  -5.241  -0.875
   67    H    LEU   9           H        LEU   9  -2.567  -0.919  -0.039
   68    HA   LEU   9           HA       LEU   9  -1.223  -1.376  -2.562
   69   1HB   LEU   9          1HB       LEU   9  -1.631   1.083  -0.859
   70   2HB   LEU   9          2HB       LEU   9  -0.728   1.070  -2.361
   71    HG   LEU   9           HG       LEU   9  -3.616   0.190  -2.205
   72   1HD1  LEU   9          1HD1      LEU   9  -2.562   2.972  -2.783
   73   2HD1  LEU   9          2HD1      LEU   9  -4.247   2.434  -2.976
   74   3HD1  LEU   9          3HD1      LEU   9  -3.504   2.470  -1.360
   75   1HD2  LEU   9          1HD2      LEU   9  -1.802   1.009  -4.487
   76   2HD2  LEU   9          2HD2      LEU   9  -2.524  -0.589  -4.184
   77   3HD2  LEU   9          3HD2      LEU   9  -3.562   0.784  -4.636
   78   1HN   AIB  10          H         AIB  10  -0.571  -1.581   0.829
   79   1HB1  AIB  10          1HB1      AIB  10   0.243  -2.445   2.419
   80   2HB1  AIB  10          2HB1      AIB  10   1.949  -2.953   2.426
   81   3HB1  AIB  10          3HB1      AIB  10   1.476  -1.410   3.180
   82   1HB2  AIB  10          1HB2      AIB  10   2.028   0.609   0.402
   83   2HB2  AIB  10          2HB2      AIB  10   1.142   0.536   1.945
   84   3HB2  AIB  10          3HB2      AIB  10   2.855   0.054   1.877
   85    HA   HYP  11           HA       HYP  11   4.309  -4.117   0.136
   86   1HB   HYP  11          1HB       HYP  11   3.167  -6.265  -1.243
   87   2HB   HYP  11          2HB       HYP  11   3.211  -6.145   0.505
   88   1HD   HYP  11          1HD       HYP  11   0.425  -3.581  -0.897
   89   2HD   HYP  11          2HD       HYP  11   0.533  -3.862   0.829
   90    HOD  HYP  11           HOD      HYP  11   1.289  -5.811   1.655
   91    HG   HYP  11           HG       HYP  11   0.880  -5.828  -1.289
   92    H    GLN  12           H        GLN  12   2.288  -2.685  -2.226
   93    HA   GLN  12           HA       GLN  12   3.948  -3.530  -4.403
   94   1HB   GLN  12          1HB       GLN  12   1.486  -1.804  -4.105
   95   2HB   GLN  12          2HB       GLN  12   2.436  -1.678  -5.573
   96   1HG   GLN  12          1HG       GLN  12   0.777  -3.354  -6.020
   97   2HG   GLN  12          2HG       GLN  12   2.278  -4.227  -5.784
   98   1HE2  GLN  12          1HE2      GLN  12  -0.683  -3.139  -4.198
   99   2HE2  GLN  12          2HE2      GLN  12  -0.796  -4.403  -3.021
  100   1HN   AIB  13          H         AIB  13   3.753  -0.885  -2.073
  101   1HB1  AIB  13          1HB1      AIB  13   4.511   2.385  -1.656
  102   2HB1  AIB  13          2HB1      AIB  13   3.784   0.876  -1.055
  103   3HB1  AIB  13          3HB1      AIB  13   5.540   1.134  -0.913
  104   1HB2  AIB  13          1HB2      AIB  13   4.277   1.099  -4.929
  105   2HB2  AIB  13          2HB2      AIB  13   3.087   1.585  -3.698
  106   3HB2  AIB  13          3HB2      AIB  13   4.572   2.539  -3.927
  107    HA   HYP  14           HA       HYP  14   8.882   0.876  -2.433
  108   1HB   HYP  14          1HB       HYP  14   9.845  -1.558  -1.448
  109   2HB   HYP  14          2HB       HYP  14   9.248  -0.264  -0.429
  110   1HD   HYP  14          1HD       HYP  14   6.100  -2.066  -2.204
  111   2HD   HYP  14          2HD       HYP  14   5.808  -0.888  -0.939
  112    HOD  HYP  14           HOD      HYP  14   8.232  -1.893   1.150
  113    HG   HYP  14           HG       HYP  14   7.952  -2.853  -1.038
  114   1HN   AIB  15          H         AIB  15   7.305  -1.512  -4.341
  115   1HB1  AIB  15          1HB1      AIB  15   7.267  -2.470  -6.935
  116   2HB1  AIB  15          2HB1      AIB  15   7.934  -4.078  -6.567
  117   3HB1  AIB  15          3HB1      AIB  15   6.813  -3.298  -5.426
  118   1HB2  AIB  15          1HB2      AIB  15   8.915  -4.060  -3.977
  119   2HB2  AIB  15          2HB2      AIB  15   9.931  -4.305  -5.418
  120   3HB2  AIB  15          3HB2      AIB  15  10.422  -3.134  -4.171
  121    HA   PRO  16           HA       PRO  16   9.866  -1.139  -8.992
  122   1HB   PRO  16          1HB       PRO  16   9.044   1.420  -9.489
  123   2HB   PRO  16          2HB       PRO  16   8.020   0.020  -9.735
  124   1HG   PRO  16          1HG       PRO  16   7.933   2.024  -7.563
  125   2HG   PRO  16          2HG       PRO  16   6.692   0.891  -8.062
  126   1HD   PRO  16          1HD       PRO  16   8.398   0.666  -5.767
  127   2HD   PRO  16          2HD       PRO  16   7.238  -0.520  -6.331
  128    H1   PHL  17           1H       PHL  17  13.931  -0.157  -7.067
  129    H2   PHL  17           2H       PHL  17  13.386   0.051  -5.378
  130    HO   PHL  17           HO       PHL  17  15.301   1.641  -6.837
  131    HA   PHL  17           HA       PHL  17  12.866   1.963  -7.693
  132   2HN   PHL  17          H         PHL  17  10.824   0.480  -6.228
  133   1HB   PHL  17          2HB       PHL  17  12.068   1.922  -4.721
  134   2HB   PHL  17          3HB       PHL  17  13.084   3.128  -5.485
  135    HD1  PHL  17           1HD      PHL  17  11.940   4.398  -7.514
  136    HD2  PHL  17           2HD      PHL  17   9.833   2.411  -4.413
  137    HE1  PHL  17           1HE      PHL  17   9.916   5.805  -7.989
  138    HE2  PHL  17           2HE      PHL  17   7.808   3.817  -4.888
  139    HZ   PHL  17           HZ       PHL  17   7.873   5.496  -6.670
  Start of MODEL   13
    1   1H    ACE   1          1H        ACE   1 -11.049   1.885   5.509
    2   2H    ACE   1          2H        ACE   1 -11.772   3.027   4.351
    3   3H    ACE   1          3H        ACE   1 -11.340   1.382   3.827
    4    H    TRP   2           H        TRP   2  -9.710   4.079   5.614
    5    HA   TRP   2           HA       TRP   2  -7.861   4.510   3.527
    6   1HB   TRP   2          1HB       TRP   2  -8.235   6.346   4.876
    7   2HB   TRP   2          2HB       TRP   2  -8.157   5.421   6.362
    8    HD1  TRP   2           HD       TRP   2  -6.025   6.123   7.682
    9    HE1  TRP   2           1HE      TRP   2  -3.511   6.764   7.201
   10    HE3  TRP   2           3HE      TRP   2  -6.345   5.733   2.622
   11    HZ2  TRP   2           2HZ      TRP   2  -1.972   7.030   4.812
   12    HZ3  TRP   2           3HZ      TRP   2  -4.290   6.200   1.290
   13    HH2  TRP   2           HH       TRP   2  -2.158   6.830   2.305
   14    H    ILE   3           H        ILE   3  -7.981   2.473   6.472
   15    HA   ILE   3           HA       ILE   3  -5.230   1.796   6.407
   16    HB   ILE   3           HB       ILE   3  -7.659   0.915   7.886
   17   1HG1  ILE   3          1HG1      ILE   3  -6.374   2.825   8.687
   18   2HG1  ILE   3          2HG1      ILE   3  -6.291   1.492   9.822
   19   1HG2  ILE   3          1HG2      ILE   3  -6.855  -1.236   7.498
   20   2HG2  ILE   3          2HG2      ILE   3  -5.153  -0.720   7.559
   21   3HG2  ILE   3          3HG2      ILE   3  -6.116  -0.787   9.054
   22   1HD1  ILE   3          1HD1      ILE   3  -4.143   2.603   8.031
   23   2HD1  ILE   3          2HD1      ILE   3  -4.041   2.072   9.727
   24   3HD1  ILE   3          3HD1      ILE   3  -4.094   0.867   8.418
   25    H    GLN   4           H        GLN   4  -8.213   0.523   4.921
   26    HA   GLN   4           HA       GLN   4  -7.058  -1.903   4.123
   27   1HB   GLN   4          1HB       GLN   4  -9.542  -0.350   3.413
   28   2HB   GLN   4          2HB       GLN   4  -9.072  -1.681   2.373
   29   1HG   GLN   4          1HG       GLN   4  -9.147  -3.264   4.220
   30   2HG   GLN   4          2HG       GLN   4  -9.309  -1.978   5.400
   31   1HE2  GLN   4          1HE2      GLN   4 -10.855  -3.625   2.701
   32   2HE2  GLN   4          2HE2      GLN   4 -12.498  -3.248   3.101
   33   1HN   DIV   5          H         DIV   5  -7.657   1.251   2.418
   34   1HB1  DIV   5          2HB1      DIV   5  -6.375  -0.435  -0.332
   35   2HB1  DIV   5          3HB1      DIV   5  -5.886   1.072  -1.141
   36   1HG1  DIV   5          1HG1      DIV   5  -8.099   1.967  -0.992
   37   2HG1  DIV   5          2HG1      DIV   5  -8.237   0.307  -1.618
   38   3HG1  DIV   5          3HG1      DIV   5  -8.626   0.652   0.084
   39   1HB2  DIV   5          1HB2      DIV   5  -5.950   3.204   1.869
   40   2HB2  DIV   5          2HB2      DIV   5  -5.971   3.196   0.089
   41   3HB2  DIV   5          3HB2      DIV   5  -7.480   2.934   0.999
   42    H    ILE   6           H        ILE   6  -4.791   1.542   3.190
   43    HA   ILE   6           HA       ILE   6  -2.287   1.869   1.856
   44    HB   ILE   6           HB       ILE   6  -3.374   2.872   4.109
   45   1HG1  ILE   6          1HG1      ILE   6  -0.428   2.574   3.456
   46   2HG1  ILE   6          2HG1      ILE   6  -1.506   3.822   2.863
   47   1HG2  ILE   6          1HG2      ILE   6  -1.376   0.837   5.121
   48   2HG2  ILE   6          2HG2      ILE   6  -2.334   1.997   6.070
   49   3HG2  ILE   6          3HG2      ILE   6  -3.142   0.646   5.239
   50   1HD1  ILE   6          1HD1      ILE   6  -0.382   4.847   4.689
   51   2HD1  ILE   6          2HD1      ILE   6  -1.959   4.377   5.368
   52   3HD1  ILE   6          3HD1      ILE   6  -0.516   3.389   5.701
   53    H    THR   7           H        THR   7  -4.028  -0.717   3.564
   54    HA   THR   7           HA       THR   7  -1.777  -2.417   3.875
   55    HB   THR   7           HB       THR   7  -4.808  -2.835   3.826
   56    HG1  THR   7           1HG      THR   7  -3.979  -1.640   5.630
   57   1HG2  THR   7          1HG2      THR   7  -3.697  -5.013   3.349
   58   2HG2  THR   7          2HG2      THR   7  -2.561  -4.732   4.689
   59   3HG2  THR   7          3HG2      THR   7  -4.291  -4.979   5.026
   60   1HN   AIB   8          H         AIB   8  -4.279  -2.028   1.310
   61   1HB1  AIB   8          1HB1      AIB   8  -4.746  -3.145  -1.981
   62   2HB1  AIB   8          2HB1      AIB   8  -5.579  -2.974  -0.417
   63   3HB1  AIB   8          3HB1      AIB   8  -4.724  -1.582  -1.128
   64   1HB2  AIB   8          1HB2      AIB   8  -4.055  -5.001   0.472
   65   2HB2  AIB   8          2HB2      AIB   8  -3.652  -4.981  -1.263
   66   3HB2  AIB   8          3HB2      AIB   8  -2.354  -4.930  -0.046
   67    H    LEU   9           H        LEU   9  -2.331  -0.747  -0.016
   68    HA   LEU   9           HA       LEU   9  -0.857  -0.978  -2.495
   69   1HB   LEU   9          1HB       LEU   9  -1.321   1.291  -0.561
   70   2HB   LEU   9          2HB       LEU   9  -0.299   1.419  -1.979
   71    HG   LEU   9           HG       LEU   9  -3.210   0.618  -2.151
   72   1HD1  LEU   9          1HD1      LEU   9  -2.049   3.412  -2.332
   73   2HD1  LEU   9          2HD1      LEU   9  -3.726   2.951  -2.709
   74   3HD1  LEU   9          3HD1      LEU   9  -3.111   2.787  -1.048
   75   1HD2  LEU   9          1HD2      LEU   9  -1.985   0.026  -4.114
   76   2HD2  LEU   9          2HD2      LEU   9  -2.942   1.479  -4.489
   77   3HD2  LEU   9          3HD2      LEU   9  -1.195   1.619  -4.176
   78   1HN   AIB  10          H         AIB  10  -0.391  -1.523   0.901
   79   1HB1  AIB  10          1HB1      AIB  10   2.003  -2.978   2.611
   80   2HB1  AIB  10          2HB1      AIB  10   1.498  -1.452   3.372
   81   3HB1  AIB  10          3HB1      AIB  10   0.306  -2.450   2.503
   82   1HB2  AIB  10          1HB2      AIB  10   1.314   0.551   2.143
   83   2HB2  AIB  10          2HB2      AIB  10   3.000  -0.017   2.237
   84   3HB2  AIB  10          3HB2      AIB  10   2.352   0.604   0.699
   85    HA   HYP  11           HA       HYP  11   4.426  -4.146   0.135
   86   1HB   HYP  11          1HB       HYP  11   3.181  -6.133  -1.391
   87   2HB   HYP  11          2HB       HYP  11   3.285  -6.171   0.357
   88   1HD   HYP  11          1HD       HYP  11   0.527  -3.423  -0.713
   89   2HD   HYP  11          2HD       HYP  11   0.684  -3.860   0.977
   90    HOD  HYP  11           HOD      HYP  11   0.999  -7.169   0.525
   91    HG   HYP  11           HG       HYP  11   0.906  -5.634  -1.319
   92    H    GLN  12           H        GLN  12   2.356  -2.480  -2.037
   93    HA   GLN  12           HA       GLN  12   3.844  -3.311  -4.343
   94   1HB   GLN  12          1HB       GLN  12   1.565  -1.311  -4.016
   95   2HB   GLN  12          2HB       GLN  12   2.260  -1.773  -5.557
   96   1HG   GLN  12          1HG       GLN  12   1.673  -4.184  -5.048
   97   2HG   GLN  12          2HG       GLN  12   0.885  -3.650  -3.577
   98   1HE2  GLN  12          1HE2      GLN  12  -1.186  -3.247  -3.669
   99   2HE2  GLN  12          2HE2      GLN  12  -2.122  -2.869  -5.076
  100   1HN   AIB  13          H         AIB  13   3.737  -0.652  -2.009
  101   1HB1  AIB  13          1HB1      AIB  13   4.251   0.801  -0.802
  102   2HB1  AIB  13          2HB1      AIB  13   5.770   1.689  -1.068
  103   3HB1  AIB  13          3HB1      AIB  13   4.218   2.420  -1.542
  104   1HB2  AIB  13          1HB2      AIB  13   4.628   2.764  -3.812
  105   2HB2  AIB  13          2HB2      AIB  13   4.286   1.361  -4.854
  106   3HB2  AIB  13          3HB2      AIB  13   3.128   1.832  -3.587
  107    HA   HYP  14           HA       HYP  14   8.954   0.912  -2.604
  108   1HB   HYP  14          1HB       HYP  14   9.855  -1.515  -1.543
  109   2HB   HYP  14          2HB       HYP  14   9.387  -0.139  -0.563
  110   1HD   HYP  14          1HD       HYP  14   6.051  -1.864  -2.046
  111   2HD   HYP  14          2HD       HYP  14   5.896  -0.607  -0.834
  112    HOD  HYP  14           HOD      HYP  14   7.513  -0.242   0.693
  113    HG   HYP  14           HG       HYP  14   7.930  -2.685  -0.950
  114   1HN   AIB  15          H         AIB  15   7.171  -1.579  -4.225
  115   1HB1  AIB  15          1HB1      AIB  15   7.523  -4.377  -6.053
  116   2HB1  AIB  15          2HB1      AIB  15   6.488  -3.159  -5.270
  117   3HB1  AIB  15          3HB1      AIB  15   7.121  -2.868  -6.909
  118   1HB2  AIB  15          1HB2      AIB  15   8.730  -4.129  -3.791
  119   2HB2  AIB  15          2HB2      AIB  15   9.663  -4.498  -5.262
  120   3HB2  AIB  15          3HB2      AIB  15  10.245  -3.258  -4.124
  121    HA   PRO  16           HA       PRO  16   9.692  -1.428  -8.995
  122   1HB   PRO  16          1HB       PRO  16   8.817   1.099  -9.558
  123   2HB   PRO  16          2HB       PRO  16   7.848  -0.335  -9.835
  124   1HG   PRO  16          1HG       PRO  16   7.599   1.685  -7.691
  125   2HG   PRO  16          2HG       PRO  16   6.418   0.510  -8.235
  126   1HD   PRO  16          1HD       PRO  16   8.021   0.360  -5.861
  127   2HD   PRO  16          2HD       PRO  16   6.925  -0.868  -6.466
  128    H1   PHL  17           1H       PHL  17  14.157   0.983  -5.823
  129    H2   PHL  17           2H       PHL  17  13.490  -0.426  -6.695
  130    HO   PHL  17           HO       PHL  17  11.921  -0.608  -4.921
  131    HA   PHL  17           HA       PHL  17  12.608   1.697  -7.608
  132   2HN   PHL  17          H         PHL  17  10.388   0.392  -6.236
  133   1HB   PHL  17          2HB       PHL  17  11.530   1.921  -4.735
  134   2HB   PHL  17          3HB       PHL  17  12.659   3.030  -5.487
  135    HD1  PHL  17           1HD      PHL  17   9.291   2.487  -4.697
  136    HD2  PHL  17           2HD      PHL  17  11.767   4.177  -7.701
  137    HE1  PHL  17           1HE      PHL  17   7.375   3.909  -5.476
  138    HE2  PHL  17           2HE      PHL  17   9.851   5.599  -8.480
  139    HZ   PHL  17           HZ       PHL  17   7.679   5.448  -7.358
  Start of MODEL   14
    1   1H    ACE   1          1H        ACE   1 -11.543   1.899   3.365
    2   2H    ACE   1          2H        ACE   1 -11.130   1.661   5.080
    3   3H    ACE   1          3H        ACE   1 -11.718   3.244   4.518
    4    H    TRP   2           H        TRP   2  -9.799   4.202   5.473
    5    HA   TRP   2           HA       TRP   2  -7.775   4.560   3.560
    6   1HB   TRP   2          1HB       TRP   2  -8.504   6.224   5.252
    7   2HB   TRP   2          2HB       TRP   2  -7.752   5.253   6.502
    8    HD1  TRP   2           HD       TRP   2  -6.196   6.209   3.046
    9    HE1  TRP   2           1HE      TRP   2  -3.894   7.456   3.383
   10    HE3  TRP   2           3HE      TRP   2  -6.409   6.338   8.125
   11    HZ2  TRP   2           2HZ      TRP   2  -2.455   8.336   5.684
   12    HZ3  TRP   2           3HZ      TRP   2  -4.515   7.409   9.340
   13    HH2  TRP   2           HH       TRP   2  -2.586   8.387   8.202
   14    H    ILE   3           H        ILE   3  -8.165   2.504   6.482
   15    HA   ILE   3           HA       ILE   3  -5.488   1.679   6.629
   16    HB   ILE   3           HB       ILE   3  -8.103   0.731   7.716
   17   1HG1  ILE   3          1HG1      ILE   3  -6.991   2.606   8.798
   18   2HG1  ILE   3          2HG1      ILE   3  -7.017   1.209   9.855
   19   1HG2  ILE   3          1HG2      ILE   3  -5.541  -0.851   7.652
   20   2HG2  ILE   3          2HG2      ILE   3  -6.699  -1.015   8.994
   21   3HG2  ILE   3          3HG2      ILE   3  -7.208  -1.384   7.329
   22   1HD1  ILE   3          1HD1      ILE   3  -4.638   0.720   8.710
   23   2HD1  ILE   3          2HD1      ILE   3  -4.688   2.479   8.437
   24   3HD1  ILE   3          3HD1      ILE   3  -4.793   1.832  10.092
   25    H    GLN   4           H        GLN   4  -8.283   0.644   4.679
   26    HA   GLN   4           HA       GLN   4  -7.078  -1.813   3.958
   27   1HB   GLN   4          1HB       GLN   4  -9.517  -0.270   3.033
   28   2HB   GLN   4          2HB       GLN   4  -8.990  -1.691   2.154
   29   1HG   GLN   4          1HG       GLN   4  -9.242  -3.110   4.106
   30   2HG   GLN   4          2HG       GLN   4  -9.435  -1.731   5.169
   31   1HE2  GLN   4          1HE2      GLN   4 -11.344  -3.154   5.689
   32   2HE2  GLN   4          2HE2      GLN   4 -12.829  -2.843   4.855
   33   1HN   DIV   5          H         DIV   5  -7.697   1.331   2.228
   34   1HB1  DIV   5          2HB1      DIV   5  -5.786  -0.114  -0.543
   35   2HB1  DIV   5          3HB1      DIV   5  -5.943   1.529  -1.207
   36   1HG1  DIV   5          1HG1      DIV   5  -8.372   1.461  -0.455
   37   2HG1  DIV   5          2HG1      DIV   5  -7.930   0.377  -1.796
   38   3HG1  DIV   5          3HG1      DIV   5  -8.132  -0.276  -0.153
   39   1HB2  DIV   5          1HB2      DIV   5  -7.396   3.071   0.589
   40   2HB2  DIV   5          2HB2      DIV   5  -6.289   3.301   1.964
   41   3HB2  DIV   5          3HB2      DIV   5  -5.677   3.439   0.297
   42    H    ILE   6           H        ILE   6  -4.893   1.814   3.220
   43    HA   ILE   6           HA       ILE   6  -2.245   1.974   2.359
   44    HB   ILE   6           HB       ILE   6  -3.614   1.534   4.984
   45   1HG1  ILE   6          1HG1      ILE   6  -1.682   3.722   4.247
   46   2HG1  ILE   6          2HG1      ILE   6  -3.344   3.785   3.694
   47   1HG2  ILE   6          1HG2      ILE   6  -1.316   1.742   6.041
   48   2HG2  ILE   6          2HG2      ILE   6  -1.717   0.169   5.310
   49   3HG2  ILE   6          3HG2      ILE   6  -0.650   1.304   4.449
   50   1HD1  ILE   6          1HD1      ILE   6  -2.880   4.956   5.919
   51   2HD1  ILE   6          2HD1      ILE   6  -4.204   3.766   5.951
   52   3HD1  ILE   6          3HD1      ILE   6  -2.610   3.342   6.620
   53    H    THR   7           H        THR   7  -4.057  -0.786   3.891
   54    HA   THR   7           HA       THR   7  -1.843  -2.446   4.065
   55    HB   THR   7           HB       THR   7  -4.819  -3.122   3.774
   56    HG1  THR   7           1HG      THR   7  -4.783  -2.120   5.744
   57   1HG2  THR   7          1HG2      THR   7  -2.959  -5.026   3.735
   58   2HG2  THR   7          2HG2      THR   7  -2.781  -4.612   5.457
   59   3HG2  THR   7          3HG2      THR   7  -4.348  -5.184   4.836
   60   1HN   AIB   8          H         AIB   8  -4.227  -2.050   1.393
   61   1HB1  AIB   8          1HB1      AIB   8  -4.747  -3.459  -1.774
   62   2HB1  AIB   8          2HB1      AIB   8  -5.532  -3.085  -0.221
   63   3HB1  AIB   8          3HB1      AIB   8  -4.690  -1.802  -1.123
   64   1HB2  AIB   8          1HB2      AIB   8  -3.543  -5.153  -1.011
   65   2HB2  AIB   8          2HB2      AIB   8  -2.249  -4.997   0.202
   66   3HB2  AIB   8          3HB2      AIB   8  -3.950  -5.093   0.719
   67    H    LEU   9           H        LEU   9  -2.246  -0.877   0.109
   68    HA   LEU   9           HA       LEU   9  -0.833  -1.159  -2.416
   69   1HB   LEU   9          1HB       LEU   9  -1.365   1.195  -0.602
   70   2HB   LEU   9          2HB       LEU   9  -0.374   1.282  -2.045
   71    HG   LEU   9           HG       LEU   9  -3.289   0.453  -2.029
   72   1HD1  LEU   9          1HD1      LEU   9  -3.172   2.741  -1.308
   73   2HD1  LEU   9          2HD1      LEU   9  -2.029   3.146  -2.611
   74   3HD1  LEU   9          3HD1      LEU   9  -3.709   2.707  -3.005
   75   1HD2  LEU   9          1HD2      LEU   9  -1.300   0.972  -4.242
   76   2HD2  LEU   9          2HD2      LEU   9  -2.274  -0.485  -3.937
   77   3HD2  LEU   9          3HD2      LEU   9  -3.061   1.008  -4.502
   78   1HN   AIB  10          H         AIB  10  -0.332  -1.606   0.962
   79   1HB1  AIB  10          1HB1      AIB  10   0.338  -2.280   2.674
   80   2HB1  AIB  10          2HB1      AIB  10   1.928  -3.077   2.611
   81   3HB1  AIB  10          3HB1      AIB  10   1.753  -1.502   3.424
   82   1HB2  AIB  10          1HB2      AIB  10   2.375   0.561   0.684
   83   2HB2  AIB  10          2HB2      AIB  10   1.400   0.527   2.174
   84   3HB2  AIB  10          3HB2      AIB  10   3.091  -0.030   2.202
   85    HA   HYP  11           HA       HYP  11   4.450  -4.212   0.135
   86   1HB   HYP  11          1HB       HYP  11   3.154  -6.180  -1.370
   87   2HB   HYP  11          2HB       HYP  11   3.302  -6.231   0.375
   88   1HD   HYP  11          1HD       HYP  11   0.536  -3.459  -0.609
   89   2HD   HYP  11          2HD       HYP  11   0.732  -3.908   1.074
   90    HOD  HYP  11           HOD      HYP  11   0.151  -6.746   0.604
   91    HG   HYP  11           HG       HYP  11   0.886  -5.669  -1.238
   92    H    GLN  12           H        GLN  12   2.394  -2.446  -1.934
   93    HA   GLN  12           HA       GLN  12   3.766  -3.325  -4.306
   94   1HB   GLN  12          1HB       GLN  12   1.511  -1.311  -3.901
   95   2HB   GLN  12          2HB       GLN  12   2.145  -1.785  -5.465
   96   1HG   GLN  12          1HG       GLN  12   1.552  -4.182  -4.944
   97   2HG   GLN  12          2HG       GLN  12   0.853  -3.658  -3.425
   98   1HE2  GLN  12          1HE2      GLN  12  -0.639  -5.017  -5.242
   99   2HE2  GLN  12          2HE2      GLN  12  -1.853  -4.002  -5.946
  100   1HN   AIB  13          H         AIB  13   3.809  -0.703  -1.948
  101   1HB1  AIB  13          1HB1      AIB  13   5.828   1.170  -0.881
  102   2HB1  AIB  13          2HB1      AIB  13   4.805   2.488  -1.498
  103   3HB1  AIB  13          3HB1      AIB  13   4.056   0.997  -0.877
  104   1HB2  AIB  13          1HB2      AIB  13   3.204   1.848  -3.457
  105   2HB2  AIB  13          2HB2      AIB  13   4.729   2.718  -3.756
  106   3HB2  AIB  13          3HB2      AIB  13   4.275   1.336  -4.783
  107    HA   HYP  14           HA       HYP  14   9.003   0.747  -2.608
  108   1HB   HYP  14          1HB       HYP  14   9.882  -1.762  -1.737
  109   2HB   HYP  14          2HB       HYP  14   9.422  -0.462  -0.654
  110   1HD   HYP  14          1HD       HYP  14   6.077  -2.041  -2.274
  111   2HD   HYP  14          2HD       HYP  14   5.927  -0.882  -0.969
  112    HOD  HYP  14           HOD      HYP  14   6.813  -2.014   0.754
  113    HG   HYP  14           HG       HYP  14   7.947  -2.959  -1.242
  114   1HN   AIB  15          H         AIB  15   7.232  -1.676  -4.388
  115   1HB1  AIB  15          1HB1      AIB  15   7.508  -3.190  -7.282
  116   2HB1  AIB  15          2HB1      AIB  15   7.411  -4.357  -5.943
  117   3HB1  AIB  15          3HB1      AIB  15   6.534  -2.810  -5.841
  118   1HB2  AIB  15          1HB2      AIB  15   9.729  -4.519  -5.541
  119   2HB2  AIB  15          2HB2      AIB  15  10.339  -3.322  -4.374
  120   3HB2  AIB  15          3HB2      AIB  15   8.818  -4.188  -4.050
  121    HA   PRO  16           HA       PRO  16   9.839  -1.300  -9.135
  122   1HB   PRO  16          1HB       PRO  16   8.883   1.206  -9.663
  123   2HB   PRO  16          2HB       PRO  16   7.978  -0.255 -10.003
  124   1HG   PRO  16          1HG       PRO  16   7.590   1.698  -7.819
  125   2HG   PRO  16          2HG       PRO  16   6.472   0.494  -8.427
  126   1HD   PRO  16          1HD       PRO  16   8.009   0.343  -6.011
  127   2HD   PRO  16          2HD       PRO  16   6.980  -0.909  -6.678
  128    H1   PHL  17           1H       PHL  17  13.609  -0.173  -6.822
  129    H2   PHL  17           2H       PHL  17  12.951   0.083  -5.181
  130    HO   PHL  17           HO       PHL  17  14.691   1.966  -6.496
  131    HA   PHL  17           HA       PHL  17  12.550   1.930  -7.570
  132   2HN   PHL  17          H         PHL  17  10.453   0.355  -6.289
  133   1HB   PHL  17          2HB       PHL  17  11.442   1.852  -4.700
  134   2HB   PHL  17          3HB       PHL  17  12.531   3.076  -5.323
  135    HD1  PHL  17           1HD      PHL  17  11.644   4.408  -7.409
  136    HD2  PHL  17           2HD      PHL  17   9.164   2.267  -4.713
  137    HE1  PHL  17           1HE      PHL  17   9.677   5.800  -8.113
  138    HE2  PHL  17           2HE      PHL  17   7.197   3.659  -5.416
  139    HZ   PHL  17           HZ       PHL  17   7.478   5.410  -7.107
  Start of MODEL   15
    1   1H    ACE   1          1H        ACE   1 -11.342   1.335   3.890
    2   2H    ACE   1          2H        ACE   1 -11.194   2.098   5.491
    3   3H    ACE   1          3H        ACE   1 -11.825   3.034   4.114
    4    H    TRP   2           H        TRP   2  -9.752   4.086   5.600
    5    HA   TRP   2           HA       TRP   2  -7.828   4.459   3.570
    6   1HB   TRP   2          1HB       TRP   2  -8.554   6.146   5.263
    7   2HB   TRP   2          2HB       TRP   2  -7.675   5.247   6.483
    8    HD1  TRP   2           HD       TRP   2  -6.471   6.282   2.903
    9    HE1  TRP   2           1HE      TRP   2  -4.188   7.597   3.045
   10    HE3  TRP   2           3HE      TRP   2  -6.183   6.279   7.979
   11    HZ2  TRP   2           2HZ      TRP   2  -2.554   8.469   5.216
   12    HZ3  TRP   2           3HZ      TRP   2  -4.210   7.384   9.030
   13    HH2  TRP   2           HH       TRP   2  -2.435   8.454   7.735
   14    H    ILE   3           H        ILE   3  -8.099   2.439   6.519
   15    HA   ILE   3           HA       ILE   3  -5.402   1.655   6.606
   16    HB   ILE   3           HB       ILE   3  -7.976   0.725   7.780
   17   1HG1  ILE   3          1HG1      ILE   3  -6.461   2.584   8.686
   18   2HG1  ILE   3          2HG1      ILE   3  -7.022   1.362   9.811
   19   1HG2  ILE   3          1HG2      ILE   3  -7.076  -1.397   7.223
   20   2HG2  ILE   3          2HG2      ILE   3  -5.434  -0.911   7.708
   21   3HG2  ILE   3          3HG2      ILE   3  -6.701  -1.122   8.941
   22   1HD1  ILE   3          1HD1      ILE   3  -4.536   1.936   9.964
   23   2HD1  ILE   3          2HD1      ILE   3  -4.903   0.205   9.774
   24   3HD1  ILE   3          3HD1      ILE   3  -4.341   1.155   8.377
   25    H    GLN   4           H        GLN   4  -8.237   0.577   4.735
   26    HA   GLN   4           HA       GLN   4  -7.009  -1.853   3.965
   27   1HB   GLN   4          1HB       GLN   4  -9.489  -0.344   3.079
   28   2HB   GLN   4          2HB       GLN   4  -8.967  -1.786   2.230
   29   1HG   GLN   4          1HG       GLN   4  -9.154  -3.144   4.240
   30   2HG   GLN   4          2HG       GLN   4  -9.372  -1.730   5.252
   31   1HE2  GLN   4          1HE2      GLN   4 -10.789  -3.761   2.774
   32   2HE2  GLN   4          2HE2      GLN   4 -12.446  -3.311   3.006
   33   1HN   DIV   5          H         DIV   5  -7.727   1.294   2.276
   34   1HB1  DIV   5          2HB1      DIV   5  -5.961  -0.146  -0.518
   35   2HB1  DIV   5          3HB1      DIV   5  -5.966   1.497  -1.197
   36   1HG1  DIV   5          1HG1      DIV   5  -8.384   1.680  -0.600
   37   2HG1  DIV   5          2HG1      DIV   5  -8.031   0.395  -1.779
   38   3HG1  DIV   5          3HG1      DIV   5  -8.342  -0.020  -0.077
   39   1HB2  DIV   5          1HB2      DIV   5  -7.540   3.040   0.860
   40   2HB2  DIV   5          2HB2      DIV   5  -6.152   3.334   1.935
   41   3HB2  DIV   5          3HB2      DIV   5  -5.943   3.419   0.168
   42    H    ILE   6           H        ILE   6  -4.898   1.844   3.191
   43    HA   ILE   6           HA       ILE   6  -2.277   2.024   2.260
   44    HB   ILE   6           HB       ILE   6  -3.566   1.566   4.923
   45   1HG1  ILE   6          1HG1      ILE   6  -1.713   3.790   4.071
   46   2HG1  ILE   6          2HG1      ILE   6  -3.418   3.819   3.668
   47   1HG2  ILE   6          1HG2      ILE   6  -1.278   1.772   5.943
   48   2HG2  ILE   6          2HG2      ILE   6  -1.611   0.222   5.135
   49   3HG2  ILE   6          3HG2      ILE   6  -0.602   1.447   4.329
   50   1HD1  ILE   6          1HD1      ILE   6  -3.096   5.025   5.764
   51   2HD1  ILE   6          2HD1      ILE   6  -3.963   3.510   6.117
   52   3HD1  ILE   6          3HD1      ILE   6  -2.223   3.642   6.470
   53    H    THR   7           H        THR   7  -4.035  -0.754   3.820
   54    HA   THR   7           HA       THR   7  -1.791  -2.380   3.972
   55    HB   THR   7           HB       THR   7  -4.788  -2.983   3.817
   56    HG1  THR   7           1HG      THR   7  -4.374  -1.916   5.743
   57   1HG2  THR   7          1HG2      THR   7  -3.618  -5.103   3.436
   58   2HG2  THR   7          2HG2      THR   7  -2.412  -4.708   4.683
   59   3HG2  THR   7          3HG2      THR   7  -4.096  -5.050   5.150
   60   1HN   AIB   8          H         AIB   8  -4.239  -2.057   1.348
   61   1HB1  AIB   8          1HB1      AIB   8  -4.747  -1.776  -1.104
   62   2HB1  AIB   8          2HB1      AIB   8  -4.729  -3.386  -1.862
   63   3HB1  AIB   8          3HB1      AIB   8  -5.538  -3.150  -0.294
   64   1HB2  AIB   8          1HB2      AIB   8  -3.925  -5.078   0.656
   65   2HB2  AIB   8          2HB2      AIB   8  -3.533  -5.129  -1.080
   66   3HB2  AIB   8          3HB2      AIB   8  -2.231  -4.963   0.123
   67    H    LEU   9           H        LEU   9  -2.294  -0.831   0.026
   68    HA   LEU   9           HA       LEU   9  -0.872  -1.085  -2.489
   69   1HB   LEU   9          1HB       LEU   9  -1.362   1.226  -0.611
   70   2HB   LEU   9          2HB       LEU   9  -0.367   1.337  -2.049
   71    HG   LEU   9           HG       LEU   9  -3.287   0.535  -2.079
   72   1HD1  LEU   9          1HD1      LEU   9  -2.099   3.252  -2.700
   73   2HD1  LEU   9          2HD1      LEU   9  -3.814   2.785  -2.785
   74   3HD1  LEU   9          3HD1      LEU   9  -2.981   2.832  -1.212
   75   1HD2  LEU   9          1HD2      LEU   9  -2.253  -0.307  -4.024
   76   2HD2  LEU   9          2HD2      LEU   9  -3.045   1.209  -4.517
   77   3HD2  LEU   9          3HD2      LEU   9  -1.286   1.170  -4.250
   78   1HN   AIB  10          H         AIB  10  -0.350  -1.645   0.869
   79   1HB1  AIB  10          1HB1      AIB  10   1.806  -3.091   2.495
   80   2HB1  AIB  10          2HB1      AIB  10   1.840  -1.529   3.345
   81   3HB1  AIB  10          3HB1      AIB  10   0.311  -2.141   2.670
   82   1HB2  AIB  10          1HB2      AIB  10   1.314   0.554   2.085
   83   2HB2  AIB  10          2HB2      AIB  10   3.018   0.041   2.136
   84   3HB2  AIB  10          3HB2      AIB  10   2.301   0.603   0.606
   85    HA   HYP  11           HA       HYP  11   4.475  -4.151   0.159
   86   1HB   HYP  11          1HB       HYP  11   3.261  -6.129  -1.403
   87   2HB   HYP  11          2HB       HYP  11   3.327  -6.175   0.347
   88   1HD   HYP  11          1HD       HYP  11   0.596  -3.419  -0.768
   89   2HD   HYP  11          2HD       HYP  11   0.715  -3.866   0.922
   90    HOD  HYP  11           HOD      HYP  11   0.021  -6.411   0.581
   91    HG   HYP  11           HG       HYP  11   0.986  -5.629  -1.378
   92    H    GLN  12           H        GLN  12   2.480  -2.436  -2.030
   93    HA   GLN  12           HA       GLN  12   4.040  -3.287  -4.303
   94   1HB   GLN  12          1HB       GLN  12   1.596  -1.478  -4.066
   95   2HB   GLN  12          2HB       GLN  12   2.384  -1.858  -5.584
   96   1HG   GLN  12          1HG       GLN  12   1.822  -4.284  -4.010
   97   2HG   GLN  12          2HG       GLN  12   0.364  -3.365  -4.331
   98   1HE2  GLN  12          1HE2      GLN  12   1.989  -5.862  -5.401
   99   2HE2  GLN  12          2HE2      GLN  12   1.751  -5.783  -7.115
  100   1HN   AIB  13          H         AIB  13   3.772  -0.663  -1.987
  101   1HB1  AIB  13          1HB1      AIB  13   4.289   2.370  -1.372
  102   2HB1  AIB  13          2HB1      AIB  13   4.317   0.720  -0.710
  103   3HB1  AIB  13          3HB1      AIB  13   5.841   1.610  -0.945
  104   1HB2  AIB  13          1HB2      AIB  13   4.694   2.822  -3.624
  105   2HB2  AIB  13          2HB2      AIB  13   4.331   1.476  -4.731
  106   3HB2  AIB  13          3HB2      AIB  13   3.186   1.895  -3.435
  107    HA   HYP  14           HA       HYP  14   9.021   0.842  -2.585
  108   1HB   HYP  14          1HB       HYP  14   9.884  -1.644  -1.634
  109   2HB   HYP  14          2HB       HYP  14   9.475  -0.294  -0.595
  110   1HD   HYP  14          1HD       HYP  14   6.061  -1.880  -2.055
  111   2HD   HYP  14          2HD       HYP  14   5.966  -0.665  -0.796
  112    HOD  HYP  14           HOD      HYP  14   7.639  -0.396   0.704
  113    HG   HYP  14           HG       HYP  14   7.944  -2.786  -1.036
  114   1HN   AIB  15          H         AIB  15   7.183  -1.685  -4.163
  115   1HB1  AIB  15          1HB1      AIB  15   6.422  -2.795  -5.610
  116   2HB1  AIB  15          2HB1      AIB  15   7.335  -3.111  -7.103
  117   3HB1  AIB  15          3HB1      AIB  15   7.285  -4.339  -5.815
  118   1HB2  AIB  15          1HB2      AIB  15   9.578  -4.551  -5.398
  119   2HB2  AIB  15          2HB2      AIB  15  10.229  -3.371  -4.234
  120   3HB2  AIB  15          3HB2      AIB  15   8.690  -4.200  -3.896
  121    HA   PRO  16           HA       PRO  16   9.660  -1.439  -9.028
  122   1HB   PRO  16          1HB       PRO  16   8.754   1.071  -9.620
  123   2HB   PRO  16          2HB       PRO  16   7.797  -0.375  -9.866
  124   1HG   PRO  16          1HG       PRO  16   7.547   1.673  -7.750
  125   2HG   PRO  16          2HG       PRO  16   6.373   0.478  -8.266
  126   1HD   PRO  16          1HD       PRO  16   7.998   0.378  -5.905
  127   2HD   PRO  16          2HD       PRO  16   6.910  -0.867  -6.481
  128    H1   PHL  17           1H       PHL  17  14.192   1.005  -5.986
  129    H2   PHL  17           2H       PHL  17  13.547  -0.388  -6.899
  130    HO   PHL  17           HO       PHL  17  13.607  -0.880  -4.665
  131    HA   PHL  17           HA       PHL  17  12.550   1.729  -7.688
  132   2HN   PHL  17          H         PHL  17  10.441   0.287  -6.272
  133   1HB   PHL  17          2HB       PHL  17  11.511   1.806  -4.791
  134   2HB   PHL  17          3HB       PHL  17  12.672   2.933  -5.463
  135    HD1  PHL  17           1HD      PHL  17   9.263   2.364  -4.797
  136    HD2  PHL  17           2HD      PHL  17  11.852   4.274  -7.566
  137    HE1  PHL  17           1HE      PHL  17   7.386   3.868  -5.516
  138    HE2  PHL  17           2HE      PHL  17   9.974   5.777  -8.284
  139    HZ   PHL  17           HZ       PHL  17   7.764   5.555  -7.251
  Start of MODEL   16
    1   1H    ACE   1          1H        ACE   1 -11.773   3.115   4.132
    2   2H    ACE   1          2H        ACE   1 -11.336   1.411   3.855
    3   3H    ACE   1          3H        ACE   1 -11.109   2.140   5.463
    4    H    TRP   2           H        TRP   2  -9.633   4.118   5.533
    5    HA   TRP   2           HA       TRP   2  -7.712   4.389   3.473
    6   1HB   TRP   2          1HB       TRP   2  -8.017   6.282   4.767
    7   2HB   TRP   2          2HB       TRP   2  -8.014   5.394   6.277
    8    HD1  TRP   2           HD       TRP   2  -5.866   6.008   7.614
    9    HE1  TRP   2           1HE      TRP   2  -3.312   6.492   7.159
   10    HE3  TRP   2           3HE      TRP   2  -6.130   5.504   2.561
   11    HZ2  TRP   2           2HZ      TRP   2  -1.725   6.608   4.790
   12    HZ3  TRP   2           3HZ      TRP   2  -4.034   5.819   1.251
   13    HH2  TRP   2           HH       TRP   2  -1.885   6.353   2.287
   14    H    ILE   3           H        ILE   3  -8.043   2.458   6.476
   15    HA   ILE   3           HA       ILE   3  -5.318   1.654   6.513
   16    HB   ILE   3           HB       ILE   3  -6.804   1.827   8.491
   17   1HG1  ILE   3          1HG1      ILE   3  -5.991  -0.277   9.563
   18   2HG1  ILE   3          2HG1      ILE   3  -5.483  -0.856   7.989
   19   1HG2  ILE   3          1HG2      ILE   3  -8.358  -0.007   8.988
   20   2HG2  ILE   3          2HG2      ILE   3  -8.850   0.910   7.544
   21   3HG2  ILE   3          3HG2      ILE   3  -8.075  -0.683   7.367
   22   1HD1  ILE   3          1HD1      ILE   3  -4.556   1.877   8.883
   23   2HD1  ILE   3          2HD1      ILE   3  -3.771   0.430   9.563
   24   3HD1  ILE   3          3HD1      ILE   3  -3.753   0.710   7.805
   25    H    GLN   4           H        GLN   4  -8.261   0.585   4.881
   26    HA   GLN   4           HA       GLN   4  -7.174  -1.923   4.148
   27   1HB   GLN   4          1HB       GLN   4  -9.600  -0.304   3.461
   28   2HB   GLN   4          2HB       GLN   4  -9.103  -1.499   2.280
   29   1HG   GLN   4          1HG       GLN   4  -9.209  -3.292   3.946
   30   2HG   GLN   4          2HG       GLN   4  -9.468  -2.142   5.242
   31   1HE2  GLN   4          1HE2      GLN   4 -11.312  -3.647   5.554
   32   2HE2  GLN   4          2HE2      GLN   4 -12.811  -3.298   4.760
   33   1HN   DIV   5          H         DIV   5  -7.726   1.218   2.393
   34   1HB1  DIV   5          2HB1      DIV   5  -6.393  -0.502  -0.280
   35   2HB1  DIV   5          3HB1      DIV   5  -5.888   0.980  -1.122
   36   1HG1  DIV   5          1HG1      DIV   5  -8.238   0.192  -1.604
   37   2HG1  DIV   5          2HG1      DIV   5  -8.647   0.614   0.076
   38   3HG1  DIV   5          3HG1      DIV   5  -8.099   1.876  -1.053
   39   1HB2  DIV   5          1HB2      DIV   5  -6.054   3.189   1.851
   40   2HB2  DIV   5          2HB2      DIV   5  -5.997   3.151   0.073
   41   3HB2  DIV   5          3HB2      DIV   5  -7.541   2.880   0.919
   42    H    ILE   6           H        ILE   6  -4.859   1.543   3.213
   43    HA   ILE   6           HA       ILE   6  -2.349   1.941   1.926
   44    HB   ILE   6           HB       ILE   6  -3.340   3.029   4.051
   45   1HG1  ILE   6          1HG1      ILE   6  -0.447   2.146   3.854
   46   2HG1  ILE   6          2HG1      ILE   6  -1.158   3.577   3.132
   47   1HG2  ILE   6          1HG2      ILE   6  -2.860   2.022   6.143
   48   2HG2  ILE   6          2HG2      ILE   6  -3.709   0.797   5.172
   49   3HG2  ILE   6          3HG2      ILE   6  -1.944   0.700   5.381
   50   1HD1  ILE   6          1HD1      ILE   6  -0.168   4.410   5.111
   51   2HD1  ILE   6          2HD1      ILE   6  -1.873   4.199   5.578
   52   3HD1  ILE   6          3HD1      ILE   6  -0.661   2.990   6.066
   53    H    THR   7           H        THR   7  -4.027  -0.731   3.581
   54    HA   THR   7           HA       THR   7  -1.710  -2.354   3.866
   55    HB   THR   7           HB       THR   7  -4.729  -2.837   3.921
   56    HG1  THR   7           1HG      THR   7  -4.025  -1.791   5.793
   57   1HG2  THR   7          1HG2      THR   7  -2.423  -4.723   4.648
   58   2HG2  THR   7          2HG2      THR   7  -4.132  -4.994   5.068
   59   3HG2  THR   7          3HG2      THR   7  -3.624  -4.996   3.362
   60   1HN   AIB   8          H         AIB   8  -4.245  -2.003   1.339
   61   1HB1  AIB   8          1HB1      AIB   8  -4.705  -1.553  -1.105
   62   2HB1  AIB   8          2HB1      AIB   8  -4.731  -3.118  -1.950
   63   3HB1  AIB   8          3HB1      AIB   8  -5.549  -2.941  -0.380
   64   1HB2  AIB   8          1HB2      AIB   8  -3.988  -4.974   0.488
   65   2HB2  AIB   8          2HB2      AIB   8  -3.622  -4.938  -1.253
   66   3HB2  AIB   8          3HB2      AIB   8  -2.298  -4.881  -0.064
   67    H    LEU   9           H        LEU   9  -2.331  -0.694   0.005
   68    HA   LEU   9           HA       LEU   9  -0.867  -0.891  -2.482
   69   1HB   LEU   9          1HB       LEU   9  -1.330   1.356  -0.520
   70   2HB   LEU   9          2HB       LEU   9  -0.328   1.505  -1.951
   71    HG   LEU   9           HG       LEU   9  -3.230   0.673  -2.100
   72   1HD1  LEU   9          1HD1      LEU   9  -2.113   3.488  -2.238
   73   2HD1  LEU   9          2HD1      LEU   9  -3.787   3.009  -2.609
   74   3HD1  LEU   9          3HD1      LEU   9  -3.153   2.822  -0.957
   75   1HD2  LEU   9          1HD2      LEU   9  -1.261   1.755  -4.129
   76   2HD2  LEU   9          2HD2      LEU   9  -2.004   0.138  -4.083
   77   3HD2  LEU   9          3HD2      LEU   9  -3.007   1.569  -4.423
   78   1HN   AIB  10          H         AIB  10  -0.371  -1.425   0.922
   79   1HB1  AIB  10          1HB1      AIB  10   2.042  -2.851   2.636
   80   2HB1  AIB  10          2HB1      AIB  10   1.536  -1.311   3.369
   81   3HB1  AIB  10          3HB1      AIB  10   0.343  -2.330   2.530
   82   1HB2  AIB  10          1HB2      AIB  10   1.364   0.667   2.108
   83   2HB2  AIB  10          2HB2      AIB  10   3.046   0.090   2.191
   84   3HB2  AIB  10          3HB2      AIB  10   2.384   0.687   0.651
   85    HA   HYP  11           HA       HYP  11   4.422  -4.079   0.118
   86   1HB   HYP  11          1HB       HYP  11   3.134  -6.082  -1.349
   87   2HB   HYP  11          2HB       HYP  11   3.280  -6.096   0.397
   88   1HD   HYP  11          1HD       HYP  11   0.505  -3.355  -0.644
   89   2HD   HYP  11          2HD       HYP  11   0.701  -3.770   1.048
   90    HOD  HYP  11           HOD      HYP  11  -0.021  -6.003   1.000
   91    HG   HYP  11           HG       HYP  11   0.863  -5.576  -1.229
   92    H    GLN  12           H        GLN  12   2.328  -2.402  -2.008
   93    HA   GLN  12           HA       GLN  12   3.713  -3.304  -4.354
   94   1HB   GLN  12          1HB       GLN  12   1.493  -1.245  -3.985
   95   2HB   GLN  12          2HB       GLN  12   2.117  -1.763  -5.539
   96   1HG   GLN  12          1HG       GLN  12   1.450  -4.115  -5.033
   97   2HG   GLN  12          2HG       GLN  12   0.850  -3.616  -3.464
   98   1HE2  GLN  12          1HE2      GLN  12  -0.886  -4.870  -4.957
   99   2HE2  GLN  12          2HE2      GLN  12  -2.079  -3.826  -5.657
  100   1HN   AIB  13          H         AIB  13   3.750  -0.607  -2.061
  101   1HB1  AIB  13          1HB1      AIB  13   3.921   1.135  -1.079
  102   2HB1  AIB  13          2HB1      AIB  13   5.675   1.431  -1.055
  103   3HB1  AIB  13          3HB1      AIB  13   4.581   2.631  -1.782
  104   1HB2  AIB  13          1HB2      AIB  13   4.665   2.726  -4.049
  105   2HB2  AIB  13          2HB2      AIB  13   4.283   1.275  -5.007
  106   3HB2  AIB  13          3HB2      AIB  13   3.143   1.849  -3.765
  107    HA   HYP  14           HA       HYP  14   8.933   0.872  -2.641
  108   1HB   HYP  14          1HB       HYP  14   9.785  -1.570  -1.572
  109   2HB   HYP  14          2HB       HYP  14   9.302  -0.196  -0.597
  110   1HD   HYP  14          1HD       HYP  14   5.993  -1.883  -2.181
  111   2HD   HYP  14          2HD       HYP  14   5.815  -0.634  -0.964
  112    HOD  HYP  14           HOD      HYP  14   6.722  -1.746   0.892
  113    HG   HYP  14           HG       HYP  14   7.835  -2.728  -1.040
  114   1HN   AIB  15          H         AIB  15   7.199  -1.675  -4.273
  115   1HB1  AIB  15          1HB1      AIB  15   6.517  -2.979  -5.565
  116   2HB1  AIB  15          2HB1      AIB  15   7.416  -3.131  -7.093
  117   3HB1  AIB  15          3HB1      AIB  15   7.487  -4.437  -5.886
  118   1HB2  AIB  15          1HB2      AIB  15   9.715  -4.556  -5.280
  119   2HB2  AIB  15          2HB2      AIB  15  10.279  -3.322  -4.127
  120   3HB2  AIB  15          3HB2      AIB  15   8.751  -4.185  -3.831
  121    HA   PRO  16           HA       PRO  16   9.885  -1.514  -9.000
  122   1HB   PRO  16          1HB       PRO  16   8.956   0.971  -9.658
  123   2HB   PRO  16          2HB       PRO  16   8.046  -0.500  -9.944
  124   1HG   PRO  16          1HG       PRO  16   7.638   1.557  -7.860
  125   2HG   PRO  16          2HG       PRO  16   6.520   0.333  -8.427
  126   1HD   PRO  16          1HD       PRO  16   8.022   0.287  -5.984
  127   2HD   PRO  16          2HD       PRO  16   6.994  -0.988  -6.606
  128    H1   PHL  17           1H       PHL  17  13.625  -0.350  -6.646
  129    H2   PHL  17           2H       PHL  17  12.889  -0.023  -5.052
  130    HO   PHL  17           HO       PHL  17  14.986   1.429  -6.391
  131    HA   PHL  17           HA       PHL  17  12.644   1.717  -7.542
  132   2HN   PHL  17          H         PHL  17  10.454   0.295  -6.231
  133   1HB   PHL  17          2HB       PHL  17  11.468   1.863  -4.700
  134   2HB   PHL  17          3HB       PHL  17  12.596   3.014  -5.388
  135    HD1  PHL  17           1HD      PHL  17  11.749   4.135  -7.653
  136    HD2  PHL  17           2HD      PHL  17   9.228   2.410  -4.706
  137    HE1  PHL  17           1HE      PHL  17   9.828   5.521  -8.485
  138    HE2  PHL  17           2HE      PHL  17   7.308   3.796  -5.538
  139    HZ   PHL  17           HZ       PHL  17   7.630   5.334  -7.417
  Start of MODEL   17
    1   1H    ACE   1          1H        ACE   1 -11.532   2.232   3.294
    2   2H    ACE   1          2H        ACE   1 -11.068   1.597   4.892
    3   3H    ACE   1          3H        ACE   1 -11.637   3.276   4.732
    4    H    TRP   2           H        TRP   2  -9.756   4.176   5.662
    5    HA   TRP   2           HA       TRP   2  -7.639   4.681   3.915
    6   1HB   TRP   2          1HB       TRP   2  -8.160   5.095   6.826
    7   2HB   TRP   2          2HB       TRP   2  -6.520   5.281   6.236
    8    HD1  TRP   2           HD       TRP   2  -9.718   7.193   6.516
    9    HE1  TRP   2           1HE      TRP   2  -9.638   9.524   5.283
   10    HE3  TRP   2           3HE      TRP   2  -5.432   6.273   3.939
   11    HZ2  TRP   2           2HZ      TRP   2  -7.831  10.696   3.409
   12    HZ3  TRP   2           3HZ      TRP   2  -4.578   8.065   2.430
   13    HH2  TRP   2           HH       TRP   2  -5.704  10.215   2.144
   14    H    ILE   3           H        ILE   3  -8.110   2.315   6.615
   15    HA   ILE   3           HA       ILE   3  -5.463   1.390   6.590
   16    HB   ILE   3           HB       ILE   3  -7.085   1.204   8.455
   17   1HG1  ILE   3          1HG1      ILE   3  -6.368  -1.085   9.147
   18   2HG1  ILE   3          2HG1      ILE   3  -5.756  -1.359   7.528
   19   1HG2  ILE   3          1HG2      ILE   3  -8.723  -0.585   8.489
   20   2HG2  ILE   3          2HG2      ILE   3  -9.045   0.516   7.128
   21   3HG2  ILE   3          3HG2      ILE   3  -8.277  -1.063   6.833
   22   1HD1  ILE   3          1HD1      ILE   3  -4.107  -0.485   9.372
   23   2HD1  ILE   3          2HD1      ILE   3  -4.038   0.249   7.752
   24   3HD1  ILE   3          3HD1      ILE   3  -4.874   1.093   9.078
   25    H    GLN   4           H        GLN   4  -8.334   0.653   4.643
   26    HA   GLN   4           HA       GLN   4  -7.303  -1.773   3.644
   27   1HB   GLN   4          1HB       GLN   4  -9.579   0.073   2.897
   28   2HB   GLN   4          2HB       GLN   4  -9.128  -1.218   1.801
   29   1HG   GLN   4          1HG       GLN   4  -9.484  -2.910   3.542
   30   2HG   GLN   4          2HG       GLN   4  -9.734  -1.674   4.758
   31   1HE2  GLN   4          1HE2      GLN   4 -11.300  -3.882   3.097
   32   2HE2  GLN   4          2HE2      GLN   4 -12.851  -3.154   2.845
   33   1HN   DIV   5          H         DIV   5  -7.680   1.553   2.197
   34   1HB1  DIV   5          2HB1      DIV   5  -6.105   0.114  -0.553
   35   2HB1  DIV   5          3HB1      DIV   5  -5.608   1.705  -1.172
   36   1HG1  DIV   5          1HG1      DIV   5  -7.859   2.525  -1.093
   37   2HG1  DIV   5          2HG1      DIV   5  -7.890   0.941  -1.903
   38   3HG1  DIV   5          3HG1      DIV   5  -8.415   1.085  -0.209
   39   1HB2  DIV   5          1HB2      DIV   5  -5.743   3.680   0.248
   40   2HB2  DIV   5          2HB2      DIV   5  -7.344   3.361   0.957
   41   3HB2  DIV   5          3HB2      DIV   5  -5.920   3.526   2.014
   42    H    ILE   6           H        ILE   6  -4.878   1.779   3.261
   43    HA   ILE   6           HA       ILE   6  -2.218   1.976   2.395
   44    HB   ILE   6           HB       ILE   6  -3.576   1.415   5.008
   45   1HG1  ILE   6          1HG1      ILE   6  -1.679   3.663   4.380
   46   2HG1  ILE   6          2HG1      ILE   6  -3.333   3.729   3.806
   47   1HG2  ILE   6          1HG2      ILE   6  -1.277   1.598   6.054
   48   2HG2  ILE   6          2HG2      ILE   6  -1.648   0.063   5.234
   49   3HG2  ILE   6          3HG2      ILE   6  -0.612   1.270   4.436
   50   1HD1  ILE   6          1HD1      ILE   6  -4.192   3.456   6.101
   51   2HD1  ILE   6          2HD1      ILE   6  -2.532   3.271   6.717
   52   3HD1  ILE   6          3HD1      ILE   6  -3.059   4.828   6.034
   53    H    THR   7           H        THR   7  -4.040  -0.812   3.867
   54    HA   THR   7           HA       THR   7  -1.855  -2.513   3.909
   55    HB   THR   7           HB       THR   7  -4.867  -3.040   3.732
   56    HG1  THR   7           1HG      THR   7  -4.556  -2.990   6.038
   57   1HG2  THR   7          1HG2      THR   7  -2.587  -4.829   4.731
   58   2HG2  THR   7          2HG2      THR   7  -4.324  -5.186   4.873
   59   3HG2  THR   7          3HG2      THR   7  -3.556  -5.132   3.268
   60   1HN   AIB   8          H         AIB   8  -4.261  -1.921   1.306
   61   1HB1  AIB   8          1HB1      AIB   8  -4.755  -2.946  -2.011
   62   2HB1  AIB   8          2HB1      AIB   8  -5.593  -2.768  -0.452
   63   3HB1  AIB   8          3HB1      AIB   8  -4.665  -1.405  -1.121
   64   1HB2  AIB   8          1HB2      AIB   8  -4.218  -4.882   0.382
   65   2HB2  AIB   8          2HB2      AIB   8  -3.725  -4.854  -1.329
   66   3HB2  AIB   8          3HB2      AIB   8  -2.491  -4.893  -0.046
   67    H    LEU   9           H        LEU   9  -2.251  -0.707  -0.005
   68    HA   LEU   9           HA       LEU   9  -0.774  -0.985  -2.477
   69   1HB   LEU   9          1HB       LEU   9  -1.112   1.296  -0.528
   70   2HB   LEU   9          2HB       LEU   9  -0.130   1.378  -1.977
   71    HG   LEU   9           HG       LEU   9  -3.091   0.751  -2.015
   72   1HD1  LEU   9          1HD1      LEU   9  -2.462   3.025  -1.022
   73   2HD1  LEU   9          2HD1      LEU   9  -1.898   3.446  -2.657
   74   3HD1  LEU   9          3HD1      LEU   9  -3.603   3.007  -2.389
   75   1HD2  LEU   9          1HD2      LEU   9  -2.850   1.517  -4.405
   76   2HD2  LEU   9          2HD2      LEU   9  -1.088   1.464  -4.165
   77   3HD2  LEU   9          3HD2      LEU   9  -2.052  -0.023  -4.004
   78   1HN   AIB  10          H         AIB  10  -0.352  -1.662   0.885
   79   1HB1  AIB  10          1HB1      AIB  10   0.252  -2.354   2.618
   80   2HB1  AIB  10          2HB1      AIB  10   1.817  -3.199   2.569
   81   3HB1  AIB  10          3HB1      AIB  10   1.674  -1.640   3.417
   82   1HB2  AIB  10          1HB2      AIB  10   1.357   0.425   2.202
   83   2HB2  AIB  10          2HB2      AIB  10   3.044  -0.141   2.264
   84   3HB2  AIB  10          3HB2      AIB  10   2.371   0.486   0.740
   85    HA   HYP  11           HA       HYP  11   4.434  -4.317   0.278
   86   1HB   HYP  11          1HB       HYP  11   3.211  -6.280  -1.295
   87   2HB   HYP  11          2HB       HYP  11   3.244  -6.318   0.457
   88   1HD   HYP  11          1HD       HYP  11   0.588  -3.516  -0.726
   89   2HD   HYP  11          2HD       HYP  11   0.667  -3.954   0.969
   90    HOD  HYP  11           HOD      HYP  11   1.126  -7.261   0.627
   91    HG   HYP  11           HG       HYP  11   0.946  -5.737  -1.314
   92    H    GLN  12           H        GLN  12   2.474  -2.630  -1.988
   93    HA   GLN  12           HA       GLN  12   4.049  -3.520  -4.221
   94   1HB   GLN  12          1HB       GLN  12   1.747  -1.525  -4.054
   95   2HB   GLN  12          2HB       GLN  12   2.490  -2.069  -5.545
   96   1HG   GLN  12          1HG       GLN  12   1.875  -4.443  -4.955
   97   2HG   GLN  12          2HG       GLN  12   1.072  -3.856  -3.512
   98   1HE2  GLN  12          1HE2      GLN  12  -0.963  -3.223  -3.615
   99   2HE2  GLN  12          2HE2      GLN  12  -1.897  -2.978  -5.053
  100   1HN   AIB  13          H         AIB  13   3.903  -0.857  -1.918
  101   1HB1  AIB  13          1HB1      AIB  13   3.989   0.872  -0.889
  102   2HB1  AIB  13          2HB1      AIB  13   5.732   1.233  -0.860
  103   3HB1  AIB  13          3HB1      AIB  13   4.589   2.413  -1.548
  104   1HB2  AIB  13          1HB2      AIB  13   4.604   2.567  -3.815
  105   2HB2  AIB  13          2HB2      AIB  13   4.292   1.119  -4.804
  106   3HB2  AIB  13          3HB2      AIB  13   3.144   1.591  -3.529
  107    HA   HYP  14           HA       HYP  14   9.008   0.921  -2.532
  108   1HB   HYP  14          1HB       HYP  14  10.013  -1.508  -1.578
  109   2HB   HYP  14          2HB       HYP  14   9.478  -0.202  -0.539
  110   1HD   HYP  14          1HD       HYP  14   6.231  -2.006  -2.123
  111   2HD   HYP  14          2HD       HYP  14   6.012  -0.816  -0.855
  112    HOD  HYP  14           HOD      HYP  14   7.613  -0.448   0.698
  113    HG   HYP  14           HG       HYP  14   8.141  -2.791  -1.054
  114   1HN   AIB  15          H         AIB  15   7.480  -1.851  -4.137
  115   1HB1  AIB  15          1HB1      AIB  15   8.177  -4.693  -5.261
  116   2HB1  AIB  15          2HB1      AIB  15   6.997  -3.361  -5.280
  117   3HB1  AIB  15          3HB1      AIB  15   7.946  -3.729  -6.739
  118   1HB2  AIB  15          1HB2      AIB  15  10.881  -2.867  -4.058
  119   2HB2  AIB  15          2HB2      AIB  15   9.585  -3.949  -3.495
  120   3HB2  AIB  15          3HB2      AIB  15  10.476  -4.331  -4.987
  121    HA   PRO  16           HA       PRO  16   9.762  -1.674  -8.993
  122   1HB   PRO  16          1HB       PRO  16   8.353   0.550  -9.726
  123   2HB   PRO  16          2HB       PRO  16   7.702  -1.074  -9.828
  124   1HG   PRO  16          1HG       PRO  16   7.099   1.045  -7.857
  125   2HG   PRO  16          2HG       PRO  16   6.178  -0.397  -8.234
  126   1HD   PRO  16          1HD       PRO  16   7.852   0.018  -5.943
  127   2HD   PRO  16          2HD       PRO  16   7.024  -1.462  -6.381
  128    H1   PHL  17           1H       PHL  17  13.304   0.264  -6.953
  129    H2   PHL  17           2H       PHL  17  12.622   0.723  -5.368
  130    HO   PHL  17           HO       PHL  17  13.876   2.505  -5.294
  131    HA   PHL  17           HA       PHL  17  12.029   2.083  -8.029
  132   2HN   PHL  17          H         PHL  17  10.095   0.564  -6.463
  133   1HB   PHL  17          2HB       PHL  17  11.000   2.409  -5.149
  134   2HB   PHL  17          3HB       PHL  17  11.868   3.624  -6.068
  135    HD1  PHL  17           1HD      PHL  17  10.699   4.334  -8.333
  136    HD2  PHL  17           2HD      PHL  17   8.696   2.534  -5.055
  137    HE1  PHL  17           1HE      PHL  17   8.520   5.271  -9.152
  138    HE2  PHL  17           2HE      PHL  17   6.515   3.470  -5.873
  139    HZ   PHL  17           HZ       PHL  17   6.453   4.828  -7.912
  Start of MODEL   18
    1   1H    ACE   1          1H        ACE   1 -11.616   2.059   3.413
    2   2H    ACE   1          2H        ACE   1 -11.010   1.478   4.982
    3   3H    ACE   1          3H        ACE   1 -11.628   3.139   4.828
    4    H    TRP   2           H        TRP   2  -9.745   4.178   5.514
    5    HA   TRP   2           HA       TRP   2  -7.814   4.591   3.501
    6   1HB   TRP   2          1HB       TRP   2  -8.545   6.243   5.226
    7   2HB   TRP   2          2HB       TRP   2  -7.670   5.317   6.430
    8    HD1  TRP   2           HD       TRP   2  -6.503   6.513   2.884
    9    HE1  TRP   2           1HE      TRP   2  -4.201   7.792   3.059
   10    HE3  TRP   2           3HE      TRP   2  -6.115   6.200   7.944
   11    HZ2  TRP   2           2HZ      TRP   2  -2.515   8.513   5.245
   12    HZ3  TRP   2           3HZ      TRP   2  -4.110   7.217   9.021
   13    HH2  TRP   2           HH       TRP   2  -2.347   8.344   7.756
   14    H    ILE   3           H        ILE   3  -8.064   2.547   6.444
   15    HA   ILE   3           HA       ILE   3  -5.325   1.816   6.443
   16    HB   ILE   3           HB       ILE   3  -6.673   1.809   8.451
   17   1HG1  ILE   3          1HG1      ILE   3  -6.118  -0.531   9.245
   18   2HG1  ILE   3          2HG1      ILE   3  -5.608  -0.897   7.608
   19   1HG2  ILE   3          1HG2      ILE   3  -8.843   1.265   7.930
   20   2HG2  ILE   3          2HG2      ILE   3  -8.373  -0.105   6.895
   21   3HG2  ILE   3          3HG2      ILE   3  -8.280  -0.254   8.666
   22   1HD1  ILE   3          1HD1      ILE   3  -4.500   1.429   9.245
   23   2HD1  ILE   3          2HD1      ILE   3  -3.721  -0.165   9.115
   24   3HD1  ILE   3          3HD1      ILE   3  -3.905   0.855   7.669
   25    H    GLN   4           H        GLN   4  -8.223   0.734   4.739
   26    HA   GLN   4           HA       GLN   4  -7.099  -1.750   3.983
   27   1HB   GLN   4          1HB       GLN   4  -9.505  -0.131   3.111
   28   2HB   GLN   4          2HB       GLN   4  -9.030  -1.553   2.203
   29   1HG   GLN   4          1HG       GLN   4  -9.315  -2.999   4.116
   30   2HG   GLN   4          2HG       GLN   4  -9.407  -1.645   5.224
   31   1HE2  GLN   4          1HE2      GLN   4 -11.377  -2.286   6.032
   32   2HE2  GLN   4          2HE2      GLN   4 -12.868  -2.125   5.165
   33   1HN   DIV   5          H         DIV   5  -7.677   1.411   2.268
   34   1HB1  DIV   5          2HB1      DIV   5  -5.991  -0.162  -0.489
   35   2HB1  DIV   5          3HB1      DIV   5  -5.910   1.456  -1.220
   36   1HG1  DIV   5          1HG1      DIV   5  -8.324   1.773  -0.617
   37   2HG1  DIV   5          2HG1      DIV   5  -8.023   0.470  -1.791
   38   3HG1  DIV   5          3HG1      DIV   5  -8.360   0.076  -0.089
   39   1HB2  DIV   5          1HB2      DIV   5  -5.999   3.410   1.829
   40   2HB2  DIV   5          2HB2      DIV   5  -5.907   3.418   0.052
   41   3HB2  DIV   5          3HB2      DIV   5  -7.464   3.111   0.861
   42    H    ILE   6           H        ILE   6  -4.843   1.880   3.160
   43    HA   ILE   6           HA       ILE   6  -2.222   1.997   2.201
   44    HB   ILE   6           HB       ILE   6  -3.486   1.623   4.894
   45   1HG1  ILE   6          1HG1      ILE   6  -1.646   3.835   4.004
   46   2HG1  ILE   6          2HG1      ILE   6  -3.334   3.841   3.532
   47   1HG2  ILE   6          1HG2      ILE   6  -1.175   1.885   5.861
   48   2HG2  ILE   6          2HG2      ILE   6  -1.524   0.303   5.122
   49   3HG2  ILE   6          3HG2      ILE   6  -0.535   1.495   4.246
   50   1HD1  ILE   6          1HD1      ILE   6  -2.354   3.604   6.415
   51   2HD1  ILE   6          2HD1      ILE   6  -2.925   5.108   5.654
   52   3HD1  ILE   6          3HD1      ILE   6  -4.048   3.746   5.887
   53    H    THR   7           H        THR   7  -4.012  -0.692   3.874
   54    HA   THR   7           HA       THR   7  -1.842  -2.395   4.032
   55    HB   THR   7           HB       THR   7  -4.852  -2.923   3.824
   56    HG1  THR   7           1HG      THR   7  -4.627  -2.084   5.857
   57   1HG2  THR   7          1HG2      THR   7  -3.951  -5.109   3.608
   58   2HG2  THR   7          2HG2      THR   7  -2.488  -4.695   4.533
   59   3HG2  THR   7          3HG2      THR   7  -4.041  -4.914   5.375
   60   1HN   AIB   8          H         AIB   8  -4.262  -2.034   1.383
   61   1HB1  AIB   8          1HB1      AIB   8  -5.587  -3.150  -0.230
   62   2HB1  AIB   8          2HB1      AIB   8  -4.779  -1.803  -1.066
   63   3HB1  AIB   8          3HB1      AIB   8  -4.786  -3.427  -1.795
   64   1HB2  AIB   8          1HB2      AIB   8  -3.651  -5.176  -0.965
   65   2HB2  AIB   8          2HB2      AIB   8  -2.307  -5.008   0.190
   66   3HB2  AIB   8          3HB2      AIB   8  -3.985  -5.076   0.779
   67    H    LEU   9           H        LEU   9  -2.294  -0.882   0.038
   68    HA   LEU   9           HA       LEU   9  -0.879  -1.219  -2.473
   69   1HB   LEU   9          1HB       LEU   9  -1.322   1.146  -0.651
   70   2HB   LEU   9          2HB       LEU   9  -0.332   1.203  -2.096
   71    HG   LEU   9           HG       LEU   9  -3.269   0.459  -2.091
   72   1HD1  LEU   9          1HD1      LEU   9  -3.725   2.709  -2.901
   73   2HD1  LEU   9          2HD1      LEU   9  -2.960   2.760  -1.295
   74   3HD1  LEU   9          3HD1      LEU   9  -2.003   3.133  -2.749
   75   1HD2  LEU   9          1HD2      LEU   9  -2.263  -0.460  -4.016
   76   2HD2  LEU   9          2HD2      LEU   9  -3.026   1.057  -4.549
   77   3HD2  LEU   9          3HD2      LEU   9  -1.266   0.989  -4.289
   78   1HN   AIB  10          H         AIB  10  -0.373  -1.748   0.881
   79   1HB1  AIB  10          1HB1      AIB  10   1.908  -1.755   3.346
   80   2HB1  AIB  10          2HB1      AIB  10   0.288  -2.169   2.736
   81   3HB1  AIB  10          3HB1      AIB  10   1.653  -3.277   2.456
   82   1HB2  AIB  10          1HB2      AIB  10   2.272   0.470   0.638
   83   2HB2  AIB  10          2HB2      AIB  10   1.337   0.399   2.151
   84   3HB2  AIB  10          3HB2      AIB  10   3.038  -0.124   2.130
   85    HA   HYP  11           HA       HYP  11   4.395  -4.358   0.291
   86   1HB   HYP  11          1HB       HYP  11   3.209  -6.315  -1.317
   87   2HB   HYP  11          2HB       HYP  11   3.170  -6.341   0.434
   88   1HD   HYP  11          1HD       HYP  11   0.603  -3.511  -0.870
   89   2HD   HYP  11          2HD       HYP  11   0.608  -3.940   0.829
   90    HOD  HYP  11           HOD      HYP  11   1.176  -5.958   1.523
   91    HG   HYP  11           HG       HYP  11   0.954  -5.740  -1.431
   92    H    GLN  12           H        GLN  12   2.568  -2.637  -2.050
   93    HA   GLN  12           HA       GLN  12   4.311  -3.549  -4.177
   94   1HB   GLN  12          1HB       GLN  12   1.652  -2.095  -4.108
   95   2HB   GLN  12          2HB       GLN  12   2.625  -2.087  -5.565
   96   1HG   GLN  12          1HG       GLN  12   1.847  -4.654  -4.108
   97   2HG   GLN  12          2HG       GLN  12   0.882  -3.963  -5.398
   98   1HE2  GLN  12          1HE2      GLN  12   1.991  -6.495  -5.518
   99   2HE2  GLN  12          2HE2      GLN  12   3.195  -6.565  -6.761
  100   1HN   AIB  13          H         AIB  13   3.910  -0.971  -1.917
  101   1HB1  AIB  13          1HB1      AIB  13   4.605   2.202  -1.265
  102   2HB1  AIB  13          2HB1      AIB  13   4.153   0.576  -0.702
  103   3HB1  AIB  13          3HB1      AIB  13   5.867   1.057  -0.752
  104   1HB2  AIB  13          1HB2      AIB  13   4.292   1.241  -4.616
  105   2HB2  AIB  13          2HB2      AIB  13   3.192   1.628  -3.271
  106   3HB2  AIB  13          3HB2      AIB  13   4.673   2.585  -3.514
  107    HA   HYP  14           HA       HYP  14   9.074   0.704  -2.575
  108   1HB   HYP  14          1HB       HYP  14  10.021  -1.816  -1.817
  109   2HB   HYP  14          2HB       HYP  14   9.597  -0.554  -0.678
  110   1HD   HYP  14          1HD       HYP  14   6.198  -2.129  -2.186
  111   2HD   HYP  14          2HD       HYP  14   6.096  -1.007  -0.843
  112    HOD  HYP  14           HOD      HYP  14   7.834  -0.792   0.644
  113    HG   HYP  14           HG       HYP  14   8.125  -3.052  -1.266
  114   1HN   AIB  15          H         AIB  15   7.286  -1.786  -4.282
  115   1HB1  AIB  15          1HB1      AIB  15   6.539  -2.842  -5.780
  116   2HB1  AIB  15          2HB1      AIB  15   7.444  -3.152  -7.281
  117   3HB1  AIB  15          3HB1      AIB  15   7.455  -4.357  -5.971
  118   1HB2  AIB  15          1HB2      AIB  15   8.989  -4.209  -4.174
  119   2HB2  AIB  15          2HB2      AIB  15   9.805  -4.447  -5.739
  120   3HB2  AIB  15          3HB2      AIB  15  10.450  -3.273  -4.568
  121    HA   PRO  16           HA       PRO  16   9.610  -1.018  -9.160
  122   1HB   PRO  16          1HB       PRO  16   8.497   1.455  -9.493
  123   2HB   PRO  16          2HB       PRO  16   7.662  -0.033  -9.892
  124   1HG   PRO  16          1HG       PRO  16   7.252   1.759  -7.577
  125   2HG   PRO  16          2HG       PRO  16   6.179   0.530  -8.218
  126   1HD   PRO  16          1HD       PRO  16   7.817   0.322  -5.874
  127   2HD   PRO  16          2HD       PRO  16   6.833  -0.943  -6.580
  128    H1   PHL  17           1H       PHL  17  13.290  -0.175  -6.534
  129    H2   PHL  17           2H       PHL  17  12.611   0.307  -4.954
  130    HO   PHL  17           HO       PHL  17  15.003   0.748  -5.521
  131    HA   PHL  17           HA       PHL  17  12.445   1.954  -7.511
  132   2HN   PHL  17          H         PHL  17  10.290   0.424  -6.235
  133   1HB   PHL  17          2HB       PHL  17  11.054   2.142  -4.771
  134   2HB   PHL  17          3HB       PHL  17  12.378   3.182  -5.260
  135    HD1  PHL  17           1HD      PHL  17   8.826   2.572  -5.484
  136    HD2  PHL  17           2HD      PHL  17  12.036   4.816  -7.117
  137    HE1  PHL  17           1HE      PHL  17   7.186   4.183  -6.492
  138    HE2  PHL  17           2HE      PHL  17  10.397   6.427  -8.125
  139    HZ   PHL  17           HZ       PHL  17   7.992   6.092  -7.801
  Start of MODEL   19
    1   1H    ACE   1          1H        ACE   1 -11.098   1.961   5.358
    2   2H    ACE   1          2H        ACE   1 -11.693   3.343   4.406
    3   3H    ACE   1          3H        ACE   1 -11.504   1.748   3.639
    4    H    TRP   2           H        TRP   2  -9.601   4.214   5.477
    5    HA   TRP   2           HA       TRP   2  -7.703   4.399   3.391
    6   1HB   TRP   2          1HB       TRP   2  -6.580   5.947   4.777
    7   2HB   TRP   2          2HB       TRP   2  -8.300   6.219   4.973
    8    HD1  TRP   2           HD       TRP   2  -9.349   5.678   7.422
    9    HE1  TRP   2           1HE      TRP   2  -8.348   5.312   9.836
   10    HE3  TRP   2           3HE      TRP   2  -4.557   4.928   5.894
   11    HZ2  TRP   2           2HZ      TRP   2  -5.724   4.761  10.813
   12    HZ3  TRP   2           3HZ      TRP   2  -2.836   4.483   7.642
   13    HH2  TRP   2           HH       TRP   2  -3.355   4.393  10.029
   14    H    ILE   3           H        ILE   3  -8.113   2.425   6.322
   15    HA   ILE   3           HA       ILE   3  -5.355   1.671   6.432
   16    HB   ILE   3           HB       ILE   3  -7.476   1.730   8.194
   17   1HG1  ILE   3          1HG1      ILE   3  -5.048   2.022   8.647
   18   2HG1  ILE   3          2HG1      ILE   3  -5.875   1.027   9.828
   19   1HG2  ILE   3          1HG2      ILE   3  -6.795  -1.162   7.598
   20   2HG2  ILE   3          2HG2      ILE   3  -7.718  -0.583   9.005
   21   3HG2  ILE   3          3HG2      ILE   3  -8.370  -0.369   7.364
   22   1HD1  ILE   3          1HD1      ILE   3  -3.650   0.089   9.086
   23   2HD1  ILE   3          2HD1      ILE   3  -5.014  -1.022   8.815
   24   3HD1  ILE   3          3HD1      ILE   3  -4.329  -0.104   7.452
   25    H    GLN   4           H        GLN   4  -8.317   0.539   4.864
   26    HA   GLN   4           HA       GLN   4  -7.207  -1.954   4.129
   27   1HB   GLN   4          1HB       GLN   4  -9.621  -0.332   3.390
   28   2HB   GLN   4          2HB       GLN   4  -9.110  -1.554   2.243
   29   1HG   GLN   4          1HG       GLN   4  -9.245  -3.309   3.951
   30   2HG   GLN   4          2HG       GLN   4  -9.535  -2.127   5.212
   31   1HE2  GLN   4          1HE2      GLN   4 -11.369  -3.711   5.455
   32   2HE2  GLN   4          2HE2      GLN   4 -12.855  -3.354   4.641
   33   1HN   DIV   5          H         DIV   5  -7.700   1.213   2.408
   34   1HB1  DIV   5          2HB1      DIV   5  -6.382  -0.523  -0.279
   35   2HB1  DIV   5          3HB1      DIV   5  -5.879   0.962  -1.119
   36   1HG1  DIV   5          1HG1      DIV   5  -8.229   0.180  -1.600
   37   2HG1  DIV   5          2HG1      DIV   5  -8.635   0.588   0.084
   38   3HG1  DIV   5          3HG1      DIV   5  -8.091   1.861  -1.034
   39   1HB2  DIV   5          1HB2      DIV   5  -7.512   2.867   0.937
   40   2HB2  DIV   5          2HB2      DIV   5  -6.017   3.165   1.855
   41   3HB2  DIV   5          3HB2      DIV   5  -5.975   3.126   0.075
   42    H    ILE   6           H        ILE   6  -4.839   1.528   3.214
   43    HA   ILE   6           HA       ILE   6  -2.325   1.879   1.917
   44    HB   ILE   6           HB       ILE   6  -3.270   3.045   3.998
   45   1HG1  ILE   6          1HG1      ILE   6  -0.422   2.012   4.095
   46   2HG1  ILE   6          2HG1      ILE   6  -0.972   3.295   3.036
   47   1HG2  ILE   6          1HG2      ILE   6  -2.009   0.712   5.444
   48   2HG2  ILE   6          2HG2      ILE   6  -2.936   2.073   6.119
   49   3HG2  ILE   6          3HG2      ILE   6  -3.760   0.830   5.147
   50   1HD1  ILE   6          1HD1      ILE   6  -0.983   3.295   6.085
   51   2HD1  ILE   6          2HD1      ILE   6  -0.039   4.348   5.002
   52   3HD1  ILE   6          3HD1      ILE   6  -1.806   4.535   5.107
   53    H    THR   7           H        THR   7  -4.035  -0.744   3.615
   54    HA   THR   7           HA       THR   7  -1.754  -2.405   3.920
   55    HB   THR   7           HB       THR   7  -4.778  -2.872   3.899
   56    HG1  THR   7           1HG      THR   7  -4.363  -2.086   5.923
   57   1HG2  THR   7          1HG2      THR   7  -4.220  -5.001   5.106
   58   2HG2  THR   7          2HG2      THR   7  -3.633  -5.035   3.426
   59   3HG2  THR   7          3HG2      THR   7  -2.495  -4.728   4.760
   60   1HN   AIB   8          H         AIB   8  -4.266  -2.052   1.364
   61   1HB1  AIB   8          1HB1      AIB   8  -4.719  -1.629  -1.084
   62   2HB1  AIB   8          2HB1      AIB   8  -4.745  -3.204  -1.914
   63   3HB1  AIB   8          3HB1      AIB   8  -5.568  -3.010  -0.347
   64   1HB2  AIB   8          1HB2      AIB   8  -4.027  -5.031   0.547
   65   2HB2  AIB   8          2HB2      AIB   8  -3.637  -5.022  -1.190
   66   3HB2  AIB   8          3HB2      AIB   8  -2.330  -4.954   0.017
   67    H    LEU   9           H        LEU   9  -2.321  -0.777   0.033
   68    HA   LEU   9           HA       LEU   9  -0.869  -1.029  -2.465
   69   1HB   LEU   9          1HB       LEU   9  -1.389   1.289  -0.602
   70   2HB   LEU   9          2HB       LEU   9  -0.391   1.398  -2.037
   71    HG   LEU   9           HG       LEU   9  -3.280   0.511  -2.133
   72   1HD1  LEU   9          1HD1      LEU   9  -3.220   2.726  -1.124
   73   2HD1  LEU   9          2HD1      LEU   9  -2.194   3.323  -2.452
   74   3HD1  LEU   9          3HD1      LEU   9  -3.865   2.804  -2.781
   75   1HD2  LEU   9          1HD2      LEU   9  -2.083  -0.136  -4.091
   76   2HD2  LEU   9          2HD2      LEU   9  -3.065   1.289  -4.510
   77   3HD2  LEU   9          3HD2      LEU   9  -1.317   1.466  -4.229
   78   1HN   AIB  10          H         AIB  10  -0.390  -1.504   0.925
   79   1HB1  AIB  10          1HB1      AIB  10   1.506  -1.419   3.387
   80   2HB1  AIB  10          2HB1      AIB  10   0.322  -2.427   2.521
   81   3HB1  AIB  10          3HB1      AIB  10   2.023  -2.942   2.623
   82   1HB2  AIB  10          1HB2      AIB  10   2.998   0.025   2.250
   83   2HB2  AIB  10          2HB2      AIB  10   2.340   0.647   0.716
   84   3HB2  AIB  10          3HB2      AIB  10   1.310   0.583   2.167
   85    HA   HYP  11           HA       HYP  11   4.440  -4.077   0.073
   86   1HB   HYP  11          1HB       HYP  11   3.179  -6.055  -1.450
   87   2HB   HYP  11          2HB       HYP  11   3.325  -6.117   0.295
   88   1HD   HYP  11          1HD       HYP  11   0.514  -3.383  -0.671
   89   2HD   HYP  11          2HD       HYP  11   0.716  -3.843   1.008
   90    HOD  HYP  11           HOD      HYP  11   1.069  -7.142   0.506
   91    HG   HYP  11           HG       HYP  11   0.903  -5.583  -1.318
   92    H    GLN  12           H        GLN  12   2.332  -2.361  -2.000
   93    HA   GLN  12           HA       GLN  12   3.719  -3.154  -4.377
   94   1HB   GLN  12          1HB       GLN  12   1.580  -1.020  -3.953
   95   2HB   GLN  12          2HB       GLN  12   2.149  -1.590  -5.508
   96   1HG   GLN  12          1HG       GLN  12   1.410  -3.930  -4.869
   97   2HG   GLN  12          2HG       GLN  12   0.745  -3.278  -3.384
   98   1HE2  GLN  12          1HE2      GLN  12  -1.363  -3.593  -3.698
   99   2HE2  GLN  12          2HE2      GLN  12  -2.317  -2.893  -4.962
  100   1HN   AIB  13          H         AIB  13   3.754  -0.524  -1.984
  101   1HB1  AIB  13          1HB1      AIB  13   3.963   1.148  -0.933
  102   2HB1  AIB  13          2HB1      AIB  13   5.699   1.538  -0.924
  103   3HB1  AIB  13          3HB1      AIB  13   4.533   2.689  -1.619
  104   1HB2  AIB  13          1HB2      AIB  13   3.192   1.964  -3.645
  105   2HB2  AIB  13          2HB2      AIB  13   4.721   2.846  -3.881
  106   3HB2  AIB  13          3HB2      AIB  13   4.354   1.417  -4.876
  107    HA   HYP  14           HA       HYP  14   8.977   0.895  -2.499
  108   1HB   HYP  14          1HB       HYP  14   9.771  -1.578  -1.459
  109   2HB   HYP  14          2HB       HYP  14   9.330  -0.202  -0.468
  110   1HD   HYP  14          1HD       HYP  14   5.968  -1.786  -2.048
  111   2HD   HYP  14          2HD       HYP  14   5.829  -0.545  -0.819
  112    HOD  HYP  14           HOD      HYP  14   6.735  -1.721   1.029
  113    HG   HYP  14           HG       HYP  14   7.795  -2.690  -0.927
  114   1HN   AIB  15          H         AIB  15   7.124  -1.422  -4.246
  115   1HB1  AIB  15          1HB1      AIB  15   7.449  -4.109  -6.396
  116   2HB1  AIB  15          2HB1      AIB  15   6.447  -3.211  -5.231
  117   3HB1  AIB  15          3HB1      AIB  15   6.889  -2.466  -6.787
  118   1HB2  AIB  15          1HB2      AIB  15   9.456  -4.465  -5.313
  119   2HB2  AIB  15          2HB2      AIB  15  10.111  -3.292  -4.145
  120   3HB2  AIB  15          3HB2      AIB  15   8.541  -4.074  -3.838
  121    HA   PRO  16           HA       PRO  16   9.545  -1.386  -8.995
  122   1HB   PRO  16          1HB       PRO  16   8.915   1.219  -9.524
  123   2HB   PRO  16          2HB       PRO  16   7.777  -0.099  -9.716
  124   1HG   PRO  16          1HG       PRO  16   7.904   1.944  -7.583
  125   2HG   PRO  16          2HG       PRO  16   6.566   0.905  -8.028
  126   1HD   PRO  16          1HD       PRO  16   8.307   0.588  -5.772
  127   2HD   PRO  16          2HD       PRO  16   7.044  -0.513  -6.283
  128    H1   PHL  17           1H       PHL  17  13.710  -0.714  -7.158
  129    H2   PHL  17           2H       PHL  17  13.214  -0.408  -5.470
  130    HO   PHL  17           HO       PHL  17  15.242   0.953  -7.004
  131    HA   PHL  17           HA       PHL  17  12.827   1.472  -7.836
  132   2HN   PHL  17          H         PHL  17  10.689   0.224  -6.291
  133   1HB   PHL  17          2HB       PHL  17  12.088   1.597  -4.853
  134   2HB   PHL  17          3HB       PHL  17  13.189   2.684  -5.676
  135    HD1  PHL  17           1HD      PHL  17   9.923   2.310  -4.502
  136    HD2  PHL  17           2HD      PHL  17  12.107   3.964  -7.743
  137    HE1  PHL  17           1HE      PHL  17   8.019   3.874  -4.988
  138    HE2  PHL  17           2HE      PHL  17  10.203   5.527  -8.229
  139    HZ   PHL  17           HZ       PHL  17   8.183   5.463  -6.846
  Start of MODEL   20
    1   1H    ACE   1          1H        ACE   1 -11.055   1.449   5.542
    2   2H    ACE   1          2H        ACE   1 -11.916   2.729   4.655
    3   3H    ACE   1          3H        ACE   1 -11.392   1.256   3.805
    4    H    TRP   2           H        TRP   2 -10.038   3.920   5.846
    5    HA   TRP   2           HA       TRP   2  -8.213   4.701   3.870
    6   1HB   TRP   2          1HB       TRP   2  -7.211   6.056   5.627
    7   2HB   TRP   2          2HB       TRP   2  -8.956   6.212   5.589
    8    HD1  TRP   2           HD       TRP   2 -10.320   5.140   7.718
    9    HE1  TRP   2           1HE      TRP   2  -9.656   4.523  10.197
   10    HE3  TRP   2           3HE      TRP   2  -5.296   5.165   6.936
   11    HZ2  TRP   2           2HZ      TRP   2  -7.161   4.123  11.522
   12    HZ3  TRP   2           3HZ      TRP   2  -3.816   4.650   8.875
   13    HH2  TRP   2           HH       TRP   2  -4.673   4.142  11.107
   14    H    ILE   3           H        ILE   3  -8.070   2.443   6.676
   15    HA   ILE   3           HA       ILE   3  -5.250   2.071   6.410
   16    HB   ILE   3           HB       ILE   3  -6.370   1.981   8.562
   17   1HG1  ILE   3          1HG1      ILE   3  -5.435  -0.260   9.321
   18   2HG1  ILE   3          2HG1      ILE   3  -5.037  -0.575   7.644
   19   1HG2  ILE   3          1HG2      ILE   3  -8.511   1.142   8.176
   20   2HG2  ILE   3          2HG2      ILE   3  -7.903  -0.286   7.302
   21   3HG2  ILE   3          3HG2      ILE   3  -7.695  -0.167   9.066
   22   1HD1  ILE   3          1HD1      ILE   3  -3.126   0.425   8.930
   23   2HD1  ILE   3          2HD1      ILE   3  -3.618   1.426   7.543
   24   3HD1  ILE   3          3HD1      ILE   3  -4.106   1.888   9.191
   25    H    GLN   4           H        GLN   4  -8.197   0.626   5.099
   26    HA   GLN   4           HA       GLN   4  -6.987  -1.802   4.365
   27   1HB   GLN   4          1HB       GLN   4  -9.545  -0.363   3.642
   28   2HB   GLN   4          2HB       GLN   4  -9.065  -1.765   2.709
   29   1HG   GLN   4          1HG       GLN   4  -9.101  -3.202   4.646
   30   2HG   GLN   4          2HG       GLN   4  -9.156  -1.843   5.751
   31   1HE2  GLN   4          1HE2      GLN   4 -10.918  -4.137   4.064
   32   2HE2  GLN   4          2HE2      GLN   4 -12.522  -3.518   4.278
   33   1HN   DIV   5          H         DIV   5  -7.880   1.191   2.488
   34   1HB1  DIV   5          2HB1      DIV   5  -6.557  -0.529  -0.203
   35   2HB1  DIV   5          3HB1      DIV   5  -6.220   0.968  -1.102
   36   1HG1  DIV   5          1HG1      DIV   5  -8.530  -0.013  -1.414
   37   2HG1  DIV   5          2HG1      DIV   5  -8.864   0.433   0.274
   38   3HG1  DIV   5          3HG1      DIV   5  -8.482   1.695  -0.921
   39   1HB2  DIV   5          1HB2      DIV   5  -6.330   3.152   0.061
   40   2HB2  DIV   5          2HB2      DIV   5  -7.846   2.818   0.929
   41   3HB2  DIV   5          3HB2      DIV   5  -6.372   3.225   1.841
   42    H    ILE   6           H        ILE   6  -4.987   1.815   3.123
   43    HA   ILE   6           HA       ILE   6  -2.499   2.074   1.843
   44    HB   ILE   6           HB       ILE   6  -3.500   2.026   4.651
   45   1HG1  ILE   6          1HG1      ILE   6  -1.690   4.064   3.379
   46   2HG1  ILE   6          2HG1      ILE   6  -3.395   4.033   2.976
   47   1HG2  ILE   6          1HG2      ILE   6  -1.553   0.726   4.973
   48   2HG2  ILE   6          2HG2      ILE   6  -0.607   1.718   3.837
   49   3HG2  ILE   6          3HG2      ILE   6  -1.110   2.394   5.405
   50   1HD1  ILE   6          1HD1      ILE   6  -2.435   5.433   5.076
   51   2HD1  ILE   6          2HD1      ILE   6  -4.061   4.708   5.087
   52   3HD1  ILE   6          3HD1      ILE   6  -2.709   3.875   5.893
   53    H    THR   7           H        THR   7  -3.923  -0.539   3.921
   54    HA   THR   7           HA       THR   7  -1.665  -2.142   3.982
   55    HB   THR   7           HB       THR   7  -4.655  -2.798   4.101
   56    HG1  THR   7           1HG      THR   7  -4.106  -2.565   6.395
   57   1HG2  THR   7          1HG2      THR   7  -3.249  -4.870   3.776
   58   2HG2  THR   7          2HG2      THR   7  -2.240  -4.365   5.152
   59   3HG2  THR   7          3HG2      THR   7  -3.951  -4.783   5.410
   60   1HN   AIB   8          H         AIB   8  -4.305  -1.976   1.542
   61   1HB1  AIB   8          1HB1      AIB   8  -4.976  -3.369  -1.604
   62   2HB1  AIB   8          2HB1      AIB   8  -5.709  -3.060  -0.012
   63   3HB1  AIB   8          3HB1      AIB   8  -4.903  -1.739  -0.891
   64   1HB2  AIB   8          1HB2      AIB   8  -2.482  -4.992   0.375
   65   2HB2  AIB   8          2HB2      AIB   8  -4.171  -5.006   0.937
   66   3HB2  AIB   8          3HB2      AIB   8  -3.809  -5.147  -0.800
   67    H    LEU   9           H        LEU   9  -2.416  -0.836  -0.016
   68    HA   LEU   9           HA       LEU   9  -1.108  -1.336  -2.559
   69   1HB   LEU   9          1HB       LEU   9  -1.516   1.153  -0.899
   70   2HB   LEU   9          2HB       LEU   9  -0.593   1.115  -2.389
   71    HG   LEU   9           HG       LEU   9  -3.480   0.228  -2.275
   72   1HD1  LEU   9          1HD1      LEU   9  -3.499   2.474  -1.433
   73   2HD1  LEU   9          2HD1      LEU   9  -2.405   3.023  -2.725
   74   3HD1  LEU   9          3HD1      LEU   9  -4.060   2.501  -3.122
   75   1HD2  LEU   9          1HD2      LEU   9  -3.428   0.734  -4.683
   76   2HD2  LEU   9          2HD2      LEU   9  -1.704   1.156  -4.548
   77   3HD2  LEU   9          3HD2      LEU   9  -2.240  -0.511  -4.228
   78   1HN   AIB  10          H         AIB  10  -0.452  -1.676   0.775
   79   1HB1  AIB  10          1HB1      AIB  10   1.672  -3.113   2.316
   80   2HB1  AIB  10          2HB1      AIB  10   1.925  -1.557   3.141
   81   3HB1  AIB  10          3HB1      AIB  10   0.292  -2.028   2.611
   82   1HB2  AIB  10          1HB2      AIB  10   1.256   0.550   1.874
   83   2HB2  AIB  10          2HB2      AIB  10   2.965   0.048   1.846
   84   3HB2  AIB  10          3HB2      AIB  10   2.164   0.569   0.343
   85    HA   HYP  11           HA       HYP  11   4.332  -4.224   0.049
   86   1HB   HYP  11          1HB       HYP  11   3.104  -6.246  -1.446
   87   2HB   HYP  11          2HB       HYP  11   3.152  -6.224   0.305
   88   1HD   HYP  11          1HD       HYP  11   0.472  -3.475  -0.948
   89   2HD   HYP  11          2HD       HYP  11   0.569  -3.856   0.760
   90    HOD  HYP  11           HOD      HYP  11  -0.110  -6.539   0.445
   91    HG   HYP  11           HG       HYP  11   0.836  -5.713  -1.464
   92    H    GLN  12           H        GLN  12   2.392  -2.556  -2.218
   93    HA   GLN  12           HA       GLN  12   3.930  -3.514  -4.455
   94   1HB   GLN  12          1HB       GLN  12   1.599  -1.561  -4.250
   95   2HB   GLN  12          2HB       GLN  12   2.377  -1.981  -5.762
   96   1HG   GLN  12          1HG       GLN  12   1.805  -4.371  -5.432
   97   2HG   GLN  12          2HG       GLN  12   1.106  -4.012  -3.865
   98   1HE2  GLN  12          1HE2      GLN  12   0.783  -3.728  -7.318
   99   2HE2  GLN  12          2HE2      GLN  12  -0.882  -3.255  -7.381
  100   1HN   AIB  13          H         AIB  13   3.810  -0.816  -2.195
  101   1HB1  AIB  13          1HB1      AIB  13   5.697   1.141  -1.096
  102   2HB1  AIB  13          2HB1      AIB  13   4.703   2.427  -1.821
  103   3HB1  AIB  13          3HB1      AIB  13   3.928   0.953  -1.193
  104   1HB2  AIB  13          1HB2      AIB  13   4.330   1.127  -5.079
  105   2HB2  AIB  13          2HB2      AIB  13   3.193   1.668  -3.820
  106   3HB2  AIB  13          3HB2      AIB  13   4.707   2.562  -4.098
  107    HA   HYP  14           HA       HYP  14   8.970   0.808  -2.650
  108   1HB   HYP  14          1HB       HYP  14   9.900  -1.632  -1.647
  109   2HB   HYP  14          2HB       HYP  14   9.330  -0.319  -0.636
  110   1HD   HYP  14          1HD       HYP  14   6.144  -2.088  -2.377
  111   2HD   HYP  14          2HD       HYP  14   5.877  -0.895  -1.122
  112    HOD  HYP  14           HOD      HYP  14   7.835  -2.303   0.963
  113    HG   HYP  14           HG       HYP  14   7.990  -2.893  -1.214
  114   1HN   AIB  15          H         AIB  15   7.394  -1.738  -4.433
  115   1HB1  AIB  15          1HB1      AIB  15   7.726  -4.404  -5.962
  116   2HB1  AIB  15          2HB1      AIB  15   6.812  -2.876  -5.940
  117   3HB1  AIB  15          3HB1      AIB  15   7.881  -3.253  -7.313
  118   1HB2  AIB  15          1HB2      AIB  15   9.021  -4.186  -3.999
  119   2HB2  AIB  15          2HB2      AIB  15  10.026  -4.505  -5.434
  120   3HB2  AIB  15          3HB2      AIB  15  10.535  -3.285  -4.242
  121    HA   PRO  16           HA       PRO  16  10.252  -1.322  -9.045
  122   1HB   PRO  16          1HB       PRO  16   9.264   1.151  -9.658
  123   2HB   PRO  16          2HB       PRO  16   8.417  -0.337 -10.026
  124   1HG   PRO  16          1HG       PRO  16   7.861   1.634  -7.894
  125   2HG   PRO  16          2HG       PRO  16   6.807   0.392  -8.545
  126   1HD   PRO  16          1HD       PRO  16   8.215   0.313  -6.047
  127   2HD   PRO  16          2HD       PRO  16   7.256  -0.973  -6.750
  128    H1   PHL  17           1H       PHL  17  13.834  -0.102  -6.534
  129    H2   PHL  17           2H       PHL  17  13.099   0.195  -4.933
  130    HO   PHL  17           HO       PHL  17  15.153   1.703  -6.274
  131    HA   PHL  17           HA       PHL  17  12.806   1.988  -7.380
  132   2HN   PHL  17          H         PHL  17  10.656   0.407  -6.198
  133   1HB   PHL  17          2HB       PHL  17  11.529   1.935  -4.579
  134   2HB   PHL  17          3HB       PHL  17  12.643   3.160  -5.150
  135    HD1  PHL  17           1HD      PHL  17  11.882   4.488  -7.272
  136    HD2  PHL  17           2HD      PHL  17   9.246   2.297  -4.770
  137    HE1  PHL  17           1HE      PHL  17   9.950   5.853  -8.112
  138    HE2  PHL  17           2HE      PHL  17   7.314   3.661  -5.610
  139    HZ   PHL  17           HZ       PHL  17   7.690   5.423  -7.271
  Start of MODEL   21
    1   1H    ACE   1          1H        ACE   1 -11.785   3.062   4.679
    2   2H    ACE   1          2H        ACE   1 -11.583   1.717   3.531
    3   3H    ACE   1          3H        ACE   1 -11.104   1.514   5.233
    4    H    TRP   2           H        TRP   2  -9.881   4.116   5.567
    5    HA   TRP   2           HA       TRP   2  -7.899   4.553   3.647
    6   1HB   TRP   2          1HB       TRP   2  -8.631   6.114   5.459
    7   2HB   TRP   2          2HB       TRP   2  -7.763   5.119   6.612
    8    HD1  TRP   2           HD       TRP   2  -7.006   7.355   3.519
    9    HE1  TRP   2           1HE      TRP   2  -4.541   8.293   3.626
   10    HE3  TRP   2           3HE      TRP   2  -5.622   4.724   7.645
   11    HZ2  TRP   2           2HZ      TRP   2  -2.340   7.840   5.385
   12    HZ3  TRP   2           3HZ      TRP   2  -3.298   5.029   8.492
   13    HH2  TRP   2           HH       TRP   2  -1.679   6.523   7.432
   14    H    ILE   3           H        ILE   3  -8.099   2.470   6.591
   15    HA   ILE   3           HA       ILE   3  -5.412   1.707   6.592
   16    HB   ILE   3           HB       ILE   3  -7.005   1.530   8.477
   17   1HG1  ILE   3          1HG1      ILE   3  -6.148  -0.666   9.299
   18   2HG1  ILE   3          2HG1      ILE   3  -5.528  -1.000   7.694
   19   1HG2  ILE   3          1HG2      ILE   3  -8.057  -0.926   7.049
   20   2HG2  ILE   3          2HG2      ILE   3  -8.557  -0.303   8.640
   21   3HG2  ILE   3          3HG2      ILE   3  -8.914   0.630   7.166
   22   1HD1  ILE   3          1HD1      ILE   3  -3.935   0.088   9.480
   23   2HD1  ILE   3          2HD1      ILE   3  -3.902   0.704   7.811
   24   3HD1  ILE   3          3HD1      ILE   3  -4.789   1.595   9.071
   25    H    GLN   4           H        GLN   4  -8.274   0.551   4.802
   26    HA   GLN   4           HA       GLN   4  -7.044  -1.838   3.972
   27   1HB   GLN   4          1HB       GLN   4  -9.505  -0.287   3.135
   28   2HB   GLN   4          2HB       GLN   4  -8.976  -1.655   2.176
   29   1HG   GLN   4          1HG       GLN   4  -9.187  -3.177   4.050
   30   2HG   GLN   4          2HG       GLN   4  -9.367  -1.860   5.191
   31   1HE2  GLN   4          1HE2      GLN   4 -10.999  -4.229   3.826
   32   2HE2  GLN   4          2HE2      GLN   4 -12.592  -3.568   3.680
   33   1HN   DIV   5          H         DIV   5  -7.672   1.356   2.355
   34   1HB1  DIV   5          2HB1      DIV   5  -6.300  -0.244  -0.413
   35   2HB1  DIV   5          3HB1      DIV   5  -5.900   1.299  -1.203
   36   1HG1  DIV   5          1HG1      DIV   5  -8.150   2.057  -1.073
   37   2HG1  DIV   5          2HG1      DIV   5  -8.219   0.376  -1.652
   38   3HG1  DIV   5          3HG1      DIV   5  -8.604   0.750   0.045
   39   1HB2  DIV   5          1HB2      DIV   5  -7.559   3.058   0.908
   40   2HB2  DIV   5          2HB2      DIV   5  -6.087   3.373   1.858
   41   3HB2  DIV   5          3HB2      DIV   5  -6.021   3.403   0.079
   42    H    ILE   6           H        ILE   6  -4.820   1.825   3.120
   43    HA   ILE   6           HA       ILE   6  -2.277   2.089   1.909
   44    HB   ILE   6           HB       ILE   6  -3.463   2.260   4.591
   45   1HG1  ILE   6          1HG1      ILE   6  -1.846   4.184   4.704
   46   2HG1  ILE   6          2HG1      ILE   6  -1.320   3.781   3.081
   47   1HG2  ILE   6          1HG2      ILE   6  -0.592   1.371   4.229
   48   2HG2  ILE   6          2HG2      ILE   6  -1.225   2.130   5.710
   49   3HG2  ILE   6          3HG2      ILE   6  -1.879   0.568   5.162
   50   1HD1  ILE   6          1HD1      ILE   6  -4.185   4.467   3.887
   51   2HD1  ILE   6          2HD1      ILE   6  -3.056   5.545   3.031
   52   3HD1  ILE   6          3HD1      ILE   6  -3.647   4.065   2.239
   53    H    THR   7           H        THR   7  -3.980  -0.535   3.707
   54    HA   THR   7           HA       THR   7  -1.759  -2.217   3.949
   55    HB   THR   7           HB       THR   7  -4.785  -2.664   3.896
   56    HG1  THR   7           1HG      THR   7  -3.882  -1.438   5.674
   57   1HG2  THR   7          1HG2      THR   7  -4.276  -4.811   5.078
   58   2HG2  THR   7          2HG2      THR   7  -3.648  -4.838   3.412
   59   3HG2  THR   7          3HG2      THR   7  -2.540  -4.557   4.776
   60   1HN   AIB   8          H         AIB   8  -4.202  -1.864   1.332
   61   1HB1  AIB   8          1HB1      AIB   8  -5.524  -2.945  -0.354
   62   2HB1  AIB   8          2HB1      AIB   8  -4.688  -1.551  -1.078
   63   3HB1  AIB   8          3HB1      AIB   8  -4.677  -3.125  -1.909
   64   1HB2  AIB   8          1HB2      AIB   8  -3.637  -4.960  -1.079
   65   2HB2  AIB   8          2HB2      AIB   8  -2.298  -4.856   0.090
   66   3HB2  AIB   8          3HB2      AIB   8  -3.982  -4.893   0.665
   67    H    LEU   9           H        LEU   9  -2.200  -0.715   0.027
   68    HA   LEU   9           HA       LEU   9  -0.753  -1.025  -2.463
   69   1HB   LEU   9          1HB       LEU   9  -1.170   1.286  -0.569
   70   2HB   LEU   9          2HB       LEU   9  -0.120   1.368  -1.970
   71    HG   LEU   9           HG       LEU   9  -3.068   0.695  -2.130
   72   1HD1  LEU   9          1HD1      LEU   9  -3.444   3.001  -2.839
   73   2HD1  LEU   9          2HD1      LEU   9  -2.779   2.937  -1.189
   74   3HD1  LEU   9          3HD1      LEU   9  -1.727   3.381  -2.555
   75   1HD2  LEU   9          1HD2      LEU   9  -2.665   1.478  -4.539
   76   2HD2  LEU   9          2HD2      LEU   9  -0.935   1.265  -4.182
   77   3HD2  LEU   9          3HD2      LEU   9  -2.044  -0.122  -4.068
   78   1HN   AIB  10          H         AIB  10  -0.295  -1.610   0.907
   79   1HB1  AIB  10          1HB1      AIB  10   1.805  -3.208   2.528
   80   2HB1  AIB  10          2HB1      AIB  10   1.854  -1.653   3.392
   81   3HB1  AIB  10          3HB1      AIB  10   0.328  -2.225   2.677
   82   1HB2  AIB  10          1HB2      AIB  10   3.167  -0.155   2.196
   83   2HB2  AIB  10          2HB2      AIB  10   2.463   0.480   0.690
   84   3HB2  AIB  10          3HB2      AIB  10   1.493   0.447   2.182
   85    HA   HYP  11           HA       HYP  11   4.399  -4.381   0.178
   86   1HB   HYP  11          1HB       HYP  11   3.086  -6.281  -1.400
   87   2HB   HYP  11          2HB       HYP  11   3.151  -6.348   0.350
   88   1HD   HYP  11          1HD       HYP  11   0.560  -3.447  -0.738
   89   2HD   HYP  11          2HD       HYP  11   0.659  -3.914   0.949
   90    HOD  HYP  11           HOD      HYP  11   1.306  -6.030   1.548
   91    HG   HYP  11           HG       HYP  11   0.839  -5.669  -1.367
   92    H    GLN  12           H        GLN  12   2.502  -2.533  -1.984
   93    HA   GLN  12           HA       GLN  12   3.983  -3.471  -4.278
   94   1HB   GLN  12          1HB       GLN  12   1.681  -1.483  -4.042
   95   2HB   GLN  12          2HB       GLN  12   2.399  -1.995  -5.556
   96   1HG   GLN  12          1HG       GLN  12   1.886  -4.446  -4.512
   97   2HG   GLN  12          2HG       GLN  12   0.650  -3.542  -3.660
   98   1HE2  GLN  12          1HE2      GLN  12   0.463  -5.580  -5.760
   99   2HE2  GLN  12          2HE2      GLN  12  -0.456  -4.894  -7.057
  100   1HN   AIB  13          H         AIB  13   3.952  -0.877  -1.928
  101   1HB1  AIB  13          1HB1      AIB  13   4.869   2.274  -1.376
  102   2HB1  AIB  13          2HB1      AIB  13   4.276   0.709  -0.770
  103   3HB1  AIB  13          3HB1      AIB  13   6.025   1.034  -0.830
  104   1HB2  AIB  13          1HB2      AIB  13   4.430   1.234  -4.693
  105   2HB2  AIB  13          2HB2      AIB  13   3.376   1.733  -3.348
  106   3HB2  AIB  13          3HB2      AIB  13   4.913   2.583  -3.637
  107    HA   HYP  14           HA       HYP  14   9.178   0.525  -2.594
  108   1HB   HYP  14          1HB       HYP  14  10.017  -2.014  -1.774
  109   2HB   HYP  14          2HB       HYP  14   9.611  -0.719  -0.666
  110   1HD   HYP  14          1HD       HYP  14   6.196  -2.200  -2.230
  111   2HD   HYP  14          2HD       HYP  14   6.101  -1.054  -0.908
  112    HOD  HYP  14           HOD      HYP  14   7.822  -0.873   0.618
  113    HG   HYP  14           HG       HYP  14   8.066  -3.174  -1.250
  114   1HN   AIB  15          H         AIB  15   7.331  -1.894  -4.324
  115   1HB1  AIB  15          1HB1      AIB  15   7.494  -4.556  -5.944
  116   2HB1  AIB  15          2HB1      AIB  15   6.574  -3.050  -5.716
  117   3HB1  AIB  15          3HB1      AIB  15   7.444  -3.339  -7.243
  118   1HB2  AIB  15          1HB2      AIB  15   9.014  -4.370  -4.121
  119   2HB2  AIB  15          2HB2      AIB  15   9.819  -4.661  -5.682
  120   3HB2  AIB  15          3HB2      AIB  15  10.485  -3.463  -4.546
  121    HA   PRO  16           HA       PRO  16   9.713  -1.261  -9.168
  122   1HB   PRO  16          1HB       PRO  16   8.614   1.213  -9.533
  123   2HB   PRO  16          2HB       PRO  16   7.786  -0.274  -9.949
  124   1HG   PRO  16          1HG       PRO  16   7.323   1.524  -7.649
  125   2HG   PRO  16          2HG       PRO  16   6.264   0.296  -8.313
  126   1HD   PRO  16          1HD       PRO  16   7.846   0.091  -5.928
  127   2HD   PRO  16          2HD       PRO  16   6.876  -1.175  -6.656
  128    H1   PHL  17           1H       PHL  17  11.865   1.375  -4.531
  129    H2   PHL  17           2H       PHL  17  13.452   1.699  -5.284
  130    HO   PHL  17           HO       PHL  17  11.890  -0.722  -5.408
  131    HA   PHL  17           HA       PHL  17  12.504   1.732  -7.479
  132   2HN   PHL  17          H         PHL  17  10.023   0.663  -6.332
  133   1HB   PHL  17          2HB       PHL  17  10.498   2.975  -5.501
  134   2HB   PHL  17          3HB       PHL  17  11.974   3.757  -6.033
  135    HD1  PHL  17           1HD      PHL  17  12.191   4.000  -8.668
  136    HD2  PHL  17           2HD      PHL  17   8.530   3.505  -6.581
  137    HE1  PHL  17           1HE      PHL  17  10.953   5.021 -10.598
  138    HE2  PHL  17           2HE      PHL  17   7.292   4.527  -8.511
  139    HZ   PHL  17           HZ       PHL  17   8.518   5.272 -10.497
  Start of MODEL   22
    1   1H    ACE   1          1H        ACE   1 -11.738   3.219   4.331
    2   2H    ACE   1          2H        ACE   1 -11.404   1.854   3.239
    3   3H    ACE   1          3H        ACE   1 -11.145   1.676   4.991
    4    H    TRP   2           H        TRP   2  -9.859   4.065   5.631
    5    HA   TRP   2           HA       TRP   2  -7.716   4.660   3.946
    6   1HB   TRP   2          1HB       TRP   2  -6.676   5.583   5.993
    7   2HB   TRP   2          2HB       TRP   2  -8.302   6.158   5.688
    8    HD1  TRP   2           HD       TRP   2 -10.218   5.404   7.472
    9    HE1  TRP   2           1HE      TRP   2 -10.189   4.442   9.929
   10    HE3  TRP   2           3HE      TRP   2  -5.321   4.034   7.441
   11    HZ2  TRP   2           2HZ      TRP   2  -8.167   3.243  11.548
   12    HZ3  TRP   2           3HZ      TRP   2  -4.398   2.974   9.500
   13    HH2  TRP   2           HH       TRP   2  -5.736   2.573  11.506
   14    H    ILE   3           H        ILE   3  -8.221   2.206   6.546
   15    HA   ILE   3           HA       ILE   3  -5.523   1.385   6.601
   16    HB   ILE   3           HB       ILE   3  -7.182   1.151   8.435
   17   1HG1  ILE   3          1HG1      ILE   3  -4.984  -0.280   7.966
   18   2HG1  ILE   3          2HG1      ILE   3  -6.003  -0.547   9.367
   19   1HG2  ILE   3          1HG2      ILE   3  -8.286  -1.056   6.680
   20   2HG2  ILE   3          2HG2      ILE   3  -8.675  -0.834   8.402
   21   3HG2  ILE   3          3HG2      ILE   3  -9.125   0.418   7.219
   22   1HD1  ILE   3          1HD1      ILE   3  -5.381  -2.653   8.078
   23   2HD1  ILE   3          2HD1      ILE   3  -7.129  -2.416   8.311
   24   3HD1  ILE   3          3HD1      ILE   3  -6.383  -2.045   6.738
   25    H    GLN   4           H        GLN   4  -8.372   0.514   4.654
   26    HA   GLN   4           HA       GLN   4  -7.251  -1.872   3.678
   27   1HB   GLN   4          1HB       GLN   4  -9.574  -0.105   2.878
   28   2HB   GLN   4          2HB       GLN   4  -9.082  -1.413   1.821
   29   1HG   GLN   4          1HG       GLN   4  -9.391  -3.060   3.625
   30   2HG   GLN   4          2HG       GLN   4  -9.718  -1.787   4.785
   31   1HE2  GLN   4          1HE2      GLN   4 -11.642  -3.231   5.018
   32   2HE2  GLN   4          2HE2      GLN   4 -13.045  -2.885   4.063
   33   1HN   DIV   5          H         DIV   5  -7.738   1.411   2.170
   34   1HB1  DIV   5          2HB1      DIV   5  -6.173  -0.032  -0.565
   35   2HB1  DIV   5          3HB1      DIV   5  -5.709   1.553  -1.224
   36   1HG1  DIV   5          1HG1      DIV   5  -7.993   0.717  -1.896
   37   2HG1  DIV   5          2HG1      DIV   5  -8.493   0.934  -0.202
   38   3HG1  DIV   5          3HG1      DIV   5  -7.964   2.336  -1.160
   39   1HB2  DIV   5          1HB2      DIV   5  -7.462   3.212   0.851
   40   2HB2  DIV   5          2HB2      DIV   5  -6.080   3.423   1.955
   41   3HB2  DIV   5          3HB2      DIV   5  -5.844   3.570   0.195
   42    H    ILE   6           H        ILE   6  -4.903   1.821   3.178
   43    HA   ILE   6           HA       ILE   6  -2.284   2.101   2.198
   44    HB   ILE   6           HB       ILE   6  -3.597   1.820   4.854
   45   1HG1  ILE   6          1HG1      ILE   6  -1.506   3.831   4.079
   46   2HG1  ILE   6          2HG1      ILE   6  -3.120   3.971   3.411
   47   1HG2  ILE   6          1HG2      ILE   6  -1.290   1.927   5.910
   48   2HG2  ILE   6          2HG2      ILE   6  -1.797   0.348   5.261
   49   3HG2  ILE   6          3HG2      ILE   6  -0.654   1.361   4.347
   50   1HD1  ILE   6          1HD1      ILE   6  -2.611   5.192   5.659
   51   2HD1  ILE   6          2HD1      ILE   6  -4.123   4.262   5.543
   52   3HD1  ILE   6          3HD1      ILE   6  -2.719   3.576   6.395
   53    H    THR   7           H        THR   7  -3.996  -0.657   3.830
   54    HA   THR   7           HA       THR   7  -1.747  -2.292   3.963
   55    HB   THR   7           HB       THR   7  -4.753  -2.868   3.881
   56    HG1  THR   7           1HG      THR   7  -4.247  -1.777   5.782
   57   1HG2  THR   7          1HG2      THR   7  -3.493  -4.975   3.437
   58   2HG2  THR   7          2HG2      THR   7  -2.415  -4.619   4.808
   59   3HG2  THR   7          3HG2      THR   7  -4.136  -4.971   5.097
   60   1HN   AIB   8          H         AIB   8  -4.205  -1.895   1.370
   61   1HB1  AIB   8          1HB1      AIB   8  -5.531  -2.918  -0.336
   62   2HB1  AIB   8          2HB1      AIB   8  -4.690  -1.516  -1.037
   63   3HB1  AIB   8          3HB1      AIB   8  -4.693  -3.072  -1.899
   64   1HB2  AIB   8          1HB2      AIB   8  -3.617  -4.927  -1.130
   65   2HB2  AIB   8          2HB2      AIB   8  -2.322  -4.857   0.090
   66   3HB2  AIB   8          3HB2      AIB   8  -4.026  -4.902   0.601
   67    H    LEU   9           H        LEU   9  -2.210  -0.708   0.062
   68    HA   LEU   9           HA       LEU   9  -0.761  -0.990  -2.433
   69   1HB   LEU   9          1HB       LEU   9  -1.191   1.312  -0.529
   70   2HB   LEU   9          2HB       LEU   9  -0.155   1.405  -1.939
   71    HG   LEU   9           HG       LEU   9  -3.094   0.697  -2.084
   72   1HD1  LEU   9          1HD1      LEU   9  -3.544   2.992  -2.714
   73   2HD1  LEU   9          2HD1      LEU   9  -2.791   2.941  -1.102
   74   3HD1  LEU   9          3HD1      LEU   9  -1.826   3.414  -2.521
   75   1HD2  LEU   9          1HD2      LEU   9  -2.768   1.454  -4.477
   76   2HD2  LEU   9          2HD2      LEU   9  -1.017   1.413  -4.160
   77   3HD2  LEU   9          3HD2      LEU   9  -1.982  -0.077  -4.025
   78   1HN   AIB  10          H         AIB  10  -0.302  -1.565   0.946
   79   1HB1  AIB  10          1HB1      AIB  10   1.775  -1.461   3.449
   80   2HB1  AIB  10          2HB1      AIB  10   0.321  -2.170   2.708
   81   3HB1  AIB  10          3HB1      AIB  10   1.867  -3.049   2.648
   82   1HB2  AIB  10          1HB2      AIB  10   2.434   0.572   0.692
   83   2HB2  AIB  10          2HB2      AIB  10   1.435   0.572   2.166
   84   3HB2  AIB  10          3HB2      AIB  10   3.118  -0.006   2.230
   85    HA   HYP  11           HA       HYP  11   4.452  -4.245   0.275
   86   1HB   HYP  11          1HB       HYP  11   3.167  -6.211  -1.245
   87   2HB   HYP  11          2HB       HYP  11   3.258  -6.239   0.506
   88   1HD   HYP  11          1HD       HYP  11   0.578  -3.429  -0.604
   89   2HD   HYP  11          2HD       HYP  11   0.713  -3.857   1.089
   90    HOD  HYP  11           HOD      HYP  11   1.380  -5.902   1.732
   91    HG   HYP  11           HG       HYP  11   0.905  -5.655  -1.192
   92    H    GLN  12           H        GLN  12   2.481  -2.490  -1.896
   93    HA   GLN  12           HA       GLN  12   3.934  -3.437  -4.197
   94   1HB   GLN  12          1HB       GLN  12   1.686  -1.384  -4.006
   95   2HB   GLN  12          2HB       GLN  12   2.322  -2.068  -5.488
   96   1HG   GLN  12          1HG       GLN  12   1.702  -4.388  -4.515
   97   2HG   GLN  12          2HG       GLN  12   0.814  -3.524  -3.275
   98   1HE2  GLN  12          1HE2      GLN  12  -1.238  -3.250  -3.647
   99   2HE2  GLN  12          2HE2      GLN  12  -2.025  -3.115  -5.185
  100   1HN   AIB  13          H         AIB  13   3.930  -0.800  -1.887
  101   1HB1  AIB  13          1HB1      AIB  13   5.972   1.187  -0.860
  102   2HB1  AIB  13          2HB1      AIB  13   4.788   2.383  -1.437
  103   3HB1  AIB  13          3HB1      AIB  13   4.231   0.825  -0.780
  104   1HB2  AIB  13          1HB2      AIB  13   4.379   1.242  -4.723
  105   2HB2  AIB  13          2HB2      AIB  13   3.306   1.753  -3.398
  106   3HB2  AIB  13          3HB2      AIB  13   4.827   2.627  -3.699
  107    HA   HYP  14           HA       HYP  14   9.125   0.661  -2.600
  108   1HB   HYP  14          1HB       HYP  14  10.002  -1.838  -1.702
  109   2HB   HYP  14          2HB       HYP  14   9.574  -0.516  -0.635
  110   1HD   HYP  14          1HD       HYP  14   6.185  -2.096  -2.156
  111   2HD   HYP  14          2HD       HYP  14   6.070  -0.912  -0.870
  112    HOD  HYP  14           HOD      HYP  14   7.705  -0.666   0.646
  113    HG   HYP  14           HG       HYP  14   8.068  -3.011  -1.145
  114   1HN   AIB  15          H         AIB  15   7.308  -1.812  -4.268
  115   1HB1  AIB  15          1HB1      AIB  15   7.437  -4.467  -5.863
  116   2HB1  AIB  15          2HB1      AIB  15   6.559  -2.927  -5.713
  117   3HB1  AIB  15          3HB1      AIB  15   7.475  -3.288  -7.196
  118   1HB2  AIB  15          1HB2      AIB  15   9.767  -4.624  -5.555
  119   2HB2  AIB  15          2HB2      AIB  15  10.421  -3.434  -4.405
  120   3HB2  AIB  15          3HB2      AIB  15   8.918  -4.308  -4.024
  121    HA   PRO  16           HA       PRO  16   9.633  -1.497  -9.161
  122   1HB   PRO  16          1HB       PRO  16   8.641   0.988  -9.716
  123   2HB   PRO  16          2HB       PRO  16   7.713  -0.484  -9.927
  124   1HG   PRO  16          1HG       PRO  16   7.492   1.560  -7.802
  125   2HG   PRO  16          2HG       PRO  16   6.330   0.335  -8.272
  126   1HD   PRO  16          1HD       PRO  16   8.048   0.279  -5.976
  127   2HD   PRO  16          2HD       PRO  16   6.971  -0.996  -6.509
  128    H1   PHL  17           1H       PHL  17  13.631   1.738  -5.570
  129    H2   PHL  17           2H       PHL  17  12.882   0.117  -5.578
  130    HO   PHL  17           HO       PHL  17  12.346   2.082  -3.910
  131    HA   PHL  17           HA       PHL  17  12.819   1.248  -7.815
  132   2HN   PHL  17          H         PHL  17  10.334   0.491  -6.490
  133   1HB   PHL  17          2HB       PHL  17  10.857   3.067  -6.290
  134   2HB   PHL  17          3HB       PHL  17  12.436   3.584  -6.849
  135    HD1  PHL  17           1HD      PHL  17  12.837   3.203  -9.455
  136    HD2  PHL  17           2HD      PHL  17   9.032   3.556  -7.611
  137    HE1  PHL  17           1HE      PHL  17  11.835   3.889 -11.653
  138    HE2  PHL  17           2HE      PHL  17   8.030   4.242  -9.808
  139    HZ   PHL  17           HZ       PHL  17   9.444   4.401 -11.802
  Start of MODEL   23
    1   1H    ACE   1          1H        ACE   1 -11.705   3.327   4.196
    2   2H    ACE   1          2H        ACE   1 -11.388   1.579   4.099
    3   3H    ACE   1          3H        ACE   1 -11.072   2.458   5.614
    4    H    TRP   2           H        TRP   2  -9.466   4.322   5.449
    5    HA   TRP   2           HA       TRP   2  -7.655   4.299   3.271
    6   1HB   TRP   2          1HB       TRP   2  -6.413   5.905   4.527
    7   2HB   TRP   2          2HB       TRP   2  -8.121   6.277   4.648
    8    HD1  TRP   2           HD       TRP   2  -9.257   6.000   7.113
    9    HE1  TRP   2           1HE      TRP   2  -8.323   5.850   9.576
   10    HE3  TRP   2           3HE      TRP   2  -4.457   4.967   5.790
   11    HZ2  TRP   2           2HZ      TRP   2  -5.740   5.327  10.671
   12    HZ3  TRP   2           3HZ      TRP   2  -2.791   4.652   7.618
   13    HH2  TRP   2           HH       TRP   2  -3.367   4.816   9.988
   14    H    ILE   3           H        ILE   3  -8.052   2.509   6.293
   15    HA   ILE   3           HA       ILE   3  -5.353   1.624   6.449
   16    HB   ILE   3           HB       ILE   3  -7.916   1.114   7.843
   17   1HG1  ILE   3          1HG1      ILE   3  -6.081   2.783   8.482
   18   2HG1  ILE   3          2HG1      ILE   3  -6.729   1.758   9.746
   19   1HG2  ILE   3          1HG2      ILE   3  -7.377  -1.161   7.418
   20   2HG2  ILE   3          2HG2      ILE   3  -5.654  -0.894   7.781
   21   3HG2  ILE   3          3HG2      ILE   3  -6.862  -0.809   9.086
   22   1HD1  ILE   3          1HD1      ILE   3  -4.812   0.298   9.695
   23   2HD1  ILE   3          2HD1      ILE   3  -4.229   1.013   8.173
   24   3HD1  ILE   3          3HD1      ILE   3  -4.176   1.961   9.678
   25    H    GLN   4           H        GLN   4  -8.312   0.588   4.772
   26    HA   GLN   4           HA       GLN   4  -7.236  -1.914   4.025
   27   1HB   GLN   4          1HB       GLN   4  -9.632  -0.259   3.264
   28   2HB   GLN   4          2HB       GLN   4  -9.156  -1.550   2.179
   29   1HG   GLN   4          1HG       GLN   4  -9.350  -3.219   3.945
   30   2HG   GLN   4          2HG       GLN   4  -9.542  -1.984   5.174
   31   1HE2  GLN   4          1HE2      GLN   4 -10.985  -3.455   2.320
   32   2HE2  GLN   4          2HE2      GLN   4 -12.638  -3.062   2.659
   33   1HN   DIV   5          H         DIV   5  -7.676   1.280   2.342
   34   1HB1  DIV   5          2HB1      DIV   5  -6.339  -0.416  -0.370
   35   2HB1  DIV   5          3HB1      DIV   5  -5.785   1.082  -1.154
   36   1HG1  DIV   5          1HG1      DIV   5  -7.979   2.029  -1.083
   37   2HG1  DIV   5          2HG1      DIV   5  -8.139   0.373  -1.713
   38   3HG1  DIV   5          3HG1      DIV   5  -8.575   0.729  -0.025
   39   1HB2  DIV   5          1HB2      DIV   5  -5.918   3.200   1.871
   40   2HB2  DIV   5          2HB2      DIV   5  -5.860   3.206   0.092
   41   3HB2  DIV   5          3HB2      DIV   5  -7.413   2.968   0.931
   42    H    ILE   6           H        ILE   6  -4.823   1.524   3.209
   43    HA   ILE   6           HA       ILE   6  -2.284   1.846   1.948
   44    HB   ILE   6           HB       ILE   6  -3.264   3.020   4.023
   45   1HG1  ILE   6          1HG1      ILE   6  -0.407   2.016   4.128
   46   2HG1  ILE   6          2HG1      ILE   6  -0.965   3.283   3.055
   47   1HG2  ILE   6          1HG2      ILE   6  -1.982   0.698   5.467
   48   2HG2  ILE   6          2HG2      ILE   6  -2.915   2.052   6.146
   49   3HG2  ILE   6          3HG2      ILE   6  -3.734   0.805   5.174
   50   1HD1  ILE   6          1HD1      ILE   6  -0.995   3.314   6.103
   51   2HD1  ILE   6          2HD1      ILE   6  -0.046   4.359   5.017
   52   3HD1  ILE   6          3HD1      ILE   6  -1.815   4.540   5.106
   53    H    THR   7           H        THR   7  -4.072  -0.751   3.593
   54    HA   THR   7           HA       THR   7  -1.820  -2.449   3.942
   55    HB   THR   7           HB       THR   7  -4.853  -2.839   3.892
   56    HG1  THR   7           1HG      THR   7  -4.052  -1.724   5.734
   57   1HG2  THR   7          1HG2      THR   7  -4.363  -5.013   5.054
   58   2HG2  THR   7          2HG2      THR   7  -3.794  -5.029   3.369
   59   3HG2  THR   7          3HG2      THR   7  -2.634  -4.792   4.697
   60   1HN   AIB   8          H         AIB   8  -4.297  -2.058   1.354
   61   1HB1  AIB   8          1HB1      AIB   8  -5.583  -3.002  -0.382
   62   2HB1  AIB   8          2HB1      AIB   8  -4.718  -1.619  -1.088
   63   3HB1  AIB   8          3HB1      AIB   8  -4.738  -3.182  -1.938
   64   1HB2  AIB   8          1HB2      AIB   8  -2.370  -4.971   0.022
   65   2HB2  AIB   8          2HB2      AIB   8  -4.077  -5.037   0.521
   66   3HB2  AIB   8          3HB2      AIB   8  -3.654  -5.020  -1.208
   67    H    LEU   9           H        LEU   9  -2.334  -0.787   0.042
   68    HA   LEU   9           HA       LEU   9  -0.845  -1.045  -2.432
   69   1HB   LEU   9          1HB       LEU   9  -1.364   1.268  -0.563
   70   2HB   LEU   9          2HB       LEU   9  -0.347   1.374  -1.986
   71    HG   LEU   9           HG       LEU   9  -3.243   0.518  -2.123
   72   1HD1  LEU   9          1HD1      LEU   9  -3.796   2.821  -2.765
   73   2HD1  LEU   9          2HD1      LEU   9  -3.174   2.727  -1.100
   74   3HD1  LEU   9          3HD1      LEU   9  -2.124   3.319  -2.409
   75   1HD2  LEU   9          1HD2      LEU   9  -2.992   1.305  -4.492
   76   2HD2  LEU   9          2HD2      LEU   9  -1.246   1.467  -4.188
   77   3HD2  LEU   9          3HD2      LEU   9  -2.025  -0.129  -4.069
   78   1HN   AIB  10          H         AIB  10  -0.415  -1.530   0.966
   79   1HB1  AIB  10          1HB1      AIB  10   0.271  -2.482   2.559
   80   2HB1  AIB  10          2HB1      AIB  10   1.965  -3.010   2.679
   81   3HB1  AIB  10          3HB1      AIB  10   1.452  -1.490   3.449
   82   1HB2  AIB  10          1HB2      AIB  10   1.291   0.522   2.244
   83   2HB2  AIB  10          2HB2      AIB  10   2.975  -0.049   2.335
   84   3HB2  AIB  10          3HB2      AIB  10   2.332   0.589   0.802
   85    HA   HYP  11           HA       HYP  11   4.403  -4.152   0.164
   86   1HB   HYP  11          1HB       HYP  11   3.147  -6.112  -1.387
   87   2HB   HYP  11          2HB       HYP  11   3.265  -6.182   0.360
   88   1HD   HYP  11          1HD       HYP  11   0.496  -3.417  -0.637
   89   2HD   HYP  11          2HD       HYP  11   0.666  -3.886   1.042
   90    HOD  HYP  11           HOD      HYP  11   1.404  -5.932   1.621
   91    HG   HYP  11           HG       HYP  11   0.872  -5.618  -1.288
   92    H    GLN  12           H        GLN  12   2.331  -2.422  -1.944
   93    HA   GLN  12           HA       GLN  12   3.765  -3.218  -4.294
   94   1HB   GLN  12          1HB       GLN  12   1.583  -1.123  -3.899
   95   2HB   GLN  12          2HB       GLN  12   2.206  -1.643  -5.452
   96   1HG   GLN  12          1HG       GLN  12   1.505  -4.013  -4.882
   97   2HG   GLN  12          2HG       GLN  12   0.781  -3.408  -3.406
   98   1HE2  GLN  12          1HE2      GLN  12  -1.322  -3.473  -3.637
   99   2HE2  GLN  12          2HE2      GLN  12  -2.247  -2.868  -4.971
  100   1HN   AIB  13          H         AIB  13   3.788  -0.627  -1.878
  101   1HB1  AIB  13          1HB1      AIB  13   5.787   1.439  -0.815
  102   2HB1  AIB  13          2HB1      AIB  13   4.539   2.555  -1.420
  103   3HB1  AIB  13          3HB1      AIB  13   4.069   0.972  -0.754
  104   1HB2  AIB  13          1HB2      AIB  13   4.710   2.798  -3.680
  105   2HB2  AIB  13          2HB2      AIB  13   4.311   1.402  -4.711
  106   3HB2  AIB  13          3HB2      AIB  13   3.189   1.911  -3.426
  107    HA   HYP  14           HA       HYP  14   9.000   0.855  -2.464
  108   1HB   HYP  14          1HB       HYP  14   9.851  -1.629  -1.502
  109   2HB   HYP  14          2HB       HYP  14   9.409  -0.285  -0.468
  110   1HD   HYP  14          1HD       HYP  14   6.042  -1.883  -2.020
  111   2HD   HYP  14          2HD       HYP  14   5.909  -0.673  -0.759
  112    HOD  HYP  14           HOD      HYP  14   8.385  -1.819   1.195
  113    HG   HYP  14           HG       HYP  14   7.903  -2.784  -0.957
  114   1HN   AIB  15          H         AIB  15   7.145  -1.435  -4.236
  115   1HB1  AIB  15          1HB1      AIB  15   7.430  -4.095  -6.382
  116   2HB1  AIB  15          2HB1      AIB  15   6.434  -3.100  -5.292
  117   3HB1  AIB  15          3HB1      AIB  15   6.937  -2.456  -6.874
  118   1HB2  AIB  15          1HB2      AIB  15   9.487  -4.424  -5.429
  119   2HB2  AIB  15          2HB2      AIB  15  10.139  -3.283  -4.228
  120   3HB2  AIB  15          3HB2      AIB  15   8.580  -4.090  -3.933
  121    HA   PRO  16           HA       PRO  16   9.477  -1.300  -9.035
  122   1HB   PRO  16          1HB       PRO  16   8.793   1.297  -9.537
  123   2HB   PRO  16          2HB       PRO  16   7.674  -0.039  -9.712
  124   1HG   PRO  16          1HG       PRO  16   7.810   1.994  -7.571
  125   2HG   PRO  16          2HG       PRO  16   6.480   0.935  -7.996
  126   1HD   PRO  16          1HD       PRO  16   8.272   0.635  -5.776
  127   2HD   PRO  16          2HD       PRO  16   7.017  -0.484  -6.269
  128    H1   PHL  17           1H       PHL  17  13.666  -0.555  -7.328
  129    H2   PHL  17           2H       PHL  17  13.224  -0.301  -5.617
  130    HO   PHL  17           HO       PHL  17  14.866   1.081  -5.351
  131    HA   PHL  17           HA       PHL  17  12.719   1.630  -7.919
  132   2HN   PHL  17          H         PHL  17  10.647   0.315  -6.344
  133   1HB   PHL  17          2HB       PHL  17  12.086   1.658  -4.908
  134   2HB   PHL  17          3HB       PHL  17  13.120   2.799  -5.745
  135    HD1  PHL  17           1HD      PHL  17  11.906   4.079  -7.750
  136    HD2  PHL  17           2HD      PHL  17   9.927   2.312  -4.437
  137    HE1  PHL  17           1HE      PHL  17   9.938   5.594  -8.116
  138    HE2  PHL  17           2HE      PHL  17   7.959   3.826  -4.804
  139    HZ   PHL  17           HZ       PHL  17   7.989   5.450  -6.639
  Start of MODEL   24
    1   1H    ACE   1          1H        ACE   1 -11.656   3.378   4.399
    2   2H    ACE   1          2H        ACE   1 -11.387   1.835   3.554
    3   3H    ACE   1          3H        ACE   1 -11.082   1.957   5.303
    4    H    TRP   2           H        TRP   2  -9.679   4.296   5.571
    5    HA   TRP   2           HA       TRP   2  -7.637   4.650   3.705
    6   1HB   TRP   2          1HB       TRP   2  -8.079   5.370   6.566
    7   2HB   TRP   2          2HB       TRP   2  -6.455   5.503   5.921
    8    HD1  TRP   2           HD       TRP   2  -9.667   7.408   6.059
    9    HE1  TRP   2           1HE      TRP   2  -9.633   9.592   4.578
   10    HE3  TRP   2           3HE      TRP   2  -5.419   6.250   3.513
   11    HZ2  TRP   2           2HZ      TRP   2  -7.873  10.569   2.555
   12    HZ3  TRP   2           3HZ      TRP   2  -4.611   7.872   1.802
   13    HH2  TRP   2           HH       TRP   2  -5.765   9.970   1.307
   14    H    ILE   3           H        ILE   3  -8.056   2.472   6.544
   15    HA   ILE   3           HA       ILE   3  -5.369   1.633   6.612
   16    HB   ILE   3           HB       ILE   3  -7.945   0.789   7.843
   17   1HG1  ILE   3          1HG1      ILE   3  -6.359   2.612   8.699
   18   2HG1  ILE   3          2HG1      ILE   3  -6.936   1.422   9.848
   19   1HG2  ILE   3          1HG2      ILE   3  -7.114  -1.364   7.288
   20   2HG2  ILE   3          2HG2      ILE   3  -5.453  -0.921   7.750
   21   3HG2  ILE   3          3HG2      ILE   3  -6.712  -1.083   8.999
   22   1HD1  ILE   3          1HD1      ILE   3  -4.855   0.208   9.801
   23   2HD1  ILE   3          2HD1      ILE   3  -4.293   1.100   8.367
   24   3HD1  ILE   3          3HD1      ILE   3  -4.426   1.931   9.936
   25    H    GLN   4           H        GLN   4  -8.249   0.628   4.781
   26    HA   GLN   4           HA       GLN   4  -7.107  -1.850   4.024
   27   1HB   GLN   4          1HB       GLN   4  -9.570  -0.279   3.256
   28   2HB   GLN   4          2HB       GLN   4  -9.085  -1.636   2.259
   29   1HG   GLN   4          1HG       GLN   4  -9.203  -3.170   4.156
   30   2HG   GLN   4          2HG       GLN   4  -9.425  -1.849   5.284
   31   1HE2  GLN   4          1HE2      GLN   4 -11.281  -3.301   5.809
   32   2HE2  GLN   4          2HE2      GLN   4 -12.789  -3.029   5.003
   33   1HN   DIV   5          H         DIV   5  -7.819   1.256   2.250
   34   1HB1  DIV   5          2HB1      DIV   5  -6.099  -0.266  -0.496
   35   2HB1  DIV   5          3HB1      DIV   5  -6.050   1.354  -1.227
   36   1HG1  DIV   5          1HG1      DIV   5  -8.435   1.651  -0.783
   37   2HG1  DIV   5          2HG1      DIV   5  -8.152   0.168  -1.724
   38   3HG1  DIV   5          3HG1      DIV   5  -8.500   0.063   0.018
   39   1HB2  DIV   5          1HB2      DIV   5  -5.943   3.345   0.162
   40   2HB2  DIV   5          2HB2      DIV   5  -7.606   2.977   0.679
   41   3HB2  DIV   5          3HB2      DIV   5  -6.339   3.266   1.897
   42    H    ILE   6           H        ILE   6  -4.973   1.790   3.150
   43    HA   ILE   6           HA       ILE   6  -2.373   2.022   2.143
   44    HB   ILE   6           HB       ILE   6  -3.586   1.655   4.858
   45   1HG1  ILE   6          1HG1      ILE   6  -1.857   3.903   3.814
   46   2HG1  ILE   6          2HG1      ILE   6  -3.584   3.848   3.519
   47   1HG2  ILE   6          1HG2      ILE   6  -1.572   0.397   5.069
   48   2HG2  ILE   6          2HG2      ILE   6  -0.634   1.630   4.193
   49   3HG2  ILE   6          3HG2      ILE   6  -1.288   1.990   5.808
   50   1HD1  ILE   6          1HD1      ILE   6  -2.154   3.990   6.201
   51   2HD1  ILE   6          2HD1      ILE   6  -3.328   5.139   5.517
   52   3HD1  ILE   6          3HD1      ILE   6  -3.870   3.538   6.071
   53    H    THR   7           H        THR   7  -4.053  -0.718   3.837
   54    HA   THR   7           HA       THR   7  -1.811  -2.344   3.988
   55    HB   THR   7           HB       THR   7  -4.803  -2.991   3.838
   56    HG1  THR   7           1HG      THR   7  -4.603  -2.096   5.850
   57   1HG2  THR   7          1HG2      THR   7  -4.086  -4.973   5.275
   58   2HG2  THR   7          2HG2      THR   7  -3.557  -5.090   3.578
   59   3HG2  THR   7          3HG2      THR   7  -2.399  -4.603   4.839
   60   1HN   AIB   8          H         AIB   8  -4.259  -2.014   1.371
   61   1HB1  AIB   8          1HB1      AIB   8  -5.573  -3.023  -0.257
   62   2HB1  AIB   8          2HB1      AIB   8  -4.717  -1.728  -1.128
   63   3HB1  AIB   8          3HB1      AIB   8  -4.787  -3.368  -1.817
   64   1HB2  AIB   8          1HB2      AIB   8  -4.040  -5.039   0.684
   65   2HB2  AIB   8          2HB2      AIB   8  -3.619  -5.111  -1.044
   66   3HB2  AIB   8          3HB2      AIB   8  -2.334  -4.981   0.182
   67    H    LEU   9           H        LEU   9  -2.297  -0.828   0.008
   68    HA   LEU   9           HA       LEU   9  -0.864  -1.173  -2.491
   69   1HB   LEU   9          1HB       LEU   9  -1.320   1.210  -0.693
   70   2HB   LEU   9          2HB       LEU   9  -0.356   1.253  -2.156
   71    HG   LEU   9           HG       LEU   9  -3.265   0.426  -2.139
   72   1HD1  LEU   9          1HD1      LEU   9  -3.063   2.701  -1.231
   73   2HD1  LEU   9          2HD1      LEU   9  -2.143   3.190  -2.674
   74   3HD1  LEU   9          3HD1      LEU   9  -3.843   2.685  -2.831
   75   1HD2  LEU   9          1HD2      LEU   9  -2.069  -0.334  -4.087
   76   2HD2  LEU   9          2HD2      LEU   9  -3.132   1.019  -4.544
   77   3HD2  LEU   9          3HD2      LEU   9  -1.382   1.288  -4.350
   78   1HN   AIB  10          H         AIB  10  -0.371  -1.589   0.900
   79   1HB1  AIB  10          1HB1      AIB  10   1.693  -1.418   3.374
   80   2HB1  AIB  10          2HB1      AIB  10   0.294  -2.228   2.630
   81   3HB1  AIB  10          3HB1      AIB  10   1.895  -3.008   2.597
   82   1HB2  AIB  10          1HB2      AIB  10   3.024   0.045   2.132
   83   2HB2  AIB  10          2HB2      AIB  10   2.309   0.596   0.598
   84   3HB2  AIB  10          3HB2      AIB  10   1.326   0.577   2.082
   85    HA   HYP  11           HA       HYP  11   4.453  -4.174   0.234
   86   1HB   HYP  11          1HB       HYP  11   3.219  -6.208  -1.236
   87   2HB   HYP  11          2HB       HYP  11   3.313  -6.193   0.514
   88   1HD   HYP  11          1HD       HYP  11   0.557  -3.484  -0.654
   89   2HD   HYP  11          2HD       HYP  11   0.705  -3.869   1.048
   90    HOD  HYP  11           HOD      HYP  11   0.253  -6.837   0.630
   91    HG   HYP  11           HG       HYP  11   0.943  -5.713  -1.191
   92    H    GLN  12           H        GLN  12   2.409  -2.553  -1.986
   93    HA   GLN  12           HA       GLN  12   3.899  -3.491  -4.261
   94   1HB   GLN  12          1HB       GLN  12   1.558  -1.551  -4.027
   95   2HB   GLN  12          2HB       GLN  12   2.273  -2.051  -5.546
   96   1HG   GLN  12          1HG       GLN  12   1.760  -4.454  -4.957
   97   2HG   GLN  12          2HG       GLN  12   0.970  -3.901  -3.493
   98   1HE2  GLN  12          1HE2      GLN  12  -1.105  -3.486  -3.559
   99   2HE2  GLN  12          2HE2      GLN  12  -2.072  -3.214  -4.971
  100   1HN   AIB  13          H         AIB  13   3.802  -0.784  -2.016
  101   1HB1  AIB  13          1HB1      AIB  13   3.976   0.936  -0.995
  102   2HB1  AIB  13          2HB1      AIB  13   5.725   1.261  -1.010
  103   3HB1  AIB  13          3HB1      AIB  13   4.592   2.460  -1.679
  104   1HB2  AIB  13          1HB2      AIB  13   4.205   1.159  -4.921
  105   2HB2  AIB  13          2HB2      AIB  13   3.101   1.688  -3.627
  106   3HB2  AIB  13          3HB2      AIB  13   4.594   2.602  -3.954
  107    HA   HYP  14           HA       HYP  14   8.934   0.882  -2.677
  108   1HB   HYP  14          1HB       HYP  14   9.912  -1.543  -1.686
  109   2HB   HYP  14          2HB       HYP  14   9.386  -0.219  -0.668
  110   1HD   HYP  14          1HD       HYP  14   6.128  -2.013  -2.239
  111   2HD   HYP  14          2HD       HYP  14   5.915  -0.804  -0.989
  112    HOD  HYP  14           HOD      HYP  14   7.558  -0.423   0.570
  113    HG   HYP  14           HG       HYP  14   8.027  -2.801  -1.151
  114   1HN   AIB  15          H         AIB  15   7.298  -1.724  -4.332
  115   1HB1  AIB  15          1HB1      AIB  15   7.586  -4.410  -5.798
  116   2HB1  AIB  15          2HB1      AIB  15   6.660  -2.890  -5.801
  117   3HB1  AIB  15          3HB1      AIB  15   7.673  -3.317  -7.202
  118   1HB2  AIB  15          1HB2      AIB  15   9.004  -4.121  -3.929
  119   2HB2  AIB  15          2HB2      AIB  15   9.919  -4.466  -5.417
  120   3HB2  AIB  15          3HB2      AIB  15  10.485  -3.205  -4.296
  121    HA   PRO  16           HA       PRO  16   9.920  -1.310  -9.088
  122   1HB   PRO  16          1HB       PRO  16   8.835   1.129  -9.675
  123   2HB   PRO  16          2HB       PRO  16   8.019  -0.387 -10.000
  124   1HG   PRO  16          1HG       PRO  16   7.489   1.581  -7.860
  125   2HG   PRO  16          2HG       PRO  16   6.448   0.305  -8.460
  126   1HD   PRO  16          1HD       PRO  16   7.955   0.284  -6.019
  127   2HD   PRO  16          2HD       PRO  16   7.007  -1.035  -6.677
  128    H1   PHL  17           1H       PHL  17  13.439  -0.318  -6.528
  129    H2   PHL  17           2H       PHL  17  12.816   0.222  -4.944
  130    HO   PHL  17           HO       PHL  17  14.435   1.638  -4.740
  131    HA   PHL  17           HA       PHL  17  12.633   1.846  -7.514
  132   2HN   PHL  17          H         PHL  17  10.415   0.403  -6.259
  133   1HB   PHL  17          2HB       PHL  17  11.215   2.014  -4.787
  134   2HB   PHL  17          3HB       PHL  17  12.566   3.038  -5.232
  135    HD1  PHL  17           1HD      PHL  17   9.010   2.388  -5.714
  136    HD2  PHL  17           2HD      PHL  17  12.287   4.813  -6.893
  137    HE1  PHL  17           1HE      PHL  17   7.420   4.044  -6.728
  138    HE2  PHL  17           2HE      PHL  17  10.696   6.468  -7.908
  139    HZ   PHL  17           HZ       PHL  17   8.282   6.065  -7.813