*HEADER    HORMONE/GROWTH FACTOR                   01-AUG-99   1C98              
*TITLE     SOLUTION STRUCTURE OF NEUROMEDIN B                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROMEDIN B;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 BIOLOGICAL_UNIT: MONOMER                                             
*SOURCE    MOL_ID: 1                                                             
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    NEUROMEDIN B, NMR, PEPTIDE                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.LEE, Y.KIM                                                          
*REVDAT   1   11-AUG-99 1C98    0                                                


!
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 2.5 0.7 0.2
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.5 0.7 0.2
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.5 0.7 0.2
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.5 0.7 0.2
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.5 0.7 0.2
assign (resid   10 and  name HN   )(resid   10 and  name H1   ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid   10 and  name H2   ) 3.0 1.2 0.5
!
assign (resid    2 and  name HN   )(resid    4 and  name HN   ) 4.0 2.2 1.0
!
assign (resid    2 and  name HN   )(resid    1 and  name HA1  ) 3.0 1.2 0.5
assign (resid    2 and  name HN   )(resid    1 and  name HA2  ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 3.0 1.2 0.5
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid    7 and  name HA1  ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid    7 and  name HA2  ) 3.0 1.2 0.5
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.5
assign (resid   10 and  name H1   )(resid   10 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name H2   )(resid   10 and  name HA   ) 4.0 2.2 1.0
!
assign (resid    3 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    6 and  name HN   )(resid    7 and  name HA1  ) 4.0 2.2 1.0
assign (resid    6 and  name HN   )(resid    7 and  name HA2  ) 4.0 2.2 1.0
!
assign (resid    6 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0
assign (resid    9 and  name HN   )(resid    7 and  name HA#  ) 4.0 2.2 1.0
!
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid    7 and  name HA2  ) 4.0 2.2 1.0
assign (resid   10 and  name H1   )(resid    8 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name H2   )(resid    8 and  name HA   ) 4.0 2.2 1.0
!
assign (resid   10 and  name H1   )(resid    7 and  name HA1  ) 4.0 2.2 1.0
assign (resid   10 and  name H1   )(resid    7 and  name HA2  ) 4.0 2.2 1.0
assign (resid   10 and  name H2   )(resid    7 and  name HA1  ) 4.0 2.2 1.0
assign (resid   10 and  name H2   )(resid    7 and  name HA2  ) 4.0 2.2 1.0
!
!i-i+2
assign (resid    2 and  name HD21 )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    2 and  name HD21 )(resid    4 and  name HB1  ) 3.0 1.2 0.5
assign (resid    2 and  name HD21 )(resid    4 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    2 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HD1  )(resid    2 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HE3  )(resid    2 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HE3  )(resid    2 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HB1  )(resid    6 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HB2  )(resid    6 and  name HN   ) 4.0 2.2 1.0
assign (resid    7 and  name HN   )(resid    5 and  name HB#  ) 4.0 2.2 2.5
assign (resid    8 and  name HN   )(resid    6 and  name HB   ) 4.0 2.2 1.0
!
assign (resid    5 and  name HB#  )(resid    2 and  name HD21 ) 4.0 2.2 2.5
assign (resid    8 and  name HD2  )(resid    5 and  name HA   ) 4.0 2.2 1.0
!
assign (resid    8 and  name HB#  )(resid    4 and  name HD1  ) 4.0 2.2 2.0
assign (resid    9 and  name HD#  )(resid    5 and  name HA   ) 4.0 2.2 3.0
!
assign (resid    3 and  name HN   )(resid    2 and  name HB1  ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    2 and  name HB2  ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    4 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    3 and  name HB1  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    3 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    3 and  name HG   ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    3 and  name HD1# ) 4.0 2.2 2.5
assign (resid    4 and  name HD1  )(resid    5 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HE3  )(resid    5 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HD1  )(resid    5 and  name HA   ) 4.0 2.2 1.0
assign (resid    4 and  name HD1  )(resid    5 and  name HB#  ) 4.0 2.2 2.5
assign (resid    4 and  name HE3  )(resid    3 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HE3  )(resid    3 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HE3  )(resid    5 and  name HB#  ) 4.0 2.2 2.5
assign (resid    5 and  name HN   )(resid    4 and  name HB1  ) 3.0 1.2 0.5
assign (resid    5 and  name HN   )(resid    4 and  name HB2  ) 3.0 1.2 0.5
assign (resid    6 and  name HN   )(resid    5 and  name HB#  ) 2.5 0.7 1.7
assign (resid    7 and  name HN   )(resid    6 and  name HB   ) 3.0 1.2 0.5
assign (resid    7 and  name HN   )(resid    6 and  name HG2# ) 3.0 1.2 2.0
assign (resid    8 and  name HD2  )(resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HD2  )(resid    9 and  name HZ   ) 4.0 2.2 1.0
assign (resid    8 and  name HD2  )(resid    9 and  name HD#  ) 3.0 1.2 2.5
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 2.5 0.7 1.2
assign (resid    9 and  name HA   )(resid    8 and  name HD2  ) 3.0 1.2 0.5
assign (resid    9 and  name HD#  )(resid    8 and  name HB#  ) 3.0 1.2 3.5
assign (resid    9 and  name HE#  )(resid    8 and  name HB#  ) 4.0 2.2 4.0
assign (resid    9 and  name HD#  )(resid   10 and  name HA   ) 4.0 2.2 3.0
assign (resid   10 and  name HN   )(resid    9 and  name HB1  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HB2  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HE#  ) 4.0 2.2 3.0
!
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 0.5
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 2.5 0.7 0.2
assign (resid    2 and  name HD21 )(resid    2 and  name HB1  ) 3.0 1.2 0.5
assign (resid    2 and  name HD21 )(resid    2 and  name HB2  ) 3.0 1.2 0.5
assign (resid    2 and  name HD22 )(resid    2 and  name HB1  ) 4.0 2.2 1.0
assign (resid    2 and  name HD22 )(resid    2 and  name HB2  ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 2.5 0.7 0.2
assign (resid    3 and  name HN   )(resid    3 and  name HG   ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HD1# ) 3.0 1.2 2.0
assign (resid    3 and  name HN   )(resid    3 and  name HD2# ) 4.0 2.2 2.5
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 2.5 0.7 0.2
assign (resid    4 and  name HN   )(resid    4 and  name HD1  ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    4 and  name HE3  ) 3.0 1.2 0.5
assign (resid    4 and  name HD1  )(resid    4 and  name HA   ) 3.0 1.2 0.5
assign (resid    4 and  name HE3  )(resid    4 and  name HA   ) 3.0 1.2 0.5
assign (resid    4 and  name HD1  )(resid    4 and  name HB1  ) 2.5 0.7 0.2
assign (resid    4 and  name HD1  )(resid    4 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HE1  )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HE1  )(resid    4 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HE3  )(resid    4 and  name HB1  ) 3.0 1.2 0.5
assign (resid    4 and  name HE3  )(resid    4 and  name HB2  ) 2.5 0.7 0.2
assign (resid    4 and  name HZ3  )(resid    4 and  name HB2  ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.5 0.7 1.7
assign (resid    6 and  name HN   )(resid    6 and  name HG2# ) 2.5 0.7 1.7
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 2.5 0.7 1.2
assign (resid    8 and  name HD2  )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid    8 and  name HD2  )(resid    8 and  name HA   ) 4.0 2.2 1.0
assign (resid    8 and  name HD2  )(resid    8 and  name HB#  ) 3.0 1.2 1.5
assign (resid    9 and  name HN   )(resid    9 and  name HB1  ) 3.0 1.2 0.5
assign (resid    9 and  name HN   )(resid    9 and  name HB2  ) 2.5 0.7 0.2
assign (resid    9 and  name HN   )(resid    9 and  name HE#  ) 3.0 1.2 2.5
assign (resid    9 and  name HD#  )(resid    9 and  name HN   ) 3.0 1.2 2.5
assign (resid    9 and  name HD#  )(resid    9 and  name HA   ) 2.5 0.7 2.2
assign (resid    9 and  name HD#  )(resid    9 and  name HB1  ) 2.5 0.7 2.2
assign (resid    9 and  name HD#  )(resid    9 and  name HB2  ) 2.5 0.7 2.2
assign (resid    9 and  name HE#  )(resid    9 and  name HA   ) 3.0 1.2 2.5
assign (resid    9 and  name HE#  )(resid    9 and  name HB1  ) 3.0 1.2 2.5
assign (resid    9 and  name HE#  )(resid    9 and  name HB2  ) 3.0 1.2 2.5
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HG1  ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HG2  ) 4.0 2.2 1.0




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -8.988  -0.761  -6.070
    2   2H    GLY   1          2H        GLY   1  -9.516  -0.339  -4.511
    3   3H    GLY   1          3H        GLY   1  -8.547  -1.716  -4.739
    4   1HA   GLY   1          2HA       GLY   1  -6.739  -0.248  -5.554
    5   2HA   GLY   1          1HA       GLY   1  -7.742   1.120  -5.067
    6    H    ASN   2           H        ASN   2  -5.316  -0.891  -4.009
    7    HA   ASN   2           HA       ASN   2  -6.074  -0.606  -1.150
    8   1HB   ASN   2          2HB       ASN   2  -4.363  -2.487  -2.739
    9   2HB   ASN   2          1HB       ASN   2  -3.972  -2.220  -1.037
   10   1HD2  ASN   2          1HD2      ASN   2  -5.537  -2.894   0.570
   11   2HD2  ASN   2          2HD2      ASN   2  -6.820  -3.938   0.182
   12    H    LEU   3           H        LEU   3  -5.466   1.640  -1.215
   13    HA   LEU   3           HA       LEU   3  -2.963   2.776  -1.930
   14   1HB   LEU   3          2HB       LEU   3  -5.210   3.331  -0.078
   15   2HB   LEU   3          1HB       LEU   3  -3.674   4.019   0.448
   16    HG   LEU   3           HG       LEU   3  -3.936   4.470  -2.365
   17   1HD1  LEU   3          1HD1      LEU   3  -6.041   6.135  -1.480
   18   2HD1  LEU   3          2HD1      LEU   3  -6.453   4.505  -0.947
   19   3HD1  LEU   3          3HD1      LEU   3  -6.141   4.823  -2.654
   20   1HD2  LEU   3          1HD2      LEU   3  -2.802   5.748  -0.341
   21   2HD2  LEU   3          2HD2      LEU   3  -4.347   6.597  -0.289
   22   3HD2  LEU   3          3HD2      LEU   3  -3.364   6.642  -1.753
   23    H    TRP   4           H        TRP   4  -4.105   0.765   0.571
   24    HA   TRP   4           HA       TRP   4  -2.470   0.500   2.664
   25   1HB   TRP   4          2HB       TRP   4  -3.956  -1.083   0.768
   26   2HB   TRP   4          1HB       TRP   4  -2.633  -2.004   1.389
   27    HD1  TRP   4           HD1      TRP   4  -2.721  -2.632   3.931
   28    HE1  TRP   4           HE1      TRP   4  -4.671  -2.488   5.655
   29    HE3  TRP   4           HE3      TRP   4  -5.756   0.200   1.279
   30    HZ2  TRP   4           HZ2      TRP   4  -7.307  -1.226   5.793
   31    HZ3  TRP   4           HZ3      TRP   4  -8.022   0.928   2.123
   32    HH2  TRP   4           HH2      TRP   4  -8.787   0.204   4.382
   33    H    ALA   5           H        ALA   5  -1.824  -1.365  -0.203
   34    HA   ALA   5           HA       ALA   5   0.777  -2.164   0.217
   35   1HB   ALA   5          1HB       ALA   5   0.661  -2.630  -2.163
   36   2HB   ALA   5          2HB       ALA   5  -0.534  -1.352  -2.390
   37   3HB   ALA   5          3HB       ALA   5  -0.960  -2.809  -1.493
   38    H    THR   6           H        THR   6  -0.324   1.023  -0.662
   39    HA   THR   6           HA       THR   6   2.184   1.945  -1.815
   40    HB   THR   6           HB       THR   6  -0.055   3.566  -0.595
   41    HG1  THR   6          1HG       THR   6  -1.146   2.194  -1.870
   42   1HG2  THR   6          1HG2      THR   6   2.129   3.979  -2.565
   43   2HG2  THR   6          2HG2      THR   6   1.440   5.103  -1.393
   44   3HG2  THR   6          3HG2      THR   6   0.592   4.774  -2.904
   45    H    GLY   7           H        GLY   7   1.136   1.204   1.315
   46   1HA   GLY   7          2HA       GLY   7   3.153   3.065   2.485
   47   2HA   GLY   7          1HA       GLY   7   1.698   2.569   3.349
   48    H    HIS   8           H        HIS   8   2.271  -0.165   1.902
   49    HA   HIS   8           HA       HIS   8   3.805  -1.279   4.173
   50   1HB   HIS   8          2HB       HIS   8   1.725  -2.334   3.459
   51   2HB   HIS   8          1HB       HIS   8   2.331  -2.479   1.809
   52    HD1  HIS   8           HD1      HIS   8   2.137  -4.307   4.934
   53    HD2  HIS   8           HD2      HIS   8   4.786  -4.217   1.717
   54    HE1  HIS   8           HE1      HIS   8   3.510  -6.430   5.078
   55    H    PHE   9           H        PHE   9   4.059  -0.986   0.645
   56    HA   PHE   9           HA       PHE   9   6.730  -2.282   0.676
   57   1HB   PHE   9          2HB       PHE   9   4.705  -1.421  -1.378
   58   2HB   PHE   9          1HB       PHE   9   6.358  -1.787  -1.872
   59    HD1  PHE   9           HD1      PHE   9   7.346  -4.042  -0.877
   60    HD2  PHE   9           HD2      PHE   9   3.160  -3.167  -1.279
   61    HE1  PHE   9           HE1      PHE   9   6.832  -6.467  -0.805
   62    HE2  PHE   9           HE2      PHE   9   2.646  -5.592  -1.207
   63    HZ   PHE   9           HZ       PHE   9   4.482  -7.242  -0.971
   64    H    MET  10           H        MET  10   5.214   0.864   0.111
   65    HA   MET  10           HA       MET  10   7.910   2.077  -0.337
   66   1HB   MET  10          2HB       MET  10   5.087   2.652  -1.138
   67   2HB   MET  10          1HB       MET  10   6.161   4.034  -0.919
   68   1HG   MET  10          2HG       MET  10   6.755   1.639  -2.681
   69   2HG   MET  10          1HG       MET  10   6.185   3.204  -3.261
   70   1HE   MET  10          1HE       MET  10   8.809   0.958  -2.296
   71   2HE   MET  10          2HE       MET  10  10.313   1.812  -2.633
   72   3HE   MET  10          3HE       MET  10   9.156   1.532  -3.933
   73   1HN   NH2  11          1HN       NH2  11   5.187   1.910   1.860
   74   2HN   NH2  11          2HN       NH2  11   5.748   3.052   2.974
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -7.084   3.565  -4.911
    2   2H    GLY   1          2H        GLY   1  -8.177   2.830  -3.839
    3   3H    GLY   1          3H        GLY   1  -8.423   2.720  -5.516
    4   1HA   GLY   1          2HA       GLY   1  -7.480   0.705  -5.253
    5   2HA   GLY   1          1HA       GLY   1  -6.002   1.660  -5.373
    6    H    ASN   2           H        ASN   2  -4.901   0.132  -3.984
    7    HA   ASN   2           HA       ASN   2  -5.805   0.117  -1.153
    8   1HB   ASN   2          2HB       ASN   2  -4.225  -1.730  -2.912
    9   2HB   ASN   2          1HB       ASN   2  -3.925  -1.754  -1.171
   10   1HD2  ASN   2          1HD2      ASN   2  -5.673  -2.432   0.237
   11   2HD2  ASN   2          2HD2      ASN   2  -7.038  -3.242  -0.367
   12    H    LEU   3           H        LEU   3  -4.924   2.259  -0.868
   13    HA   LEU   3           HA       LEU   3  -2.261   3.147  -1.286
   14   1HB   LEU   3          2HB       LEU   3  -4.438   3.635   0.741
   15   2HB   LEU   3          1HB       LEU   3  -2.835   4.295   1.068
   16    HG   LEU   3           HG       LEU   3  -3.707   4.760  -1.688
   17   1HD1  LEU   3          1HD1      LEU   3  -5.695   5.046   0.307
   18   2HD1  LEU   3          2HD1      LEU   3  -5.752   5.638  -1.353
   19   3HD1  LEU   3          3HD1      LEU   3  -5.133   6.675  -0.069
   20   1HD2  LEU   3          1HD2      LEU   3  -1.776   5.801  -0.351
   21   2HD2  LEU   3          2HD2      LEU   3  -3.007   6.754   0.477
   22   3HD2  LEU   3          3HD2      LEU   3  -2.787   6.921  -1.265
   23    H    TRP   4           H        TRP   4  -3.802   0.974   0.840
   24    HA   TRP   4           HA       TRP   4  -2.349   0.204   2.941
   25   1HB   TRP   4          2HB       TRP   4  -3.910  -0.883   0.791
   26   2HB   TRP   4          1HB       TRP   4  -2.722  -2.043   1.270
   27    HD1  TRP   4           HD1      TRP   4  -2.933  -3.005   3.719
   28    HE1  TRP   4           HE1      TRP   4  -4.932  -2.942   5.388
   29    HE3  TRP   4           HE3      TRP   4  -5.617   0.416   1.420
   30    HZ2  TRP   4           HZ2      TRP   4  -7.463  -1.495   5.632
   31    HZ3  TRP   4           HZ3      TRP   4  -7.851   1.209   2.292
   32    HH2  TRP   4           HH2      TRP   4  -8.765   0.241   4.399
   33    H    ALA   5           H        ALA   5  -1.759  -1.203  -0.187
   34    HA   ALA   5           HA       ALA   5   0.832  -2.243   0.360
   35   1HB   ALA   5          1HB       ALA   5   0.633  -2.791  -2.046
   36   2HB   ALA   5          2HB       ALA   5  -0.693  -1.636  -2.189
   37   3HB   ALA   5          3HB       ALA   5  -0.888  -3.085  -1.203
   38    H    THR   6           H        THR   6  -0.242   0.893  -0.673
   39    HA   THR   6           HA       THR   6   2.258   1.650  -1.998
   40    HB   THR   6           HB       THR   6  -0.294   2.996  -1.106
   41    HG1  THR   6          1HG       THR   6   0.732   3.069  -3.688
   42   1HG2  THR   6          1HG2      THR   6   2.259   4.236  -2.095
   43   2HG2  THR   6          2HG2      THR   6   1.206   4.765  -0.783
   44   3HG2  THR   6          3HG2      THR   6   0.704   4.983  -2.459
   45    H    GLY   7           H        GLY   7   1.257   1.215   1.196
   46   1HA   GLY   7          2HA       GLY   7   3.335   3.130   2.163
   47   2HA   GLY   7          1HA       GLY   7   1.871   2.776   3.081
   48    H    HIS   8           H        HIS   8   2.315  -0.111   1.929
   49    HA   HIS   8           HA       HIS   8   3.850  -1.042   4.283
   50   1HB   HIS   8          2HB       HIS   8   1.791  -2.164   3.837
   51   2HB   HIS   8          1HB       HIS   8   2.161  -2.312   2.119
   52    HD1  HIS   8           HD1      HIS   8   2.347  -4.159   5.229
   53    HD2  HIS   8           HD2      HIS   8   4.558  -4.090   1.695
   54    HE1  HIS   8           HE1      HIS   8   3.686  -6.309   5.179
   55    H    PHE   9           H        PHE   9   4.209  -0.719   0.812
   56    HA   PHE   9           HA       PHE   9   6.638  -2.424   0.773
   57   1HB   PHE   9          2HB       PHE   9   4.866  -1.035  -1.228
   58   2HB   PHE   9          1HB       PHE   9   6.447  -1.644  -1.717
   59    HD1  PHE   9           HD1      PHE   9   3.131  -2.481  -1.775
   60    HD2  PHE   9           HD2      PHE   9   6.886  -4.118  -0.484
   61    HE1  PHE   9           HE1      PHE   9   2.194  -4.770  -1.952
   62    HE2  PHE   9           HE2      PHE   9   5.950  -6.407  -0.660
   63    HZ   PHE   9           HZ       PHE   9   3.602  -6.733  -1.394
   64    H    MET  10           H        MET  10   5.668   0.965   0.499
   65    HA   MET  10           HA       MET  10   8.536   1.765   0.229
   66   1HB   MET  10          2HB       MET  10   6.345   2.473  -1.218
   67   2HB   MET  10          1HB       MET  10   6.311   3.728   0.021
   68   1HG   MET  10          2HG       MET  10   8.932   3.801  -0.570
   69   2HG   MET  10          1HG       MET  10   8.317   3.236  -2.124
   70   1HE   MET  10          1HE       MET  10   9.309   6.000  -0.113
   71   2HE   MET  10          2HE       MET  10   7.760   5.937   0.724
   72   3HE   MET  10          3HE       MET  10   8.156   7.330  -0.280
   73   1HN   NH2  11          1HN       NH2  11   5.774   1.777   2.368
   74   2HN   NH2  11          2HN       NH2  11   6.458   2.716   3.595
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -9.074  -1.818  -4.409
    2   2H    GLY   1          2H        GLY   1  -9.250  -1.149  -5.961
    3   3H    GLY   1          3H        GLY   1  -9.660  -0.236  -4.588
    4   1HA   GLY   1          2HA       GLY   1  -6.961  -1.046  -5.501
    5   2HA   GLY   1          1HA       GLY   1  -7.586   0.589  -5.282
    6    H    ASN   2           H        ASN   2  -5.444  -1.347  -3.922
    7    HA   ASN   2           HA       ASN   2  -6.227  -0.764  -1.115
    8   1HB   ASN   2          2HB       ASN   2  -4.534  -2.824  -2.486
    9   2HB   ASN   2          1HB       ASN   2  -4.160  -2.396  -0.813
   10   1HD2  ASN   2          1HD2      ASN   2  -5.748  -2.895   0.830
   11   2HD2  ASN   2          2HD2      ASN   2  -7.050  -3.943   0.528
   12    H    LEU   3           H        LEU   3  -5.573   1.456  -1.401
   13    HA   LEU   3           HA       LEU   3  -3.035   2.460  -2.185
   14   1HB   LEU   3          2HB       LEU   3  -5.292   3.247  -0.425
   15   2HB   LEU   3          1HB       LEU   3  -3.746   3.969   0.026
   16    HG   LEU   3           HG       LEU   3  -3.962   4.120  -2.810
   17   1HD1  LEU   3          1HD1      LEU   3  -6.099   4.674  -3.278
   18   2HD1  LEU   3          2HD1      LEU   3  -6.180   5.775  -1.904
   19   3HD1  LEU   3          3HD1      LEU   3  -6.520   4.059  -1.679
   20   1HD2  LEU   3          1HD2      LEU   3  -4.159   6.175  -0.587
   21   2HD2  LEU   3          2HD2      LEU   3  -3.957   6.582  -2.291
   22   3HD2  LEU   3          3HD2      LEU   3  -2.698   5.683  -1.444
   23    H    TRP   4           H        TRP   4  -4.261   0.739   0.486
   24    HA   TRP   4           HA       TRP   4  -2.669   0.654   2.628
   25   1HB   TRP   4          2HB       TRP   4  -4.153  -1.082   0.869
   26   2HB   TRP   4          1HB       TRP   4  -2.862  -1.961   1.608
   27    HD1  TRP   4           HD1      TRP   4  -3.014  -2.332   4.195
   28    HE1  TRP   4           HE1      TRP   4  -4.991  -1.973   5.856
   29    HE3  TRP   4           HE3      TRP   4  -5.931   0.288   1.213
   30    HZ2  TRP   4           HZ2      TRP   4  -7.598  -0.645   5.814
   31    HZ3  TRP   4           HZ3      TRP   4  -8.194   1.147   1.934
   32    HH2  TRP   4           HH2      TRP   4  -9.017   0.670   4.238
   33    H    ALA   5           H        ALA   5  -2.013  -1.497  -0.030
   34    HA   ALA   5           HA       ALA   5   0.541  -2.334   0.496
   35   1HB   ALA   5          1HB       ALA   5   0.292  -3.217  -1.628
   36   2HB   ALA   5          2HB       ALA   5  -0.255  -1.683  -2.304
   37   3HB   ALA   5          3HB       ALA   5  -1.363  -2.675  -1.357
   38    H    THR   6           H        THR   6  -0.418   0.823  -0.656
   39    HA   THR   6           HA       THR   6   2.146   1.602  -1.764
   40    HB   THR   6           HB       THR   6   0.066   3.456  -0.634
   41    HG1  THR   6          1HG       THR   6  -0.219   1.562  -2.664
   42   1HG2  THR   6          1HG2      THR   6   0.557   4.518  -2.930
   43   2HG2  THR   6          2HG2      THR   6   1.913   3.393  -3.013
   44   3HG2  THR   6          3HG2      THR   6   1.834   4.586  -1.715
   45    H    GLY   7           H        GLY   7   0.970   1.089   1.381
   46   1HA   GLY   7          2HA       GLY   7   3.005   2.940   2.523
   47   2HA   GLY   7          1HA       GLY   7   1.572   2.400   3.395
   48    H    HIS   8           H        HIS   8   2.294  -0.306   1.898
   49    HA   HIS   8           HA       HIS   8   3.811  -1.385   4.198
   50   1HB   HIS   8          2HB       HIS   8   1.881  -2.613   3.504
   51   2HB   HIS   8          1HB       HIS   8   2.350  -2.524   1.807
   52    HD1  HIS   8           HD1      HIS   8   2.329  -4.855   4.473
   53    HD2  HIS   8           HD2      HIS   8   5.138  -3.876   1.553
   54    HE1  HIS   8           HE1      HIS   8   3.919  -6.821   4.321
   55    H    PHE   9           H        PHE   9   4.176  -0.951   0.698
   56    HA   PHE   9           HA       PHE   9   6.888  -2.159   0.769
   57   1HB   PHE   9          2HB       PHE   9   4.903  -1.276  -1.313
   58   2HB   PHE   9          1HB       PHE   9   6.585  -1.548  -1.766
   59    HD1  PHE   9           HD1      PHE   9   7.439  -3.791  -0.169
   60    HD2  PHE   9           HD2      PHE   9   3.630  -3.102  -2.033
   61    HE1  PHE   9           HE1      PHE   9   7.028  -6.236  -0.233
   62    HE2  PHE   9           HE2      PHE   9   3.219  -5.547  -2.097
   63    HZ   PHE   9           HZ       PHE   9   4.917  -7.114  -1.197
   64    H    MET  10           H        MET  10   5.280   0.955   0.313
   65    HA   MET  10           HA       MET  10   7.940   2.285   0.006
   66   1HB   MET  10          2HB       MET  10   5.278   2.593  -1.111
   67   2HB   MET  10          1HB       MET  10   5.811   4.101  -0.367
   68   1HG   MET  10          2HG       MET  10   7.135   4.494  -2.141
   69   2HG   MET  10          1HG       MET  10   8.035   3.021  -1.780
   70   1HE   MET  10          1HE       MET  10   7.816   3.163  -5.294
   71   2HE   MET  10          2HE       MET  10   8.093   1.531  -4.692
   72   3HE   MET  10          3HE       MET  10   8.723   2.912  -3.796
   73   1HN   NH2  11          1HN       NH2  11   5.180   1.889   2.121
   74   2HN   NH2  11          2HN       NH2  11   5.663   2.996   3.306
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -7.664  -0.257  -6.171
    2   2H    GLY   1          2H        GLY   1  -7.140   0.497  -4.742
    3   3H    GLY   1          3H        GLY   1  -8.801   0.325  -5.055
    4   1HA   GLY   1          2HA       GLY   1  -8.872  -1.808  -4.390
    5   2HA   GLY   1          1HA       GLY   1  -7.260  -2.137  -5.028
    6    H    ASN   2           H        ASN   2  -5.597  -2.204  -3.571
    7    HA   ASN   2           HA       ASN   2  -6.175  -1.335  -0.788
    8   1HB   ASN   2          2HB       ASN   2  -4.531  -3.494  -2.063
    9   2HB   ASN   2          1HB       ASN   2  -4.044  -2.880  -0.480
   10   1HD2  ASN   2          1HD2      ASN   2  -5.495  -3.222   1.326
   11   2HD2  ASN   2          2HD2      ASN   2  -6.781  -4.329   1.241
   12    H    LEU   3           H        LEU   3  -5.615   0.856  -1.374
   13    HA   LEU   3           HA       LEU   3  -3.168   1.817  -2.452
   14   1HB   LEU   3          2HB       LEU   3  -5.257   2.755  -0.523
   15   2HB   LEU   3          1HB       LEU   3  -3.718   3.618  -0.488
   16    HG   LEU   3           HG       LEU   3  -4.149   3.463  -3.175
   17   1HD1  LEU   3          1HD1      LEU   3  -6.291   2.792  -3.503
   18   2HD1  LEU   3          2HD1      LEU   3  -6.731   4.409  -2.955
   19   3HD1  LEU   3          3HD1      LEU   3  -6.725   3.064  -1.816
   20   1HD2  LEU   3          1HD2      LEU   3  -5.110   5.830  -2.874
   21   2HD2  LEU   3          2HD2      LEU   3  -3.537   5.520  -2.139
   22   3HD2  LEU   3          3HD2      LEU   3  -4.990   5.536  -1.139
   23    H    TRP   4           H        TRP   4  -4.151   0.384   0.476
   24    HA   TRP   4           HA       TRP   4  -2.418   0.580   2.496
   25   1HB   TRP   4          2HB       TRP   4  -3.954  -1.381   1.045
   26   2HB   TRP   4          1HB       TRP   4  -2.582  -2.136   1.776
   27    HD1  TRP   4           HD1      TRP   4  -2.541  -2.236   4.390
   28    HE1  TRP   4           HE1      TRP   4  -4.407  -1.757   6.146
   29    HE3  TRP   4           HE3      TRP   4  -5.751  -0.029   1.375
   30    HZ2  TRP   4           HZ2      TRP   4  -7.056  -0.515   6.157
   31    HZ3  TRP   4           HZ3      TRP   4  -7.986   0.838   2.167
   32    HH2  TRP   4           HH2      TRP   4  -8.629   0.584   4.562
   33    H    ALA   5           H        ALA   5  -1.863  -1.821   0.037
   34    HA   ALA   5           HA       ALA   5   0.737  -2.548   0.463
   35   1HB   ALA   5          1HB       ALA   5   0.386  -2.600  -2.283
   36   2HB   ALA   5          2HB       ALA   5  -1.264  -2.458  -1.679
   37   3HB   ALA   5          3HB       ALA   5  -0.248  -3.801  -1.158
   38    H    THR   6           H        THR   6  -0.366   0.477  -0.910
   39    HA   THR   6           HA       THR   6   2.123   1.198  -2.215
   40    HB   THR   6           HB       THR   6   0.048   3.109  -1.168
   41    HG1  THR   6          1HG       THR   6  -1.031   2.457  -3.256
   42   1HG2  THR   6          1HG2      THR   6   1.726   4.175  -2.432
   43   2HG2  THR   6          2HG2      THR   6   0.410   3.947  -3.583
   44   3HG2  THR   6          3HG2      THR   6   1.799   2.859  -3.604
   45    H    GLY   7           H        GLY   7   1.110   0.952   1.015
   46   1HA   GLY   7          2HA       GLY   7   3.284   2.807   1.863
   47   2HA   GLY   7          1HA       GLY   7   1.792   2.635   2.783
   48    H    HIS   8           H        HIS   8   2.156  -0.375   1.792
   49    HA   HIS   8           HA       HIS   8   3.326  -1.280   4.320
   50   1HB   HIS   8          2HB       HIS   8   1.458  -2.480   3.448
   51   2HB   HIS   8          1HB       HIS   8   2.176  -2.572   1.839
   52    HD1  HIS   8           HD1      HIS   8   1.878  -4.432   4.960
   53    HD2  HIS   8           HD2      HIS   8   4.617  -4.292   1.820
   54    HE1  HIS   8           HE1      HIS   8   3.276  -6.536   5.134
   55    H    PHE   9           H        PHE   9   4.389  -0.897   0.999
   56    HA   PHE   9           HA       PHE   9   6.690  -2.649   1.153
   57   1HB   PHE   9          2HB       PHE   9   5.794  -0.368  -0.616
   58   2HB   PHE   9          1HB       PHE   9   7.317  -1.212  -0.895
   59    HD1  PHE   9           HD1      PHE   9   4.338  -1.070  -2.326
   60    HD2  PHE   9           HD2      PHE   9   6.665  -3.982  -0.191
   61    HE1  PHE   9           HE1      PHE   9   3.117  -2.893  -3.482
   62    HE2  PHE   9           HE2      PHE   9   5.444  -5.805  -1.349
   63    HZ   PHE   9           HZ       PHE   9   3.671  -5.260  -2.994
   64    H    MET  10           H        MET  10   6.163   0.815   1.720
   65    HA   MET  10           HA       MET  10   9.011   1.087   2.586
   66   1HB   MET  10          2HB       MET  10   7.468   2.565   0.861
   67   2HB   MET  10          1HB       MET  10   7.252   3.457   2.367
   68   1HG   MET  10          2HG       MET  10   9.200   4.311   1.120
   69   2HG   MET  10          1HG       MET  10   9.703   3.583   2.644
   70   1HE   MET  10          1HE       MET  10  12.417   2.037   1.961
   71   2HE   MET  10          2HE       MET  10  11.339   0.687   2.303
   72   3HE   MET  10          3HE       MET  10  11.047   2.250   3.060
   73   1HN   NH2  11          1HN       NH2  11   5.677   1.154   3.669
   74   2HN   NH2  11          2HN       NH2  11   5.991   1.562   5.279
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -5.712   3.256  -4.505
    2   2H    GLY   1          2H        GLY   1  -7.287   3.829  -4.221
    3   3H    GLY   1          3H        GLY   1  -6.806   3.400  -5.794
    4   1HA   GLY   1          2HA       GLY   1  -8.252   1.737  -4.616
    5   2HA   GLY   1          1HA       GLY   1  -6.742   1.118  -5.284
    6    H    ASN   2           H        ASN   2  -5.139   0.396  -3.860
    7    HA   ASN   2           HA       ASN   2  -5.935   0.267  -1.000
    8   1HB   ASN   2          2HB       ASN   2  -4.419  -1.503  -2.887
    9   2HB   ASN   2          1HB       ASN   2  -4.051  -1.591  -1.160
   10   1HD2  ASN   2          1HD2      ASN   2  -5.729  -2.346   0.284
   11   2HD2  ASN   2          2HD2      ASN   2  -7.119  -3.132  -0.294
   12    H    LEU   3           H        LEU   3  -5.055   2.400  -0.662
   13    HA   LEU   3           HA       LEU   3  -2.413   3.318  -1.145
   14   1HB   LEU   3          2HB       LEU   3  -4.539   3.730   0.941
   15   2HB   LEU   3          1HB       LEU   3  -2.924   4.345   1.296
   16    HG   LEU   3           HG       LEU   3  -4.373   4.954  -1.289
   17   1HD1  LEU   3          1HD1      LEU   3  -5.680   5.825   0.616
   18   2HD1  LEU   3          2HD1      LEU   3  -4.925   7.140  -0.284
   19   3HD1  LEU   3          3HD1      LEU   3  -4.234   6.611   1.250
   20   1HD2  LEU   3          1HD2      LEU   3  -2.682   6.989  -0.914
   21   2HD2  LEU   3          2HD2      LEU   3  -2.152   5.484  -1.666
   22   3HD2  LEU   3          3HD2      LEU   3  -1.825   5.779   0.042
   23    H    TRP   4           H        TRP   4  -3.865   1.056   0.949
   24    HA   TRP   4           HA       TRP   4  -2.335   0.216   2.968
   25   1HB   TRP   4          2HB       TRP   4  -3.962  -0.798   0.832
   26   2HB   TRP   4          1HB       TRP   4  -2.751  -1.968   1.224
   27    HD1  TRP   4           HD1      TRP   4  -2.874  -3.028   3.638
   28    HE1  TRP   4           HE1      TRP   4  -4.815  -3.046   5.374
   29    HE3  TRP   4           HE3      TRP   4  -5.652   0.466   1.570
   30    HZ2  TRP   4           HZ2      TRP   4  -7.345  -1.625   5.761
   31    HZ3  TRP   4           HZ3      TRP   4  -7.860   1.208   2.548
   32    HH2  TRP   4           HH2      TRP   4  -8.697   0.150   4.645
   33    H    ALA   5           H        ALA   5  -1.844  -1.059  -0.232
   34    HA   ALA   5           HA       ALA   5   0.767  -2.109   0.187
   35   1HB   ALA   5          1HB       ALA   5  -0.671  -3.101  -1.384
   36   2HB   ALA   5          2HB       ALA   5   0.458  -2.218  -2.414
   37   3HB   ALA   5          3HB       ALA   5  -1.137  -1.545  -2.070
   38    H    THR   6           H        THR   6  -0.342   1.064  -0.671
   39    HA   THR   6           HA       THR   6   2.107   1.882  -2.053
   40    HB   THR   6           HB       THR   6  -0.415   3.181  -1.020
   41    HG1  THR   6          1HG       THR   6  -0.633   2.140  -2.955
   42   1HG2  THR   6          1HG2      THR   6   1.994   4.525  -2.262
   43   2HG2  THR   6          2HG2      THR   6   1.319   4.831  -0.663
   44   3HG2  THR   6          3HG2      THR   6   0.409   5.284  -2.105
   45    H    GLY   7           H        GLY   7   1.229   1.305   1.151
   46   1HA   GLY   7          2HA       GLY   7   3.384   3.132   2.111
   47   2HA   GLY   7          1HA       GLY   7   1.916   2.861   3.048
   48    H    HIS   8           H        HIS   8   2.326  -0.047   1.755
   49    HA   HIS   8           HA       HIS   8   3.691  -1.095   4.161
   50   1HB   HIS   8          2HB       HIS   8   1.620  -2.123   3.476
   51   2HB   HIS   8          1HB       HIS   8   2.196  -2.303   1.818
   52    HD1  HIS   8           HD1      HIS   8   1.969  -4.103   4.959
   53    HD2  HIS   8           HD2      HIS   8   4.574  -4.145   1.705
   54    HE1  HIS   8           HE1      HIS   8   3.250  -6.283   5.095
   55    H    PHE   9           H        PHE   9   4.185  -0.872   0.668
   56    HA   PHE   9           HA       PHE   9   6.707  -2.427   0.851
   57   1HB   PHE   9          2HB       PHE   9   4.884  -1.385  -1.295
   58   2HB   PHE   9          1HB       PHE   9   6.540  -1.822  -1.716
   59    HD1  PHE   9           HD1      PHE   9   3.232  -3.049  -1.072
   60    HD2  PHE   9           HD2      PHE   9   7.381  -4.156  -1.001
   61    HE1  PHE   9           HE1      PHE   9   2.593  -5.445  -1.103
   62    HE2  PHE   9           HE2      PHE   9   6.743  -6.552  -1.032
   63    HZ   PHE   9           HZ       PHE   9   4.348  -7.197  -1.083
   64    H    MET  10           H        MET  10   5.569   0.832  -0.012
   65    HA   MET  10           HA       MET  10   8.398   1.784  -0.049
   66   1HB   MET  10          2HB       MET  10   7.268   3.761  -1.181
   67   2HB   MET  10          1HB       MET  10   7.142   2.243  -2.064
   68   1HG   MET  10          2HG       MET  10   4.971   2.596  -0.139
   69   2HG   MET  10          1HG       MET  10   5.018   3.885  -1.341
   70   1HE   MET  10          1HE       MET  10   3.268   2.652  -4.128
   71   2HE   MET  10          2HE       MET  10   4.930   3.234  -4.207
   72   3HE   MET  10          3HE       MET  10   3.821   3.917  -3.021
   73   1HN   NH2  11          1HN       NH2  11   5.321   2.021   1.630
   74   2HN   NH2  11          2HN       NH2  11   5.805   3.162   2.781
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -9.180   0.751  -5.239
    2   2H    GLY   1          2H        GLY   1  -9.460  -0.387  -4.008
    3   3H    GLY   1          3H        GLY   1  -9.498  -0.866  -5.638
    4   1HA   GLY   1          2HA       GLY   1  -7.398  -1.514  -5.318
    5   2HA   GLY   1          1HA       GLY   1  -7.038   0.207  -5.454
    6    H    ASN   2           H        ASN   2  -5.440  -1.482  -3.877
    7    HA   ASN   2           HA       ASN   2  -6.226  -0.813  -1.090
    8   1HB   ASN   2          2HB       ASN   2  -4.567  -2.940  -2.400
    9   2HB   ASN   2          1HB       ASN   2  -4.191  -2.478  -0.736
   10   1HD2  ASN   2          1HD2      ASN   2  -5.801  -2.897   0.910
   11   2HD2  ASN   2          2HD2      ASN   2  -7.120  -3.930   0.628
   12    H    LEU   3           H        LEU   3  -5.528   1.385  -1.427
   13    HA   LEU   3           HA       LEU   3  -2.968   2.323  -2.225
   14   1HB   LEU   3          2HB       LEU   3  -5.234   3.202  -0.540
   15   2HB   LEU   3          1HB       LEU   3  -3.686   3.871  -0.022
   16    HG   LEU   3           HG       LEU   3  -4.089   3.927  -2.936
   17   1HD1  LEU   3          1HD1      LEU   3  -6.074   4.985  -3.034
   18   2HD1  LEU   3          2HD1      LEU   3  -5.546   6.161  -1.831
   19   3HD1  LEU   3          3HD1      LEU   3  -6.294   4.649  -1.317
   20   1HD2  LEU   3          1HD2      LEU   3  -2.885   5.905  -2.746
   21   2HD2  LEU   3          2HD2      LEU   3  -2.346   5.073  -1.288
   22   3HD2  LEU   3          3HD2      LEU   3  -3.598   6.310  -1.185
   23    H    TRP   4           H        TRP   4  -4.235   0.692   0.482
   24    HA   TRP   4           HA       TRP   4  -2.653   0.630   2.631
   25   1HB   TRP   4          2HB       TRP   4  -4.163  -1.122   0.911
   26   2HB   TRP   4          1HB       TRP   4  -2.892  -2.006   1.677
   27    HD1  TRP   4           HD1      TRP   4  -3.059  -2.308   4.273
   28    HE1  TRP   4           HE1      TRP   4  -5.036  -1.869   5.915
   29    HE3  TRP   4           HE3      TRP   4  -5.917   0.287   1.212
   30    HZ2  TRP   4           HZ2      TRP   4  -7.618  -0.498   5.827
   31    HZ3  TRP   4           HZ3      TRP   4  -8.166   1.204   1.901
   32    HH2  TRP   4           HH2      TRP   4  -9.007   0.801   4.212
   33    H    ALA   5           H        ALA   5  -2.027  -1.604   0.036
   34    HA   ALA   5           HA       ALA   5   0.521  -2.456   0.605
   35   1HB   ALA   5          1HB       ALA   5   0.468  -2.694  -2.020
   36   2HB   ALA   5          2HB       ALA   5  -1.150  -2.011  -1.849
   37   3HB   ALA   5          3HB       ALA   5  -0.745  -3.529  -1.046
   38    H    THR   6           H        THR   6  -0.409   0.658  -0.665
   39    HA   THR   6           HA       THR   6   2.154   1.356  -1.836
   40    HB   THR   6           HB       THR   6   0.110   3.288  -0.777
   41    HG1  THR   6          1HG       THR   6  -0.197   1.730  -3.123
   42   1HG2  THR   6          1HG2      THR   6   1.430   3.175  -3.484
   43   2HG2  THR   6          2HG2      THR   6   2.234   3.893  -2.088
   44   3HG2  THR   6          3HG2      THR   6   0.713   4.568  -2.674
   45    H    GLY   7           H        GLY   7   1.000   0.998   1.338
   46   1HA   GLY   7          2HA       GLY   7   3.065   2.877   2.378
   47   2HA   GLY   7          1HA       GLY   7   1.631   2.399   3.284
   48    H    HIS   8           H        HIS   8   2.333  -0.380   1.891
   49    HA   HIS   8           HA       HIS   8   3.824  -1.380   4.244
   50   1HB   HIS   8          2HB       HIS   8   1.882  -2.610   3.570
   51   2HB   HIS   8          1HB       HIS   8   2.387  -2.609   1.879
   52    HD1  HIS   8           HD1      HIS   8   2.311  -4.789   4.683
   53    HD2  HIS   8           HD2      HIS   8   5.140  -4.015   1.720
   54    HE1  HIS   8           HE1      HIS   8   3.878  -6.779   4.651
   55    H    PHE   9           H        PHE   9   4.341  -0.719   0.842
   56    HA   PHE   9           HA       PHE   9   6.906  -2.215   0.815
   57   1HB   PHE   9          2HB       PHE   9   5.120  -0.832  -1.174
   58   2HB   PHE   9          1HB       PHE   9   6.779  -1.235  -1.616
   59    HD1  PHE   9           HD1      PHE   9   3.544  -2.399  -1.852
   60    HD2  PHE   9           HD2      PHE   9   7.445  -3.742  -0.654
   61    HE1  PHE   9           HE1      PHE   9   2.865  -4.747  -2.271
   62    HE2  PHE   9           HE2      PHE   9   6.764  -6.090  -1.073
   63    HZ   PHE   9           HZ       PHE   9   4.474  -6.592  -1.881
   64    H    MET  10           H        MET  10   5.664   1.096   0.749
   65    HA   MET  10           HA       MET  10   8.466   2.142   0.716
   66   1HB   MET  10          2HB       MET  10   6.444   2.800  -0.883
   67   2HB   MET  10          1HB       MET  10   5.993   3.827   0.480
   68   1HG   MET  10          2HG       MET  10   8.151   4.934   0.433
   69   2HG   MET  10          1HG       MET  10   8.738   3.822  -0.804
   70   1HE   MET  10          1HE       MET  10   8.728   7.259  -1.652
   71   2HE   MET  10          2HE       MET  10   8.818   6.389  -3.182
   72   3HE   MET  10          3HE       MET  10   9.574   5.707  -1.744
   73   1HN   NH2  11          1HN       NH2  11   5.584   1.781   2.666
   74   2HN   NH2  11          2HN       NH2  11   6.126   2.659   4.006
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -9.288   0.355  -5.624
    2   2H    GLY   1          2H        GLY   1  -9.289  -0.134  -3.997
    3   3H    GLY   1          3H        GLY   1  -9.169  -1.292  -5.233
    4   1HA   GLY   1          2HA       GLY   1  -6.979  -1.014  -5.484
    5   2HA   GLY   1          1HA       GLY   1  -7.120   0.736  -5.322
    6    H    ASN   2           H        ASN   2  -5.219  -1.131  -3.992
    7    HA   ASN   2           HA       ASN   2  -6.011  -0.769  -1.151
    8   1HB   ASN   2          2HB       ASN   2  -4.257  -2.673  -2.664
    9   2HB   ASN   2          1HB       ASN   2  -3.885  -2.345  -0.968
   10   1HD2  ASN   2          1HD2      ASN   2  -5.441  -3.007   0.647
   11   2HD2  ASN   2          2HD2      ASN   2  -6.711  -4.076   0.281
   12    H    LEU   3           H        LEU   3  -5.435   1.488  -1.288
   13    HA   LEU   3           HA       LEU   3  -2.951   2.646  -2.006
   14   1HB   LEU   3          2HB       LEU   3  -5.027   3.149   0.142
   15   2HB   LEU   3          1HB       LEU   3  -3.581   4.152   0.059
   16    HG   LEU   3           HG       LEU   3  -5.632   5.015  -1.209
   17   1HD1  LEU   3          1HD1      LEU   3  -3.447   5.944  -1.659
   18   2HD1  LEU   3          2HD1      LEU   3  -4.229   5.646  -3.212
   19   3HD1  LEU   3          3HD1      LEU   3  -2.993   4.536  -2.619
   20   1HD2  LEU   3          1HD2      LEU   3  -6.348   2.870  -2.161
   21   2HD2  LEU   3          2HD2      LEU   3  -4.821   2.727  -3.032
   22   3HD2  LEU   3          3HD2      LEU   3  -5.962   4.003  -3.457
   23    H    TRP   4           H        TRP   4  -4.080   0.696   0.546
   24    HA   TRP   4           HA       TRP   4  -2.458   0.511   2.655
   25   1HB   TRP   4          2HB       TRP   4  -3.913  -1.146   0.800
   26   2HB   TRP   4          1HB       TRP   4  -2.584  -2.033   1.460
   27    HD1  TRP   4           HD1      TRP   4  -2.682  -2.574   4.023
   28    HE1  TRP   4           HE1      TRP   4  -4.648  -2.398   5.725
   29    HE3  TRP   4           HE3      TRP   4  -5.733   0.123   1.253
   30    HZ2  TRP   4           HZ2      TRP   4  -7.303  -1.170   5.800
   31    HZ3  TRP   4           HZ3      TRP   4  -8.016   0.847   2.052
   32    HH2  TRP   4           HH2      TRP   4  -8.790   0.190   4.329
   33    H    ALA   5           H        ALA   5  -1.772  -1.436  -0.149
   34    HA   ALA   5           HA       ALA   5   0.840  -2.187   0.322
   35   1HB   ALA   5          1HB       ALA   5   0.745  -2.348  -2.273
   36   2HB   ALA   5          2HB       ALA   5  -0.866  -1.649  -2.103
   37   3HB   ALA   5          3HB       ALA   5  -0.493  -3.199  -1.348
   38    H    THR   6           H        THR   6  -0.301   0.948  -0.669
   39    HA   THR   6           HA       THR   6   2.172   1.866  -1.891
   40    HB   THR   6           HB       THR   6   0.054   3.595  -0.638
   41    HG1  THR   6          1HG       THR   6  -1.031   3.173  -2.763
   42   1HG2  THR   6          1HG2      THR   6   0.866   5.149  -2.053
   43   2HG2  THR   6          2HG2      THR   6   0.839   4.027  -3.416
   44   3HG2  THR   6          3HG2      THR   6   2.216   4.044  -2.313
   45    H    GLY   7           H        GLY   7   1.170   1.223   1.286
   46   1HA   GLY   7          2HA       GLY   7   3.263   3.060   2.354
   47   2HA   GLY   7          1HA       GLY   7   1.800   2.666   3.255
   48    H    HIS   8           H        HIS   8   2.298  -0.150   1.885
   49    HA   HIS   8           HA       HIS   8   3.758  -1.233   4.218
   50   1HB   HIS   8          2HB       HIS   8   1.691  -2.290   3.541
   51   2HB   HIS   8          1HB       HIS   8   2.252  -2.426   1.874
   52    HD1  HIS   8           HD1      HIS   8   1.925  -4.411   4.813
   53    HD2  HIS   8           HD2      HIS   8   4.860  -4.075   1.872
   54    HE1  HIS   8           HE1      HIS   8   3.315  -6.523   4.944
   55    H    PHE   9           H        PHE   9   4.166  -0.846   0.732
   56    HA   PHE   9           HA       PHE   9   6.718  -2.365   0.779
   57   1HB   PHE   9          2HB       PHE   9   4.859  -1.209  -1.286
   58   2HB   PHE   9          1HB       PHE   9   6.499  -1.667  -1.743
   59    HD1  PHE   9           HD1      PHE   9   3.199  -2.831  -1.463
   60    HD2  PHE   9           HD2      PHE   9   7.260  -4.055  -0.779
   61    HE1  PHE   9           HE1      PHE   9   2.503  -5.209  -1.582
   62    HE2  PHE   9           HE2      PHE   9   6.563  -6.433  -0.898
   63    HZ   PHE   9           HZ       PHE   9   4.184  -7.009  -1.300
   64    H    MET  10           H        MET  10   5.490   0.927   0.386
   65    HA   MET  10           HA       MET  10   8.292   1.937   0.115
   66   1HB   MET  10          2HB       MET  10   5.805   2.500  -1.147
   67   2HB   MET  10          1HB       MET  10   6.216   3.920  -0.184
   68   1HG   MET  10          2HG       MET  10   8.317   4.182  -1.282
   69   2HG   MET  10          1HG       MET  10   8.214   2.581  -2.015
   70   1HE   MET  10          1HE       MET  10   6.935   6.549  -3.323
   71   2HE   MET  10          2HE       MET  10   7.399   5.993  -1.716
   72   3HE   MET  10          3HE       MET  10   5.696   6.044  -2.165
   73   1HN   NH2  11          1HN       NH2  11   5.491   1.832   2.211
   74   2HN   NH2  11          2HN       NH2  11   6.096   2.848   3.420
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -8.957   0.367  -4.000
    2   2H    GLY   1          2H        GLY   1  -8.820   0.738  -5.651
    3   3H    GLY   1          3H        GLY   1  -9.427   1.895  -4.566
    4   1HA   GLY   1          2HA       GLY   1  -6.700   1.210  -5.200
    5   2HA   GLY   1          1HA       GLY   1  -7.359   2.704  -4.534
    6    H    ASN   2           H        ASN   2  -5.337   0.232  -3.782
    7    HA   ASN   2           HA       ASN   2  -6.046   0.230  -0.896
    8   1HB   ASN   2          2HB       ASN   2  -4.624  -1.642  -2.759
    9   2HB   ASN   2          1HB       ASN   2  -4.203  -1.672  -1.043
   10   1HD2  ASN   2          1HD2      ASN   2  -5.843  -2.349   0.480
   11   2HD2  ASN   2          2HD2      ASN   2  -7.268  -3.124  -0.025
   12    H    LEU   3           H        LEU   3  -5.114   2.356  -0.672
   13    HA   LEU   3           HA       LEU   3  -2.469   3.197  -1.270
   14   1HB   LEU   3          2HB       LEU   3  -4.505   3.730   0.886
   15   2HB   LEU   3          1HB       LEU   3  -2.870   4.353   1.121
   16    HG   LEU   3           HG       LEU   3  -3.379   5.048  -1.495
   17   1HD1  LEU   3          1HD1      LEU   3  -5.939   5.058   0.097
   18   2HD1  LEU   3          2HD1      LEU   3  -5.674   4.537  -1.568
   19   3HD1  LEU   3          3HD1      LEU   3  -5.666   6.255  -1.170
   20   1HD2  LEU   3          1HD2      LEU   3  -4.046   6.728   0.942
   21   2HD2  LEU   3          2HD2      LEU   3  -3.524   7.312  -0.638
   22   3HD2  LEU   3          3HD2      LEU   3  -2.402   6.415   0.386
   23    H    TRP   4           H        TRP   4  -3.903   1.053   0.957
   24    HA   TRP   4           HA       TRP   4  -2.332   0.262   2.962
   25   1HB   TRP   4          2HB       TRP   4  -4.041  -0.803   0.913
   26   2HB   TRP   4          1HB       TRP   4  -2.847  -1.983   1.329
   27    HD1  TRP   4           HD1      TRP   4  -2.941  -2.942   3.781
   28    HE1  TRP   4           HE1      TRP   4  -4.833  -2.830   5.568
   29    HE3  TRP   4           HE3      TRP   4  -5.674   0.546   1.644
   30    HZ2  TRP   4           HZ2      TRP   4  -7.309  -1.320   5.962
   31    HZ3  TRP   4           HZ3      TRP   4  -7.831   1.394   2.648
   32    HH2  TRP   4           HH2      TRP   4  -8.639   0.447   4.808
   33    H    ALA   5           H        ALA   5  -1.962  -1.173  -0.186
   34    HA   ALA   5           HA       ALA   5   0.621  -2.274   0.186
   35   1HB   ALA   5          1HB       ALA   5  -1.288  -1.662  -2.056
   36   2HB   ALA   5          2HB       ALA   5  -0.887  -3.227  -1.350
   37   3HB   ALA   5          3HB       ALA   5   0.270  -2.412  -2.403
   38    H    THR   6           H        THR   6  -0.416   0.908  -0.777
   39    HA   THR   6           HA       THR   6   2.077   1.624  -2.136
   40    HB   THR   6           HB       THR   6  -0.432   3.015  -1.199
   41    HG1  THR   6          1HG       THR   6  -0.922   2.935  -3.273
   42   1HG2  THR   6          1HG2      THR   6   1.231   4.692  -0.883
   43   2HG2  THR   6          2HG2      THR   6   0.507   5.025  -2.457
   44   3HG2  THR   6          3HG2      THR   6   2.078   4.228  -2.359
   45    H    GLY   7           H        GLY   7   1.138   1.165   1.063
   46   1HA   GLY   7          2HA       GLY   7   3.287   3.010   2.008
   47   2HA   GLY   7          1HA       GLY   7   1.804   2.761   2.929
   48    H    HIS   8           H        HIS   8   2.252  -0.172   1.691
   49    HA   HIS   8           HA       HIS   8   3.499  -1.198   4.157
   50   1HB   HIS   8          2HB       HIS   8   1.535  -2.301   3.322
   51   2HB   HIS   8          1HB       HIS   8   2.211  -2.408   1.698
   52    HD1  HIS   8           HD1      HIS   8   1.767  -4.387   4.658
   53    HD2  HIS   8           HD2      HIS   8   4.767  -4.079   1.779
   54    HE1  HIS   8           HE1      HIS   8   3.152  -6.500   4.837
   55    H    PHE   9           H        PHE   9   4.316  -0.773   0.763
   56    HA   PHE   9           HA       PHE   9   6.809  -2.359   1.060
   57   1HB   PHE   9          2HB       PHE   9   5.236  -1.089  -1.170
   58   2HB   PHE   9          1HB       PHE   9   6.909  -1.576  -1.444
   59    HD1  PHE   9           HD1      PHE   9   3.724  -2.662  -1.978
   60    HD2  PHE   9           HD2      PHE   9   7.344  -4.011  -0.102
   61    HE1  PHE   9           HE1      PHE   9   2.994  -5.015  -2.262
   62    HE2  PHE   9           HE2      PHE   9   6.615  -6.364  -0.385
   63    HZ   PHE   9           HZ       PHE   9   4.439  -6.866  -1.464
   64    H    MET  10           H        MET  10   5.709   0.973   0.639
   65    HA   MET  10           HA       MET  10   8.543   1.922   0.740
   66   1HB   MET  10          2HB       MET  10   7.236   2.687  -1.168
   67   2HB   MET  10          1HB       MET  10   5.919   3.195  -0.109
   68   1HG   MET  10          2HG       MET  10   7.241   4.950   0.843
   69   2HG   MET  10          1HG       MET  10   8.717   4.328   0.104
   70   1HE   MET  10          1HE       MET  10   6.003   7.355  -0.877
   71   2HE   MET  10          2HE       MET  10   7.714   7.768  -0.950
   72   3HE   MET  10          3HE       MET  10   7.091   6.869   0.431
   73   1HN   NH2  11          1HN       NH2  11   5.508   1.817   2.482
   74   2HN   NH2  11          2HN       NH2  11   5.984   2.778   3.790
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -6.474   0.863  -6.393
    2   2H    GLY   1          2H        GLY   1  -6.821   1.564  -4.886
    3   3H    GLY   1          3H        GLY   1  -8.071   1.279  -6.001
    4   1HA   GLY   1          2HA       GLY   1  -8.425  -0.705  -5.122
    5   2HA   GLY   1          1HA       GLY   1  -6.781  -1.156  -5.577
    6    H    ASN   2           H        ASN   2  -5.294  -1.417  -3.947
    7    HA   ASN   2           HA       ASN   2  -6.178  -0.748  -1.190
    8   1HB   ASN   2          2HB       ASN   2  -4.499  -2.894  -2.445
    9   2HB   ASN   2          1HB       ASN   2  -4.183  -2.444  -0.766
   10   1HD2  ASN   2          1HD2      ASN   2  -5.852  -2.861   0.816
   11   2HD2  ASN   2          2HD2      ASN   2  -7.177  -3.868   0.476
   12    H    LEU   3           H        LEU   3  -5.435   1.441  -1.489
   13    HA   LEU   3           HA       LEU   3  -2.832   2.344  -2.179
   14   1HB   LEU   3          2HB       LEU   3  -5.041   3.221  -0.330
   15   2HB   LEU   3          1HB       LEU   3  -3.480   4.028  -0.186
   16    HG   LEU   3           HG       LEU   3  -3.869   3.979  -2.917
   17   1HD1  LEU   3          1HD1      LEU   3  -6.113   4.527  -3.417
   18   2HD1  LEU   3          2HD1      LEU   3  -6.509   4.823  -1.724
   19   3HD1  LEU   3          3HD1      LEU   3  -6.250   3.173  -2.295
   20   1HD2  LEU   3          1HD2      LEU   3  -4.572   6.420  -2.525
   21   2HD2  LEU   3          2HD2      LEU   3  -3.040   5.921  -1.808
   22   3HD2  LEU   3          3HD2      LEU   3  -4.483   6.053  -0.803
   23    H    TRP   4           H        TRP   4  -4.229   0.719   0.467
   24    HA   TRP   4           HA       TRP   4  -2.731   0.620   2.674
   25   1HB   TRP   4          2HB       TRP   4  -4.206  -1.098   0.891
   26   2HB   TRP   4          1HB       TRP   4  -2.978  -2.007   1.698
   27    HD1  TRP   4           HD1      TRP   4  -3.239  -2.310   4.287
   28    HE1  TRP   4           HE1      TRP   4  -5.268  -1.851   5.858
   29    HE3  TRP   4           HE3      TRP   4  -5.951   0.327   1.133
   30    HZ2  TRP   4           HZ2      TRP   4  -7.829  -0.447   5.681
   31    HZ3  TRP   4           HZ3      TRP   4  -8.213   1.271   1.742
   32    HH2  TRP   4           HH2      TRP   4  -9.142   0.873   4.020
   33    H    ALA   5           H        ALA   5  -2.047  -1.607   0.088
   34    HA   ALA   5           HA       ALA   5   0.486  -2.472   0.776
   35   1HB   ALA   5          1HB       ALA   5  -0.968  -3.497  -0.849
   36   2HB   ALA   5          2HB       ALA   5   0.503  -3.031  -1.705
   37   3HB   ALA   5          3HB       ALA   5  -0.954  -2.047  -1.851
   38    H    THR   6           H        THR   6  -0.398   0.611  -0.559
   39    HA   THR   6           HA       THR   6   2.160   1.243  -1.782
   40    HB   THR   6           HB       THR   6   0.170   3.237  -0.743
   41    HG1  THR   6          1HG       THR   6  -0.247   1.734  -3.095
   42   1HG2  THR   6          1HG2      THR   6   2.027   2.936  -3.071
   43   2HG2  THR   6          2HG2      THR   6   1.817   4.305  -1.980
   44   3HG2  THR   6          3HG2      THR   6   0.616   3.981  -3.229
   45    H    GLY   7           H        GLY   7   1.029   0.990   1.415
   46   1HA   GLY   7          2HA       GLY   7   3.116   2.877   2.391
   47   2HA   GLY   7          1HA       GLY   7   1.709   2.384   3.333
   48    H    HIS   8           H        HIS   8   2.404  -0.398   1.960
   49    HA   HIS   8           HA       HIS   8   3.981  -1.350   4.276
   50   1HB   HIS   8          2HB       HIS   8   2.033  -2.610   3.685
   51   2HB   HIS   8          1HB       HIS   8   2.478  -2.625   1.978
   52    HD1  HIS   8           HD1      HIS   8   2.622  -4.695   4.906
   53    HD2  HIS   8           HD2      HIS   8   5.141  -4.078   1.643
   54    HE1  HIS   8           HE1      HIS   8   4.182  -6.689   4.819
   55    H    PHE   9           H        PHE   9   4.371  -0.759   0.840
   56    HA   PHE   9           HA       PHE   9   6.917  -2.258   0.708
   57   1HB   PHE   9          2HB       PHE   9   5.119  -0.745  -1.175
   58   2HB   PHE   9          1HB       PHE   9   6.755  -1.176  -1.675
   59    HD1  PHE   9           HD1      PHE   9   3.599  -2.212  -2.171
   60    HD2  PHE   9           HD2      PHE   9   7.254  -3.765  -0.536
   61    HE1  PHE   9           HE1      PHE   9   2.840  -4.521  -2.667
   62    HE2  PHE   9           HE2      PHE   9   6.496  -6.073  -1.033
   63    HZ   PHE   9           HZ       PHE   9   4.289  -6.451  -2.098
   64    H    MET  10           H        MET  10   5.763   1.084   0.811
   65    HA   MET  10           HA       MET  10   8.590   2.057   0.747
   66   1HB   MET  10          2HB       MET  10   6.017   2.935  -0.291
   67   2HB   MET  10          1HB       MET  10   6.760   4.199   0.691
   68   1HG   MET  10          2HG       MET  10   8.931   3.512  -0.675
   69   2HG   MET  10          1HG       MET  10   7.740   2.946  -1.845
   70   1HE   MET  10          1HE       MET  10   9.022   6.086  -3.390
   71   2HE   MET  10          2HE       MET  10   9.578   4.538  -2.763
   72   3HE   MET  10          3HE       MET  10   9.926   6.017  -1.871
   73   1HN   NH2  11          1HN       NH2  11   5.743   1.699   2.754
   74   2HN   NH2  11          2HN       NH2  11   6.346   2.501   4.115
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -7.596   1.229  -4.643
    2   2H    GLY   1          2H        GLY   1  -8.799   0.675  -5.707
    3   3H    GLY   1          3H        GLY   1  -7.164   0.636  -6.172
    4   1HA   GLY   1          2HA       GLY   1  -8.660  -1.334  -4.830
    5   2HA   GLY   1          1HA       GLY   1  -6.989  -1.414  -5.393
    6    H    ASN   2           H        ASN   2  -5.550  -1.764  -3.780
    7    HA   ASN   2           HA       ASN   2  -6.281  -0.945  -1.018
    8   1HB   ASN   2          2HB       ASN   2  -4.669  -3.156  -2.245
    9   2HB   ASN   2          1HB       ASN   2  -4.261  -2.615  -0.612
   10   1HD2  ASN   2          1HD2      ASN   2  -5.837  -2.945   1.081
   11   2HD2  ASN   2          2HD2      ASN   2  -7.176  -3.968   0.871
   12    H    LEU   3           H        LEU   3  -5.564   1.225  -1.483
   13    HA   LEU   3           HA       LEU   3  -3.003   2.086  -2.363
   14   1HB   LEU   3          2HB       LEU   3  -5.119   3.071  -0.462
   15   2HB   LEU   3          1HB       LEU   3  -3.553   3.883  -0.438
   16    HG   LEU   3           HG       LEU   3  -3.979   3.766  -3.113
   17   1HD1  LEU   3          1HD1      LEU   3  -6.719   4.369  -2.003
   18   2HD1  LEU   3          2HD1      LEU   3  -6.280   2.736  -2.506
   19   3HD1  LEU   3          3HD1      LEU   3  -6.254   4.056  -3.676
   20   1HD2  LEU   3          1HD2      LEU   3  -5.316   5.960  -1.553
   21   2HD2  LEU   3          2HD2      LEU   3  -4.282   6.081  -2.976
   22   3HD2  LEU   3          3HD2      LEU   3  -3.575   5.725  -1.400
   23    H    TRP   4           H        TRP   4  -4.253   0.616   0.443
   24    HA   TRP   4           HA       TRP   4  -2.645   0.648   2.573
   25   1HB   TRP   4          2HB       TRP   4  -4.192  -1.175   0.963
   26   2HB   TRP   4          1HB       TRP   4  -2.920  -2.031   1.759
   27    HD1  TRP   4           HD1      TRP   4  -3.061  -2.202   4.367
   28    HE1  TRP   4           HE1      TRP   4  -5.012  -1.660   6.008
   29    HE3  TRP   4           HE3      TRP   4  -5.927   0.271   1.214
   30    HZ2  TRP   4           HZ2      TRP   4  -7.580  -0.263   5.883
   31    HZ3  TRP   4           HZ3      TRP   4  -8.158   1.247   1.882
   32    HH2  TRP   4           HH2      TRP   4  -8.974   0.969   4.221
   33    H    ALA   5           H        ALA   5  -2.070  -1.726   0.091
   34    HA   ALA   5           HA       ALA   5   0.462  -2.591   0.660
   35   1HB   ALA   5          1HB       ALA   5  -0.548  -3.764  -1.017
   36   2HB   ALA   5          2HB       ALA   5   0.302  -2.641  -2.082
   37   3HB   ALA   5          3HB       ALA   5  -1.375  -2.334  -1.631
   38    H    THR   6           H        THR   6  -0.419   0.493  -0.737
   39    HA   THR   6           HA       THR   6   2.178   1.117  -1.877
   40    HB   THR   6           HB       THR   6   0.127   3.108  -0.947
   41    HG1  THR   6          1HG       THR   6  -1.036   2.568  -2.881
   42   1HG2  THR   6          1HG2      THR   6   0.894   3.384  -3.664
   43   2HG2  THR   6          2HG2      THR   6   2.358   3.033  -2.744
   44   3HG2  THR   6          3HG2      THR   6   1.349   4.410  -2.303
   45    H    GLY   7           H        GLY   7   0.957   0.890   1.280
   46   1HA   GLY   7          2HA       GLY   7   2.998   2.808   2.294
   47   2HA   GLY   7          1HA       GLY   7   1.550   2.350   3.189
   48    H    HIS   8           H        HIS   8   2.329  -0.462   1.872
   49    HA   HIS   8           HA       HIS   8   3.747  -1.389   4.298
   50   1HB   HIS   8          2HB       HIS   8   1.863  -2.677   3.596
   51   2HB   HIS   8          1HB       HIS   8   2.395  -2.673   1.915
   52    HD1  HIS   8           HD1      HIS   8   2.378  -4.791   4.799
   53    HD2  HIS   8           HD2      HIS   8   5.117  -4.077   1.737
   54    HE1  HIS   8           HE1      HIS   8   3.969  -6.762   4.785
   55    H    PHE   9           H        PHE   9   4.396  -0.748   0.920
   56    HA   PHE   9           HA       PHE   9   6.897  -2.305   0.886
   57   1HB   PHE   9          2HB       PHE   9   5.338  -0.544  -0.998
   58   2HB   PHE   9          1HB       PHE   9   6.984  -1.034  -1.401
   59    HD1  PHE   9           HD1      PHE   9   7.271  -3.725  -0.495
   60    HD2  PHE   9           HD2      PHE   9   3.802  -1.837  -2.185
   61    HE1  PHE   9           HE1      PHE   9   6.431  -5.936  -1.243
   62    HE2  PHE   9           HE2      PHE   9   2.963  -4.047  -2.934
   63    HZ   PHE   9           HZ       PHE   9   4.277  -6.097  -2.463
   64    H    MET  10           H        MET  10   5.880   1.072   1.171
   65    HA   MET  10           HA       MET  10   8.739   1.905   1.434
   66   1HB   MET  10          2HB       MET  10   7.217   2.976  -0.271
   67   2HB   MET  10          1HB       MET  10   6.214   3.551   1.062
   68   1HG   MET  10          2HG       MET  10   8.949   4.207   1.624
   69   2HG   MET  10          1HG       MET  10   8.557   4.764  -0.003
   70   1HE   MET  10          1HE       MET  10   7.185   4.925   3.858
   71   2HE   MET  10          2HE       MET  10   7.677   6.617   3.878
   72   3HE   MET  10          3HE       MET  10   8.821   5.381   3.363
   73   1HN   NH2  11          1HN       NH2  11   5.720   1.513   3.153
   74   2HN   NH2  11          2HN       NH2  11   6.223   2.184   4.621
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -9.532   1.149  -4.571
    2   2H    GLY   1          2H        GLY   1  -9.379  -0.480  -4.110
    3   3H    GLY   1          3H        GLY   1  -9.385  -0.057  -5.756
    4   1HA   GLY   1          2HA       GLY   1  -7.154  -0.362  -5.409
    5   2HA   GLY   1          1HA       GLY   1  -7.331   1.370  -5.119
    6    H    ASN   2           H        ASN   2  -5.450  -0.699  -3.937
    7    HA   ASN   2           HA       ASN   2  -6.180  -0.420  -1.069
    8   1HB   ASN   2          2HB       ASN   2  -4.562  -2.353  -2.693
    9   2HB   ASN   2          1HB       ASN   2  -4.147  -2.123  -0.990
   10   1HD2  ASN   2          1HD2      ASN   2  -5.721  -2.757   0.619
   11   2HD2  ASN   2          2HD2      ASN   2  -7.054  -3.735   0.231
   12    H    LEU   3           H        LEU   3  -5.479   1.807  -1.128
   13    HA   LEU   3           HA       LEU   3  -2.938   2.848  -1.829
   14   1HB   LEU   3          2HB       LEU   3  -4.960   3.384   0.363
   15   2HB   LEU   3          1HB       LEU   3  -3.460   4.307   0.298
   16    HG   LEU   3           HG       LEU   3  -5.473   5.332  -0.908
   17   1HD1  LEU   3          1HD1      LEU   3  -3.442   6.326  -1.471
   18   2HD1  LEU   3          2HD1      LEU   3  -3.977   5.724  -3.040
   19   3HD1  LEU   3          3HD1      LEU   3  -2.772   4.827  -2.117
   20   1HD2  LEU   3          1HD2      LEU   3  -4.814   3.076  -2.828
   21   2HD2  LEU   3          2HD2      LEU   3  -5.887   4.429  -3.188
   22   3HD2  LEU   3          3HD2      LEU   3  -6.321   3.270  -1.932
   23    H    TRP   4           H        TRP   4  -4.155   0.864   0.656
   24    HA   TRP   4           HA       TRP   4  -2.531   0.502   2.739
   25   1HB   TRP   4          2HB       TRP   4  -4.085  -0.994   0.828
   26   2HB   TRP   4          1HB       TRP   4  -2.804  -1.979   1.441
   27    HD1  TRP   4           HD1      TRP   4  -2.920  -2.622   3.980
   28    HE1  TRP   4           HE1      TRP   4  -4.868  -2.416   5.699
   29    HE3  TRP   4           HE3      TRP   4  -5.832   0.352   1.346
   30    HZ2  TRP   4           HZ2      TRP   4  -7.453  -1.052   5.841
   31    HZ3  TRP   4           HZ3      TRP   4  -8.071   1.162   2.190
   32    HH2  TRP   4           HH2      TRP   4  -8.871   0.448   4.441
   33    H    ALA   5           H        ALA   5  -1.968  -1.366  -0.144
   34    HA   ALA   5           HA       ALA   5   0.619  -2.247   0.298
   35   1HB   ALA   5          1HB       ALA   5  -0.492  -3.300  -1.408
   36   2HB   ALA   5          2HB       ALA   5   0.365  -2.125  -2.407
   37   3HB   ALA   5          3HB       ALA   5  -1.301  -1.819  -1.917
   38    H    THR   6           H        THR   6  -0.404   0.940  -0.618
   39    HA   THR   6           HA       THR   6   2.088   1.747  -1.898
   40    HB   THR   6           HB       THR   6  -0.067   3.472  -0.671
   41    HG1  THR   6          1HG       THR   6  -1.229   2.076  -1.862
   42   1HG2  THR   6          1HG2      THR   6   0.595   5.074  -2.234
   43   2HG2  THR   6          2HG2      THR   6   1.323   3.872  -3.301
   44   3HG2  THR   6          3HG2      THR   6   2.128   4.321  -1.796
   45    H    GLY   7           H        GLY   7   1.133   1.136   1.285
   46   1HA   GLY   7          2HA       GLY   7   3.237   2.982   2.320
   47   2HA   GLY   7          1HA       GLY   7   1.790   2.580   3.243
   48    H    HIS   8           H        HIS   8   2.311  -0.230   1.838
   49    HA   HIS   8           HA       HIS   8   3.741  -1.330   4.175
   50   1HB   HIS   8          2HB       HIS   8   1.730  -2.420   3.369
   51   2HB   HIS   8          1HB       HIS   8   2.388  -2.517   1.735
   52    HD1  HIS   8           HD1      HIS   8   2.130  -4.422   4.811
   53    HD2  HIS   8           HD2      HIS   8   4.871  -4.213   1.677
   54    HE1  HIS   8           HE1      HIS   8   3.538  -6.523   4.950
   55    H    PHE   9           H        PHE   9   4.252  -0.902   0.701
   56    HA   PHE   9           HA       PHE   9   6.870  -2.293   0.837
   57   1HB   PHE   9          2HB       PHE   9   5.031  -1.220  -1.292
   58   2HB   PHE   9          1HB       PHE   9   6.704  -1.614  -1.690
   59    HD1  PHE   9           HD1      PHE   9   3.422  -2.943  -0.759
   60    HD2  PHE   9           HD2      PHE   9   7.544  -3.933  -1.452
   61    HE1  PHE   9           HE1      PHE   9   2.823  -5.345  -0.891
   62    HE2  PHE   9           HE2      PHE   9   6.945  -6.336  -1.585
   63    HZ   PHE   9           HZ       PHE   9   4.584  -7.042  -1.304
   64    H    MET  10           H        MET  10   5.499   0.933   0.419
   65    HA   MET  10           HA       MET  10   8.251   2.085   0.216
   66   1HB   MET  10          2HB       MET  10   5.629   2.619  -0.933
   67   2HB   MET  10          1HB       MET  10   6.283   4.063  -0.159
   68   1HG   MET  10          2HG       MET  10   7.727   2.354  -2.209
   69   2HG   MET  10          1HG       MET  10   7.001   3.931  -2.516
   70   1HE   MET  10          1HE       MET  10   9.739   6.187  -2.152
   71   2HE   MET  10          2HE       MET  10   8.076   5.826  -2.609
   72   3HE   MET  10          3HE       MET  10   9.403   4.976  -3.398
   73   1HN   NH2  11          1HN       NH2  11   5.488   1.731   2.299
   74   2HN   NH2  11          2HN       NH2  11   5.984   2.805   3.508
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  -7.896   3.419  -4.931
    2   2H    GLY   1          2H        GLY   1  -8.655   2.524  -3.703
    3   3H    GLY   1          3H        GLY   1  -8.998   2.195  -5.334
    4   1HA   GLY   1          2HA       GLY   1  -7.470   0.603  -5.221
    5   2HA   GLY   1          1HA       GLY   1  -6.295   1.919  -5.206
    6    H    ASN   2           H        ASN   2  -5.175   0.089  -3.882
    7    HA   ASN   2           HA       ASN   2  -6.012   0.198  -1.033
    8   1HB   ASN   2          2HB       ASN   2  -4.542  -1.760  -2.765
    9   2HB   ASN   2          1HB       ASN   2  -4.198  -1.735  -1.031
   10   1HD2  ASN   2          1HD2      ASN   2  -5.916  -2.331   0.439
   11   2HD2  ASN   2          2HD2      ASN   2  -7.330  -3.101  -0.102
   12    H    LEU   3           H        LEU   3  -5.055   2.315  -0.836
   13    HA   LEU   3           HA       LEU   3  -2.373   3.097  -1.343
   14   1HB   LEU   3          2HB       LEU   3  -4.477   3.721   0.727
   15   2HB   LEU   3          1HB       LEU   3  -2.847   4.352   0.970
   16    HG   LEU   3           HG       LEU   3  -4.557   4.784  -1.498
   17   1HD1  LEU   3          1HD1      LEU   3  -4.224   7.233  -0.609
   18   2HD1  LEU   3          2HD1      LEU   3  -3.924   6.434   0.934
   19   3HD1  LEU   3          3HD1      LEU   3  -5.469   6.213   0.113
   20   1HD2  LEU   3          1HD2      LEU   3  -2.412   4.918  -2.357
   21   2HD2  LEU   3          2HD2      LEU   3  -1.704   5.356  -0.802
   22   3HD2  LEU   3          3HD2      LEU   3  -2.580   6.563  -1.745
   23    H    TRP   4           H        TRP   4  -3.935   1.047   0.885
   24    HA   TRP   4           HA       TRP   4  -2.462   0.298   2.980
   25   1HB   TRP   4          2HB       TRP   4  -4.104  -0.806   0.899
   26   2HB   TRP   4          1HB       TRP   4  -2.944  -1.989   1.393
   27    HD1  TRP   4           HD1      TRP   4  -3.138  -2.866   3.874
   28    HE1  TRP   4           HE1      TRP   4  -5.098  -2.680   5.580
   29    HE3  TRP   4           HE3      TRP   4  -5.751   0.575   1.521
   30    HZ2  TRP   4           HZ2      TRP   4  -7.571  -1.137   5.829
   31    HZ3  TRP   4           HZ3      TRP   4  -7.938   1.473   2.412
   32    HH2  TRP   4           HH2      TRP   4  -8.839   0.604   4.568
   33    H    ALA   5           H        ALA   5  -1.987  -1.226  -0.112
   34    HA   ALA   5           HA       ALA   5   0.575  -2.342   0.413
   35   1HB   ALA   5          1HB       ALA   5   0.220  -2.422  -2.269
   36   2HB   ALA   5          2HB       ALA   5  -1.410  -1.973  -1.765
   37   3HB   ALA   5          3HB       ALA   5  -0.677  -3.459  -1.158
   38    H    THR   6           H        THR   6  -0.399   0.805  -0.681
   39    HA   THR   6           HA       THR   6   2.103   1.430  -2.073
   40    HB   THR   6           HB       THR   6  -0.382   2.894  -1.184
   41    HG1  THR   6          1HG       THR   6   0.799   2.305  -3.693
   42   1HG2  THR   6          1HG2      THR   6   0.715   4.767  -2.682
   43   2HG2  THR   6          2HG2      THR   6   2.219   4.000  -2.171
   44   3HG2  THR   6          3HG2      THR   6   1.109   4.657  -0.967
   45    H    GLY   7           H        GLY   7   1.166   1.108   1.144
   46   1HA   GLY   7          2HA       GLY   7   3.314   2.988   2.020
   47   2HA   GLY   7          1HA       GLY   7   1.857   2.708   2.974
   48    H    HIS   8           H        HIS   8   2.304  -0.221   1.787
   49    HA   HIS   8           HA       HIS   8   3.670  -1.188   4.217
   50   1HB   HIS   8          2HB       HIS   8   1.702  -2.349   3.524
   51   2HB   HIS   8          1HB       HIS   8   2.253  -2.430   1.850
   52    HD1  HIS   8           HD1      HIS   8   2.029  -4.476   4.768
   53    HD2  HIS   8           HD2      HIS   8   4.882  -4.020   1.763
   54    HE1  HIS   8           HE1      HIS   8   3.473  -6.557   4.830
   55    H    PHE   9           H        PHE   9   4.389  -0.690   0.828
   56    HA   PHE   9           HA       PHE   9   6.849  -2.347   0.975
   57   1HB   PHE   9          2HB       PHE   9   5.248  -0.928  -1.142
   58   2HB   PHE   9          1HB       PHE   9   6.899  -1.442  -1.489
   59    HD1  PHE   9           HD1      PHE   9   3.643  -2.711  -0.149
   60    HD2  PHE   9           HD2      PHE   9   7.339  -3.663  -2.117
   61    HE1  PHE   9           HE1      PHE   9   2.844  -5.027  -0.527
   62    HE2  PHE   9           HE2      PHE   9   6.540  -5.979  -2.497
   63    HZ   PHE   9           HZ       PHE   9   4.293  -6.662  -1.701
   64    H    MET  10           H        MET  10   5.824   1.028   0.753
   65    HA   MET  10           HA       MET  10   8.682   1.901   0.814
   66   1HB   MET  10          2HB       MET  10   6.300   2.726  -0.556
   67   2HB   MET  10          1HB       MET  10   6.811   4.044   0.499
   68   1HG   MET  10          2HG       MET  10   8.460   4.562  -0.939
   69   2HG   MET  10          1HG       MET  10   9.145   2.949  -0.734
   70   1HE   MET  10          1HE       MET  10  10.071   3.013  -3.247
   71   2HE   MET  10          2HE       MET  10   9.152   1.807  -4.146
   72   3HE   MET  10          3HE       MET  10   9.554   1.518  -2.455
   73   1HN   NH2  11          1HN       NH2  11   5.697   1.788   2.639
   74   2HN   NH2  11          2HN       NH2  11   6.238   2.667   3.978
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -8.454   1.114  -4.051
    2   2H    GLY   1          2H        GLY   1  -9.714   0.175  -4.698
    3   3H    GLY   1          3H        GLY   1  -8.476   0.752  -5.709
    4   1HA   GLY   1          2HA       GLY   1  -8.555  -1.708  -4.590
    5   2HA   GLY   1          1HA       GLY   1  -7.106  -0.919  -5.215
    6    H    ASN   2           H        ASN   2  -5.655  -1.687  -3.653
    7    HA   ASN   2           HA       ASN   2  -6.242  -1.029  -0.815
    8   1HB   ASN   2          2HB       ASN   2  -4.605  -3.094  -2.246
    9   2HB   ASN   2          1HB       ASN   2  -4.114  -2.602  -0.621
   10   1HD2  ASN   2          1HD2      ASN   2  -5.557  -3.080   1.157
   11   2HD2  ASN   2          2HD2      ASN   2  -6.851  -4.167   0.990
   12    H    LEU   3           H        LEU   3  -5.670   1.197  -1.226
   13    HA   LEU   3           HA       LEU   3  -3.236   2.247  -2.228
   14   1HB   LEU   3          2HB       LEU   3  -5.159   2.994  -0.009
   15   2HB   LEU   3          1HB       LEU   3  -3.718   3.967  -0.294
   16    HG   LEU   3           HG       LEU   3  -5.846   4.716  -1.504
   17   1HD1  LEU   3          1HD1      LEU   3  -3.150   4.247  -2.675
   18   2HD1  LEU   3          2HD1      LEU   3  -4.015   5.762  -2.415
   19   3HD1  LEU   3          3HD1      LEU   3  -4.425   4.737  -3.791
   20   1HD2  LEU   3          1HD2      LEU   3  -6.335   3.477  -3.606
   21   2HD2  LEU   3          2HD2      LEU   3  -6.635   2.490  -2.175
   22   3HD2  LEU   3          3HD2      LEU   3  -5.172   2.241  -3.128
   23    H    TRP   4           H        TRP   4  -4.195   0.583   0.584
   24    HA   TRP   4           HA       TRP   4  -2.435   0.599   2.588
   25   1HB   TRP   4          2HB       TRP   4  -4.012  -1.226   1.009
   26   2HB   TRP   4          1HB       TRP   4  -2.644  -2.052   1.668
   27    HD1  TRP   4           HD1      TRP   4  -2.579  -2.341   4.270
   28    HE1  TRP   4           HE1      TRP   4  -4.426  -1.974   6.072
   29    HE3  TRP   4           HE3      TRP   4  -5.791   0.112   1.452
   30    HZ2  TRP   4           HZ2      TRP   4  -7.060  -0.708   6.199
   31    HZ3  TRP   4           HZ3      TRP   4  -8.010   0.941   2.326
   32    HH2  TRP   4           HH2      TRP   4  -8.634   0.520   4.702
   33    H    ALA   5           H        ALA   5  -1.940  -1.618  -0.050
   34    HA   ALA   5           HA       ALA   5   0.663  -2.390   0.294
   35   1HB   ALA   5          1HB       ALA   5  -0.511  -1.789  -2.410
   36   2HB   ALA   5          2HB       ALA   5  -1.302  -2.949  -1.343
   37   3HB   ALA   5          3HB       ALA   5   0.353  -3.233  -1.880
   38    H    THR   6           H        THR   6  -0.445   0.720  -0.857
   39    HA   THR   6           HA       THR   6   2.027   1.510  -2.161
   40    HB   THR   6           HB       THR   6  -0.035   3.353  -0.975
   41    HG1  THR   6          1HG       THR   6  -1.276   2.870  -2.896
   42   1HG2  THR   6          1HG2      THR   6   0.467   3.913  -3.669
   43   2HG2  THR   6          2HG2      THR   6   2.031   3.430  -3.009
   44   3HG2  THR   6          3HG2      THR   6   1.137   4.762  -2.275
   45    H    GLY   7           H        GLY   7   1.066   1.069   1.062
   46   1HA   GLY   7          2HA       GLY   7   3.255   2.868   1.985
   47   2HA   GLY   7          1HA       GLY   7   1.771   2.659   2.912
   48    H    HIS   8           H        HIS   8   2.154  -0.297   1.717
   49    HA   HIS   8           HA       HIS   8   3.309  -1.347   4.200
   50   1HB   HIS   8          2HB       HIS   8   1.427  -2.468   3.226
   51   2HB   HIS   8          1HB       HIS   8   2.198  -2.521   1.640
   52    HD1  HIS   8           HD1      HIS   8   1.474  -4.714   4.289
   53    HD2  HIS   8           HD2      HIS   8   4.923  -4.023   2.053
   54    HE1  HIS   8           HE1      HIS   8   2.924  -6.773   4.555
   55    H    PHE   9           H        PHE   9   4.382  -0.759   0.913
   56    HA   PHE   9           HA       PHE   9   6.797  -2.434   1.223
   57   1HB   PHE   9          2HB       PHE   9   5.505  -0.754  -0.915
   58   2HB   PHE   9          1HB       PHE   9   7.172  -1.296  -1.110
   59    HD1  PHE   9           HD1      PHE   9   3.887  -2.117  -1.878
   60    HD2  PHE   9           HD2      PHE   9   7.478  -3.904  -0.339
   61    HE1  PHE   9           HE1      PHE   9   3.078  -4.351  -2.586
   62    HE2  PHE   9           HE2      PHE   9   6.668  -6.139  -1.047
   63    HZ   PHE   9           HZ       PHE   9   4.469  -6.363  -2.170
   64    H    MET  10           H        MET  10   5.879   0.981   1.220
   65    HA   MET  10           HA       MET  10   8.725   1.744   1.729
   66   1HB   MET  10          2HB       MET  10   6.678   2.736   0.065
   67   2HB   MET  10          1HB       MET  10   6.815   3.909   1.377
   68   1HG   MET  10          2HG       MET  10   8.414   4.670  -0.167
   69   2HG   MET  10          1HG       MET  10   9.380   3.724   0.964
   70   1HE   MET  10          1HE       MET  10  11.404   1.839  -1.081
   71   2HE   MET  10          2HE       MET  10  11.111   3.093   0.121
   72   3HE   MET  10          3HE       MET  10  11.295   3.534  -1.574
   73   1HN   NH2  11          1HN       NH2  11   5.529   1.554   3.143
   74   2HN   NH2  11          2HN       NH2  11   5.910   2.281   4.621
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -9.643  -1.642  -4.416
    2   2H    GLY   1          2H        GLY   1  -8.348  -2.724  -4.217
    3   3H    GLY   1          3H        GLY   1  -8.778  -2.188  -5.771
    4   1HA   GLY   1          2HA       GLY   1  -6.954  -0.880  -5.339
    5   2HA   GLY   1          1HA       GLY   1  -8.290   0.153  -4.831
    6    H    ASN   2           H        ASN   2  -5.534  -1.644  -3.756
    7    HA   ASN   2           HA       ASN   2  -6.164  -1.003  -0.923
    8   1HB   ASN   2          2HB       ASN   2  -4.522  -3.073  -2.341
    9   2HB   ASN   2          1HB       ASN   2  -4.060  -2.602  -0.702
   10   1HD2  ASN   2          1HD2      ASN   2  -5.551  -3.073   1.039
   11   2HD2  ASN   2          2HD2      ASN   2  -6.850  -4.148   0.835
   12    H    LEU   3           H        LEU   3  -5.559   1.218  -1.304
   13    HA   LEU   3           HA       LEU   3  -3.081   2.234  -2.251
   14   1HB   LEU   3          2HB       LEU   3  -5.269   3.044  -0.431
   15   2HB   LEU   3          1HB       LEU   3  -3.715   3.769  -0.016
   16    HG   LEU   3           HG       LEU   3  -4.091   3.855  -2.875
   17   1HD1  LEU   3          1HD1      LEU   3  -5.992   5.685  -2.522
   18   2HD1  LEU   3          2HD1      LEU   3  -6.403   4.656  -1.150
   19   3HD1  LEU   3          3HD1      LEU   3  -6.401   3.989  -2.783
   20   1HD2  LEU   3          1HD2      LEU   3  -2.576   5.352  -1.800
   21   2HD2  LEU   3          2HD2      LEU   3  -3.797   5.871  -0.638
   22   3HD2  LEU   3          3HD2      LEU   3  -3.924   6.359  -2.328
   23    H    TRP   4           H        TRP   4  -4.136   0.568   0.525
   24    HA   TRP   4           HA       TRP   4  -2.432   0.561   2.579
   25   1HB   TRP   4          2HB       TRP   4  -3.979  -1.243   0.945
   26   2HB   TRP   4          1HB       TRP   4  -2.637  -2.082   1.638
   27    HD1  TRP   4           HD1      TRP   4  -2.651  -2.391   4.236
   28    HE1  TRP   4           HE1      TRP   4  -4.545  -2.018   5.988
   29    HE3  TRP   4           HE3      TRP   4  -5.757   0.114   1.347
   30    HZ2  TRP   4           HZ2      TRP   4  -7.170  -0.727   6.049
   31    HZ3  TRP   4           HZ3      TRP   4  -7.992   0.958   2.163
   32    HH2  TRP   4           HH2      TRP   4  -8.689   0.527   4.517
   33    H    ALA   5           H        ALA   5  -1.879  -1.656  -0.047
   34    HA   ALA   5           HA       ALA   5   0.713  -2.435   0.363
   35   1HB   ALA   5          1HB       ALA   5  -0.365  -1.839  -2.377
   36   2HB   ALA   5          2HB       ALA   5  -1.225  -2.968  -1.330
   37   3HB   ALA   5          3HB       ALA   5   0.443  -3.297  -1.801
   38    H    THR   6           H        THR   6  -0.362   0.671  -0.831
   39    HA   THR   6           HA       THR   6   2.165   1.449  -2.044
   40    HB   THR   6           HB       THR   6  -0.052   3.221  -1.012
   41    HG1  THR   6          1HG       THR   6  -1.190   1.755  -2.115
   42   1HG2  THR   6          1HG2      THR   6   0.540   4.264  -3.341
   43   2HG2  THR   6          2HG2      THR   6   2.027   3.330  -3.169
   44   3HG2  THR   6          3HG2      THR   6   1.607   4.548  -1.964
   45    H    GLY   7           H        GLY   7   1.096   1.023   1.131
   46   1HA   GLY   7          2HA       GLY   7   3.154   2.940   2.125
   47   2HA   GLY   7          1HA       GLY   7   1.659   2.627   3.006
   48    H    HIS   8           H        HIS   8   2.246  -0.286   1.813
   49    HA   HIS   8           HA       HIS   8   3.547  -1.218   4.303
   50   1HB   HIS   8          2HB       HIS   8   1.580  -2.383   3.599
   51   2HB   HIS   8          1HB       HIS   8   2.163  -2.505   1.938
   52    HD1  HIS   8           HD1      HIS   8   1.842  -4.507   4.860
   53    HD2  HIS   8           HD2      HIS   8   4.824  -4.076   1.980
   54    HE1  HIS   8           HE1      HIS   8   3.288  -6.580   5.012
   55    H    PHE   9           H        PHE   9   4.294  -0.788   0.908
   56    HA   PHE   9           HA       PHE   9   6.665  -2.522   0.971
   57   1HB   PHE   9          2HB       PHE   9   5.240  -0.731  -0.966
   58   2HB   PHE   9          1HB       PHE   9   6.896  -1.222  -1.326
   59    HD1  PHE   9           HD1      PHE   9   3.774  -2.816   0.034
   60    HD2  PHE   9           HD2      PHE   9   7.119  -3.120  -2.644
   61    HE1  PHE   9           HE1      PHE   9   2.954  -5.026  -0.738
   62    HE2  PHE   9           HE2      PHE   9   6.299  -5.330  -3.416
   63    HZ   PHE   9           HZ       PHE   9   4.218  -6.283  -2.463
   64    H    MET  10           H        MET  10   6.233   0.960   0.289
   65    HA   MET  10           HA       MET  10   8.967   1.447   1.383
   66   1HB   MET  10          2HB       MET  10   8.634   3.608   0.070
   67   2HB   MET  10          1HB       MET  10   8.670   2.143  -0.908
   68   1HG   MET  10          2HG       MET  10   6.326   2.150  -1.210
   69   2HG   MET  10          1HG       MET  10   6.070   3.267   0.132
   70   1HE   MET  10          1HE       MET  10   7.187   5.404   0.311
   71   2HE   MET  10          2HE       MET  10   5.666   5.940  -0.397
   72   3HE   MET  10          3HE       MET  10   7.186   6.617  -0.977
   73   1HN   NH2  11          1HN       NH2  11   5.558   2.080   1.854
   74   2HN   NH2  11          2HN       NH2  11   5.719   3.140   3.161
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -8.027   1.068  -5.980
    2   2H    GLY   1          2H        GLY   1  -7.579   1.616  -4.435
    3   3H    GLY   1          3H        GLY   1  -9.199   1.223  -4.764
    4   1HA   GLY   1          2HA       GLY   1  -8.882  -0.985  -4.550
    5   2HA   GLY   1          1HA       GLY   1  -7.248  -0.889  -5.212
    6    H    ASN   2           H        ASN   2  -5.740  -1.388  -3.703
    7    HA   ASN   2           HA       ASN   2  -6.316  -0.782  -0.851
    8   1HB   ASN   2          2HB       ASN   2  -4.754  -2.873  -2.327
    9   2HB   ASN   2          1HB       ASN   2  -4.258  -2.446  -0.685
   10   1HD2  ASN   2          1HD2      ASN   2  -5.742  -2.906   1.066
   11   2HD2  ASN   2          2HD2      ASN   2  -7.076  -3.938   0.860
   12    H    LEU   3           H        LEU   3  -5.652   1.426  -1.194
   13    HA   LEU   3           HA       LEU   3  -3.159   2.389  -2.157
   14   1HB   LEU   3          2HB       LEU   3  -5.167   3.198  -0.065
   15   2HB   LEU   3          1HB       LEU   3  -3.611   4.030  -0.073
   16    HG   LEU   3           HG       LEU   3  -4.717   3.771  -2.759
   17   1HD1  LEU   3          1HD1      LEU   3  -6.629   5.197  -2.523
   18   2HD1  LEU   3          2HD1      LEU   3  -6.269   5.508  -0.825
   19   3HD1  LEU   3          3HD1      LEU   3  -6.823   3.912  -1.330
   20   1HD2  LEU   3          1HD2      LEU   3  -2.893   5.334  -1.619
   21   2HD2  LEU   3          2HD2      LEU   3  -4.293   6.362  -1.314
   22   3HD2  LEU   3          3HD2      LEU   3  -3.866   5.922  -2.968
   23    H    TRP   4           H        TRP   4  -4.223   0.699   0.601
   24    HA   TRP   4           HA       TRP   4  -2.488   0.600   2.628
   25   1HB   TRP   4          2HB       TRP   4  -4.114  -1.124   0.984
   26   2HB   TRP   4          1HB       TRP   4  -2.789  -2.018   1.640
   27    HD1  TRP   4           HD1      TRP   4  -2.772  -2.374   4.234
   28    HE1  TRP   4           HE1      TRP   4  -4.626  -1.976   6.022
   29    HE3  TRP   4           HE3      TRP   4  -5.844   0.277   1.439
   30    HZ2  TRP   4           HZ2      TRP   4  -7.209  -0.608   6.148
   31    HZ3  TRP   4           HZ3      TRP   4  -8.039   1.173   2.307
   32    HH2  TRP   4           HH2      TRP   4  -8.712   0.720   4.664
   33    H    ALA   5           H        ALA   5  -2.043  -1.587  -0.045
   34    HA   ALA   5           HA       ALA   5   0.532  -2.447   0.310
   35   1HB   ALA   5          1HB       ALA   5  -0.979  -1.769  -2.230
   36   2HB   ALA   5          2HB       ALA   5  -1.185  -3.236  -1.274
   37   3HB   ALA   5          3HB       ALA   5   0.337  -2.939  -2.116
   38    H    THR   6           H        THR   6  -0.476   0.705  -0.821
   39    HA   THR   6           HA       THR   6   2.051   1.431  -2.066
   40    HB   THR   6           HB       THR   6  -0.097   3.249  -0.972
   41    HG1  THR   6          1HG       THR   6  -1.298   1.832  -2.073
   42   1HG2  THR   6          1HG2      THR   6   1.042   4.780  -2.146
   43   2HG2  THR   6          2HG2      THR   6   0.766   3.849  -3.619
   44   3HG2  THR   6          3HG2      THR   6   2.201   3.545  -2.638
   45    H    GLY   7           H        GLY   7   1.025   0.987   1.121
   46   1HA   GLY   7          2HA       GLY   7   3.136   2.846   2.109
   47   2HA   GLY   7          1HA       GLY   7   1.657   2.534   3.015
   48    H    HIS   8           H        HIS   8   2.160  -0.360   1.760
   49    HA   HIS   8           HA       HIS   8   3.400  -1.413   4.204
   50   1HB   HIS   8          2HB       HIS   8   1.538  -2.595   3.286
   51   2HB   HIS   8          1HB       HIS   8   2.229  -2.565   1.664
   52    HD1  HIS   8           HD1      HIS   8   1.894  -4.731   4.512
   53    HD2  HIS   8           HD2      HIS   8   4.856  -4.109   1.646
   54    HE1  HIS   8           HE1      HIS   8   3.388  -6.776   4.570
   55    H    PHE   9           H        PHE   9   4.371  -0.721   0.911
   56    HA   PHE   9           HA       PHE   9   6.868  -2.301   1.176
   57   1HB   PHE   9          2HB       PHE   9   5.403  -0.801  -0.982
   58   2HB   PHE   9          1HB       PHE   9   7.093  -1.244  -1.217
   59    HD1  PHE   9           HD1      PHE   9   3.691  -2.385  -1.323
   60    HD2  PHE   9           HD2      PHE   9   7.750  -3.708  -0.850
   61    HE1  PHE   9           HE1      PHE   9   3.005  -4.696  -1.905
   62    HE2  PHE   9           HE2      PHE   9   7.064  -6.020  -1.432
   63    HZ   PHE   9           HZ       PHE   9   4.692  -6.513  -1.959
   64    H    MET  10           H        MET  10   5.754   1.052   1.066
   65    HA   MET  10           HA       MET  10   8.567   1.998   1.425
   66   1HB   MET  10          2HB       MET  10   6.033   3.054   0.250
   67   2HB   MET  10          1HB       MET  10   7.115   4.228   0.999
   68   1HG   MET  10          2HG       MET  10   8.344   4.204  -0.886
   69   2HG   MET  10          1HG       MET  10   8.773   2.531  -0.523
   70   1HE   MET  10          1HE       MET  10   8.801   1.575  -3.267
   71   2HE   MET  10          2HE       MET  10   7.441   0.482  -3.023
   72   3HE   MET  10          3HE       MET  10   8.511   0.857  -1.676
   73   1HN   NH2  11          1HN       NH2  11   5.446   1.687   2.977
   74   2HN   NH2  11          2HN       NH2  11   5.842   2.497   4.408
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -6.174  -2.083  -5.882
    2   2H    GLY   1          2H        GLY   1  -5.552  -0.580  -5.393
    3   3H    GLY   1          3H        GLY   1  -6.559  -0.683  -6.757
    4   1HA   GLY   1          2HA       GLY   1  -8.068   0.057  -5.238
    5   2HA   GLY   1          1HA       GLY   1  -8.243  -1.689  -5.049
    6    H    ASN   2           H        ASN   2  -5.481  -1.792  -3.812
    7    HA   ASN   2           HA       ASN   2  -6.303  -0.901  -1.099
    8   1HB   ASN   2          2HB       ASN   2  -4.690  -3.169  -2.215
    9   2HB   ASN   2          1HB       ASN   2  -4.335  -2.601  -0.579
   10   1HD2  ASN   2          1HD2      ASN   2  -5.988  -2.854   1.055
   11   2HD2  ASN   2          2HD2      ASN   2  -7.337  -3.858   0.815
   12    H    LEU   3           H        LEU   3  -5.523   1.243  -1.570
   13    HA   LEU   3           HA       LEU   3  -2.917   2.038  -2.372
   14   1HB   LEU   3          2HB       LEU   3  -5.094   3.097  -0.593
   15   2HB   LEU   3          1HB       LEU   3  -3.510   3.864  -0.469
   16    HG   LEU   3           HG       LEU   3  -3.902   3.631  -3.211
   17   1HD1  LEU   3          1HD1      LEU   3  -6.496   4.230  -1.780
   18   2HD1  LEU   3          2HD1      LEU   3  -6.212   3.085  -3.091
   19   3HD1  LEU   3          3HD1      LEU   3  -6.178   4.819  -3.411
   20   1HD2  LEU   3          1HD2      LEU   3  -2.907   5.568  -2.207
   21   2HD2  LEU   3          2HD2      LEU   3  -4.358   5.903  -1.261
   22   3HD2  LEU   3          3HD2      LEU   3  -4.373   6.132  -3.010
   23    H    TRP   4           H        TRP   4  -4.296   0.643   0.412
   24    HA   TRP   4           HA       TRP   4  -2.758   0.682   2.594
   25   1HB   TRP   4          2HB       TRP   4  -4.295  -1.137   0.969
   26   2HB   TRP   4          1HB       TRP   4  -3.071  -2.006   1.825
   27    HD1  TRP   4           HD1      TRP   4  -3.301  -2.116   4.430
   28    HE1  TRP   4           HE1      TRP   4  -5.293  -1.493   5.993
   29    HE3  TRP   4           HE3      TRP   4  -6.002   0.351   1.131
   30    HZ2  TRP   4           HZ2      TRP   4  -7.821  -0.042   5.751
   31    HZ3  TRP   4           HZ3      TRP   4  -8.230   1.393   1.702
   32    HH2  TRP   4           HH2      TRP   4  -9.131   1.184   4.017
   33    H    ALA   5           H        ALA   5  -2.159  -1.759   0.185
   34    HA   ALA   5           HA       ALA   5   0.341  -2.655   0.857
   35   1HB   ALA   5          1HB       ALA   5  -0.556  -3.882  -0.830
   36   2HB   ALA   5          2HB       ALA   5   0.208  -2.720  -1.917
   37   3HB   ALA   5          3HB       ALA   5  -1.473  -2.502  -1.433
   38    H    THR   6           H        THR   6  -0.449   0.399  -0.651
   39    HA   THR   6           HA       THR   6   2.173   0.946  -1.764
   40    HB   THR   6           HB       THR   6   0.171   3.009  -0.887
   41    HG1  THR   6          1HG       THR   6  -0.186   0.925  -2.714
   42   1HG2  THR   6          1HG2      THR   6   0.839   3.398  -3.533
   43   2HG2  THR   6          2HG2      THR   6   2.317   2.710  -2.859
   44   3HG2  THR   6          3HG2      THR   6   1.628   4.175  -2.160
   45    H    GLY   7           H        GLY   7   0.903   0.823   1.385
   46   1HA   GLY   7          2HA       GLY   7   2.928   2.749   2.397
   47   2HA   GLY   7          1HA       GLY   7   1.521   2.208   3.309
   48    H    HIS   8           H        HIS   8   2.384  -0.541   1.931
   49    HA   HIS   8           HA       HIS   8   3.905  -1.449   4.300
   50   1HB   HIS   8          2HB       HIS   8   2.064  -2.809   3.644
   51   2HB   HIS   8          1HB       HIS   8   2.521  -2.738   1.942
   52    HD1  HIS   8           HD1      HIS   8   2.927  -4.770   4.945
   53    HD2  HIS   8           HD2      HIS   8   5.078  -4.180   1.422
   54    HE1  HIS   8           HE1      HIS   8   4.539  -6.715   4.756
   55    H    PHE   9           H        PHE   9   4.411  -0.783   0.894
   56    HA   PHE   9           HA       PHE   9   6.981  -2.209   0.776
   57   1HB   PHE   9          2HB       PHE   9   5.306  -0.488  -1.047
   58   2HB   PHE   9          1HB       PHE   9   6.948  -0.942  -1.503
   59    HD1  PHE   9           HD1      PHE   9   3.809  -1.797  -2.281
   60    HD2  PHE   9           HD2      PHE   9   7.269  -3.641  -0.524
   61    HE1  PHE   9           HE1      PHE   9   2.994  -4.024  -3.009
   62    HE2  PHE   9           HE2      PHE   9   6.453  -5.866  -1.252
   63    HZ   PHE   9           HZ       PHE   9   4.315  -6.058  -2.496
   64    H    MET  10           H        MET  10   5.826   1.124   1.091
   65    HA   MET  10           HA       MET  10   8.652   2.075   1.303
   66   1HB   MET  10          2HB       MET  10   6.005   3.231   0.496
   67   2HB   MET  10          1HB       MET  10   7.217   4.321   1.170
   68   1HG   MET  10          2HG       MET  10   8.001   4.427  -0.961
   69   2HG   MET  10          1HG       MET  10   8.720   2.858  -0.598
   70   1HE   MET  10          1HE       MET  10   8.418   3.889  -3.131
   71   2HE   MET  10          2HE       MET  10   7.169   3.284  -4.217
   72   3HE   MET  10          3HE       MET  10   8.413   2.188  -3.619
   73   1HN   NH2  11          1HN       NH2  11   5.672   1.582   3.069
   74   2HN   NH2  11          2HN       NH2  11   6.177   2.268   4.530
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -9.525   0.809  -3.922
    2   2H    GLY   1          2H        GLY   1  -9.298   0.671  -5.600
    3   3H    GLY   1          3H        GLY   1  -8.195   1.558  -4.659
    4   1HA   GLY   1          2HA       GLY   1  -8.635  -1.377  -4.592
    5   2HA   GLY   1          1HA       GLY   1  -7.202  -0.536  -5.188
    6    H    ASN   2           H        ASN   2  -5.781  -1.443  -3.639
    7    HA   ASN   2           HA       ASN   2  -6.345  -0.811  -0.791
    8   1HB   ASN   2          2HB       ASN   2  -4.780  -2.909  -2.254
    9   2HB   ASN   2          1HB       ASN   2  -4.275  -2.462  -0.621
   10   1HD2  ASN   2          1HD2      ASN   2  -5.744  -2.912   1.145
   11   2HD2  ASN   2          2HD2      ASN   2  -7.073  -3.953   0.959
   12    H    LEU   3           H        LEU   3  -5.695   1.398  -1.164
   13    HA   LEU   3           HA       LEU   3  -3.213   2.365  -2.149
   14   1HB   LEU   3          2HB       LEU   3  -5.346   3.208  -0.280
   15   2HB   LEU   3          1HB       LEU   3  -3.768   3.888   0.117
   16    HG   LEU   3           HG       LEU   3  -4.853   3.960  -2.699
   17   1HD1  LEU   3          1HD1      LEU   3  -5.366   6.432  -1.992
   18   2HD1  LEU   3          2HD1      LEU   3  -5.437   5.763  -0.362
   19   3HD1  LEU   3          3HD1      LEU   3  -6.536   5.169  -1.607
   20   1HD2  LEU   3          1HD2      LEU   3  -2.429   4.745  -1.386
   21   2HD2  LEU   3          2HD2      LEU   3  -3.255   6.202  -1.940
   22   3HD2  LEU   3          3HD2      LEU   3  -2.855   4.926  -3.089
   23    H    TRP   4           H        TRP   4  -4.252   0.698   0.633
   24    HA   TRP   4           HA       TRP   4  -2.504   0.629   2.650
   25   1HB   TRP   4          2HB       TRP   4  -4.131  -1.119   1.035
   26   2HB   TRP   4          1HB       TRP   4  -2.796  -1.999   1.689
   27    HD1  TRP   4           HD1      TRP   4  -2.755  -2.328   4.287
   28    HE1  TRP   4           HE1      TRP   4  -4.601  -1.928   6.083
   29    HE3  TRP   4           HE3      TRP   4  -5.869   0.269   1.489
   30    HZ2  TRP   4           HZ2      TRP   4  -7.194  -0.582   6.215
   31    HZ3  TRP   4           HZ3      TRP   4  -8.067   1.155   2.362
   32    HH2  TRP   4           HH2      TRP   4  -8.719   0.719   4.728
   33    H    ALA   5           H        ALA   5  -2.066  -1.568  -0.014
   34    HA   ALA   5           HA       ALA   5   0.522  -2.410   0.344
   35   1HB   ALA   5          1HB       ALA   5  -1.418  -2.014  -1.883
   36   2HB   ALA   5          2HB       ALA   5  -0.732  -3.511  -1.252
   37   3HB   ALA   5          3HB       ALA   5   0.221  -2.487  -2.328
   38    H    THR   6           H        THR   6  -0.519   0.717  -0.805
   39    HA   THR   6           HA       THR   6   1.959   1.443  -2.141
   40    HB   THR   6           HB       THR   6  -0.066   3.330  -0.959
   41    HG1  THR   6          1HG       THR   6  -0.546   2.134  -3.431
   42   1HG2  THR   6          1HG2      THR   6   0.641   4.754  -2.597
   43   2HG2  THR   6          2HG2      THR   6   0.854   3.456  -3.772
   44   3HG2  THR   6          3HG2      THR   6   2.084   3.742  -2.541
   45    H    GLY   7           H        GLY   7   1.026   1.036   1.090
   46   1HA   GLY   7          2HA       GLY   7   3.232   2.831   1.986
   47   2HA   GLY   7          1HA       GLY   7   1.764   2.607   2.935
   48    H    HIS   8           H        HIS   8   2.150  -0.335   1.702
   49    HA   HIS   8           HA       HIS   8   3.325  -1.412   4.160
   50   1HB   HIS   8          2HB       HIS   8   1.469  -2.556   3.179
   51   2HB   HIS   8          1HB       HIS   8   2.214  -2.541   1.580
   52    HD1  HIS   8           HD1      HIS   8   1.695  -4.735   4.353
   53    HD2  HIS   8           HD2      HIS   8   4.858  -4.095   1.715
   54    HE1  HIS   8           HE1      HIS   8   3.159  -6.798   4.477
   55    H    PHE   9           H        PHE   9   4.410  -0.717   0.904
   56    HA   PHE   9           HA       PHE   9   6.860  -2.355   1.221
   57   1HB   PHE   9          2HB       PHE   9   5.458  -0.828  -0.946
   58   2HB   PHE   9          1HB       PHE   9   7.172  -1.195  -1.142
   59    HD1  PHE   9           HD1      PHE   9   3.858  -2.441  -1.523
   60    HD2  PHE   9           HD2      PHE   9   7.888  -3.671  -0.685
   61    HE1  PHE   9           HE1      PHE   9   3.289  -4.760  -2.192
   62    HE2  PHE   9           HE2      PHE   9   7.319  -5.990  -1.353
   63    HZ   PHE   9           HZ       PHE   9   5.020  -6.535  -2.107
   64    H    MET  10           H        MET  10   5.990   1.061   0.655
   65    HA   MET  10           HA       MET  10   8.729   1.855   1.553
   66   1HB   MET  10          2HB       MET  10   6.677   2.858  -0.350
   67   2HB   MET  10          1HB       MET  10   7.569   4.096   0.534
   68   1HG   MET  10          2HG       MET  10   8.990   1.812  -0.835
   69   2HG   MET  10          1HG       MET  10   8.577   3.291  -1.702
   70   1HE   MET  10          1HE       MET  10  10.491   1.470   0.848
   71   2HE   MET  10          2HE       MET  10  11.943   2.435   1.106
   72   3HE   MET  10          3HE       MET  10  11.605   1.775  -0.493
   73   1HN   NH2  11          1HN       NH2  11   5.326   1.969   2.354
   74   2HN   NH2  11          2HN       NH2  11   5.465   2.949   3.725
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  -7.046   1.177  -4.945
    2   2H    GLY   1          2H        GLY   1  -8.160   0.777  -6.164
    3   3H    GLY   1          3H        GLY   1  -6.546   0.265  -6.286
    4   1HA   GLY   1          2HA       GLY   1  -8.744  -0.964  -4.941
    5   2HA   GLY   1          1HA       GLY   1  -7.172  -1.642  -5.368
    6    H    ASN   2           H        ASN   2  -5.598  -1.772  -3.775
    7    HA   ASN   2           HA       ASN   2  -6.393  -0.848  -1.065
    8   1HB   ASN   2          2HB       ASN   2  -4.821  -3.148  -2.174
    9   2HB   ASN   2          1HB       ASN   2  -4.449  -2.575  -0.544
   10   1HD2  ASN   2          1HD2      ASN   2  -6.101  -2.786   1.100
   11   2HD2  ASN   2          2HD2      ASN   2  -7.466  -3.771   0.874
   12    H    LEU   3           H        LEU   3  -5.581   1.281  -1.560
   13    HA   LEU   3           HA       LEU   3  -2.965   2.028  -2.378
   14   1HB   LEU   3          2HB       LEU   3  -5.145   3.135  -0.649
   15   2HB   LEU   3          1HB       LEU   3  -3.547   3.855  -0.443
   16    HG   LEU   3           HG       LEU   3  -4.084   3.536  -3.251
   17   1HD1  LEU   3          1HD1      LEU   3  -5.948   5.410  -3.116
   18   2HD1  LEU   3          2HD1      LEU   3  -6.289   4.657  -1.558
   19   3HD1  LEU   3          3HD1      LEU   3  -6.392   3.705  -3.038
   20   1HD2  LEU   3          1HD2      LEU   3  -3.010   5.425  -1.385
   21   2HD2  LEU   3          2HD2      LEU   3  -4.184   6.263  -2.400
   22   3HD2  LEU   3          3HD2      LEU   3  -2.832   5.406  -3.140
   23    H    TRP   4           H        TRP   4  -4.355   0.679   0.424
   24    HA   TRP   4           HA       TRP   4  -2.811   0.711   2.600
   25   1HB   TRP   4          2HB       TRP   4  -4.378  -1.097   0.994
   26   2HB   TRP   4          1HB       TRP   4  -3.164  -1.978   1.851
   27    HD1  TRP   4           HD1      TRP   4  -3.388  -2.066   4.458
   28    HE1  TRP   4           HE1      TRP   4  -5.365  -1.405   6.023
   29    HE3  TRP   4           HE3      TRP   4  -6.064   0.416   1.150
   30    HZ2  TRP   4           HZ2      TRP   4  -7.874   0.079   5.779
   31    HZ3  TRP   4           HZ3      TRP   4  -8.276   1.492   1.722
   32    HH2  TRP   4           HH2      TRP   4  -9.171   1.313   4.041
   33    H    ALA   5           H        ALA   5  -2.254  -1.753   0.206
   34    HA   ALA   5           HA       ALA   5   0.231  -2.687   0.879
   35   1HB   ALA   5          1HB       ALA   5  -1.018  -2.210  -1.842
   36   2HB   ALA   5          2HB       ALA   5  -1.381  -3.560  -0.768
   37   3HB   ALA   5          3HB       ALA   5   0.220  -3.417  -1.495
   38    H    THR   6           H        THR   6  -0.505   0.374  -0.639
   39    HA   THR   6           HA       THR   6   2.127   0.865  -1.757
   40    HB   THR   6           HB       THR   6   0.161   2.970  -0.907
   41    HG1  THR   6          1HG       THR   6  -1.086   2.421  -2.732
   42   1HG2  THR   6          1HG2      THR   6   1.212   2.810  -3.656
   43   2HG2  THR   6          2HG2      THR   6   2.438   3.019  -2.406
   44   3HG2  THR   6          3HG2      THR   6   1.126   4.189  -2.559
   45    H    GLY   7           H        GLY   7   0.864   0.782   1.392
   46   1HA   GLY   7          2HA       GLY   7   2.900   2.708   2.385
   47   2HA   GLY   7          1HA       GLY   7   1.494   2.175   3.305
   48    H    HIS   8           H        HIS   8   2.402  -0.575   1.908
   49    HA   HIS   8           HA       HIS   8   3.883  -1.478   4.304
   50   1HB   HIS   8          2HB       HIS   8   2.078  -2.861   3.604
   51   2HB   HIS   8          1HB       HIS   8   2.562  -2.768   1.910
   52    HD1  HIS   8           HD1      HIS   8   3.157  -4.662   5.039
   53    HD2  HIS   8           HD2      HIS   8   4.940  -4.329   1.286
   54    HE1  HIS   8           HE1      HIS   8   4.745  -6.623   4.824
   55    H    PHE   9           H        PHE   9   4.429  -0.886   0.877
   56    HA   PHE   9           HA       PHE   9   7.012  -2.255   0.795
   57   1HB   PHE   9          2HB       PHE   9   5.360  -0.488  -0.997
   58   2HB   PHE   9          1HB       PHE   9   7.027  -0.864  -1.431
   59    HD1  PHE   9           HD1      PHE   9   3.780  -1.861  -2.006
   60    HD2  PHE   9           HD2      PHE   9   7.581  -3.521  -0.890
   61    HE1  PHE   9           HE1      PHE   9   3.062  -4.077  -2.857
   62    HE2  PHE   9           HE2      PHE   9   6.863  -5.737  -1.741
   63    HZ   PHE   9           HZ       PHE   9   4.603  -6.015  -2.723
   64    H    MET  10           H        MET  10   5.869   1.060   1.257
   65    HA   MET  10           HA       MET  10   8.691   1.999   1.517
   66   1HB   MET  10          2HB       MET  10   7.497   4.248   1.347
   67   2HB   MET  10          1HB       MET  10   7.380   3.232  -0.087
   68   1HG   MET  10          2HG       MET  10   5.147   2.668   0.339
   69   2HG   MET  10          1HG       MET  10   5.273   3.064   2.052
   70   1HE   MET  10          1HE       MET  10   6.897   5.303  -0.681
   71   2HE   MET  10          2HE       MET  10   5.510   6.187  -1.314
   72   3HE   MET  10          3HE       MET  10   5.602   4.440  -1.521
   73   1HN   NH2  11          1HN       NH2  11   5.714   1.405   3.260
   74   2HN   NH2  11          2HN       NH2  11   6.220   2.014   4.753
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  -7.316   1.365  -4.916
    2   2H    GLY   1          2H        GLY   1  -8.848   0.631  -4.959
    3   3H    GLY   1          3H        GLY   1  -7.907   0.721  -6.371
    4   1HA   GLY   1          2HA       GLY   1  -7.986  -1.503  -5.159
    5   2HA   GLY   1          1HA       GLY   1  -6.408  -0.884  -5.650
    6    H    ASN   2           H        ASN   2  -5.070  -1.556  -4.004
    7    HA   ASN   2           HA       ASN   2  -5.916  -1.030  -1.204
    8   1HB   ASN   2          2HB       ASN   2  -4.117  -3.003  -2.568
    9   2HB   ASN   2          1HB       ASN   2  -3.782  -2.572  -0.886
   10   1HD2  ASN   2          1HD2      ASN   2  -5.365  -3.155   0.733
   11   2HD2  ASN   2          2HD2      ASN   2  -6.617  -4.255   0.407
   12    H    LEU   3           H        LEU   3  -5.357   1.218  -1.462
   13    HA   LEU   3           HA       LEU   3  -2.857   2.342  -2.206
   14   1HB   LEU   3          2HB       LEU   3  -5.071   2.994  -0.274
   15   2HB   LEU   3          1HB       LEU   3  -3.571   3.913  -0.140
   16    HG   LEU   3           HG       LEU   3  -3.873   4.101  -2.782
   17   1HD1  LEU   3          1HD1      LEU   3  -5.829   3.136  -3.413
   18   2HD1  LEU   3          2HD1      LEU   3  -6.587   4.577  -2.735
   19   3HD1  LEU   3          3HD1      LEU   3  -6.451   3.112  -1.762
   20   1HD2  LEU   3          1HD2      LEU   3  -5.444   5.740  -0.765
   21   2HD2  LEU   3          2HD2      LEU   3  -5.016   6.261  -2.394
   22   3HD2  LEU   3          3HD2      LEU   3  -3.752   5.989  -1.196
   23    H    TRP   4           H        TRP   4  -4.034   0.542   0.435
   24    HA   TRP   4           HA       TRP   4  -2.461   0.507   2.591
   25   1HB   TRP   4          2HB       TRP   4  -3.854  -1.275   0.806
   26   2HB   TRP   4          1HB       TRP   4  -2.532  -2.105   1.546
   27    HD1  TRP   4           HD1      TRP   4  -2.682  -2.497   4.133
   28    HE1  TRP   4           HE1      TRP   4  -4.688  -2.245   5.779
   29    HE3  TRP   4           HE3      TRP   4  -5.698   0.000   1.145
   30    HZ2  TRP   4           HZ2      TRP   4  -7.354  -1.044   5.724
   31    HZ3  TRP   4           HZ3      TRP   4  -8.005   0.743   1.850
   32    HH2  TRP   4           HH2      TRP   4  -8.823   0.211   4.144
   33    H    ALA   5           H        ALA   5  -1.690  -1.580  -0.085
   34    HA   ALA   5           HA       ALA   5   0.915  -2.282   0.489
   35   1HB   ALA   5          1HB       ALA   5   0.079  -1.803  -2.331
   36   2HB   ALA   5          2HB       ALA   5  -0.989  -2.793  -1.336
   37   3HB   ALA   5          3HB       ALA   5   0.689  -3.279  -1.582
   38    H    THR   6           H        THR   6  -0.221   0.789  -0.683
   39    HA   THR   6           HA       THR   6   2.258   1.660  -1.918
   40    HB   THR   6           HB       THR   6   0.133   3.443  -0.758
   41    HG1  THR   6          1HG       THR   6  -0.297   2.299  -3.251
   42   1HG2  THR   6          1HG2      THR   6   1.864   3.397  -3.225
   43   2HG2  THR   6          2HG2      THR   6   1.825   4.604  -1.940
   44   3HG2  THR   6          3HG2      THR   6   0.482   4.482  -3.077
   45    H    GLY   7           H        GLY   7   1.223   1.171   1.280
   46   1HA   GLY   7          2HA       GLY   7   3.299   3.063   2.280
   47   2HA   GLY   7          1HA       GLY   7   1.841   2.679   3.194
   48    H    HIS   8           H        HIS   8   2.314  -0.180   1.986
   49    HA   HIS   8           HA       HIS   8   3.856  -1.142   4.322
   50   1HB   HIS   8          2HB       HIS   8   1.797  -2.260   3.833
   51   2HB   HIS   8          1HB       HIS   8   2.201  -2.402   2.123
   52    HD1  HIS   8           HD1      HIS   8   2.239  -4.319   5.158
   53    HD2  HIS   8           HD2      HIS   8   4.722  -4.096   1.818
   54    HE1  HIS   8           HE1      HIS   8   3.621  -6.441   5.151
   55    H    PHE   9           H        PHE   9   4.213  -0.771   0.851
   56    HA   PHE   9           HA       PHE   9   6.616  -2.484   0.742
   57   1HB   PHE   9          2HB       PHE   9   4.938  -0.880  -1.176
   58   2HB   PHE   9          1HB       PHE   9   6.507  -1.507  -1.680
   59    HD1  PHE   9           HD1      PHE   9   6.779  -4.083  -0.499
   60    HD2  PHE   9           HD2      PHE   9   3.218  -2.216  -2.010
   61    HE1  PHE   9           HE1      PHE   9   5.769  -6.316  -0.877
   62    HE2  PHE   9           HE2      PHE   9   2.208  -4.449  -2.388
   63    HZ   PHE   9           HZ       PHE   9   3.483  -6.499  -1.820
   64    H    MET  10           H        MET  10   5.883   0.929  -0.029
   65    HA   MET  10           HA       MET  10   8.754   1.593   0.482
   66   1HB   MET  10          2HB       MET  10   6.659   2.405  -1.405
   67   2HB   MET  10          1HB       MET  10   7.468   3.785  -0.662
   68   1HG   MET  10          2HG       MET  10   8.577   2.966  -2.772
   69   2HG   MET  10          1HG       MET  10   9.636   2.978  -1.362
   70   1HE   MET  10          1HE       MET  10  10.514   1.134  -0.147
   71   2HE   MET  10          2HE       MET  10  11.388   1.191  -1.676
   72   3HE   MET  10          3HE       MET  10  10.923  -0.365  -0.994
   73   1HN   NH2  11          1HN       NH2  11   5.473   2.087   1.597
   74   2HN   NH2  11          2HN       NH2  11   5.833   3.200   2.818
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  -9.341  -0.115  -4.698
    2   2H    GLY   1          2H        GLY   1  -9.144  -1.793  -4.514
    3   3H    GLY   1          3H        GLY   1  -9.161  -1.102  -6.065
    4   1HA   GLY   1          2HA       GLY   1  -6.908  -1.614  -5.503
    5   2HA   GLY   1          1HA       GLY   1  -7.119   0.137  -5.506
    6    H    ASN   2           H        ASN   2  -5.288  -1.728  -3.923
    7    HA   ASN   2           HA       ASN   2  -6.114  -0.953  -1.176
    8   1HB   ASN   2          2HB       ASN   2  -4.468  -3.151  -2.382
    9   2HB   ASN   2          1HB       ASN   2  -4.118  -2.639  -0.726
   10   1HD2  ASN   2          1HD2      ASN   2  -5.759  -2.989   0.901
   11   2HD2  ASN   2          2HD2      ASN   2  -7.094  -4.002   0.625
   12    H    LEU   3           H        LEU   3  -5.371   1.220  -1.570
   13    HA   LEU   3           HA       LEU   3  -2.779   2.084  -2.346
   14   1HB   LEU   3          2HB       LEU   3  -4.971   3.043  -0.531
   15   2HB   LEU   3          1HB       LEU   3  -3.400   3.830  -0.376
   16    HG   LEU   3           HG       LEU   3  -4.157   3.499  -3.168
   17   1HD1  LEU   3          1HD1      LEU   3  -5.837   5.626  -2.436
   18   2HD1  LEU   3          2HD1      LEU   3  -6.232   4.326  -1.310
   19   3HD1  LEU   3          3HD1      LEU   3  -6.340   4.051  -3.049
   20   1HD2  LEU   3          1HD2      LEU   3  -2.572   5.153  -1.657
   21   2HD2  LEU   3          2HD2      LEU   3  -3.963   6.191  -1.970
   22   3HD2  LEU   3          3HD2      LEU   3  -3.063   5.491  -3.316
   23    H    TRP   4           H        TRP   4  -4.131   0.566   0.386
   24    HA   TRP   4           HA       TRP   4  -2.593   0.552   2.568
   25   1HB   TRP   4          2HB       TRP   4  -4.101  -1.232   0.878
   26   2HB   TRP   4          1HB       TRP   4  -2.861  -2.112   1.701
   27    HD1  TRP   4           HD1      TRP   4  -3.087  -2.319   4.302
   28    HE1  TRP   4           HE1      TRP   4  -5.089  -1.792   5.885
   29    HE3  TRP   4           HE3      TRP   4  -5.834   0.216   1.094
   30    HZ2  TRP   4           HZ2      TRP   4  -7.644  -0.378   5.696
   31    HZ3  TRP   4           HZ3      TRP   4  -8.081   1.195   1.702
   32    HH2  TRP   4           HH2      TRP   4  -8.977   0.886   4.008
   33    H    ALA   5           H        ALA   5  -1.954  -1.792   0.075
   34    HA   ALA   5           HA       ALA   5   0.579  -2.641   0.735
   35   1HB   ALA   5          1HB       ALA   5  -1.134  -3.459  -0.932
   36   2HB   ALA   5          2HB       ALA   5   0.523  -3.488  -1.538
   37   3HB   ALA   5          3HB       ALA   5  -0.576  -2.198  -2.030
   38    H    THR   6           H        THR   6  -0.312   0.404  -0.707
   39    HA   THR   6           HA       THR   6   2.273   1.016  -1.886
   40    HB   THR   6           HB       THR   6   0.218   3.013  -0.982
   41    HG1  THR   6          1HG       THR   6  -0.900   2.417  -2.971
   42   1HG2  THR   6          1HG2      THR   6   0.752   3.976  -3.212
   43   2HG2  THR   6          2HG2      THR   6   1.890   2.655  -3.479
   44   3HG2  THR   6          3HG2      THR   6   2.177   3.819  -2.185
   45    H    GLY   7           H        GLY   7   1.073   0.849   1.284
   46   1HA   GLY   7          2HA       GLY   7   3.110   2.802   2.244
   47   2HA   GLY   7          1HA       GLY   7   1.674   2.346   3.160
   48    H    HIS   8           H        HIS   8   2.448  -0.485   1.906
   49    HA   HIS   8           HA       HIS   8   3.921  -1.343   4.325
   50   1HB   HIS   8          2HB       HIS   8   2.018  -2.648   3.687
   51   2HB   HIS   8          1HB       HIS   8   2.539  -2.707   2.003
   52    HD1  HIS   8           HD1      HIS   8   2.584  -4.683   5.002
   53    HD2  HIS   8           HD2      HIS   8   5.224  -4.143   1.822
   54    HE1  HIS   8           HE1      HIS   8   4.167  -6.659   5.044
   55    H    PHE   9           H        PHE   9   4.473  -0.852   0.896
   56    HA   PHE   9           HA       PHE   9   6.939  -2.410   0.783
   57   1HB   PHE   9          2HB       PHE   9   5.653  -0.332  -1.014
   58   2HB   PHE   9          1HB       PHE   9   7.057  -1.298  -1.465
   59    HD1  PHE   9           HD1      PHE   9   6.365  -3.909  -0.219
   60    HD2  PHE   9           HD2      PHE   9   3.940  -1.142  -2.437
   61    HE1  PHE   9           HE1      PHE   9   4.870  -5.766  -0.902
   62    HE2  PHE   9           HE2      PHE   9   2.445  -2.999  -3.119
   63    HZ   PHE   9           HZ       PHE   9   2.910  -5.312  -2.351
   64    H    MET  10           H        MET  10   6.116   1.050   0.962
   65    HA   MET  10           HA       MET  10   8.993   1.672   1.486
   66   1HB   MET  10          2HB       MET  10   6.615   3.107   0.342
   67   2HB   MET  10          1HB       MET  10   7.900   4.060   1.085
   68   1HG   MET  10          2HG       MET  10   9.500   2.623  -0.385
   69   2HG   MET  10          1HG       MET  10   8.049   2.247  -1.315
   70   1HE   MET  10          1HE       MET  10   7.172   3.551  -3.101
   71   2HE   MET  10          2HE       MET  10   8.864   3.246  -3.488
   72   3HE   MET  10          3HE       MET  10   8.159   4.825  -3.832
   73   1HN   NH2  11          1HN       NH2  11   5.784   1.626   2.887
   74   2HN   NH2  11          2HN       NH2  11   6.195   2.320   4.373