*HEADER    ANTIBIOTIC                              02-MAY-04   1T55              
*TITLE     ANTIBIOTIC ACTIVITY AND STRUCTURAL ANALYSIS OF A SCORPION-            
*TITLE    2 DERIVED ANTIMICROBIAL PEPTIDE ISCT AND ITS ANALOGS                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOTOXIC LINEAR PEPTIDE ISCT;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ISCT;                                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS;                
*SOURCE   3 ORGANISM_COMMON: SCORPION;                                           
*SOURCE   4 TISSUE: VENOM;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    COIL-HELIX                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.LEE, S.Y.SHIN, K.KIM, S.S.LIM, K.S.HAHM, Y.KIM                      
*REVDAT   1   19-OCT-04 1T55    0                                                

set message=off echo=off end
! S:1.8-2.7(2.5) ; M:1.8-3.5(3.0) ; W:1.8-5.0(4.0)
! add pseudoatom correction(m=1.0,r=1.5,+=0.5,q=2.4)

!H-bond
!assign (resid    6 and  name N    )(resid    2 and  name O    ) 3.3 0.8 0.2
!assign (resid    8 and  name N    )(resid    4 and  name O    ) 3.3 0.8 0.2
!assign (resid    9 and  name N    )(resid    5 and  name O    ) 3.3 0.8 0.2
!assign (resid   10 and  name N    )(resid    6 and  name O    ) 3.3 0.8 0.2
!assign (resid   11 and  name N    )(resid    7 and  name O    ) 3.3 0.8 0.2
!assign (resid   12 and  name N    )(resid    8 and  name O    ) 3.3 0.8 0.2
!assign (resid   13 and  name N    )(resid    9 and  name O    ) 3.3 0.8 0.2

! NH-NH NOEs
! i-i+1
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 3.0 1.2 0.5 !M

! i-i+2

! i-i+3
!assign (resid    6 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.5 !M

! CaH-NH NOEs
! i-i+1
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    3 and  name HA1  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    3 and  name HA2  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5 !S+M
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+2
assign (resid    9 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 2.0 !W

! i-i+3
assign (resid    6 and  name HN   )(resid    3 and  name HA1  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 2.0 !W

! i-i+4

! NH-Cb/Cg/CdH(sequential)

! i-i+1
assign (resid    3 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    3 and  name HN   )(resid    2 and  name HG   ) 4.0 2.2 2.0 !W
assign (resid    5 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 2.0 !W
assign (resid    7 and  name HN   )(resid    6 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    8 and  name HD1  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    8 and  name HD2  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HD1  ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    8 and  name HD2  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HG2  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    9 and  name HG22 ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid   10 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid   10 and  name HD2  ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   11 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HD23 ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid   10 and  name HB1  ) 4.0 2.2 2.0 !W

! NH-Cb/Cg/CdH(i-i+2)
!assign (resid    6 and  name HB1  )(resid    8 and  name HD1  ) 4.0 2.2 2.0 !W

! NH-Cb/Cg/CdH(i-i+3)
assign (resid    9 and  name HN   )(resid    6 and  name HB1  ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HN   )(resid   10 and  name HD1  ) 4.0 2.2 2.0 !W

! CaH-CbH NOEs

! Other inter-residual NOEs (sequential)
assign (resid    5 and  name HN   )(resid    9 and  name HB   ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HA   )(resid    6 and  name HE3  ) 2.5 0.7 0.2 !S
assign (resid    6 and  name HE3  )(resid    9 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HE3  )(resid    9 and  name HG23 ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HE3  )(resid    9 and  name HD13 ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HE3  )(resid   10 and  name HB2  ) 4.0 2.2 2.0 !W

! Intra-residual NOEs
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    2 and  name HN   )(resid    2 and  name HG   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 2.0 !W
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    4 and  name HD1  ) 4.0 2.2 2.0 !W
assign (resid    5 and  name HN   )(resid    5 and  name HD11 ) 4.0 2.2 2.0 !W
assign (resid    5 and  name HN   )(resid    5 and  name HG11 ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    7 and  name HD2  ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid    9 and  name HN   )(resid    9 and  name HG23 ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HD12  ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   10 and  name HG1  ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HD2  ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   12 and  name HG   ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   12 and  name HD13 ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   13 and  name HD1  ) 4.0 2.2 2.0 !W
!assign (resid   13 and  name HN   )(resid   13 and  name HE*  ) 4.0 2.2 2.0 !W
!assign (resid   13 and  name HN   )(resid   13 and  name HZ   ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HE2  )(resid   13 and  name HB1  ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HE1  )(resid   13 and  name HB2  ) 4.0 2.2 2.0 !W

set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1           HT1      ILE   1  11.766   5.500   1.530
    2   2H    ILE   1           HT2      ILE   1  12.045   4.357   0.304
    3   3H    ILE   1           HT3      ILE   1  11.553   3.847   1.848
    4    HA   ILE   1           HA       ILE   1   9.380   4.681   1.570
    5    HB   ILE   1           HB       ILE   1   8.947   6.131  -0.461
    6   1HG1  ILE   1          HG12      ILE   1  11.794   6.789  -0.744
    7   2HG1  ILE   1          HG11      ILE   1  11.406   5.152  -1.275
    8   1HG2  ILE   1          HG21      ILE   1   9.376   7.941   0.835
    9   2HG2  ILE   1          HG22      ILE   1  11.104   7.593   0.893
   10   3HG2  ILE   1          HG23      ILE   1  10.003   6.783   2.009
   11   1HD1  ILE   1          HD11      ILE   1   9.394   7.047  -2.171
   12   2HD1  ILE   1          HD12      ILE   1  10.360   5.916  -3.119
   13   3HD1  ILE   1          HD13      ILE   1  11.000   7.512  -2.730
   14    H    LEU   2           HN       LEU   2   8.740   2.542   1.184
   15    HA   LEU   2           HA       LEU   2   9.126   1.482  -1.595
   16   1HB   LEU   2          HB2       LEU   2   8.863   0.245   1.148
   17   2HB   LEU   2          HB1       LEU   2   8.621  -0.716  -0.311
   18    HG   LEU   2           HG       LEU   2  11.102   0.934   0.244
   19   1HD1  LEU   2          HD11      LEU   2  10.364  -1.902   0.864
   20   2HD1  LEU   2          HD12      LEU   2  11.347  -0.772   1.796
   21   3HD1  LEU   2          HD13      LEU   2  12.020  -1.554   0.366
   22   1HD2  LEU   2          HD21      LEU   2  11.681   0.447  -1.881
   23   2HD2  LEU   2          HD22      LEU   2  10.053  -0.186  -2.124
   24   3HD2  LEU   2          HD23      LEU   2  11.353  -1.266  -1.622
   25    H    GLY   3           HN       GLY   3   6.860   0.201   0.755
   26   1HA   GLY   3          HA2       GLY   3   4.500   0.238   0.814
   27   2HA   GLY   3          HA1       GLY   3   4.534   1.569  -0.343
   28    H    LYS   4           HN       LYS   4   6.245  -1.409  -0.997
   29    HA   LYS   4           HA       LYS   4   5.175  -1.822  -3.565
   30   1HB   LYS   4          HB2       LYS   4   6.165  -4.028  -3.339
   31   2HB   LYS   4          HB1       LYS   4   7.182  -2.884  -2.464
   32   1HG   LYS   4          HG2       LYS   4   5.437  -3.585  -0.500
   33   2HG   LYS   4          HG1       LYS   4   5.495  -5.085  -1.426
   34   1HD   LYS   4          HD2       LYS   4   8.046  -3.657  -0.719
   35   2HD   LYS   4          HD1       LYS   4   7.261  -4.703   0.465
   36   1HE   LYS   4          HE2       LYS   4   7.756  -5.697  -2.343
   37   2HE   LYS   4          HE1       LYS   4   9.031  -5.785  -1.112
   38   1HZ   LYS   4          HZ1       LYS   4   7.158  -6.705   0.368
   39   2HZ   LYS   4          HZ2       LYS   4   7.867  -7.744  -0.775
   40   3HZ   LYS   4          HZ3       LYS   4   6.357  -7.033  -1.091
   41    H    ILE   5           HN       ILE   5   3.773  -2.536  -0.447
   42    HA   ILE   5           HA       ILE   5   1.408  -3.745  -1.838
   43    HB   ILE   5           HB       ILE   5   2.875  -5.438  -0.739
   44   1HG1  ILE   5          HG12      ILE   5   0.315  -5.061   0.835
   45   2HG1  ILE   5          HG11      ILE   5   0.331  -5.618  -0.839
   46   1HG2  ILE   5          HG21      ILE   5   2.111  -4.552   1.972
   47   2HG2  ILE   5          HG22      ILE   5   3.267  -3.498   1.157
   48   3HG2  ILE   5          HG23      ILE   5   3.643  -5.205   1.391
   49   1HD1  ILE   5          HD11      ILE   5   0.749  -7.708  -0.124
   50   2HD1  ILE   5          HD12      ILE   5   0.797  -7.142   1.546
   51   3HD1  ILE   5          HD13      ILE   5   2.269  -7.149   0.575
   52    H    TRP   6           HN       TRP   6   2.355  -1.082  -0.321
   53    HA   TRP   6           HA       TRP   6  -0.022  -0.898   1.495
   54   1HB   TRP   6          HB2       TRP   6   2.659  -0.398   1.907
   55   2HB   TRP   6          HB1       TRP   6   2.032   1.213   1.554
   56    HD1  TRP   6           HD1      TRP   6   1.347   2.418   3.670
   57    HE1  TRP   6           HE1      TRP   6   0.275   1.756   5.919
   58    HE3  TRP   6           HE3      TRP   6   0.867  -2.618   2.972
   59    HZ2  TRP   6           HZ2      TRP   6  -0.662  -0.597   7.247
   60    HZ3  TRP   6           HZ3      TRP   6  -0.118  -4.045   4.743
   61    HH2  TRP   6           HH2      TRP   6  -0.882  -3.042   6.878
   62    H    LYS   7           HN       LYS   7   1.491   0.407  -1.373
   63    HA   LYS   7           HA       LYS   7   0.204   2.938  -1.556
   64   1HB   LYS   7          HB2       LYS   7   1.535   0.962  -3.314
   65   2HB   LYS   7          HB1       LYS   7   0.447   2.079  -4.141
   66   1HG   LYS   7          HG2       LYS   7   1.686   3.956  -3.527
   67   2HG   LYS   7          HG1       LYS   7   2.400   3.151  -2.129
   68   1HD   LYS   7          HD2       LYS   7   4.078   2.216  -3.359
   69   2HD   LYS   7          HD1       LYS   7   3.030   1.924  -4.748
   70   1HE   LYS   7          HE2       LYS   7   3.496   4.786  -4.213
   71   2HE   LYS   7          HE1       LYS   7   4.958   3.885  -4.663
   72   1HZ   LYS   7          HZ1       LYS   7   2.531   3.233  -6.129
   73   2HZ   LYS   7          HZ2       LYS   7   4.133   3.354  -6.682
   74   3HZ   LYS   7          HZ3       LYS   7   3.201   4.756  -6.455
   75    HA   PRO   8           HA       PRO   8  -3.457   0.750  -3.410
   76   1HB   PRO   8          HB2       PRO   8  -3.465  -1.957  -3.806
   77   2HB   PRO   8          HB1       PRO   8  -2.725  -0.817  -4.948
   78   1HG   PRO   8          HG2       PRO   8  -1.442  -2.521  -2.876
   79   2HG   PRO   8          HG1       PRO   8  -0.890  -2.120  -4.510
   80   1HD   PRO   8          HD2       PRO   8   0.089  -0.935  -2.262
   81   2HD   PRO   8          HD1       PRO   8   0.046  -0.142  -3.851
   82    H    ILE   9           HN       ILE   9  -2.109  -1.612  -1.083
   83    HA   ILE   9           HA       ILE   9  -4.504  -2.557   0.063
   84    HB   ILE   9           HB       ILE   9  -1.725  -2.016   1.124
   85   1HG1  ILE   9          HG12      ILE   9  -2.045  -3.778  -0.604
   86   2HG1  ILE   9          HG11      ILE   9  -1.534  -4.458   0.942
   87   1HG2  ILE   9          HG21      ILE   9  -3.930  -3.555   2.527
   88   2HG2  ILE   9          HG22      ILE   9  -3.408  -1.934   2.985
   89   3HG2  ILE   9          HG23      ILE   9  -2.289  -3.291   3.116
   90   1HD1  ILE   9          HD11      ILE   9  -4.238  -4.559  -0.365
   91   2HD1  ILE   9          HD12      ILE   9  -4.112  -4.671   1.390
   92   3HD1  ILE   9          HD13      ILE   9  -3.310  -5.866   0.370
   93    H    LYS  10           HN       LYS  10  -2.627   0.370   0.883
   94    HA   LYS  10           HA       LYS  10  -4.166   1.216   3.124
   95   1HB   LYS  10          HB2       LYS  10  -2.062   2.230   2.670
   96   2HB   LYS  10          HB1       LYS  10  -2.514   2.604   1.006
   97   1HG   LYS  10          HG2       LYS  10  -4.204   3.764   3.172
   98   2HG   LYS  10          HG1       LYS  10  -2.599   4.457   2.939
   99   1HD   LYS  10          HD2       LYS  10  -3.716   4.101   0.355
  100   2HD   LYS  10          HD1       LYS  10  -4.964   4.851   1.352
  101   1HE   LYS  10          HE2       LYS  10  -2.108   5.875   1.273
  102   2HE   LYS  10          HE1       LYS  10  -3.391   6.501   0.218
  103   1HZ   LYS  10          HZ1       LYS  10  -3.306   7.783   2.254
  104   2HZ   LYS  10          HZ2       LYS  10  -3.470   6.373   3.188
  105   3HZ   LYS  10          HZ3       LYS  10  -4.750   6.894   2.200
  106    H    LYS  11           HN       LYS  11  -4.843   1.320  -0.304
  107    HA   LYS  11           HA       LYS  11  -6.939   3.359  -0.109
  108   1HB   LYS  11          HB2       LYS  11  -5.431   1.932  -2.096
  109   2HB   LYS  11          HB1       LYS  11  -7.149   1.763  -2.460
  110   1HG   LYS  11          HG2       LYS  11  -6.614   4.471  -1.646
  111   2HG   LYS  11          HG1       LYS  11  -5.502   4.019  -2.939
  112   1HD   LYS  11          HD2       LYS  11  -7.937   2.950  -3.763
  113   2HD   LYS  11          HD1       LYS  11  -8.378   4.508  -3.062
  114   1HE   LYS  11          HE2       LYS  11  -6.900   5.697  -4.533
  115   2HE   LYS  11          HE1       LYS  11  -6.122   4.193  -5.067
  116   1HZ   LYS  11          HZ1       LYS  11  -9.024   4.329  -5.299
  117   2HZ   LYS  11          HZ2       LYS  11  -7.885   3.609  -6.334
  118   3HZ   LYS  11          HZ3       LYS  11  -8.142   5.288  -6.385
  119    H    LEU  12           HN       LEU  12  -6.813  -0.196  -0.424
  120    HA   LEU  12           HA       LEU  12  -9.686  -0.553  -0.501
  121   1HB   LEU  12          HB2       LEU  12  -7.218  -2.110  -0.503
  122   2HB   LEU  12          HB1       LEU  12  -8.477  -2.892   0.453
  123    HG   LEU  12           HG       LEU  12  -9.455  -1.778  -2.084
  124   1HD1  LEU  12          HD11      LEU  12  -7.082  -2.589  -2.615
  125   2HD1  LEU  12          HD12      LEU  12  -8.383  -3.318  -3.558
  126   3HD1  LEU  12          HD13      LEU  12  -7.659  -4.207  -2.218
  127   1HD2  LEU  12          HD21      LEU  12 -10.284  -4.243  -2.164
  128   2HD2  LEU  12          HD22      LEU  12 -10.923  -3.196  -0.897
  129   3HD2  LEU  12          HD23      LEU  12  -9.646  -4.353  -0.523
  130    H    PHE  13           HN       PHE  13  -7.416   0.049   2.041
  131    HA   PHE  13           HA       PHE  13  -9.403  -0.844   4.100
  132   1HB   PHE  13          HB2       PHE  13  -6.445  -0.751   3.845
  133   2HB   PHE  13          HB1       PHE  13  -7.087  -0.360   5.441
  134    HD1  PHE  13           HD1      PHE  13  -6.310  -2.376   6.546
  135    HD2  PHE  13           HD2      PHE  13  -8.800  -2.598   3.054
  136    HE1  PHE  13           HE1      PHE  13  -6.703  -4.786   6.980
  137    HE2  PHE  13           HE2      PHE  13  -9.193  -5.008   3.487
  138    HZ   PHE  13           HZ       PHE  13  -8.144  -6.102   5.451
  139   1HN   NH2  14          HN1       NH2  14  -9.251   0.682   6.165
  140   2HN   NH2  14          HN2       NH2  14  -9.221   2.350   5.855
  Start of MODEL    2
    1   1H    ILE   1           HT1      ILE   1 -12.645   2.290  -4.003
    2   2H    ILE   1           HT2      ILE   1 -11.244   3.241  -3.867
    3   3H    ILE   1           HT3      ILE   1 -12.519   3.438  -2.761
    4    HA   ILE   1           HA       ILE   1 -11.952   1.619  -1.540
    5    HB   ILE   1           HB       ILE   1 -12.452   0.240  -3.571
    6   1HG1  ILE   1          HG12      ILE   1  -9.898  -0.639  -2.194
    7   2HG1  ILE   1          HG11      ILE   1 -11.487  -0.720  -1.434
    8   1HG2  ILE   1          HG21      ILE   1 -10.859  -0.155  -5.236
    9   2HG2  ILE   1          HG22      ILE   1  -9.513   0.311  -4.197
   10   3HG2  ILE   1          HG23      ILE   1 -10.579   1.546  -4.866
   11   1HD1  ILE   1          HD11      ILE   1 -10.818  -2.031  -4.083
   12   2HD1  ILE   1          HD12      ILE   1 -12.301  -2.225  -3.147
   13   3HD1  ILE   1          HD13      ILE   1 -10.779  -2.871  -2.533
   14    H    LEU   2           HN       LEU   2 -10.230   1.914  -0.176
   15    HA   LEU   2           HA       LEU   2  -7.915   3.448  -0.901
   16   1HB   LEU   2          HB2       LEU   2  -8.881   1.806   1.410
   17   2HB   LEU   2          HB1       LEU   2  -7.185   2.293   1.392
   18    HG   LEU   2           HG       LEU   2  -8.385   4.638   0.699
   19   1HD1  LEU   2          HD11      LEU   2 -10.594   3.282   1.203
   20   2HD1  LEU   2          HD12      LEU   2 -10.438   4.950   1.752
   21   3HD1  LEU   2          HD13      LEU   2 -10.176   3.622   2.882
   22   1HD2  LEU   2          HD21      LEU   2  -8.080   5.257   3.109
   23   2HD2  LEU   2          HD22      LEU   2  -6.697   4.390   2.442
   24   3HD2  LEU   2          HD23      LEU   2  -7.847   3.548   3.481
   25    H    GLY   3           HN       GLY   3  -5.673   2.238  -0.056
   26   1HA   GLY   3          HA2       GLY   3  -5.475  -0.286  -1.652
   27   2HA   GLY   3          HA1       GLY   3  -4.240   0.968  -1.741
   28    H    LYS   4           HN       LYS   4  -5.960  -0.350   1.079
   29    HA   LYS   4           HA       LYS   4  -3.842  -0.321   2.896
   30   1HB   LYS   4          HB2       LYS   4  -6.186  -0.836   3.424
   31   2HB   LYS   4          HB1       LYS   4  -6.063  -2.361   2.545
   32   1HG   LYS   4          HG2       LYS   4  -5.729  -3.003   4.787
   33   2HG   LYS   4          HG1       LYS   4  -4.088  -2.877   4.152
   34   1HD   LYS   4          HD2       LYS   4  -3.839  -0.650   5.102
   35   2HD   LYS   4          HD1       LYS   4  -5.522  -0.653   5.631
   36   1HE   LYS   4          HE2       LYS   4  -3.485  -2.703   6.566
   37   2HE   LYS   4          HE1       LYS   4  -3.890  -1.232   7.473
   38   1HZ   LYS   4          HZ1       LYS   4  -5.660  -3.484   6.738
   39   2HZ   LYS   4          HZ2       LYS   4  -6.295  -1.955   7.117
   40   3HZ   LYS   4          HZ3       LYS   4  -5.390  -2.813   8.271
   41    H    ILE   5           HN       ILE   5  -4.302  -2.455   0.176
   42    HA   ILE   5           HA       ILE   5  -2.146  -4.277   1.152
   43    HB   ILE   5           HB       ILE   5  -4.301  -5.234   0.415
   44   1HG1  ILE   5          HG12      ILE   5  -2.190  -5.791  -1.685
   45   2HG1  ILE   5          HG11      ILE   5  -2.067  -6.385  -0.029
   46   1HG2  ILE   5          HG21      ILE   5  -3.843  -3.356  -1.795
   47   2HG2  ILE   5          HG22      ILE   5  -5.350  -4.070  -1.223
   48   3HG2  ILE   5          HG23      ILE   5  -4.318  -4.965  -2.338
   49   1HD1  ILE   5          HD11      ILE   5  -3.971  -7.180  -2.191
   50   2HD1  ILE   5          HD12      ILE   5  -4.552  -7.214  -0.526
   51   3HD1  ILE   5          HD13      ILE   5  -3.153  -8.182  -0.992
   52    H    TRP   6           HN       TRP   6  -2.164  -1.434  -0.348
   53    HA   TRP   6           HA       TRP   6   0.142  -2.154  -2.094
   54   1HB   TRP   6          HB2       TRP   6  -2.286  -1.897  -3.171
   55   2HB   TRP   6          HB1       TRP   6  -1.881  -0.182  -3.077
   56    HD1  TRP   6           HD1      TRP   6  -1.049   0.541  -5.364
   57    HE1  TRP   6           HE1      TRP   6   0.614  -0.389  -7.101
   58    HE3  TRP   6           HE3      TRP   6   0.145  -3.904  -3.151
   59    HZ2  TRP   6           HZ2      TRP   6   2.236  -2.712  -7.499
   60    HZ3  TRP   6           HZ3      TRP   6   1.750  -5.455  -4.229
   61    HH2  TRP   6           HH2      TRP   6   2.796  -4.865  -6.398
   62    H    LYS   7           HN       LYS   7  -1.821   0.500  -0.750
   63    HA   LYS   7           HA       LYS   7  -0.011   2.635  -1.054
   64   1HB   LYS   7          HB2       LYS   7  -2.395   1.963   0.405
   65   2HB   LYS   7          HB1       LYS   7  -1.300   2.835   1.480
   66   1HG   LYS   7          HG2       LYS   7  -1.954   3.792  -1.315
   67   2HG   LYS   7          HG1       LYS   7  -2.871   4.294   0.106
   68   1HD   LYS   7          HD2       LYS   7  -0.157   4.610   0.802
   69   2HD   LYS   7          HD1       LYS   7  -0.310   5.257  -0.832
   70   1HE   LYS   7          HE2       LYS   7  -2.184   5.999   1.442
   71   2HE   LYS   7          HE1       LYS   7  -0.781   6.971   0.956
   72   1HZ   LYS   7          HZ1       LYS   7  -1.645   7.062  -1.289
   73   2HZ   LYS   7          HZ2       LYS   7  -2.802   7.674  -0.205
   74   3HZ   LYS   7          HZ3       LYS   7  -2.980   6.113  -0.851
   75    HA   PRO   8           HA       PRO   8   1.938   1.513   3.147
   76   1HB   PRO   8          HB2       PRO   8   1.356  -0.921   4.251
   77   2HB   PRO   8          HB1       PRO   8   0.416   0.545   4.596
   78   1HG   PRO   8          HG2       PRO   8  -0.195  -1.703   2.748
   79   2HG   PRO   8          HG1       PRO   8  -1.277  -0.783   3.804
   80   1HD   PRO   8          HD2       PRO   8  -1.081  -0.361   1.120
   81   2HD   PRO   8          HD1       PRO   8  -1.547   0.900   2.281
   82    H    ILE   9           HN       ILE   9   1.267  -1.355   1.129
   83    HA   ILE   9           HA       ILE   9   3.761  -2.686   1.468
   84    HB   ILE   9           HB       ILE   9   1.650  -2.542  -0.687
   85   1HG1  ILE   9          HG12      ILE   9   1.597  -5.053   0.121
   86   2HG1  ILE   9          HG11      ILE   9   2.449  -4.410   1.525
   87   1HG2  ILE   9          HG21      ILE   9   4.314  -3.931  -0.746
   88   2HG2  ILE   9          HG22      ILE   9   3.454  -3.116  -2.053
   89   3HG2  ILE   9          HG23      ILE   9   2.919  -4.703  -1.500
   90   1HD1  ILE   9          HD11      ILE   9  -0.282  -4.427   1.237
   91   2HD1  ILE   9          HD12      ILE   9   0.128  -2.800   0.693
   92   3HD1  ILE   9          HD13      ILE   9   0.605  -3.338   2.303
   93    H    LYS  10           HN       LYS  10   2.758  -0.159  -0.842
   94    HA   LYS  10           HA       LYS  10   5.157  -0.133  -2.406
   95   1HB   LYS  10          HB2       LYS  10   2.820   0.911  -2.787
   96   2HB   LYS  10          HB1       LYS  10   3.403   2.249  -1.797
   97   1HG   LYS  10          HG2       LYS  10   4.728   1.221  -4.325
   98   2HG   LYS  10          HG1       LYS  10   3.780   2.703  -4.193
   99   1HD   LYS  10          HD2       LYS  10   5.479   3.238  -2.235
  100   2HD   LYS  10          HD1       LYS  10   6.504   2.095  -3.104
  101   1HE   LYS  10          HE2       LYS  10   5.154   4.456  -4.454
  102   2HE   LYS  10          HE1       LYS  10   6.817   4.500  -3.833
  103   1HZ   LYS  10          HZ1       LYS  10   7.536   2.989  -5.351
  104   2HZ   LYS  10          HZ2       LYS  10   6.281   3.673  -6.271
  105   3HZ   LYS  10          HZ3       LYS  10   6.038   2.200  -5.459
  106    H    LYS  11           HN       LYS  11   4.195   1.672   0.502
  107    HA   LYS  11           HA       LYS  11   6.460   3.406   0.656
  108   1HB   LYS  11          HB2       LYS  11   4.576   2.200   2.700
  109   2HB   LYS  11          HB1       LYS  11   5.756   3.447   3.106
  110   1HG   LYS  11          HG2       LYS  11   3.556   3.692   1.031
  111   2HG   LYS  11          HG1       LYS  11   3.575   4.469   2.615
  112   1HD   LYS  11          HD2       LYS  11   5.838   5.484   1.865
  113   2HD   LYS  11          HD1       LYS  11   5.346   5.016   0.236
  114   1HE   LYS  11          HE2       LYS  11   3.425   6.555   1.974
  115   2HE   LYS  11          HE1       LYS  11   4.706   7.412   1.094
  116   1HZ   LYS  11          HZ1       LYS  11   2.848   7.241  -0.362
  117   2HZ   LYS  11          HZ2       LYS  11   2.658   5.584  -0.038
  118   3HZ   LYS  11          HZ3       LYS  11   4.008   6.133  -0.911
  119    H    LEU  12           HN       LEU  12   5.847   0.377   2.483
  120    HA   LEU  12           HA       LEU  12   8.819   0.075   2.767
  121   1HB   LEU  12          HB2       LEU  12   6.449  -0.348   4.533
  122   2HB   LEU  12          HB1       LEU  12   7.810  -1.452   4.733
  123    HG   LEU  12           HG       LEU  12   8.338   1.496   4.571
  124   1HD1  LEU  12          HD11      LEU  12   6.758   1.638   6.278
  125   2HD1  LEU  12          HD12      LEU  12   8.222   1.290   7.197
  126   3HD1  LEU  12          HD13      LEU  12   7.074  -0.002   6.845
  127   1HD2  LEU  12          HD21      LEU  12   9.877   0.233   6.543
  128   2HD2  LEU  12          HD22      LEU  12  10.401   0.639   4.909
  129   3HD2  LEU  12          HD23      LEU  12   9.745  -0.962   5.252
  130    H    PHE  13           HN       PHE  13   9.268  -1.291   1.009
  131    HA   PHE  13           HA       PHE  13   7.604  -3.399   0.046
  132   1HB   PHE  13          HB2       PHE  13  10.512  -2.650  -0.078
  133   2HB   PHE  13          HB1       PHE  13   9.990  -4.191  -0.760
  134    HD1  PHE  13           HD1      PHE  13  10.434  -3.594  -3.075
  135    HD2  PHE  13           HD2      PHE  13   7.813  -1.210  -0.646
  136    HE1  PHE  13           HE1      PHE  13   9.618  -2.424  -5.103
  137    HE2  PHE  13           HE2      PHE  13   7.000  -0.039  -2.674
  138    HZ   PHE  13           HZ       PHE  13   7.901  -0.646  -4.902
  139   1HN   NH2  14          HN1       NH2  14   7.212  -5.448   0.943
  140   2HN   NH2  14          HN2       NH2  14   8.134  -6.169   2.171
  Start of MODEL    3
    1   1H    ILE   1           HT1      ILE   1  10.085  -1.039  -3.061
    2   2H    ILE   1           HT2      ILE   1   8.898  -1.506  -1.939
    3   3H    ILE   1           HT3      ILE   1  10.438  -1.029  -1.402
    4    HA   ILE   1           HA       ILE   1  10.058   1.230  -2.110
    5    HB   ILE   1           HB       ILE   1   8.739   0.335  -4.100
    6   1HG1  ILE   1          HG12      ILE   1   7.018   2.447  -2.943
    7   2HG1  ILE   1          HG11      ILE   1   8.745   2.803  -2.924
    8   1HG2  ILE   1          HG21      ILE   1   6.479   0.405  -2.077
    9   2HG2  ILE   1          HG22      ILE   1   7.195  -1.066  -2.734
   10   3HG2  ILE   1          HG23      ILE   1   6.329   0.044  -3.796
   11   1HD1  ILE   1          HD11      ILE   1   7.684   3.586  -5.021
   12   2HD1  ILE   1          HD12      ILE   1   7.167   1.935  -5.365
   13   3HD1  ILE   1          HD13      ILE   1   8.885   2.332  -5.333
   14    H    LEU   2           HN       LEU   2   9.515  -0.658   0.207
   15    HA   LEU   2           HA       LEU   2   8.539  -0.502   2.351
   16   1HB   LEU   2          HB2       LEU   2   8.013   2.311   1.338
   17   2HB   LEU   2          HB1       LEU   2   8.016   1.810   3.028
   18    HG   LEU   2           HG       LEU   2  10.372   1.720   1.122
   19   1HD1  LEU   2          HD11      LEU   2   9.609   3.450   3.475
   20   2HD1  LEU   2          HD12      LEU   2  10.106   3.954   1.860
   21   3HD1  LEU   2          HD13      LEU   2  11.290   3.272   2.974
   22   1HD2  LEU   2          HD21      LEU   2   9.932   0.646   3.906
   23   2HD2  LEU   2          HD22      LEU   2  11.545   1.119   3.371
   24   3HD2  LEU   2          HD23      LEU   2  10.672  -0.155   2.519
   25    H    GLY   3           HN       GLY   3   6.467  -0.754   3.315
   26   1HA   GLY   3          HA2       GLY   3   4.205  -1.420   3.202
   27   2HA   GLY   3          HA1       GLY   3   3.995   0.190   2.512
   28    H    LYS   4           HN       LYS   4   5.928  -2.281   0.942
   29    HA   LYS   4           HA       LYS   4   4.736  -2.012  -1.600
   30   1HB   LYS   4          HB2       LYS   4   6.890  -3.083  -1.169
   31   2HB   LYS   4          HB1       LYS   4   6.098  -4.371  -0.261
   32   1HG   LYS   4          HG2       LYS   4   6.683  -4.972  -2.651
   33   2HG   LYS   4          HG1       LYS   4   4.982  -5.182  -2.234
   34   1HD   LYS   4          HD2       LYS   4   4.298  -3.416  -3.541
   35   2HD   LYS   4          HD1       LYS   4   5.799  -2.520  -3.298
   36   1HE   LYS   4          HE2       LYS   4   6.114  -3.188  -5.502
   37   2HE   LYS   4          HE1       LYS   4   6.792  -4.610  -4.683
   38   1HZ   LYS   4          HZ1       LYS   4   4.073  -4.252  -5.793
   39   2HZ   LYS   4          HZ2       LYS   4   4.396  -5.430  -4.612
   40   3HZ   LYS   4          HZ3       LYS   4   5.187  -5.490  -6.114
   41    H    ILE   5           HN       ILE   5   3.525  -3.617   1.216
   42    HA   ILE   5           HA       ILE   5   1.339  -4.839  -0.439
   43    HB   ILE   5           HB       ILE   5   1.369  -6.699   1.148
   44   1HG1  ILE   5          HG12      ILE   5   3.720  -5.363   2.504
   45   2HG1  ILE   5          HG11      ILE   5   2.066  -5.157   3.082
   46   1HG2  ILE   5          HG21      ILE   5   4.102  -7.026   0.899
   47   2HG2  ILE   5          HG22      ILE   5   3.734  -5.874  -0.385
   48   3HG2  ILE   5          HG23      ILE   5   2.914  -7.435  -0.338
   49   1HD1  ILE   5          HD11      ILE   5   2.426  -7.933   2.633
   50   2HD1  ILE   5          HD12      ILE   5   2.242  -7.110   4.182
   51   3HD1  ILE   5          HD13      ILE   5   3.851  -7.374   3.509
   52    H    TRP   6           HN       TRP   6   1.833  -2.282   1.387
   53    HA   TRP   6           HA       TRP   6  -0.841  -2.458   2.693
   54   1HB   TRP   6          HB2       TRP   6   0.713  -3.060   4.427
   55   2HB   TRP   6          HB1       TRP   6   1.816  -1.762   3.967
   56    HD1  TRP   6           HD1      TRP   6   1.697   0.176   5.588
   57    HE1  TRP   6           HE1      TRP   6  -0.145   1.319   6.983
   58    HE3  TRP   6           HE3      TRP   6  -2.304  -2.729   4.313
   59    HZ2  TRP   6           HZ2      TRP   6  -2.946   1.038   7.491
   60    HZ3  TRP   6           HZ3      TRP   6  -4.545  -2.271   5.266
   61    HH2  TRP   6           HH2      TRP   6  -4.871  -0.393   6.852
   62    H    LYS   7           HN       LYS   7   1.906  -0.441   1.705
   63    HA   LYS   7           HA       LYS   7   0.748   2.120   2.100
   64   1HB   LYS   7          HB2       LYS   7   3.052   1.992   1.616
   65   2HB   LYS   7          HB1       LYS   7   2.796   0.931   0.233
   66   1HG   LYS   7          HG2       LYS   7   2.125   2.678  -1.157
   67   2HG   LYS   7          HG1       LYS   7   1.619   3.692   0.195
   68   1HD   LYS   7          HD2       LYS   7   4.297   3.367   0.713
   69   2HD   LYS   7          HD1       LYS   7   4.274   3.416  -1.050
   70   1HE   LYS   7          HE2       LYS   7   3.315   5.578  -1.099
   71   2HE   LYS   7          HE1       LYS   7   2.765   5.465   0.585
   72   1HZ   LYS   7          HZ1       LYS   7   4.866   5.756   1.400
   73   2HZ   LYS   7          HZ2       LYS   7   4.981   6.706  -0.005
   74   3HZ   LYS   7          HZ3       LYS   7   5.622   5.132   0.016
   75    HA   PRO   8           HA       PRO   8  -1.161   1.695  -2.176
   76   1HB   PRO   8          HB2       PRO   8  -1.176  -0.722  -3.456
   77   2HB   PRO   8          HB1       PRO   8   0.163   0.436  -3.598
   78   1HG   PRO   8          HG2       PRO   8  -0.056  -2.004  -1.909
   79   2HG   PRO   8          HG1       PRO   8   1.331  -1.379  -2.816
   80   1HD   PRO   8          HD2       PRO   8   1.056  -1.074  -0.134
   81   2HD   PRO   8          HD1       PRO   8   1.922   0.087  -1.162
   82    H    ILE   9           HN       ILE   9  -1.510  -1.510  -0.611
   83    HA   ILE   9           HA       ILE   9  -4.208  -2.034  -1.157
   84    HB   ILE   9           HB       ILE   9  -2.389  -2.556   1.197
   85   1HG1  ILE   9          HG12      ILE   9  -2.938  -4.954   0.170
   86   2HG1  ILE   9          HG11      ILE   9  -3.314  -3.993  -1.261
   87   1HG2  ILE   9          HG21      ILE   9  -4.223  -4.336   1.744
   88   2HG2  ILE   9          HG22      ILE   9  -5.297  -3.260   0.849
   89   3HG2  ILE   9          HG23      ILE   9  -4.465  -2.676   2.291
   90   1HD1  ILE   9          HD11      ILE   9  -0.832  -3.137   0.017
   91   2HD1  ILE   9          HD12      ILE   9  -1.133  -3.569  -1.666
   92   3HD1  ILE   9          HD13      ILE   9  -0.776  -4.827  -0.482
   93    H    LYS  10           HN       LYS  10  -2.834   0.365   0.991
   94    HA   LYS  10           HA       LYS  10  -5.294   0.833   2.503
   95   1HB   LYS  10          HB2       LYS  10  -3.042   1.230   3.413
   96   2HB   LYS  10          HB1       LYS  10  -2.729   2.417   2.146
   97   1HG   LYS  10          HG2       LYS  10  -5.209   2.889   3.673
   98   2HG   LYS  10          HG1       LYS  10  -3.728   3.035   4.620
   99   1HD   LYS  10          HD2       LYS  10  -3.122   4.335   2.230
  100   2HD   LYS  10          HD1       LYS  10  -4.787   4.814   2.565
  101   1HE   LYS  10          HE2       LYS  10  -4.200   6.013   4.432
  102   2HE   LYS  10          HE1       LYS  10  -2.938   4.854   4.897
  103   1HZ   LYS  10          HZ1       LYS  10  -1.443   5.736   3.405
  104   2HZ   LYS  10          HZ2       LYS  10  -2.255   7.140   3.912
  105   3HZ   LYS  10          HZ3       LYS  10  -2.644   6.421   2.422
  106    H    LYS  11           HN       LYS  11  -3.782   2.119  -0.403
  107    HA   LYS  11           HA       LYS  11  -5.629   4.408  -0.578
  108   1HB   LYS  11          HB2       LYS  11  -3.093   3.922  -1.402
  109   2HB   LYS  11          HB1       LYS  11  -3.969   3.520  -2.879
  110   1HG   LYS  11          HG2       LYS  11  -5.233   5.806  -2.285
  111   2HG   LYS  11          HG1       LYS  11  -3.693   6.147  -1.495
  112   1HD   LYS  11          HD2       LYS  11  -3.281   6.925  -3.654
  113   2HD   LYS  11          HD1       LYS  11  -2.668   5.275  -3.756
  114   1HE   LYS  11          HE2       LYS  11  -4.040   5.442  -5.674
  115   2HE   LYS  11          HE1       LYS  11  -5.128   4.691  -4.490
  116   1HZ   LYS  11          HZ1       LYS  11  -5.864   6.926  -3.846
  117   2HZ   LYS  11          HZ2       LYS  11  -6.206   6.597  -5.477
  118   3HZ   LYS  11          HZ3       LYS  11  -4.896   7.598  -5.065
  119    H    LEU  12           HN       LEU  12  -5.184   1.234  -2.119
  120    HA   LEU  12           HA       LEU  12  -7.207   1.569  -4.146
  121   1HB   LEU  12          HB2       LEU  12  -6.159  -0.943  -2.802
  122   2HB   LEU  12          HB1       LEU  12  -6.887  -0.837  -4.404
  123    HG   LEU  12           HG       LEU  12  -4.259   0.361  -3.500
  124   1HD1  LEU  12          HD11      LEU  12  -3.591  -0.977  -5.647
  125   2HD1  LEU  12          HD12      LEU  12  -5.117  -1.822  -5.387
  126   3HD1  LEU  12          HD13      LEU  12  -3.866  -1.860  -4.144
  127   1HD2  LEU  12          HD21      LEU  12  -5.483   1.981  -4.900
  128   2HD2  LEU  12          HD22      LEU  12  -5.753   0.734  -6.117
  129   3HD2  LEU  12          HD23      LEU  12  -4.117   1.304  -5.787
  130    H    PHE  13           HN       PHE  13  -7.323   0.808  -0.745
  131    HA   PHE  13           HA       PHE  13 -10.059  -0.310  -0.896
  132   1HB   PHE  13          HB2       PHE  13  -7.813  -0.522   0.783
  133   2HB   PHE  13          HB1       PHE  13  -9.023   0.327   1.746
  134    HD1  PHE  13           HD1      PHE  13 -11.547  -0.690   1.201
  135    HD2  PHE  13           HD2      PHE  13  -7.823  -2.826   1.077
  136    HE1  PHE  13           HE1      PHE  13 -12.759  -2.824   1.562
  137    HE2  PHE  13           HE2      PHE  13  -9.034  -4.960   1.438
  138    HZ   PHE  13           HZ       PHE  13 -11.502  -4.959   1.681
  139   1HN   NH2  14          HN1       NH2  14 -10.776   0.986   1.733
  140   2HN   NH2  14          HN2       NH2  14 -11.225   2.579   1.355
  Start of MODEL    4
    1   1H    ILE   1           HT1      ILE   1   7.193   5.207  -1.141
    2   2H    ILE   1           HT2      ILE   1   7.279   4.333   0.314
    3   3H    ILE   1           HT3      ILE   1   6.653   3.600  -1.086
    4    HA   ILE   1           HA       ILE   1   8.952   4.047  -2.110
    5    HB   ILE   1           HB       ILE   1   9.292   4.488   0.866
    6   1HG1  ILE   1          HG12      ILE   1  10.783   6.338  -0.555
    7   2HG1  ILE   1          HG11      ILE   1   9.360   6.122  -1.574
    8   1HG2  ILE   1          HG21      ILE   1  11.369   3.828  -1.239
    9   2HG2  ILE   1          HG22      ILE   1  11.037   2.943   0.250
   10   3HG2  ILE   1          HG23      ILE   1  11.764   4.548   0.321
   11   1HD1  ILE   1          HD11      ILE   1   8.336   7.580  -0.178
   12   2HD1  ILE   1          HD12      ILE   1   9.594   7.415   1.046
   13   3HD1  ILE   1          HD13      ILE   1   8.279   6.243   0.971
   14    H    LEU   2           HN       LEU   2   8.245   2.441   1.024
   15    HA   LEU   2           HA       LEU   2   9.406  -0.085  -0.001
   16   1HB   LEU   2          HB2       LEU   2   8.480   1.050   2.623
   17   2HB   LEU   2          HB1       LEU   2   8.668  -0.696   2.461
   18    HG   LEU   2           HG       LEU   2  10.949   0.617   1.296
   19   1HD1  LEU   2          HD11      LEU   2  10.970   1.158   4.207
   20   2HD1  LEU   2          HD12      LEU   2   9.947   2.228   3.250
   21   3HD1  LEU   2          HD13      LEU   2  11.667   2.092   2.884
   22   1HD2  LEU   2          HD21      LEU   2  11.088  -1.646   2.044
   23   2HD2  LEU   2          HD22      LEU   2  10.448  -1.235   3.636
   24   3HD2  LEU   2          HD23      LEU   2  12.072  -0.720   3.178
   25    H    GLY   3           HN       GLY   3   8.143  -1.757  -0.739
   26   1HA   GLY   3          HA2       GLY   3   6.236  -3.042  -1.208
   27   2HA   GLY   3          HA1       GLY   3   5.489  -2.311   0.212
   28    H    LYS   4           HN       LYS   4   6.039  -1.912  -3.245
   29    HA   LYS   4           HA       LYS   4   4.341   0.489  -3.399
   30   1HB   LYS   4          HB2       LYS   4   5.600  -1.320  -5.491
   31   2HB   LYS   4          HB1       LYS   4   4.861   0.249  -5.817
   32   1HG   LYS   4          HG2       LYS   4   6.890   1.157  -5.433
   33   2HG   LYS   4          HG1       LYS   4   6.641   0.762  -3.732
   34   1HD   LYS   4          HD2       LYS   4   7.450  -1.650  -4.901
   35   2HD   LYS   4          HD1       LYS   4   8.486  -0.428  -5.639
   36   1HE   LYS   4          HE2       LYS   4   8.083  -0.153  -2.706
   37   2HE   LYS   4          HE1       LYS   4   9.046  -1.548  -3.233
   38   1HZ   LYS   4          HZ1       LYS   4   9.454   1.274  -4.077
   39   2HZ   LYS   4          HZ2       LYS   4  10.341  -0.058  -4.647
   40   3HZ   LYS   4          HZ3       LYS   4  10.450   0.404  -3.016
   41    H    ILE   5           HN       ILE   5   3.484  -2.498  -2.670
   42    HA   ILE   5           HA       ILE   5   1.103  -2.525  -4.497
   43    HB   ILE   5           HB       ILE   5   2.915  -4.342  -4.675
   44   1HG1  ILE   5          HG12      ILE   5   0.458  -4.482  -5.423
   45   2HG1  ILE   5          HG11      ILE   5   1.298  -6.012  -5.178
   46   1HG2  ILE   5          HG21      ILE   5   2.823  -6.116  -2.980
   47   2HG2  ILE   5          HG22      ILE   5   1.626  -5.197  -2.066
   48   3HG2  ILE   5          HG23      ILE   5   3.270  -4.581  -2.235
   49   1HD1  ILE   5          HD11      ILE   5  -1.092  -5.118  -3.921
   50   2HD1  ILE   5          HD12      ILE   5   0.155  -5.182  -2.677
   51   3HD1  ILE   5          HD13      ILE   5  -0.214  -6.618  -3.629
   52    H    TRP   6           HN       TRP   6   2.297  -2.582  -1.225
   53    HA   TRP   6           HA       TRP   6  -0.430  -3.186  -0.163
   54   1HB   TRP   6          HB2       TRP   6   1.886  -4.277   0.506
   55   2HB   TRP   6          HB1       TRP   6   2.049  -2.825   1.493
   56    HD1  TRP   6           HD1      TRP   6   1.178  -3.148   3.846
   57    HE1  TRP   6           HE1      TRP   6  -0.688  -4.534   4.961
   58    HE3  TRP   6           HE3      TRP   6  -0.760  -5.485  -0.261
   59    HZ2  TRP   6           HZ2      TRP   6  -2.732  -6.389   4.210
   60    HZ3  TRP   6           HZ3      TRP   6  -2.664  -7.054  -0.033
   61    HH2  TRP   6           HH2      TRP   6  -3.652  -7.510   2.195
   62    H    LYS   7           HN       LYS   7   1.565  -0.557  -0.918
   63    HA   LYS   7           HA       LYS   7   1.009   1.213   1.293
   64   1HB   LYS   7          HB2       LYS   7   2.092   1.321  -1.476
   65   2HB   LYS   7          HB1       LYS   7   1.501   2.845  -0.812
   66   1HG   LYS   7          HG2       LYS   7   3.206   1.183   0.974
   67   2HG   LYS   7          HG1       LYS   7   4.011   1.966  -0.387
   68   1HD   LYS   7          HD2       LYS   7   3.777   4.035   0.513
   69   2HD   LYS   7          HD1       LYS   7   2.125   3.715   1.043
   70   1HE   LYS   7          HE2       LYS   7   3.709   2.057   2.663
   71   2HE   LYS   7          HE1       LYS   7   4.583   3.601   2.593
   72   1HZ   LYS   7          HZ1       LYS   7   2.916   3.733   4.303
   73   2HZ   LYS   7          HZ2       LYS   7   1.704   3.220   3.228
   74   3HZ   LYS   7          HZ3       LYS   7   2.449   4.732   3.014
   75    HA   PRO   8           HA       PRO   8  -2.659   2.599  -1.230
   76   1HB   PRO   8          HB2       PRO   8  -3.190   1.540  -3.696
   77   2HB   PRO   8          HB1       PRO   8  -2.040   2.869  -3.444
   78   1HG   PRO   8          HG2       PRO   8  -1.521  -0.033  -3.839
   79   2HG   PRO   8          HG1       PRO   8  -0.635   1.368  -4.461
   80   1HD   PRO   8          HD2       PRO   8   0.204  -0.108  -2.335
   81   2HD   PRO   8          HD1       PRO   8   0.586   1.615  -2.544
   82    H    ILE   9           HN       ILE   9  -2.145  -0.878  -1.747
   83    HA   ILE   9           HA       ILE   9  -4.851  -1.737  -1.841
   84    HB   ILE   9           HB       ILE   9  -2.238  -2.931  -0.907
   85   1HG1  ILE   9          HG12      ILE   9  -2.701  -2.482  -3.345
   86   2HG1  ILE   9          HG11      ILE   9  -2.412  -4.182  -2.976
   87   1HG2  ILE   9          HG21      ILE   9  -3.531  -5.146  -0.995
   88   2HG2  ILE   9          HG22      ILE   9  -4.997  -4.170  -0.892
   89   3HG2  ILE   9          HG23      ILE   9  -3.816  -4.129   0.417
   90   1HD1  ILE   9          HD11      ILE   9  -5.098  -2.842  -3.389
   91   2HD1  ILE   9          HD12      ILE   9  -4.903  -4.497  -2.812
   92   3HD1  ILE   9          HD13      ILE   9  -4.347  -4.054  -4.426
   93    H    LYS  10           HN       LYS  10  -2.673  -1.378   0.984
   94    HA   LYS  10           HA       LYS  10  -4.660  -2.146   2.932
   95   1HB   LYS  10          HB2       LYS  10  -2.237  -2.265   3.301
   96   2HB   LYS  10          HB1       LYS  10  -2.107  -0.515   3.113
   97   1HG   LYS  10          HG2       LYS  10  -3.997  -1.613   5.165
   98   2HG   LYS  10          HG1       LYS  10  -2.271  -1.578   5.526
   99   1HD   LYS  10          HD2       LYS  10  -2.418   0.898   4.669
  100   2HD   LYS  10          HD1       LYS  10  -4.139   0.718   5.009
  101   1HE   LYS  10          HE2       LYS  10  -3.764   0.340   7.321
  102   2HE   LYS  10          HE1       LYS  10  -2.043  -0.012   7.067
  103   1HZ   LYS  10          HZ1       LYS  10  -3.002   2.551   6.079
  104   2HZ   LYS  10          HZ2       LYS  10  -1.529   2.160   6.828
  105   3HZ   LYS  10          HZ3       LYS  10  -2.926   2.394   7.766
  106    H    LYS  11           HN       LYS  11  -3.758   0.911   1.431
  107    HA   LYS  11           HA       LYS  11  -4.975   2.733   3.241
  108   1HB   LYS  11          HB2       LYS  11  -3.885   2.649   0.562
  109   2HB   LYS  11          HB1       LYS  11  -5.322   3.672   0.597
  110   1HG   LYS  11          HG2       LYS  11  -4.014   4.402   2.917
  111   2HG   LYS  11          HG1       LYS  11  -2.680   4.123   1.796
  112   1HD   LYS  11          HD2       LYS  11  -3.108   6.234   1.078
  113   2HD   LYS  11          HD1       LYS  11  -4.460   5.498   0.218
  114   1HE   LYS  11          HE2       LYS  11  -6.014   6.390   1.645
  115   2HE   LYS  11          HE1       LYS  11  -4.980   6.155   3.068
  116   1HZ   LYS  11          HZ1       LYS  11  -3.541   7.946   2.220
  117   2HZ   LYS  11          HZ2       LYS  11  -5.110   8.493   2.576
  118   3HZ   LYS  11          HZ3       LYS  11  -4.645   8.227   0.963
  119    H    LEU  12           HN       LEU  12  -6.359   1.107   0.364
  120    HA   LEU  12           HA       LEU  12  -9.013   1.019   1.575
  121   1HB   LEU  12          HB2       LEU  12 -10.017   2.589  -0.085
  122   2HB   LEU  12          HB1       LEU  12  -8.846   3.391   0.962
  123    HG   LEU  12           HG       LEU  12  -7.420   2.316  -1.262
  124   1HD1  LEU  12          HD11      LEU  12  -8.799   4.108  -2.813
  125   2HD1  LEU  12          HD12      LEU  12 -10.107   3.355  -1.899
  126   3HD1  LEU  12          HD13      LEU  12  -9.025   2.360  -2.873
  127   1HD2  LEU  12          HD21      LEU  12  -8.128   5.221  -0.994
  128   2HD2  LEU  12          HD22      LEU  12  -6.571   4.483  -1.370
  129   3HD2  LEU  12          HD23      LEU  12  -7.184   4.453   0.283
  130    H    PHE  13           HN       PHE  13  -7.909  -1.187   0.755
  131    HA   PHE  13           HA       PHE  13  -7.767  -1.915  -1.955
  132   1HB   PHE  13          HB2       PHE  13  -8.517  -4.213  -0.936
  133   2HB   PHE  13          HB1       PHE  13  -7.005  -3.489  -0.402
  134    HD1  PHE  13           HD1      PHE  13 -10.247  -2.049   0.629
  135    HD2  PHE  13           HD2      PHE  13  -7.044  -4.695   1.727
  136    HE1  PHE  13           HE1      PHE  13 -11.062  -2.065   2.966
  137    HE2  PHE  13           HE2      PHE  13  -7.860  -4.705   4.067
  138    HZ   PHE  13           HZ       PHE  13  -9.868  -3.391   4.687
  139   1HN   NH2  14          HN1       NH2  14  -9.631  -0.673  -2.966
  140   2HN   NH2  14          HN2       NH2  14 -11.183  -1.362  -2.943
  Start of MODEL    5
    1   1H    ILE   1           HT1      ILE   1  11.552  -2.841   2.654
    2   2H    ILE   1           HT2      ILE   1  11.198  -2.305   1.081
    3   3H    ILE   1           HT3      ILE   1  11.689  -3.909   1.344
    4    HA   ILE   1           HA       ILE   1   9.473  -4.323   1.244
    5    HB   ILE   1           HB       ILE   1   8.647  -4.401   3.549
    6   1HG1  ILE   1          HG12      ILE   1  10.961  -2.706   4.449
    7   2HG1  ILE   1          HG11      ILE   1   9.484  -1.922   3.889
    8   1HG2  ILE   1          HG21      ILE   1  11.391  -4.749   4.343
    9   2HG2  ILE   1          HG22      ILE   1  11.193  -5.307   2.682
   10   3HG2  ILE   1          HG23      ILE   1  10.191  -5.985   3.965
   11   1HD1  ILE   1          HD11      ILE   1   9.781  -3.874   6.181
   12   2HD1  ILE   1          HD12      ILE   1   8.215  -3.425   5.505
   13   3HD1  ILE   1          HD13      ILE   1   9.236  -2.198   6.255
   14    H    LEU   2           HN       LEU   2   9.746  -1.803   0.023
   15    HA   LEU   2           HA       LEU   2   7.913   0.115   1.275
   16   1HB   LEU   2          HB2       LEU   2   8.445   1.399  -0.761
   17   2HB   LEU   2          HB1       LEU   2   9.917   0.735  -0.056
   18    HG   LEU   2           HG       LEU   2   8.776  -1.195  -1.859
   19   1HD1  LEU   2          HD11      LEU   2   9.577   0.645  -3.789
   20   2HD1  LEU   2          HD12      LEU   2   8.570   1.596  -2.698
   21   3HD1  LEU   2          HD13      LEU   2   7.917   0.147  -3.462
   22   1HD2  LEU   2          HD21      LEU   2  11.200   0.190  -2.732
   23   2HD2  LEU   2          HD22      LEU   2  10.984  -1.496  -2.260
   24   3HD2  LEU   2          HD23      LEU   2  11.269  -0.265  -1.029
   25    H    GLY   3           HN       GLY   3   6.808   0.814  -1.443
   26   1HA   GLY   3          HA2       GLY   3   5.379  -0.894  -2.908
   27   2HA   GLY   3          HA1       GLY   3   4.540  -1.092  -1.369
   28    H    LYS   4           HN       LYS   4   5.211   1.143  -3.992
   29    HA   LYS   4           HA       LYS   4   3.920   3.470  -2.964
   30   1HB   LYS   4          HB2       LYS   4   5.341   3.453  -4.946
   31   2HB   LYS   4          HB1       LYS   4   4.231   2.358  -5.771
   32   1HG   LYS   4          HG2       LYS   4   3.996   4.806  -6.408
   33   2HG   LYS   4          HG1       LYS   4   2.511   4.030  -5.858
   34   1HD   LYS   4          HD2       LYS   4   2.909   4.935  -3.577
   35   2HD   LYS   4          HD1       LYS   4   4.343   5.767  -4.179
   36   1HE   LYS   4          HE2       LYS   4   1.469   6.231  -5.050
   37   2HE   LYS   4          HE1       LYS   4   2.539   7.378  -4.218
   38   1HZ   LYS   4          HZ1       LYS   4   2.833   6.269  -6.952
   39   2HZ   LYS   4          HZ2       LYS   4   4.114   7.029  -6.135
   40   3HZ   LYS   4          HZ3       LYS   4   2.701   7.898  -6.499
   41    H    ILE   5           HN       ILE   5   2.634   0.467  -4.205
   42    HA   ILE   5           HA       ILE   5  -0.132   1.555  -3.837
   43    HB   ILE   5           HB       ILE   5  -0.761   0.284  -5.875
   44   1HG1  ILE   5          HG12      ILE   5   2.188  -0.129  -6.366
   45   2HG1  ILE   5          HG11      ILE   5   1.234  -1.340  -5.508
   46   1HG2  ILE   5          HG21      ILE   5   0.069   2.691  -5.941
   47   2HG2  ILE   5          HG22      ILE   5   0.206   1.803  -7.459
   48   3HG2  ILE   5          HG23      ILE   5   1.631   2.049  -6.449
   49   1HD1  ILE   5          HD11      ILE   5   0.538  -0.241  -8.247
   50   2HD1  ILE   5          HD12      ILE   5  -0.286  -1.549  -7.399
   51   3HD1  ILE   5          HD13      ILE   5   1.368  -1.772  -7.969
   52    H    TRP   6           HN       TRP   6   1.626  -0.127  -2.095
   53    HA   TRP   6           HA       TRP   6  -0.117  -2.564  -1.981
   54   1HB   TRP   6          HB2       TRP   6   2.775  -2.210  -2.211
   55   2HB   TRP   6          HB1       TRP   6   2.339  -3.214  -0.828
   56    HD1  TRP   6           HD1      TRP   6   3.535  -3.990  -3.911
   57    HE1  TRP   6           HE1      TRP   6   2.390  -5.991  -5.064
   58    HE3  TRP   6           HE3      TRP   6  -0.797  -4.201  -1.216
   59    HZ2  TRP   6           HZ2      TRP   6  -0.042  -7.484  -4.869
   60    HZ3  TRP   6           HZ3      TRP   6  -2.509  -5.920  -1.719
   61    HH2  TRP   6           HH2      TRP   6  -2.137  -7.561  -3.541
   62    H    LYS   7           HN       LYS   7   1.931  -0.300  -0.164
   63    HA   LYS   7           HA       LYS   7   1.060  -1.252   2.448
   64   1HB   LYS   7          HB2       LYS   7   3.119   0.258   1.411
   65   2HB   LYS   7          HB1       LYS   7   2.119   1.487   2.186
   66   1HG   LYS   7          HG2       LYS   7   3.804   0.550   3.750
   67   2HG   LYS   7          HG1       LYS   7   2.156   0.226   4.289
   68   1HD   LYS   7          HD2       LYS   7   2.823  -1.923   2.599
   69   2HD   LYS   7          HD1       LYS   7   4.247  -1.656   3.605
   70   1HE   LYS   7          HE2       LYS   7   2.117  -1.409   5.397
   71   2HE   LYS   7          HE1       LYS   7   1.659  -2.773   4.358
   72   1HZ   LYS   7          HZ1       LYS   7   4.117  -3.435   4.616
   73   2HZ   LYS   7          HZ2       LYS   7   3.056  -3.759   5.903
   74   3HZ   LYS   7          HZ3       LYS   7   4.103  -2.422   5.976
   75    HA   PRO   8           HA       PRO   8  -1.886   2.344   2.114
   76   1HB   PRO   8          HB2       PRO   8  -2.092   3.794  -0.192
   77   2HB   PRO   8          HB1       PRO   8  -0.868   4.126   1.049
   78   1HG   PRO   8          HG2       PRO   8  -0.603   2.688  -1.537
   79   2HG   PRO   8          HG1       PRO   8   0.531   3.781  -0.730
   80   1HD   PRO   8          HD2       PRO   8   0.772   1.063  -0.716
   81   2HD   PRO   8          HD1       PRO   8   1.418   2.119   0.557
   82    H    ILE   9           HN       ILE   9  -1.653   0.344  -0.746
   83    HA   ILE   9           HA       ILE   9  -4.095   0.514  -2.013
   84    HB   ILE   9           HB       ILE   9  -2.065  -1.126  -2.198
   85   1HG1  ILE   9          HG12      ILE   9  -4.940  -1.898  -2.758
   86   2HG1  ILE   9          HG11      ILE   9  -3.807  -1.114  -3.860
   87   1HG2  ILE   9          HG21      ILE   9  -3.969  -2.720  -0.459
   88   2HG2  ILE   9          HG22      ILE   9  -2.345  -2.197  -0.013
   89   3HG2  ILE   9          HG23      ILE   9  -2.567  -3.383  -1.298
   90   1HD1  ILE   9          HD11      ILE   9  -3.822  -3.967  -2.891
   91   2HD1  ILE   9          HD12      ILE   9  -2.336  -3.229  -3.490
   92   3HD1  ILE   9          HD13      ILE   9  -3.742  -3.364  -4.546
   93    H    LYS  10           HN       LYS  10  -3.482  -1.185   1.065
   94    HA   LYS  10           HA       LYS  10  -6.391  -1.676   1.406
   95   1HB   LYS  10          HB2       LYS  10  -4.509  -3.363   1.805
   96   2HB   LYS  10          HB1       LYS  10  -4.090  -2.409   3.229
   97   1HG   LYS  10          HG2       LYS  10  -6.958  -3.069   2.993
   98   2HG   LYS  10          HG1       LYS  10  -5.901  -4.459   3.239
   99   1HD   LYS  10          HD2       LYS  10  -5.171  -2.206   4.948
  100   2HD   LYS  10          HD1       LYS  10  -6.826  -2.746   5.228
  101   1HE   LYS  10          HE2       LYS  10  -5.489  -5.146   5.042
  102   2HE   LYS  10          HE1       LYS  10  -4.292  -4.114   5.849
  103   1HZ   LYS  10          HZ1       LYS  10  -6.333  -3.301   7.181
  104   2HZ   LYS  10          HZ2       LYS  10  -5.613  -4.780   7.605
  105   3HZ   LYS  10          HZ3       LYS  10  -7.043  -4.759   6.687
  106    H    LYS  11           HN       LYS  11  -3.747   0.193   2.834
  107    HA   LYS  11           HA       LYS  11  -5.219   1.128   5.141
  108   1HB   LYS  11          HB2       LYS  11  -2.653   1.567   3.761
  109   2HB   LYS  11          HB1       LYS  11  -3.258   2.992   4.607
  110   1HG   LYS  11          HG2       LYS  11  -2.369   2.069   6.472
  111   2HG   LYS  11          HG1       LYS  11  -3.733   0.952   6.418
  112   1HD   LYS  11          HD2       LYS  11  -2.393  -0.585   4.998
  113   2HD   LYS  11          HD1       LYS  11  -1.021   0.515   5.134
  114   1HE   LYS  11          HE2       LYS  11  -0.755  -1.245   6.804
  115   2HE   LYS  11          HE1       LYS  11  -1.178   0.254   7.655
  116   1HZ   LYS  11          HZ1       LYS  11  -2.555  -1.723   8.285
  117   2HZ   LYS  11          HZ2       LYS  11  -3.191  -1.711   6.710
  118   3HZ   LYS  11          HZ3       LYS  11  -3.445  -0.385   7.741
  119    H    LEU  12           HN       LEU  12  -4.658   2.443   1.877
  120    HA   LEU  12           HA       LEU  12  -6.450   4.746   2.503
  121   1HB   LEU  12          HB2       LEU  12  -4.307   4.086   0.513
  122   2HB   LEU  12          HB1       LEU  12  -5.515   5.294   0.073
  123    HG   LEU  12           HG       LEU  12  -3.910   5.374   2.642
  124   1HD1  LEU  12          HD11      LEU  12  -2.368   5.683   0.809
  125   2HD1  LEU  12          HD12      LEU  12  -2.714   7.275   1.483
  126   3HD1  LEU  12          HD13      LEU  12  -3.488   6.765  -0.018
  127   1HD2  LEU  12          HD21      LEU  12  -4.711   7.854   2.376
  128   2HD2  LEU  12          HD22      LEU  12  -5.850   6.652   2.983
  129   3HD2  LEU  12          HD23      LEU  12  -5.924   7.165   1.298
  130    H    PHE  13           HN       PHE  13  -6.858   1.668   1.491
  131    HA   PHE  13           HA       PHE  13  -9.326   2.327   0.010
  132   1HB   PHE  13          HB2       PHE  13  -6.894   1.895  -1.318
  133   2HB   PHE  13          HB1       PHE  13  -7.760   0.366  -1.469
  134    HD1  PHE  13           HD1      PHE  13  -7.113   2.863  -3.470
  135    HD2  PHE  13           HD2      PHE  13 -10.581   1.326  -1.454
  136    HE1  PHE  13           HE1      PHE  13  -8.567   3.856  -5.216
  137    HE2  PHE  13           HE2      PHE  13 -12.035   2.320  -3.200
  138    HZ   PHE  13           HZ       PHE  13 -11.028   3.585  -5.081
  139   1HN   NH2  14          HN1       NH2  14 -10.587   1.082   1.507
  140   2HN   NH2  14          HN2       NH2  14 -10.355  -0.578   1.772
  Start of MODEL    6
    1   1H    ILE   1           HT1      ILE   1  -7.505   4.748  -4.214
    2   2H    ILE   1           HT2      ILE   1  -8.065   3.160  -4.443
    3   3H    ILE   1           HT3      ILE   1  -7.066   3.888  -5.609
    4    HA   ILE   1           HA       ILE   1  -5.161   3.632  -4.367
    5    HB   ILE   1           HB       ILE   1  -5.426   3.354  -1.840
    6   1HG1  ILE   1          HG12      ILE   1  -8.173   4.474  -2.101
    7   2HG1  ILE   1          HG11      ILE   1  -7.996   2.745  -2.404
    8   1HG2  ILE   1          HG21      ILE   1  -5.302   5.590  -3.386
    9   2HG2  ILE   1          HG22      ILE   1  -5.301   5.624  -1.622
   10   3HG2  ILE   1          HG23      ILE   1  -6.802   5.891  -2.509
   11   1HD1  ILE   1          HD11      ILE   1  -7.148   4.243   0.091
   12   2HD1  ILE   1          HD12      ILE   1  -6.775   2.547  -0.221
   13   3HD1  ILE   1          HD13      ILE   1  -8.452   3.063  -0.041
   14    H    LEU   2           HN       LEU   2  -5.088   1.624  -5.568
   15    HA   LEU   2           HA       LEU   2  -6.522  -0.749  -4.962
   16   1HB   LEU   2          HB2       LEU   2  -3.736  -0.279  -6.072
   17   2HB   LEU   2          HB1       LEU   2  -4.600  -1.814  -6.176
   18    HG   LEU   2           HG       LEU   2  -5.562   0.827  -7.316
   19   1HD1  LEU   2          HD11      LEU   2  -4.592   0.243  -9.276
   20   2HD1  LEU   2          HD12      LEU   2  -5.122  -1.433  -9.128
   21   3HD1  LEU   2          HD13      LEU   2  -3.642  -0.902  -8.329
   22   1HD2  LEU   2          HD21      LEU   2  -7.231  -0.786  -8.435
   23   2HD2  LEU   2          HD22      LEU   2  -7.486  -0.441  -6.724
   24   3HD2  LEU   2          HD23      LEU   2  -6.733  -1.958  -7.215
   25    H    GLY   3           HN       GLY   3  -5.838  -2.638  -3.743
   26   1HA   GLY   3          HA2       GLY   3  -5.052  -3.648  -1.773
   27   2HA   GLY   3          HA1       GLY   3  -3.509  -2.905  -2.197
   28    H    LYS   4           HN       LYS   4  -6.447  -2.517  -0.315
   29    HA   LYS   4           HA       LYS   4  -5.762   0.101   0.757
   30   1HB   LYS   4          HB2       LYS   4  -7.767  -2.074   1.211
   31   2HB   LYS   4          HB1       LYS   4  -7.561  -0.868   2.482
   32   1HG   LYS   4          HG2       LYS   4  -8.144   0.921   1.027
   33   2HG   LYS   4          HG1       LYS   4  -7.965  -0.088  -0.409
   34   1HD   LYS   4          HD2       LYS   4  -9.984  -1.182  -0.062
   35   2HD   LYS   4          HD1       LYS   4  -9.957  -0.896   1.679
   36   1HE   LYS   4          HE2       LYS   4 -11.660   0.555   0.743
   37   2HE   LYS   4          HE1       LYS   4 -10.274   1.587   1.151
   38   1HZ   LYS   4          HZ1       LYS   4  -9.485   1.442  -1.089
   39   2HZ   LYS   4          HZ2       LYS   4 -11.110   1.935  -1.142
   40   3HZ   LYS   4          HZ3       LYS   4 -10.694   0.329  -1.507
   41    H    ILE   5           HN       ILE   5  -4.417  -2.937   1.241
   42    HA   ILE   5           HA       ILE   5  -3.330  -2.091   3.901
   43    HB   ILE   5           HB       ILE   5  -5.222  -3.790   3.998
   44   1HG1  ILE   5          HG12      ILE   5  -3.623  -5.484   5.314
   45   2HG1  ILE   5          HG11      ILE   5  -2.460  -4.180   5.074
   46   1HG2  ILE   5          HG21      ILE   5  -5.147  -5.609   2.674
   47   2HG2  ILE   5          HG22      ILE   5  -3.566  -6.053   3.318
   48   3HG2  ILE   5          HG23      ILE   5  -3.681  -4.966   1.934
   49   1HD1  ILE   5          HD11      ILE   5  -5.024  -4.166   6.631
   50   2HD1  ILE   5          HD12      ILE   5  -4.445  -2.660   5.919
   51   3HD1  ILE   5          HD13      ILE   5  -3.442  -3.529   7.081
   52    H    TRP   6           HN       TRP   6  -2.598  -2.726   0.777
   53    HA   TRP   6           HA       TRP   6   0.068  -3.906   1.479
   54   1HB   TRP   6          HB2       TRP   6  -1.349  -5.517   0.316
   55   2HB   TRP   6          HB1       TRP   6  -1.712  -4.332  -0.940
   56    HD1  TRP   6           HD1      TRP   6  -0.390  -4.823  -3.041
   57    HE1  TRP   6           HE1      TRP   6   1.988  -5.657  -3.584
   58    HE3  TRP   6           HE3      TRP   6   1.391  -5.552   1.689
   59    HZ2  TRP   6           HZ2      TRP   6   4.336  -6.520  -2.195
   60    HZ3  TRP   6           HZ3      TRP   6   3.699  -6.380   2.050
   61    HH2  TRP   6           HH2      TRP   6   5.172  -6.864   0.116
   62    H    LYS   7           HN       LYS   7  -1.725  -1.875  -0.830
   63    HA   LYS   7           HA       LYS   7   0.449  -0.830  -2.303
   64   1HB   LYS   7          HB2       LYS   7  -1.769  -0.423  -3.036
   65   2HB   LYS   7          HB1       LYS   7  -2.260   0.211  -1.466
   66   1HG   LYS   7          HG2       LYS   7  -1.321   2.280  -1.849
   67   2HG   LYS   7          HG1       LYS   7  -0.049   1.627  -2.882
   68   1HD   LYS   7          HD2       LYS   7  -2.292   1.031  -4.341
   69   2HD   LYS   7          HD1       LYS   7  -2.751   2.563  -3.597
   70   1HE   LYS   7          HE2       LYS   7  -0.600   3.560  -4.411
   71   2HE   LYS   7          HE1       LYS   7  -0.266   2.040  -5.265
   72   1HZ   LYS   7          HZ1       LYS   7  -2.784   3.579  -5.578
   73   2HZ   LYS   7          HZ2       LYS   7  -2.269   2.248  -6.500
   74   3HZ   LYS   7          HZ3       LYS   7  -1.461   3.738  -6.627
   75    HA   PRO   8           HA       PRO   8   0.843   2.562   0.982
   76   1HB   PRO   8          HB2       PRO   8  -0.309   2.196   3.436
   77   2HB   PRO   8          HB1       PRO   8  -1.143   2.990   2.084
   78   1HG   PRO   8          HG2       PRO   8  -1.394   0.202   3.086
   79   2HG   PRO   8          HG1       PRO   8  -2.644   1.305   2.493
   80   1HD   PRO   8          HD2       PRO   8  -1.608  -0.713   1.001
   81   2HD   PRO   8          HD1       PRO   8  -2.248   0.789   0.301
   82    H    ILE   9           HN       ILE   9   0.564  -0.701   2.400
   83    HA   ILE   9           HA       ILE   9   2.747  -0.418   4.262
   84    HB   ILE   9           HB       ILE   9   1.259  -2.697   2.954
   85   1HG1  ILE   9          HG12      ILE   9   0.561  -3.044   5.350
   86   2HG1  ILE   9          HG11      ILE   9   1.448  -1.577   5.767
   87   1HG2  ILE   9          HG21      ILE   9   3.600  -2.848   4.872
   88   2HG2  ILE   9          HG22      ILE   9   3.474  -3.591   3.277
   89   3HG2  ILE   9          HG23      ILE   9   2.476  -4.181   4.606
   90   1HD1  ILE   9          HD11      ILE   9   0.009  -0.206   4.476
   91   2HD1  ILE   9          HD12      ILE   9  -1.075  -1.327   5.299
   92   3HD1  ILE   9          HD13      ILE   9  -0.659  -1.587   3.605
   93    H    LYS  10           HN       LYS  10   2.650  -0.752   0.845
   94    HA   LYS  10           HA       LYS  10   5.259  -2.077   0.579
   95   1HB   LYS  10          HB2       LYS  10   3.383  -2.368  -1.017
   96   2HB   LYS  10          HB1       LYS  10   3.456  -0.648  -1.403
   97   1HG   LYS  10          HG2       LYS  10   5.985  -2.217  -1.630
   98   2HG   LYS  10          HG1       LYS  10   4.756  -2.468  -2.871
   99   1HD   LYS  10          HD2       LYS  10   4.807   0.293  -2.569
  100   2HD   LYS  10          HD1       LYS  10   6.505  -0.164  -2.431
  101   1HE   LYS  10          HE2       LYS  10   5.937  -1.680  -4.539
  102   2HE   LYS  10          HE1       LYS  10   4.648  -0.480  -4.764
  103   1HZ   LYS  10          HZ1       LYS  10   7.072  -0.034  -5.645
  104   2HZ   LYS  10          HZ2       LYS  10   7.320   0.478  -4.044
  105   3HZ   LYS  10          HZ3       LYS  10   6.128   1.219  -5.001
  106    H    LYS  11           HN       LYS  11   4.003   1.195   0.692
  107    HA   LYS  11           HA       LYS  11   6.672   2.287  -0.102
  108   1HB   LYS  11          HB2       LYS  11   3.890   2.986  -0.503
  109   2HB   LYS  11          HB1       LYS  11   4.751   4.330   0.247
  110   1HG   LYS  11          HG2       LYS  11   6.200   4.587  -1.546
  111   2HG   LYS  11          HG1       LYS  11   6.047   2.901  -2.044
  112   1HD   LYS  11          HD2       LYS  11   3.468   3.812  -2.330
  113   2HD   LYS  11          HD1       LYS  11   4.409   5.231  -2.789
  114   1HE   LYS  11          HE2       LYS  11   5.287   2.598  -3.904
  115   2HE   LYS  11          HE1       LYS  11   3.823   3.337  -4.585
  116   1HZ   LYS  11          HZ1       LYS  11   4.959   5.289  -5.111
  117   2HZ   LYS  11          HZ2       LYS  11   6.050   4.066  -5.557
  118   3HZ   LYS  11          HZ3       LYS  11   6.273   4.919  -4.105
  119    H    LEU  12           HN       LEU  12   4.362   2.079   2.542
  120    HA   LEU  12           HA       LEU  12   5.797   4.060   4.191
  121   1HB   LEU  12          HB2       LEU  12   3.397   2.249   4.489
  122   2HB   LEU  12          HB1       LEU  12   4.021   3.171   5.857
  123    HG   LEU  12           HG       LEU  12   3.385   4.484   3.213
  124   1HD1  LEU  12          HD11      LEU  12   1.524   3.281   5.000
  125   2HD1  LEU  12          HD12      LEU  12   1.178   4.321   3.618
  126   3HD1  LEU  12          HD13      LEU  12   1.405   5.027   5.218
  127   1HD2  LEU  12          HD21      LEU  12   3.234   6.490   4.662
  128   2HD2  LEU  12          HD22      LEU  12   4.815   5.719   4.796
  129   3HD2  LEU  12          HD23      LEU  12   3.614   5.494   6.067
  130    H    PHE  13           HN       PHE  13   6.090   0.737   3.480
  131    HA   PHE  13           HA       PHE  13   6.731  -0.619   5.790
  132   1HB   PHE  13          HB2       PHE  13   8.147  -1.949   4.392
  133   2HB   PHE  13          HB1       PHE  13   6.910  -1.291   3.323
  134    HD1  PHE  13           HD1      PHE  13  10.342  -1.831   3.637
  135    HD2  PHE  13           HD2      PHE  13   7.543   1.181   2.394
  136    HE1  PHE  13           HE1      PHE  13  12.103  -0.764   2.256
  137    HE2  PHE  13           HE2      PHE  13   9.304   2.248   1.014
  138    HZ   PHE  13           HZ       PHE  13  11.584   1.276   0.944
  139   1HN   NH2  14          HN1       NH2  14   8.704  -0.805   7.116
  140   2HN   NH2  14          HN2       NH2  14   9.843   0.452   7.186
  Start of MODEL    7
    1   1H    ILE   1           HT1      ILE   1   7.800   3.779  -2.552
    2   2H    ILE   1           HT2      ILE   1   7.207   2.231  -2.924
    3   3H    ILE   1           HT3      ILE   1   7.866   3.208  -4.148
    4    HA   ILE   1           HA       ILE   1   9.633   1.805  -3.742
    5    HB   ILE   1           HB       ILE   1   9.733   4.217  -1.911
    6   1HG1  ILE   1          HG12      ILE   1  10.767   3.635  -4.704
    7   2HG1  ILE   1          HG11      ILE   1   9.468   4.748  -4.272
    8   1HG2  ILE   1          HG21      ILE   1  11.748   3.561  -1.156
    9   2HG2  ILE   1          HG22      ILE   1  12.321   3.338  -2.809
   10   3HG2  ILE   1          HG23      ILE   1  11.519   2.012  -1.967
   11   1HD1  ILE   1          HD11      ILE   1  11.503   6.030  -4.636
   12   2HD1  ILE   1          HD12      ILE   1  12.392   5.002  -3.511
   13   3HD1  ILE   1          HD13      ILE   1  11.113   6.062  -2.916
   14    H    LEU   2           HN       LEU   2   7.736   2.481  -0.858
   15    HA   LEU   2           HA       LEU   2   8.898   0.021   0.406
   16   1HB   LEU   2          HB2       LEU   2   8.320   2.773   1.502
   17   2HB   LEU   2          HB1       LEU   2   8.408   1.375   2.574
   18    HG   LEU   2           HG       LEU   2  10.632   1.425   0.694
   19   1HD1  LEU   2          HD11      LEU   2  10.524   3.698   2.689
   20   2HD1  LEU   2          HD12      LEU   2  10.132   3.910   0.983
   21   3HD1  LEU   2          HD13      LEU   2  11.751   3.399   1.458
   22   1HD2  LEU   2          HD21      LEU   2  10.593   0.044   2.705
   23   2HD2  LEU   2          HD22      LEU   2  10.382   1.472   3.718
   24   3HD2  LEU   2          HD23      LEU   2  11.896   1.224   2.848
   25    H    GLY   3           HN       GLY   3   7.355  -1.410   1.169
   26   1HA   GLY   3          HA2       GLY   3   5.236  -2.130   1.979
   27   2HA   GLY   3          HA1       GLY   3   4.623  -0.493   1.754
   28    H    LYS   4           HN       LYS   4   5.495  -3.450   0.012
   29    HA   LYS   4           HA       LYS   4   4.411  -2.584  -2.535
   30   1HB   LYS   4          HB2       LYS   4   4.812  -4.927  -3.121
   31   2HB   LYS   4          HB1       LYS   4   6.163  -4.330  -2.159
   32   1HG   LYS   4          HG2       LYS   4   4.703  -5.234  -0.142
   33   2HG   LYS   4          HG1       LYS   4   3.998  -6.255  -1.396
   34   1HD   LYS   4          HD2       LYS   4   6.809  -6.294  -1.791
   35   2HD   LYS   4          HD1       LYS   4   6.531  -6.547  -0.067
   36   1HE   LYS   4          HE2       LYS   4   4.663  -8.221  -0.928
   37   2HE   LYS   4          HE1       LYS   4   5.672  -8.245  -2.388
   38   1HZ   LYS   4          HZ1       LYS   4   6.215  -9.784  -0.334
   39   2HZ   LYS   4          HZ2       LYS   4   7.012  -8.385   0.210
   40   3HZ   LYS   4          HZ3       LYS   4   7.448  -9.093  -1.272
   41    H    ILE   5           HN       ILE   5   2.954  -3.558   0.387
   42    HA   ILE   5           HA       ILE   5   0.398  -4.171  -1.061
   43    HB   ILE   5           HB       ILE   5  -0.043  -5.747   0.833
   44   1HG1  ILE   5          HG12      ILE   5   2.704  -5.956   1.724
   45   2HG1  ILE   5          HG11      ILE   5   2.096  -4.324   2.005
   46   1HG2  ILE   5          HG21      ILE   5   2.595  -6.685  -0.083
   47   2HG2  ILE   5          HG22      ILE   5   1.541  -6.126  -1.382
   48   3HG2  ILE   5          HG23      ILE   5   1.004  -7.413  -0.303
   49   1HD1  ILE   5          HD11      ILE   5   1.397  -6.811   3.360
   50   2HD1  ILE   5          HD12      ILE   5  -0.028  -5.967   2.754
   51   3HD1  ILE   5          HD13      ILE   5   1.085  -5.146   3.848
   52    H    TRP   6           HN       TRP   6   2.003  -2.085   1.028
   53    HA   TRP   6           HA       TRP   6  -0.376  -1.427   2.674
   54   1HB   TRP   6          HB2       TRP   6   1.976  -1.603   3.566
   55   2HB   TRP   6          HB1       TRP   6   2.401  -0.205   2.579
   56    HD1  TRP   6           HD1      TRP   6   2.384   1.926   3.940
   57    HE1  TRP   6           HE1      TRP   6   0.986   2.875   5.887
   58    HE3  TRP   6           HE3      TRP   6  -0.821  -1.974   4.707
   59    HZ2  TRP   6           HZ2      TRP   6  -1.202   2.083   7.551
   60    HZ3  TRP   6           HZ3      TRP   6  -2.550  -1.851   6.478
   61    HH2  TRP   6           HH2      TRP   6  -2.745   0.171   7.899
   62    H    LYS   7           HN       LYS   7   1.258  -0.369  -0.196
   63    HA   LYS   7           HA       LYS   7   0.363   2.392  -0.168
   64   1HB   LYS   7          HB2       LYS   7   1.617   0.440  -2.051
   65   2HB   LYS   7          HB1       LYS   7   0.881   1.883  -2.749
   66   1HG   LYS   7          HG2       LYS   7   2.260   3.328  -1.386
   67   2HG   LYS   7          HG1       LYS   7   2.885   1.951  -0.478
   68   1HD   LYS   7          HD2       LYS   7   4.607   2.133  -1.980
   69   2HD   LYS   7          HD1       LYS   7   3.527   1.153  -2.973
   70   1HE   LYS   7          HE2       LYS   7   2.955   2.928  -4.347
   71   2HE   LYS   7          HE1       LYS   7   3.184   4.130  -3.061
   72   1HZ   LYS   7          HZ1       LYS   7   5.236   2.720  -4.652
   73   2HZ   LYS   7          HZ2       LYS   7   5.613   3.370  -3.128
   74   3HZ   LYS   7          HZ3       LYS   7   5.070   4.385  -4.377
   75    HA   PRO   8           HA       PRO   8  -3.129   0.711  -2.829
   76   1HB   PRO   8          HB2       PRO   8  -3.504  -1.985  -3.085
   77   2HB   PRO   8          HB1       PRO   8  -2.427  -1.055  -4.147
   78   1HG   PRO   8          HG2       PRO   8  -1.764  -2.776  -1.815
   79   2HG   PRO   8          HG1       PRO   8  -0.910  -2.578  -3.354
   80   1HD   PRO   8          HD2       PRO   8  -0.119  -1.395  -1.032
   81   2HD   PRO   8          HD1       PRO   8   0.217  -0.723  -2.641
   82    H    ILE   9           HN       ILE   9  -2.508  -1.549  -0.129
   83    HA   ILE   9           HA       ILE   9  -5.136  -2.157   0.641
   84    HB   ILE   9           HB       ILE   9  -2.522  -1.734   2.079
   85   1HG1  ILE   9          HG12      ILE   9  -4.299  -4.152   1.615
   86   2HG1  ILE   9          HG11      ILE   9  -2.870  -3.740   0.665
   87   1HG2  ILE   9          HG21      ILE   9  -3.698  -2.817   4.081
   88   2HG2  ILE   9          HG22      ILE   9  -5.216  -2.367   3.304
   89   3HG2  ILE   9          HG23      ILE   9  -4.070  -1.118   3.792
   90   1HD1  ILE   9          HD11      ILE   9  -1.660  -3.709   2.990
   91   2HD1  ILE   9          HD12      ILE   9  -1.997  -5.257   2.216
   92   3HD1  ILE   9          HD13      ILE   9  -3.037  -4.677   3.516
   93    H    LYS  10           HN       LYS  10  -3.307   0.829   1.137
   94    HA   LYS  10           HA       LYS  10  -5.474   1.978   2.809
   95   1HB   LYS  10          HB2       LYS  10  -3.183   2.352   3.496
   96   2HB   LYS  10          HB1       LYS  10  -2.743   2.918   1.884
   97   1HG   LYS  10          HG2       LYS  10  -4.954   4.319   3.343
   98   2HG   LYS  10          HG1       LYS  10  -3.286   4.654   3.809
   99   1HD   LYS  10          HD2       LYS  10  -2.922   4.914   1.212
  100   2HD   LYS  10          HD1       LYS  10  -4.664   5.189   1.197
  101   1HE   LYS  10          HE2       LYS  10  -3.592   7.353   1.442
  102   2HE   LYS  10          HE1       LYS  10  -4.288   6.936   3.021
  103   1HZ   LYS  10          HZ1       LYS  10  -1.629   5.896   2.479
  104   2HZ   LYS  10          HZ2       LYS  10  -2.272   6.536   3.915
  105   3HZ   LYS  10          HZ3       LYS  10  -1.723   7.577   2.690
  106    H    LYS  11           HN       LYS  11  -4.194   2.110  -0.453
  107    HA   LYS  11           HA       LYS  11  -5.598   4.570  -1.192
  108   1HB   LYS  11          HB2       LYS  11  -3.852   2.496  -2.426
  109   2HB   LYS  11          HB1       LYS  11  -4.895   3.401  -3.524
  110   1HG   LYS  11          HG2       LYS  11  -3.646   5.168  -1.587
  111   2HG   LYS  11          HG1       LYS  11  -2.433   4.250  -2.480
  112   1HD   LYS  11          HD2       LYS  11  -2.708   5.844  -4.076
  113   2HD   LYS  11          HD1       LYS  11  -4.172   4.948  -4.482
  114   1HE   LYS  11          HE2       LYS  11  -5.535   6.402  -3.109
  115   2HE   LYS  11          HE1       LYS  11  -4.095   7.203  -2.448
  116   1HZ   LYS  11          HZ1       LYS  11  -3.677   8.282  -4.387
  117   2HZ   LYS  11          HZ2       LYS  11  -5.363   8.154  -4.550
  118   3HZ   LYS  11          HZ3       LYS  11  -4.343   7.059  -5.355
  119    H    LEU  12           HN       LEU  12  -6.587   1.381  -0.670
  120    HA   LEU  12           HA       LEU  12  -9.238   1.868  -1.753
  121   1HB   LEU  12          HB2       LEU  12  -9.119   0.266  -3.587
  122   2HB   LEU  12          HB1       LEU  12  -7.825   1.448  -3.790
  123    HG   LEU  12           HG       LEU  12  -6.928  -0.736  -2.119
  124   1HD1  LEU  12          HD11      LEU  12  -8.431  -1.406  -4.606
  125   2HD1  LEU  12          HD12      LEU  12  -8.207  -2.357  -3.138
  126   3HD1  LEU  12          HD13      LEU  12  -6.911  -2.258  -4.330
  127   1HD2  LEU  12          HD21      LEU  12  -6.092   0.137  -4.903
  128   2HD2  LEU  12          HD22      LEU  12  -5.118  -0.779  -3.752
  129   3HD2  LEU  12          HD23      LEU  12  -5.538   0.900  -3.413
  130    H    PHE  13           HN       PHE  13  -8.146   0.997   0.779
  131    HA   PHE  13           HA       PHE  13  -9.847  -1.248   1.347
  132   1HB   PHE  13          HB2       PHE  13  -7.731  -2.052  -0.067
  133   2HB   PHE  13          HB1       PHE  13  -6.962  -2.028   1.520
  134    HD1  PHE  13           HD1      PHE  13  -9.650  -3.538  -0.516
  135    HD2  PHE  13           HD2      PHE  13  -7.620  -3.573   3.269
  136    HE1  PHE  13           HE1      PHE  13 -10.735  -5.696   0.045
  137    HE2  PHE  13           HE2      PHE  13  -8.706  -5.731   3.831
  138    HZ   PHE  13           HZ       PHE  13 -10.263  -6.792   2.219
  139   1HN   NH2  14          HN1       NH2  14  -9.154   1.347   2.571
  140   2HN   NH2  14          HN2       NH2  14  -8.546   1.020   4.122
  Start of MODEL    8
    1   1H    ILE   1           HT1      ILE   1  11.157  -2.270   2.695
    2   2H    ILE   1           HT2      ILE   1  12.653  -1.484   2.525
    3   3H    ILE   1           HT3      ILE   1  12.251  -2.782   1.505
    4    HA   ILE   1           HA       ILE   1  11.986  -0.257   0.746
    5    HB   ILE   1           HB       ILE   1  11.765  -2.249  -0.630
    6   1HG1  ILE   1          HG12      ILE   1   9.420  -1.638  -1.722
    7   2HG1  ILE   1          HG11      ILE   1   9.526  -0.258  -0.628
    8   1HG2  ILE   1          HG21      ILE   1   8.990  -2.675   0.470
    9   2HG2  ILE   1          HG22      ILE   1  10.392  -3.425   1.232
   10   3HG2  ILE   1          HG23      ILE   1   9.994  -3.798  -0.445
   11   1HD1  ILE   1          HD11      ILE   1  11.325  -0.998  -2.917
   12   2HD1  ILE   1          HD12      ILE   1  11.965  -0.044  -1.579
   13   3HD1  ILE   1          HD13      ILE   1  10.608   0.566  -2.527
   14    H    LEU   2           HN       LEU   2  10.439   1.399   0.795
   15    HA   LEU   2           HA       LEU   2   8.819   1.910   2.968
   16   1HB   LEU   2          HB2       LEU   2   8.852   2.666   0.090
   17   2HB   LEU   2          HB1       LEU   2   7.394   3.085   0.991
   18    HG   LEU   2           HG       LEU   2   9.618   3.734   2.642
   19   1HD1  LEU   2          HD11      LEU   2  10.521   3.746   0.061
   20   2HD1  LEU   2          HD12      LEU   2  11.150   4.795   1.332
   21   3HD1  LEU   2          HD13      LEU   2   9.922   5.397   0.218
   22   1HD2  LEU   2          HD21      LEU   2   7.971   5.686   1.029
   23   2HD2  LEU   2          HD22      LEU   2   8.598   5.874   2.666
   24   3HD2  LEU   2          HD23      LEU   2   7.261   4.767   2.356
   25    H    GLY   3           HN       GLY   3   6.930   1.387   0.060
   26   1HA   GLY   3          HA2       GLY   3   5.758  -1.099   0.479
   27   2HA   GLY   3          HA1       GLY   3   4.872  -0.013   1.547
   28    H    LYS   4           HN       LYS   4   5.892  -0.369  -1.839
   29    HA   LYS   4           HA       LYS   4   3.920   1.583  -2.785
   30   1HB   LYS   4          HB2       LYS   4   5.579  -0.463  -4.292
   31   2HB   LYS   4          HB1       LYS   4   4.861   1.006  -4.953
   32   1HG   LYS   4          HG2       LYS   4   6.414   1.757  -2.683
   33   2HG   LYS   4          HG1       LYS   4   7.409   0.699  -3.683
   34   1HD   LYS   4          HD2       LYS   4   6.174   2.321  -5.553
   35   2HD   LYS   4          HD1       LYS   4   6.477   3.428  -4.214
   36   1HE   LYS   4          HE2       LYS   4   8.450   3.457  -5.621
   37   2HE   LYS   4          HE1       LYS   4   8.870   2.523  -4.171
   38   1HZ   LYS   4          HZ1       LYS   4   9.397   1.434  -6.376
   39   2HZ   LYS   4          HZ2       LYS   4   7.720   1.264  -6.595
   40   3HZ   LYS   4          HZ3       LYS   4   8.491   0.504  -5.285
   41    H    ILE   5           HN       ILE   5   3.590  -1.497  -1.623
   42    HA   ILE   5           HA       ILE   5   1.280  -2.076  -3.451
   43    HB   ILE   5           HB       ILE   5   1.850  -4.496  -2.829
   44   1HG1  ILE   5          HG12      ILE   5   4.442  -3.186  -1.950
   45   2HG1  ILE   5          HG11      ILE   5   3.237  -3.842  -0.840
   46   1HG2  ILE   5          HG21      ILE   5   2.990  -2.714  -4.739
   47   2HG2  ILE   5          HG22      ILE   5   2.798  -4.462  -4.868
   48   3HG2  ILE   5          HG23      ILE   5   4.275  -3.785  -4.181
   49   1HD1  ILE   5          HD11      ILE   5   3.469  -6.061  -1.939
   50   2HD1  ILE   5          HD12      ILE   5   4.988  -5.508  -1.236
   51   3HD1  ILE   5          HD13      ILE   5   4.730  -5.394  -2.976
   52    H    TRP   6           HN       TRP   6   2.325  -1.457  -0.253
   53    HA   TRP   6           HA       TRP   6  -0.079  -2.763   0.941
   54   1HB   TRP   6          HB2       TRP   6   2.591  -1.767   1.903
   55   2HB   TRP   6          HB1       TRP   6   1.272  -1.966   3.057
   56    HD1  TRP   6           HD1      TRP   6   4.067  -3.820   1.832
   57    HE1  TRP   6           HE1      TRP   6   3.714  -6.368   2.016
   58    HE3  TRP   6           HE3      TRP   6  -0.984  -3.961   2.580
   59    HZ2  TRP   6           HZ2      TRP   6   1.573  -8.220   2.427
   60    HZ3  TRP   6           HZ3      TRP   6  -2.152  -6.128   2.864
   61    HH2  TRP   6           HH2      TRP   6  -0.881  -8.255   2.789
   62    H    LYS   7           HN       LYS   7   1.487   0.361   0.444
   63    HA   LYS   7           HA       LYS   7  -0.137   1.973   2.143
   64   1HB   LYS   7          HB2       LYS   7   1.536   2.325  -0.318
   65   2HB   LYS   7          HB1       LYS   7   0.521   3.672   0.200
   66   1HG   LYS   7          HG2       LYS   7   1.605   3.824   2.306
   67   2HG   LYS   7          HG1       LYS   7   2.352   2.236   2.125
   68   1HD   LYS   7          HD2       LYS   7   3.688   3.112   0.217
   69   2HD   LYS   7          HD1       LYS   7   2.987   4.708   0.487
   70   1HE   LYS   7          HE2       LYS   7   5.264   4.358   1.571
   71   2HE   LYS   7          HE1       LYS   7   3.984   4.834   2.705
   72   1HZ   LYS   7          HZ1       LYS   7   4.461   1.989   2.090
   73   2HZ   LYS   7          HZ2       LYS   7   3.719   2.675   3.455
   74   3HZ   LYS   7          HZ3       LYS   7   5.404   2.774   3.261
   75    HA   PRO   8           HA       PRO   8  -2.974   2.680  -1.638
   76   1HB   PRO   8          HB2       PRO   8  -2.794   0.920  -3.725
   77   2HB   PRO   8          HB1       PRO   8  -1.872   2.436  -3.658
   78   1HG   PRO   8          HG2       PRO   8  -0.995  -0.340  -3.055
   79   2HG   PRO   8          HG1       PRO   8  -0.125   0.968  -3.870
   80   1HD   PRO   8          HD2       PRO   8   0.309   0.267  -1.278
   81   2HD   PRO   8          HD1       PRO   8   0.572   1.907  -1.906
   82    H    ILE   9           HN       ILE   9  -2.023  -0.627  -0.830
   83    HA   ILE   9           HA       ILE   9  -4.505  -1.953  -1.261
   84    HB   ILE   9           HB       ILE   9  -2.024  -2.309   0.368
   85   1HG1  ILE   9          HG12      ILE   9  -1.776  -4.259  -0.962
   86   2HG1  ILE   9          HG11      ILE   9  -3.494  -4.311  -1.353
   87   1HG2  ILE   9          HG21      ILE   9  -4.608  -3.804   0.863
   88   2HG2  ILE   9          HG22      ILE   9  -3.575  -3.005   2.048
   89   3HG2  ILE   9          HG23      ILE   9  -3.031  -4.486   1.261
   90   1HD1  ILE   9          HD11      ILE   9  -1.863  -1.922  -2.168
   91   2HD1  ILE   9          HD12      ILE   9  -3.332  -2.567  -2.899
   92   3HD1  ILE   9          HD13      ILE   9  -1.793  -3.395  -3.134
   93    H    LYS  10           HN       LYS  10  -3.449   0.232   1.270
   94    HA   LYS  10           HA       LYS  10  -5.628  -0.447   3.114
   95   1HB   LYS  10          HB2       LYS  10  -3.596   0.332   4.070
   96   2HB   LYS  10          HB1       LYS  10  -3.471   1.661   2.918
   97   1HG   LYS  10          HG2       LYS  10  -5.925   1.634   4.581
   98   2HG   LYS  10          HG1       LYS  10  -4.422   1.967   5.442
   99   1HD   LYS  10          HD2       LYS  10  -4.530   3.415   2.923
  100   2HD   LYS  10          HD1       LYS  10  -5.918   3.800   3.941
  101   1HE   LYS  10          HE2       LYS  10  -4.157   4.041   5.858
  102   2HE   LYS  10          HE1       LYS  10  -2.987   4.192   4.531
  103   1HZ   LYS  10          HZ1       LYS  10  -3.890   6.120   3.820
  104   2HZ   LYS  10          HZ2       LYS  10  -4.415   6.246   5.431
  105   3HZ   LYS  10          HZ3       LYS  10  -5.473   5.671   4.232
  106    H    LYS  11           HN       LYS  11  -5.137   1.692   0.413
  107    HA   LYS  11           HA       LYS  11  -7.119   3.685   1.030
  108   1HB   LYS  11          HB2       LYS  11  -5.259   3.011  -1.007
  109   2HB   LYS  11          HB1       LYS  11  -6.831   3.161  -1.792
  110   1HG   LYS  11          HG2       LYS  11  -6.949   5.402  -1.411
  111   2HG   LYS  11          HG1       LYS  11  -6.246   5.260   0.201
  112   1HD   LYS  11          HD2       LYS  11  -4.587   4.887  -2.296
  113   2HD   LYS  11          HD1       LYS  11  -4.833   6.476  -1.571
  114   1HE   LYS  11          HE2       LYS  11  -3.751   5.833   0.461
  115   2HE   LYS  11          HE1       LYS  11  -3.806   4.113   0.026
  116   1HZ   LYS  11          HZ1       LYS  11  -2.190   6.267  -1.195
  117   2HZ   LYS  11          HZ2       LYS  11  -2.533   4.837  -2.046
  118   3HZ   LYS  11          HZ3       LYS  11  -1.668   4.773  -0.585
  119    H    LEU  12           HN       LEU  12  -7.265   0.750  -1.026
  120    HA   LEU  12           HA       LEU  12 -10.118   1.014  -1.523
  121   1HB   LEU  12          HB2       LEU  12  -7.852  -0.642  -2.276
  122   2HB   LEU  12          HB1       LEU  12  -9.279  -1.634  -1.971
  123    HG   LEU  12           HG       LEU  12  -9.100   0.739  -3.849
  124   1HD1  LEU  12          HD11      LEU  12  -8.117  -1.448  -4.617
  125   2HD1  LEU  12          HD12      LEU  12  -9.479  -0.899  -5.594
  126   3HD1  LEU  12          HD13      LEU  12  -9.708  -2.179  -4.403
  127   1HD2  LEU  12          HD21      LEU  12 -11.332  -0.269  -2.410
  128   2HD2  LEU  12          HD22      LEU  12 -11.514  -0.816  -4.077
  129   3HD2  LEU  12          HD23      LEU  12 -11.345   0.904  -3.727
  130    H    PHE  13           HN       PHE  13  -8.304  -0.064   1.154
  131    HA   PHE  13           HA       PHE  13 -10.630  -1.674   2.159
  132   1HB   PHE  13          HB2       PHE  13  -7.743  -2.084   2.037
  133   2HB   PHE  13          HB1       PHE  13  -8.358  -2.266   3.681
  134    HD1  PHE  13           HD1      PHE  13 -10.361  -3.804   4.069
  135    HD2  PHE  13           HD2      PHE  13  -8.112  -3.764   0.410
  136    HE1  PHE  13           HE1      PHE  13 -11.274  -6.034   3.483
  137    HE2  PHE  13           HE2      PHE  13  -9.025  -5.994  -0.176
  138    HZ   PHE  13           HZ       PHE  13 -10.606  -7.129   1.361
  139   1HN   NH2  14          HN1       NH2  14 -10.168   1.332   2.396
  140   2HN   NH2  14          HN2       NH2  14 -10.118   1.641   4.064
  Start of MODEL    9
    1   1H    ILE   1           HT1      ILE   1  10.902   4.159   2.987
    2   2H    ILE   1           HT2      ILE   1  10.171   3.748   1.510
    3   3H    ILE   1           HT3      ILE   1  11.179   2.632   2.301
    4    HA   ILE   1           HA       ILE   1   9.561   2.610   4.190
    5    HB   ILE   1           HB       ILE   1   8.677   4.853   3.595
    6   1HG1  ILE   1          HG12      ILE   1   6.228   3.277   3.229
    7   2HG1  ILE   1          HG11      ILE   1   7.256   2.663   4.524
    8   1HG2  ILE   1          HG21      ILE   1   8.129   3.423   1.070
    9   2HG2  ILE   1          HG22      ILE   1   8.399   5.143   1.354
   10   3HG2  ILE   1          HG23      ILE   1   6.806   4.442   1.637
   11   1HD1  ILE   1          HD11      ILE   1   7.051   4.584   5.790
   12   2HD1  ILE   1          HD12      ILE   1   5.488   4.604   4.975
   13   3HD1  ILE   1          HD13      ILE   1   6.806   5.614   4.380
   14    H    LEU   2           HN       LEU   2   9.635   2.098   0.750
   15    HA   LEU   2           HA       LEU   2   8.904   0.277  -0.567
   16   1HB   LEU   2          HB2       LEU   2   9.208  -0.771   2.236
   17   2HB   LEU   2          HB1       LEU   2   8.585  -1.835   0.975
   18    HG   LEU   2           HG       LEU   2  10.992  -0.264   0.251
   19   1HD1  LEU   2          HD11      LEU   2  11.240  -2.664   2.079
   20   2HD1  LEU   2          HD12      LEU   2  11.354  -1.003   2.660
   21   3HD1  LEU   2          HD13      LEU   2  12.532  -1.614   1.499
   22   1HD2  LEU   2          HD21      LEU   2  11.596  -2.482  -0.739
   23   2HD2  LEU   2          HD22      LEU   2  10.025  -1.896  -1.285
   24   3HD2  LEU   2          HD23      LEU   2  10.117  -3.154  -0.052
   25    H    GLY   3           HN       GLY   3   6.952  -1.109  -0.975
   26   1HA   GLY   3          HA2       GLY   3   4.620  -1.192   0.572
   27   2HA   GLY   3          HA1       GLY   3   4.521   0.310  -0.346
   28    H    LYS   4           HN       LYS   4   6.031  -2.684  -1.448
   29    HA   LYS   4           HA       LYS   4   4.987  -2.690  -4.041
   30   1HB   LYS   4          HB2       LYS   4   6.761  -4.158  -2.922
   31   2HB   LYS   4          HB1       LYS   4   5.427  -5.158  -2.344
   32   1HG   LYS   4          HG2       LYS   4   4.685  -5.546  -4.647
   33   2HG   LYS   4          HG1       LYS   4   5.964  -4.494  -5.254
   34   1HD   LYS   4          HD2       LYS   4   6.999  -6.556  -3.465
   35   2HD   LYS   4          HD1       LYS   4   6.165  -7.243  -4.860
   36   1HE   LYS   4          HE2       LYS   4   8.138  -4.995  -5.249
   37   2HE   LYS   4          HE1       LYS   4   8.701  -6.673  -5.114
   38   1HZ   LYS   4          HZ1       LYS   4   8.231  -6.406  -7.375
   39   2HZ   LYS   4          HZ2       LYS   4   6.810  -5.524  -7.078
   40   3HZ   LYS   4          HZ3       LYS   4   6.858  -7.193  -6.766
   41    H    ILE   5           HN       ILE   5   3.340  -3.442  -1.063
   42    HA   ILE   5           HA       ILE   5   0.856  -3.998  -2.616
   43    HB   ILE   5           HB       ILE   5   2.021  -6.136  -2.033
   44   1HG1  ILE   5          HG12      ILE   5  -0.293  -6.229  -0.211
   45   2HG1  ILE   5          HG11      ILE   5  -0.646  -5.500  -1.778
   46   1HG2  ILE   5          HG21      ILE   5   1.536  -5.178   0.806
   47   2HG2  ILE   5          HG22      ILE   5   3.112  -5.351   0.033
   48   3HG2  ILE   5          HG23      ILE   5   2.127  -6.778   0.356
   49   1HD1  ILE   5          HD11      ILE   5   0.105  -8.297  -1.118
   50   2HD1  ILE   5          HD12      ILE   5   0.809  -7.629  -2.590
   51   3HD1  ILE   5          HD13      ILE   5  -0.943  -7.684  -2.398
   52    H    TRP   6           HN       TRP   6   2.224  -1.994  -0.536
   53    HA   TRP   6           HA       TRP   6  -0.024  -1.936   1.432
   54   1HB   TRP   6          HB2       TRP   6   2.843  -1.393   1.431
   55   2HB   TRP   6          HB1       TRP   6   1.925  -0.059   2.130
   56    HD1  TRP   6           HD1      TRP   6   3.700  -2.714   3.441
   57    HE1  TRP   6           HE1      TRP   6   2.622  -3.788   5.521
   58    HE3  TRP   6           HE3      TRP   6  -1.066  -0.935   2.984
   59    HZ2  TRP   6           HZ2      TRP   6   0.076  -3.880   6.821
   60    HZ3  TRP   6           HZ3      TRP   6  -2.795  -1.531   4.656
   61    HH2  TRP   6           HH2      TRP   6  -2.231  -3.000   6.572
   62    H    LYS   7           HN       LYS   7   1.770   0.084  -0.875
   63    HA   LYS   7           HA       LYS   7   0.525   2.570  -0.497
   64   1HB   LYS   7          HB2       LYS   7   2.311   1.441  -2.231
   65   2HB   LYS   7          HB1       LYS   7   0.927   1.693  -3.296
   66   1HG   LYS   7          HG2       LYS   7   1.079   3.970  -3.180
   67   2HG   LYS   7          HG1       LYS   7   1.591   3.951  -1.492
   68   1HD   LYS   7          HD2       LYS   7   3.427   2.939  -3.654
   69   2HD   LYS   7          HD1       LYS   7   3.325   4.664  -3.300
   70   1HE   LYS   7          HE2       LYS   7   3.613   3.810  -0.786
   71   2HE   LYS   7          HE1       LYS   7   4.407   2.449  -1.604
   72   1HZ   LYS   7          HZ1       LYS   7   5.945   3.826  -2.606
   73   2HZ   LYS   7          HZ2       LYS   7   5.781   4.561  -1.083
   74   3HZ   LYS   7          HZ3       LYS   7   4.987   5.215  -2.435
   75    HA   PRO   8           HA       PRO   8  -2.936   1.277  -3.528
   76   1HB   PRO   8          HB2       PRO   8  -3.262  -1.388  -4.047
   77   2HB   PRO   8          HB1       PRO   8  -2.253  -0.327  -5.050
   78   1HG   PRO   8          HG2       PRO   8  -1.449  -2.257  -2.936
   79   2HG   PRO   8          HG1       PRO   8  -0.670  -1.885  -4.482
   80   1HD   PRO   8          HD2       PRO   8   0.201  -0.920  -2.092
   81   2HD   PRO   8          HD1       PRO   8   0.445  -0.080  -3.637
   82    H    ILE   9           HN       ILE   9  -2.168  -1.302  -1.170
   83    HA   ILE   9           HA       ILE   9  -4.735  -2.013  -0.314
   84    HB   ILE   9           HB       ILE   9  -2.041  -1.728   1.006
   85   1HG1  ILE   9          HG12      ILE   9  -2.619  -3.568  -0.639
   86   2HG1  ILE   9          HG11      ILE   9  -2.092  -4.138   0.945
   87   1HG2  ILE   9          HG21      ILE   9  -4.655  -2.498   2.320
   88   2HG2  ILE   9          HG22      ILE   9  -3.466  -1.320   2.874
   89   3HG2  ILE   9          HG23      ILE   9  -3.097  -3.043   2.941
   90   1HD1  ILE   9          HD11      ILE   9  -4.946  -3.920  -0.049
   91   2HD1  ILE   9          HD12      ILE   9  -4.509  -4.307   1.615
   92   3HD1  ILE   9          HD13      ILE   9  -4.059  -5.402   0.308
   93    H    LYS  10           HN       LYS  10  -2.991   0.978   0.248
   94    HA   LYS  10           HA       LYS  10  -4.923   1.876   2.311
   95   1HB   LYS  10          HB2       LYS  10  -2.567   2.345   2.638
   96   2HB   LYS  10          HB1       LYS  10  -2.441   3.057   1.029
   97   1HG   LYS  10          HG2       LYS  10  -4.565   4.347   2.490
   98   2HG   LYS  10          HG1       LYS  10  -3.081   4.386   3.443
   99   1HD   LYS  10          HD2       LYS  10  -3.085   5.116   0.515
  100   2HD   LYS  10          HD1       LYS  10  -3.455   6.309   1.761
  101   1HE   LYS  10          HE2       LYS  10  -0.891   4.700   1.489
  102   2HE   LYS  10          HE1       LYS  10  -1.076   6.459   1.335
  103   1HZ   LYS  10          HZ1       LYS  10  -2.186   6.195   3.664
  104   2HZ   LYS  10          HZ2       LYS  10  -0.494   6.284   3.533
  105   3HZ   LYS  10          HZ3       LYS  10  -1.255   4.779   3.740
  106    H    LYS  11           HN       LYS  11  -4.256   2.249  -1.100
  107    HA   LYS  11           HA       LYS  11  -5.653   4.725  -1.554
  108   1HB   LYS  11          HB2       LYS  11  -4.696   2.365  -3.131
  109   2HB   LYS  11          HB1       LYS  11  -5.804   3.493  -3.914
  110   1HG   LYS  11          HG2       LYS  11  -3.386   4.509  -2.433
  111   2HG   LYS  11          HG1       LYS  11  -3.245   3.947  -4.100
  112   1HD   LYS  11          HD2       LYS  11  -3.896   6.021  -4.713
  113   2HD   LYS  11          HD1       LYS  11  -5.505   5.565  -4.151
  114   1HE   LYS  11          HE2       LYS  11  -5.360   6.912  -2.320
  115   2HE   LYS  11          HE1       LYS  11  -3.693   6.407  -1.981
  116   1HZ   LYS  11          HZ1       LYS  11  -4.659   8.496  -3.814
  117   2HZ   LYS  11          HZ2       LYS  11  -3.204   7.693  -4.166
  118   3HZ   LYS  11          HZ3       LYS  11  -3.374   8.552  -2.710
  119    H    LEU  12           HN       LEU  12  -6.751   1.519  -0.866
  120    HA   LEU  12           HA       LEU  12  -9.546   2.331  -1.603
  121   1HB   LEU  12          HB2       LEU  12  -9.862  -0.118  -2.090
  122   2HB   LEU  12          HB1       LEU  12  -8.680   0.656  -3.146
  123    HG   LEU  12           HG       LEU  12  -7.350  -0.272  -0.773
  124   1HD1  LEU  12          HD11      LEU  12  -7.712  -2.757  -1.318
  125   2HD1  LEU  12          HD12      LEU  12  -9.162  -2.242  -2.180
  126   3HD1  LEU  12          HD13      LEU  12  -9.013  -1.945  -0.448
  127   1HD2  LEU  12          HD21      LEU  12  -5.947  -1.395  -2.397
  128   2HD2  LEU  12          HD22      LEU  12  -6.416   0.163  -3.079
  129   3HD2  LEU  12          HD23      LEU  12  -7.216  -1.313  -3.619
  130    H    PHE  13           HN       PHE  13  -7.726   2.167   0.982
  131    HA   PHE  13           HA       PHE  13  -9.871   0.951   2.671
  132   1HB   PHE  13          HB2       PHE  13  -7.641  -0.419   2.052
  133   2HB   PHE  13          HB1       PHE  13  -7.011   0.516   3.409
  134    HD1  PHE  13           HD1      PHE  13  -9.263  -2.166   2.379
  135    HD2  PHE  13           HD2      PHE  13  -8.075   0.344   5.656
  136    HE1  PHE  13           HE1      PHE  13 -10.395  -3.700   3.964
  137    HE2  PHE  13           HE2      PHE  13  -9.207  -1.190   7.242
  138    HZ   PHE  13           HZ       PHE  13 -10.368  -3.212   6.396
  139   1HN   NH2  14          HN1       NH2  14  -6.776   2.820   2.773
  140   2HN   NH2  14          HN2       NH2  14  -7.279   3.886   3.994
  Start of MODEL   10
    1   1H    ILE   1           HT1      ILE   1 -10.559   1.831   1.366
    2   2H    ILE   1           HT2      ILE   1 -12.122   1.179   1.498
    3   3H    ILE   1           HT3      ILE   1 -11.873   2.634   0.656
    4    HA   ILE   1           HA       ILE   1 -10.933  -0.070  -0.161
    5    HB   ILE   1           HB       ILE   1 -12.939   1.921  -1.276
    6   1HG1  ILE   1          HG12      ILE   1 -14.342  -0.333  -0.732
    7   2HG1  ILE   1          HG11      ILE   1 -13.125  -0.423   0.542
    8   1HG2  ILE   1          HG21      ILE   1 -11.780   0.575  -3.010
    9   2HG2  ILE   1          HG22      ILE   1 -13.482   0.134  -2.871
   10   3HG2  ILE   1          HG23      ILE   1 -12.244  -0.898  -2.158
   11   1HD1  ILE   1          HD11      ILE   1 -14.101   2.285   0.307
   12   2HD1  ILE   1          HD12      ILE   1 -14.147   1.210   1.705
   13   3HD1  ILE   1          HD13      ILE   1 -15.454   1.174   0.521
   14    H    LEU   2           HN       LEU   2  -8.706   0.815  -0.298
   15    HA   LEU   2           HA       LEU   2  -8.323   2.377  -2.805
   16   1HB   LEU   2          HB2       LEU   2  -7.421   3.068  -0.009
   17   2HB   LEU   2          HB1       LEU   2  -6.561   3.690  -1.418
   18    HG   LEU   2           HG       LEU   2  -9.553   3.977  -1.117
   19   1HD1  LEU   2          HD11      LEU   2  -7.321   5.726  -0.078
   20   2HD1  LEU   2          HD12      LEU   2  -8.740   5.136   0.787
   21   3HD1  LEU   2          HD13      LEU   2  -8.916   6.383  -0.448
   22   1HD2  LEU   2          HD21      LEU   2  -8.275   6.100  -2.521
   23   2HD2  LEU   2          HD22      LEU   2  -9.346   4.862  -3.178
   24   3HD2  LEU   2          HD23      LEU   2  -7.604   4.590  -3.135
   25    H    GLY   3           HN       GLY   3  -6.882   0.445  -0.201
   26   1HA   GLY   3          HA2       GLY   3  -5.500  -1.369  -1.792
   27   2HA   GLY   3          HA1       GLY   3  -4.386  -0.014  -1.605
   28    H    LYS   4           HN       LYS   4  -6.039  -2.610   0.075
   29    HA   LYS   4           HA       LYS   4  -5.033  -1.913   2.722
   30   1HB   LYS   4          HB2       LYS   4  -6.940  -3.604   1.574
   31   2HB   LYS   4          HB1       LYS   4  -5.740  -4.707   2.251
   32   1HG   LYS   4          HG2       LYS   4  -7.371  -4.235   3.976
   33   2HG   LYS   4          HG1       LYS   4  -5.871  -3.412   4.406
   34   1HD   LYS   4          HD2       LYS   4  -7.051  -1.474   2.927
   35   2HD   LYS   4          HD1       LYS   4  -8.483  -2.272   3.578
   36   1HE   LYS   4          HE2       LYS   4  -7.714  -1.953   5.855
   37   2HE   LYS   4          HE1       LYS   4  -6.146  -1.346   5.285
   38   1HZ   LYS   4          HZ1       LYS   4  -7.087   0.564   4.433
   39   2HZ   LYS   4          HZ2       LYS   4  -8.009   0.340   5.842
   40   3HZ   LYS   4          HZ3       LYS   4  -8.641  -0.107   4.330
   41    H    ILE   5           HN       ILE   5  -3.580  -3.210  -0.048
   42    HA   ILE   5           HA       ILE   5  -1.275  -4.183   1.577
   43    HB   ILE   5           HB       ILE   5  -2.889  -6.034   0.880
   44   1HG1  ILE   5          HG12      ILE   5  -1.008  -7.469  -0.054
   45   2HG1  ILE   5          HG11      ILE   5  -0.016  -6.011  -0.082
   46   1HG2  ILE   5          HG21      ILE   5  -3.277  -6.502  -1.343
   47   2HG2  ILE   5          HG22      ILE   5  -1.720  -5.856  -1.860
   48   3HG2  ILE   5          HG23      ILE   5  -3.045  -4.759  -1.472
   49   1HD1  ILE   5          HD11      ILE   5   0.462  -7.081   2.001
   50   2HD1  ILE   5          HD12      ILE   5  -1.248  -7.366   2.325
   51   3HD1  ILE   5          HD13      ILE   5  -0.600  -5.727   2.387
   52    H    TRP   6           HN       TRP   6  -2.188  -1.961  -0.514
   53    HA   TRP   6           HA       TRP   6   0.261  -2.210  -2.232
   54   1HB   TRP   6          HB2       TRP   6  -2.589  -1.513  -2.750
   55   2HB   TRP   6          HB1       TRP   6  -1.378  -0.601  -3.650
   56    HD1  TRP   6           HD1      TRP   6  -3.382  -3.520  -4.068
   57    HE1  TRP   6           HE1      TRP   6  -2.309  -5.234  -5.667
   58    HE3  TRP   6           HE3      TRP   6   1.405  -1.745  -4.179
   59    HZ2  TRP   6           HZ2      TRP   6   0.243  -5.780  -6.838
   60    HZ3  TRP   6           HZ3      TRP   6   3.135  -2.880  -5.544
   61    HH2  TRP   6           HH2      TRP   6   2.561  -4.893  -6.872
   62    H    LYS   7           HN       LYS   7  -1.739  -0.170  -0.193
   63    HA   LYS   7           HA       LYS   7  -0.559   2.372  -0.792
   64   1HB   LYS   7          HB2       LYS   7  -2.281   1.098   1.226
   65   2HB   LYS   7          HB1       LYS   7  -1.334   2.445   1.861
   66   1HG   LYS   7          HG2       LYS   7  -2.123   3.686  -0.304
   67   2HG   LYS   7          HG1       LYS   7  -3.382   2.451  -0.341
   68   1HD   LYS   7          HD2       LYS   7  -4.304   3.145   1.702
   69   2HD   LYS   7          HD1       LYS   7  -2.826   3.974   2.195
   70   1HE   LYS   7          HE2       LYS   7  -3.210   5.781   0.679
   71   2HE   LYS   7          HE1       LYS   7  -4.469   4.879  -0.188
   72   1HZ   LYS   7          HZ1       LYS   7  -4.688   5.369   2.714
   73   2HZ   LYS   7          HZ2       LYS   7  -5.918   5.009   1.599
   74   3HZ   LYS   7          HZ3       LYS   7  -5.199   6.548   1.607
   75    HA   PRO   8           HA       PRO   8   2.489   1.389   2.666
   76   1HB   PRO   8          HB2       PRO   8   2.618  -1.135   3.711
   77   2HB   PRO   8          HB1       PRO   8   1.518   0.113   4.332
   78   1HG   PRO   8          HG2       PRO   8   0.955  -2.176   2.522
   79   2HG   PRO   8          HG1       PRO   8  -0.033  -1.494   3.823
   80   1HD   PRO   8          HD2       PRO   8  -0.473  -1.005   1.177
   81   2HD   PRO   8          HD1       PRO   8  -0.930   0.116   2.477
   82    H    ILE   9           HN       ILE   9   1.937  -1.442   0.576
   83    HA   ILE   9           HA       ILE   9   4.534  -2.466   0.337
   84    HB   ILE   9           HB       ILE   9   2.159  -2.167  -1.487
   85   1HG1  ILE   9          HG12      ILE   9   2.053  -4.580  -1.205
   86   2HG1  ILE   9          HG11      ILE   9   3.627  -4.594  -0.410
   87   1HG2  ILE   9          HG21      ILE   9   4.928  -3.038  -2.248
   88   2HG2  ILE   9          HG22      ILE   9   3.741  -2.141  -3.195
   89   3HG2  ILE   9          HG23      ILE   9   3.547  -3.878  -2.953
   90   1HD1  ILE   9          HD11      ILE   9   2.740  -3.265   1.443
   91   2HD1  ILE   9          HD12      ILE   9   1.752  -4.709   1.222
   92   3HD1  ILE   9          HD13      ILE   9   1.175  -3.148   0.638
   93    H    LYS  10           HN       LYS  10   3.086   0.243  -1.508
   94    HA   LYS  10           HA       LYS  10   5.428   0.824  -3.071
   95   1HB   LYS  10          HB2       LYS  10   3.207   1.586  -3.689
   96   2HB   LYS  10          HB1       LYS  10   3.041   2.467  -2.169
   97   1HG   LYS  10          HG2       LYS  10   5.344   3.092  -3.994
   98   2HG   LYS  10          HG1       LYS  10   3.750   3.763  -4.344
   99   1HD   LYS  10          HD2       LYS  10   4.139   4.140  -1.578
  100   2HD   LYS  10          HD1       LYS  10   5.667   4.587  -2.338
  101   1HE   LYS  10          HE2       LYS  10   3.140   5.576  -3.611
  102   2HE   LYS  10          HE1       LYS  10   3.701   6.371  -2.126
  103   1HZ   LYS  10          HZ1       LYS  10   4.989   7.476  -3.618
  104   2HZ   LYS  10          HZ2       LYS  10   4.992   6.204  -4.744
  105   3HZ   LYS  10          HZ3       LYS  10   5.999   6.135  -3.377
  106    H    LYS  11           HN       LYS  11   4.622   1.433   0.237
  107    HA   LYS  11           HA       LYS  11   6.412   3.737   0.569
  108   1HB   LYS  11          HB2       LYS  11   4.240   3.051   1.843
  109   2HB   LYS  11          HB1       LYS  11   5.301   1.967   2.744
  110   1HG   LYS  11          HG2       LYS  11   6.661   3.800   3.504
  111   2HG   LYS  11          HG1       LYS  11   5.847   4.927   2.419
  112   1HD   LYS  11          HD2       LYS  11   3.693   4.386   3.659
  113   2HD   LYS  11          HD1       LYS  11   4.688   3.546   4.850
  114   1HE   LYS  11          HE2       LYS  11   5.819   6.154   4.298
  115   2HE   LYS  11          HE1       LYS  11   4.121   6.309   4.791
  116   1HZ   LYS  11          HZ1       LYS  11   4.491   5.207   6.761
  117   2HZ   LYS  11          HZ2       LYS  11   5.951   6.061   6.598
  118   3HZ   LYS  11          HZ3       LYS  11   5.878   4.412   6.195
  119    H    LEU  12           HN       LEU  12   6.406   0.466   2.052
  120    HA   LEU  12           HA       LEU  12   9.039   0.491   3.047
  121   1HB   LEU  12          HB2       LEU  12   7.181  -1.653   2.007
  122   2HB   LEU  12          HB1       LEU  12   8.757  -2.063   2.684
  123    HG   LEU  12           HG       LEU  12   6.602  -0.473   4.106
  124   1HD1  LEU  12          HD11      LEU  12   6.068  -2.410   5.298
  125   2HD1  LEU  12          HD12      LEU  12   7.612  -3.180   4.933
  126   3HD1  LEU  12          HD13      LEU  12   6.370  -3.059   3.686
  127   1HD2  LEU  12          HD21      LEU  12   8.532  -1.484   5.895
  128   2HD2  LEU  12          HD22      LEU  12   8.300   0.201   5.430
  129   3HD2  LEU  12          HD23      LEU  12   9.447  -0.807   4.548
  130    H    PHE  13           HN       PHE  13   7.919   0.197  -0.240
  131    HA   PHE  13           HA       PHE  13  10.757  -0.138  -1.137
  132   1HB   PHE  13          HB2       PHE  13   8.986  -2.162  -1.164
  133   2HB   PHE  13          HB1       PHE  13   8.540  -1.397  -2.690
  134    HD1  PHE  13           HD1      PHE  13  11.104  -3.279  -0.891
  135    HD2  PHE  13           HD2      PHE  13  10.218  -1.131  -4.504
  136    HE1  PHE  13           HE1      PHE  13  13.084  -4.298  -1.982
  137    HE2  PHE  13           HE2      PHE  13  12.198  -2.150  -5.595
  138    HZ   PHE  13           HZ       PHE  13  13.631  -3.734  -4.335
  139   1HN   NH2  14          HN1       NH2  14   9.780   2.419  -1.103
  140   2HN   NH2  14          HN2       NH2  14   9.281   2.926  -2.645
  Start of MODEL   11
    1   1H    ILE   1           HT1      ILE   1   8.405   2.607  -0.890
    2   2H    ILE   1           HT2      ILE   1   7.569   2.943   0.550
    3   3H    ILE   1           HT3      ILE   1   7.189   1.554  -0.353
    4    HA   ILE   1           HA       ILE   1   9.796   1.133   0.082
    5    HB   ILE   1           HB       ILE   1   8.646   2.535   2.516
    6   1HG1  ILE   1          HG12      ILE   1  10.957   3.777   1.241
    7   2HG1  ILE   1          HG11      ILE   1   9.570   3.713   0.153
    8   1HG2  ILE   1          HG21      ILE   1  11.403   1.469   1.834
    9   2HG2  ILE   1          HG22      ILE   1  10.311   0.848   3.073
   10   3HG2  ILE   1          HG23      ILE   1  11.038   2.445   3.257
   11   1HD1  ILE   1          HD11      ILE   1   9.265   5.737   1.333
   12   2HD1  ILE   1          HD12      ILE   1   9.767   5.021   2.864
   13   3HD1  ILE   1          HD13      ILE   1   8.204   4.600   2.164
   14    H    LEU   2           HN       LEU   2  10.037  -0.842   1.275
   15    HA   LEU   2           HA       LEU   2   9.292  -2.862   2.251
   16   1HB   LEU   2          HB2       LEU   2   7.803  -0.626   3.476
   17   2HB   LEU   2          HB1       LEU   2   7.026  -2.199   3.654
   18    HG   LEU   2           HG       LEU   2   9.924  -1.640   4.343
   19   1HD1  LEU   2          HD11      LEU   2   9.239  -0.902   6.356
   20   2HD1  LEU   2          HD12      LEU   2   8.236  -2.336   6.577
   21   3HD1  LEU   2          HD13      LEU   2   7.580  -0.920   5.755
   22   1HD2  LEU   2          HD21      LEU   2  10.082  -3.887   4.406
   23   2HD2  LEU   2          HD22      LEU   2   8.380  -4.044   3.972
   24   3HD2  LEU   2          HD23      LEU   2   8.849  -3.910   5.667
   25    H    GLY   3           HN       GLY   3   6.054  -1.483   2.062
   26   1HA   GLY   3          HA2       GLY   3   5.370  -3.581   0.051
   27   2HA   GLY   3          HA1       GLY   3   4.224  -2.864   1.181
   28    H    LYS   4           HN       LYS   4   6.444  -1.824  -1.408
   29    HA   LYS   4           HA       LYS   4   5.395   0.670  -2.042
   30   1HB   LYS   4          HB2       LYS   4   6.905  -1.454  -3.312
   31   2HB   LYS   4          HB1       LYS   4   5.870  -0.648  -4.491
   32   1HG   LYS   4          HG2       LYS   4   7.068   1.277  -4.402
   33   2HG   LYS   4          HG1       LYS   4   7.226   1.200  -2.647
   34   1HD   LYS   4          HD2       LYS   4   9.083  -0.285  -2.775
   35   2HD   LYS   4          HD1       LYS   4   8.786  -0.628  -4.480
   36   1HE   LYS   4          HE2       LYS   4  10.621   0.920  -4.447
   37   2HE   LYS   4          HE1       LYS   4   9.201   1.893  -4.878
   38   1HZ   LYS   4          HZ1       LYS   4   9.792   1.466  -2.040
   39   2HZ   LYS   4          HZ2       LYS   4   9.058   2.796  -2.802
   40   3HZ   LYS   4          HZ3       LYS   4  10.742   2.588  -2.886
   41    H    ILE   5           HN       ILE   5   3.888  -2.453  -2.507
   42    HA   ILE   5           HA       ILE   5   1.727  -1.226  -4.165
   43    HB   ILE   5           HB       ILE   5   3.001  -3.329  -4.828
   44   1HG1  ILE   5          HG12      ILE   5   0.772  -4.625  -5.244
   45   2HG1  ILE   5          HG11      ILE   5   0.008  -3.222  -4.498
   46   1HG2  ILE   5          HG21      ILE   5   3.126  -5.068  -3.400
   47   2HG2  ILE   5          HG22      ILE   5   1.376  -5.078  -3.182
   48   3HG2  ILE   5          HG23      ILE   5   2.384  -4.038  -2.176
   49   1HD1  ILE   5          HD11      ILE   5   0.154  -3.029  -6.985
   50   2HD1  ILE   5          HD12      ILE   5   1.912  -3.087  -6.854
   51   3HD1  ILE   5          HD13      ILE   5   1.019  -1.739  -6.149
   52    H    TRP   6           HN       TRP   6   2.413  -1.822  -0.950
   53    HA   TRP   6           HA       TRP   6  -0.360  -2.609  -0.216
   54   1HB   TRP   6          HB2       TRP   6   2.352  -2.718   0.935
   55   2HB   TRP   6          HB1       TRP   6   1.093  -2.310   2.100
   56    HD1  TRP   6           HD1      TRP   6   2.745  -5.213   0.791
   57    HE1  TRP   6           HE1      TRP   6   1.299  -7.336   1.010
   58    HE3  TRP   6           HE3      TRP   6  -1.801  -3.090   1.743
   59    HZ2  TRP   6           HZ2      TRP   6  -1.427  -8.040   1.521
   60    HZ3  TRP   6           HZ3      TRP   6  -3.803  -4.508   2.091
   61    HH2  TRP   6           HH2      TRP   6  -3.622  -6.978   1.982
   62    H    LYS   7           HN       LYS   7   1.906   0.093   0.028
   63    HA   LYS   7           HA       LYS   7   0.562   1.735   1.894
   64   1HB   LYS   7          HB2       LYS   7   2.768   1.875   0.279
   65   2HB   LYS   7          HB1       LYS   7   1.707   3.053  -0.494
   66   1HG   LYS   7          HG2       LYS   7   1.489   3.456   2.310
   67   2HG   LYS   7          HG1       LYS   7   3.209   3.334   1.937
   68   1HD   LYS   7          HD2       LYS   7   2.421   5.666   1.731
   69   2HD   LYS   7          HD1       LYS   7   2.954   5.036   0.172
   70   1HE   LYS   7          HE2       LYS   7   0.686   4.681  -0.558
   71   2HE   LYS   7          HE1       LYS   7   0.053   4.999   1.069
   72   1HZ   LYS   7          HZ1       LYS   7  -0.104   6.986  -0.292
   73   2HZ   LYS   7          HZ2       LYS   7   1.561   6.924  -0.624
   74   3HZ   LYS   7          HZ3       LYS   7   1.017   7.225   0.957
   75    HA   PRO   8           HA       PRO   8  -2.213   3.180  -1.584
   76   1HB   PRO   8          HB2       PRO   8  -2.145   1.967  -4.033
   77   2HB   PRO   8          HB1       PRO   8  -1.051   3.291  -3.583
   78   1HG   PRO   8          HG2       PRO   8  -0.542   0.366  -3.682
   79   2HG   PRO   8          HG1       PRO   8   0.521   1.715  -4.111
   80   1HD   PRO   8          HD2       PRO   8   0.701   0.319  -1.770
   81   2HD   PRO   8          HD1       PRO   8   1.238   2.000  -1.965
   82    H    ILE   9           HN       ILE   9  -1.694  -0.333  -1.819
   83    HA   ILE   9           HA       ILE   9  -4.437  -1.026  -2.382
   84    HB   ILE   9           HB       ILE   9  -1.995  -2.434  -1.294
   85   1HG1  ILE   9          HG12      ILE   9  -3.575  -2.530  -3.881
   86   2HG1  ILE   9          HG11      ILE   9  -1.931  -1.933  -3.658
   87   1HG2  ILE   9          HG21      ILE   9  -3.254  -4.555  -1.474
   88   2HG2  ILE   9          HG22      ILE   9  -4.720  -3.650  -1.851
   89   3HG2  ILE   9          HG23      ILE   9  -3.971  -3.492  -0.262
   90   1HD1  ILE   9          HD11      ILE   9  -1.672  -4.124  -4.548
   91   2HD1  ILE   9          HD12      ILE   9  -2.916  -4.784  -3.487
   92   3HD1  ILE   9          HD13      ILE   9  -1.358  -4.292  -2.821
   93    H    LYS  10           HN       LYS  10  -2.675  -0.282   0.559
   94    HA   LYS  10           HA       LYS  10  -4.570  -1.471   2.408
   95   1HB   LYS  10          HB2       LYS  10  -2.104  -0.833   2.733
   96   2HB   LYS  10          HB1       LYS  10  -2.667   0.830   2.898
   97   1HG   LYS  10          HG2       LYS  10  -3.701  -1.475   4.572
   98   2HG   LYS  10          HG1       LYS  10  -2.423  -0.376   5.093
   99   1HD   LYS  10          HD2       LYS  10  -4.355   1.385   4.261
  100   2HD   LYS  10          HD1       LYS  10  -5.331   0.075   4.926
  101   1HE   LYS  10          HE2       LYS  10  -2.959   1.039   6.500
  102   2HE   LYS  10          HE1       LYS  10  -4.463   1.983   6.534
  103   1HZ   LYS  10          HZ1       LYS  10  -5.646   0.259   7.427
  104   2HZ   LYS  10          HZ2       LYS  10  -4.135  -0.036   8.147
  105   3HZ   LYS  10          HZ3       LYS  10  -4.623  -0.935   6.790
  106    H    LYS  11           HN       LYS  11  -4.283   1.638   0.785
  107    HA   LYS  11           HA       LYS  11  -6.432   2.841   2.432
  108   1HB   LYS  11          HB2       LYS  11  -4.300   3.674   0.581
  109   2HB   LYS  11          HB1       LYS  11  -5.800   4.581   0.383
  110   1HG   LYS  11          HG2       LYS  11  -5.800   4.895   2.911
  111   2HG   LYS  11          HG1       LYS  11  -4.154   4.261   2.901
  112   1HD   LYS  11          HD2       LYS  11  -3.490   6.386   2.507
  113   2HD   LYS  11          HD1       LYS  11  -4.117   6.158   0.874
  114   1HE   LYS  11          HE2       LYS  11  -6.388   6.905   1.755
  115   2HE   LYS  11          HE1       LYS  11  -5.553   7.388   3.245
  116   1HZ   LYS  11          HZ1       LYS  11  -4.088   8.781   1.998
  117   2HZ   LYS  11          HZ2       LYS  11  -5.677   9.185   1.555
  118   3HZ   LYS  11          HZ3       LYS  11  -4.720   8.235   0.523
  119    H    LEU  12           HN       LEU  12  -5.862   1.758  -0.914
  120    HA   LEU  12           HA       LEU  12  -8.279   2.620  -2.106
  121   1HB   LEU  12          HB2       LEU  12  -6.148   0.642  -2.544
  122   2HB   LEU  12          HB1       LEU  12  -7.689   0.174  -3.263
  123    HG   LEU  12           HG       LEU  12  -7.370   2.931  -3.809
  124   1HD1  LEU  12          HD11      LEU  12  -4.834   1.332  -4.027
  125   2HD1  LEU  12          HD12      LEU  12  -5.054   3.003  -3.506
  126   3HD1  LEU  12          HD13      LEU  12  -5.177   2.588  -5.216
  127   1HD2  LEU  12          HD21      LEU  12  -6.828   1.733  -6.171
  128   2HD2  LEU  12          HD22      LEU  12  -8.451   1.787  -5.483
  129   3HD2  LEU  12          HD23      LEU  12  -7.455   0.346  -5.281
  130    H    PHE  13           HN       PHE  13  -7.672   0.007   0.146
  131    HA   PHE  13           HA       PHE  13  -9.888  -1.685  -0.313
  132   1HB   PHE  13          HB2       PHE  13  -8.139  -0.897   1.974
  133   2HB   PHE  13          HB1       PHE  13  -9.603  -1.802   2.360
  134    HD1  PHE  13           HD1      PHE  13  -7.881  -2.161  -0.875
  135    HD2  PHE  13           HD2      PHE  13  -8.406  -3.817   3.054
  136    HE1  PHE  13           HE1      PHE  13  -6.782  -4.258  -1.612
  137    HE2  PHE  13           HE2      PHE  13  -7.307  -5.914   2.316
  138    HZ   PHE  13           HZ       PHE  13  -6.495  -6.135  -0.017
  139   1HN   NH2  14          HN1       NH2  14 -11.731  -0.227  -0.888
  140   2HN   NH2  14          HN2       NH2  14 -12.578   0.603   0.326
  Start of MODEL   12
    1   1H    ILE   1           HT1      ILE   1  10.237   2.248  -1.489
    2   2H    ILE   1           HT2      ILE   1   9.419   0.779  -1.246
    3   3H    ILE   1           HT3      ILE   1  11.045   0.778  -1.737
    4    HA   ILE   1           HA       ILE   1  11.334   0.373   0.488
    5    HB   ILE   1           HB       ILE   1  11.182   3.338  -0.077
    6   1HG1  ILE   1          HG12      ILE   1  13.716   2.988   0.107
    7   2HG1  ILE   1          HG11      ILE   1  13.372   1.258   0.106
    8   1HG2  ILE   1          HG21      ILE   1  12.593   3.578   2.018
    9   2HG2  ILE   1          HG22      ILE   1  12.120   1.931   2.436
   10   3HG2  ILE   1          HG23      ILE   1  10.896   3.195   2.307
   11   1HD1  ILE   1          HD11      ILE   1  13.756   2.738  -2.160
   12   2HD1  ILE   1          HD12      ILE   1  12.000   2.790  -2.014
   13   3HD1  ILE   1          HD13      ILE   1  12.830   1.237  -2.105
   14    H    LEU   2           HN       LEU   2   8.910   3.018   0.308
   15    HA   LEU   2           HA       LEU   2   7.788   2.936   2.826
   16   1HB   LEU   2          HB2       LEU   2   6.714   3.293   0.048
   17   2HB   LEU   2          HB1       LEU   2   5.575   3.276   1.395
   18    HG   LEU   2           HG       LEU   2   7.371   4.952   2.446
   19   1HD1  LEU   2          HD11      LEU   2   8.185   6.466   0.608
   20   2HD1  LEU   2          HD12      LEU   2   7.668   5.246  -0.557
   21   3HD1  LEU   2          HD13      LEU   2   8.944   4.874   0.602
   22   1HD2  LEU   2          HD21      LEU   2   5.399   5.848   0.322
   23   2HD2  LEU   2          HD22      LEU   2   5.947   6.774   1.719
   24   3HD2  LEU   2          HD23      LEU   2   4.930   5.352   1.948
   25    H    GLY   3           HN       GLY   3   5.691   1.391   0.478
   26   1HA   GLY   3          HA2       GLY   3   5.970  -1.283   1.609
   27   2HA   GLY   3          HA1       GLY   3   4.499  -0.468   2.140
   28    H    LYS   4           HN       LYS   4   6.156  -1.868  -0.611
   29    HA   LYS   4           HA       LYS   4   4.056  -1.162  -2.528
   30   1HB   LYS   4          HB2       LYS   4   6.709  -2.283  -2.469
   31   2HB   LYS   4          HB1       LYS   4   5.656  -3.344  -3.405
   32   1HG   LYS   4          HG2       LYS   4   4.926  -0.773  -4.213
   33   2HG   LYS   4          HG1       LYS   4   6.684  -0.704  -4.085
   34   1HD   LYS   4          HD2       LYS   4   6.780  -2.837  -5.434
   35   2HD   LYS   4          HD1       LYS   4   5.045  -2.672  -5.702
   36   1HE   LYS   4          HE2       LYS   4   5.344  -1.049  -7.270
   37   2HE   LYS   4          HE1       LYS   4   6.544  -0.203  -6.273
   38   1HZ   LYS   4          HZ1       LYS   4   7.110  -2.783  -7.617
   39   2HZ   LYS   4          HZ2       LYS   4   8.220  -1.711  -6.906
   40   3HZ   LYS   4          HZ3       LYS   4   7.433  -1.289  -8.351
   41    H    ILE   5           HN       ILE   5   2.837  -2.371  -0.320
   42    HA   ILE   5           HA       ILE   5   1.713  -4.811  -1.557
   43    HB   ILE   5           HB       ILE   5   2.833  -4.800   1.260
   44   1HG1  ILE   5          HG12      ILE   5   4.059  -5.797  -1.330
   45   2HG1  ILE   5          HG11      ILE   5   4.707  -4.549  -0.264
   46   1HG2  ILE   5          HG21      ILE   5   0.955  -6.408   0.459
   47   2HG2  ILE   5          HG22      ILE   5   2.358  -7.109   1.265
   48   3HG2  ILE   5          HG23      ILE   5   2.225  -7.177  -0.492
   49   1HD1  ILE   5          HD11      ILE   5   5.178  -6.124   1.461
   50   2HD1  ILE   5          HD12      ILE   5   5.740  -6.882  -0.029
   51   3HD1  ILE   5          HD13      ILE   5   4.205  -7.374   0.687
   52    H    TRP   6           HN       TRP   6   1.678  -2.464   1.138
   53    HA   TRP   6           HA       TRP   6  -1.302  -2.598   1.083
   54   1HB   TRP   6          HB2       TRP   6   0.019  -4.105   2.838
   55   2HB   TRP   6          HB1       TRP   6   0.101  -2.583   3.725
   56    HD1  TRP   6           HD1      TRP   6  -1.815  -2.345   5.355
   57    HE1  TRP   6           HE1      TRP   6  -4.301  -3.026   5.412
   58    HE3  TRP   6           HE3      TRP   6  -2.189  -4.702   0.841
   59    HZ2  TRP   6           HZ2      TRP   6  -6.196  -4.390   3.761
   60    HZ3  TRP   6           HZ3      TRP   6  -4.343  -5.683   0.109
   61    HH2  TRP   6           HH2      TRP   6  -6.345  -5.531   1.562
   62    H    LYS   7           HN       LYS   7   1.620  -0.956   2.252
   63    HA   LYS   7           HA       LYS   7   0.663   1.322   3.475
   64   1HB   LYS   7          HB2       LYS   7   2.963   0.532   1.869
   65   2HB   LYS   7          HB1       LYS   7   2.613   2.252   1.696
   66   1HG   LYS   7          HG2       LYS   7   4.158   1.764   3.602
   67   2HG   LYS   7          HG1       LYS   7   2.666   2.554   4.112
   68   1HD   LYS   7          HD2       LYS   7   1.936  -0.076   4.257
   69   2HD   LYS   7          HD1       LYS   7   3.643  -0.173   4.689
   70   1HE   LYS   7          HE2       LYS   7   3.311   1.552   6.431
   71   2HE   LYS   7          HE1       LYS   7   1.590   1.644   6.004
   72   1HZ   LYS   7          HZ1       LYS   7   1.531   0.044   7.624
   73   2HZ   LYS   7          HZ2       LYS   7   3.078  -0.557   7.257
   74   3HZ   LYS   7          HZ3       LYS   7   1.757  -0.934   6.257
   75    HA   PRO   8           HA       PRO   8  -1.033   3.064  -0.415
   76   1HB   PRO   8          HB2       PRO   8  -0.466   1.995  -2.866
   77   2HB   PRO   8          HB1       PRO   8   0.681   3.013  -1.971
   78   1HG   PRO   8          HG2       PRO   8   0.590   0.053  -2.240
   79   2HG   PRO   8          HG1       PRO   8   1.984   1.144  -2.221
   80   1HD   PRO   8          HD2       PRO   8   1.214  -0.339  -0.073
   81   2HD   PRO   8          HD1       PRO   8   2.067   1.213   0.056
   82    H    ILE   9           HN       ILE   9  -1.089  -0.347  -1.538
   83    HA   ILE   9           HA       ILE   9  -3.560  -0.473  -2.769
   84    HB   ILE   9           HB       ILE   9  -2.141  -2.382  -0.897
   85   1HG1  ILE   9          HG12      ILE   9  -2.459  -2.925  -3.791
   86   2HG1  ILE   9          HG11      ILE   9  -1.473  -1.515  -3.399
   87   1HG2  ILE   9          HG21      ILE   9  -3.609  -4.139  -1.977
   88   2HG2  ILE   9          HG22      ILE   9  -4.603  -2.826  -2.607
   89   3HG2  ILE   9          HG23      ILE   9  -4.454  -3.062  -0.866
   90   1HD1  ILE   9          HD11      ILE   9  -0.151  -3.645  -3.545
   91   2HD1  ILE   9          HD12      ILE   9  -1.073  -4.258  -2.173
   92   3HD1  ILE   9          HD13      ILE   9  -0.030  -2.850  -1.975
   93    H    LYS  10           HN       LYS  10  -2.935  -0.079   0.661
   94    HA   LYS  10           HA       LYS  10  -5.461  -0.867   1.716
   95   1HB   LYS  10          HB2       LYS  10  -3.196  -0.218   2.819
   96   2HB   LYS  10          HB1       LYS  10  -3.805   1.435   2.739
   97   1HG   LYS  10          HG2       LYS  10  -5.138  -0.909   4.125
   98   2HG   LYS  10          HG1       LYS  10  -4.386   0.483   4.906
   99   1HD   LYS  10          HD2       LYS  10  -6.072   1.846   3.393
  100   2HD   LYS  10          HD1       LYS  10  -6.968   0.325   3.392
  101   1HE   LYS  10          HE2       LYS  10  -6.891   0.311   5.892
  102   2HE   LYS  10          HE1       LYS  10  -6.108   1.903   5.843
  103   1HZ   LYS  10          HZ1       LYS  10  -8.796   1.157   4.850
  104   2HZ   LYS  10          HZ2       LYS  10  -8.010   2.573   4.335
  105   3HZ   LYS  10          HZ3       LYS  10  -8.393   2.360   5.976
  106    H    LYS  11           HN       LYS  11  -4.354   2.219   0.354
  107    HA   LYS  11           HA       LYS  11  -6.823   3.641   0.968
  108   1HB   LYS  11          HB2       LYS  11  -4.553   4.203  -0.969
  109   2HB   LYS  11          HB1       LYS  11  -5.752   5.379  -0.430
  110   1HG   LYS  11          HG2       LYS  11  -4.276   3.901   1.692
  111   2HG   LYS  11          HG1       LYS  11  -3.367   5.108   0.782
  112   1HD   LYS  11          HD2       LYS  11  -5.146   6.779   1.274
  113   2HD   LYS  11          HD1       LYS  11  -5.976   5.571   2.256
  114   1HE   LYS  11          HE2       LYS  11  -4.736   6.518   3.950
  115   2HE   LYS  11          HE1       LYS  11  -3.465   5.446   3.329
  116   1HZ   LYS  11          HZ1       LYS  11  -2.468   7.516   3.208
  117   2HZ   LYS  11          HZ2       LYS  11  -3.906   8.309   2.773
  118   3HZ   LYS  11          HZ3       LYS  11  -3.092   7.338   1.641
  119    H    LEU  12           HN       LEU  12  -5.421   2.226  -2.009
  120    HA   LEU  12           HA       LEU  12  -7.760   2.878  -3.624
  121   1HB   LEU  12          HB2       LEU  12  -5.474   0.941  -4.105
  122   2HB   LEU  12          HB1       LEU  12  -6.501   1.683  -5.331
  123    HG   LEU  12           HG       LEU  12  -4.808   3.303  -3.419
  124   1HD1  LEU  12          HD11      LEU  12  -3.102   2.284  -4.595
  125   2HD1  LEU  12          HD12      LEU  12  -3.494   3.575  -5.732
  126   3HD1  LEU  12          HD13      LEU  12  -4.124   1.948  -5.993
  127   1HD2  LEU  12          HD21      LEU  12  -5.273   5.117  -4.915
  128   2HD2  LEU  12          HD22      LEU  12  -6.818   4.313  -4.634
  129   3HD2  LEU  12          HD23      LEU  12  -5.936   4.028  -6.134
  130    H    PHE  13           HN       PHE  13  -6.808   0.225  -1.569
  131    HA   PHE  13           HA       PHE  13  -9.056  -1.436  -2.655
  132   1HB   PHE  13          HB2       PHE  13  -6.407  -2.027  -2.332
  133   2HB   PHE  13          HB1       PHE  13  -7.065  -2.604  -0.800
  134    HD1  PHE  13           HD1      PHE  13  -6.499  -3.431  -4.196
  135    HD2  PHE  13           HD2      PHE  13  -9.299  -4.010  -0.990
  136    HE1  PHE  13           HE1      PHE  13  -7.386  -5.447  -5.335
  137    HE2  PHE  13           HE2      PHE  13 -10.186  -6.027  -2.130
  138    HZ   PHE  13           HZ       PHE  13  -9.229  -6.745  -4.302
  139   1HN   NH2  14          HN1       NH2  14 -10.234   0.352  -1.090
  140   2HN   NH2  14          HN2       NH2  14 -10.478  -0.184   0.502
  Start of MODEL   13
    1   1H    ILE   1           HT1      ILE   1 -12.679   1.095  -1.503
    2   2H    ILE   1           HT2      ILE   1 -12.094   1.847  -0.097
    3   3H    ILE   1           HT3      ILE   1 -13.312   0.668   0.011
    4    HA   ILE   1           HA       ILE   1 -11.572  -0.672   0.543
    5    HB   ILE   1           HB       ILE   1 -12.608  -1.378  -1.609
    6   1HG1  ILE   1          HG12      ILE   1  -9.720  -1.951  -2.042
    7   2HG1  ILE   1          HG11      ILE   1 -10.369  -2.365  -0.455
    8   1HG2  ILE   1          HG21      ILE   1 -11.165   0.830  -2.606
    9   2HG2  ILE   1          HG22      ILE   1 -12.139  -0.308  -3.536
   10   3HG2  ILE   1          HG23      ILE   1 -10.411  -0.593  -3.325
   11   1HD1  ILE   1          HD11      ILE   1 -11.747  -3.186  -3.016
   12   2HD1  ILE   1          HD12      ILE   1 -12.011  -3.816  -1.390
   13   3HD1  ILE   1          HD13      ILE   1 -10.516  -4.189  -2.248
   14    H    LEU   2           HN       LEU   2 -10.663   2.164  -1.264
   15    HA   LEU   2           HA       LEU   2  -8.615   3.341  -1.363
   16   1HB   LEU   2          HB2       LEU   2  -8.624   1.720   1.131
   17   2HB   LEU   2          HB1       LEU   2  -7.065   2.380   0.638
   18    HG   LEU   2           HG       LEU   2  -8.782   4.515   0.252
   19   1HD1  LEU   2          HD11      LEU   2 -10.488   3.055   1.511
   20   2HD1  LEU   2          HD12      LEU   2 -10.233   4.688   2.126
   21   3HD1  LEU   2          HD13      LEU   2  -9.481   3.312   2.935
   22   1HD2  LEU   2          HD21      LEU   2  -6.521   3.837   1.792
   23   2HD2  LEU   2          HD22      LEU   2  -7.678   4.521   2.934
   24   3HD2  LEU   2          HD23      LEU   2  -7.172   5.454   1.525
   25    H    GLY   3           HN       GLY   3  -7.122   0.431  -0.058
   26   1HA   GLY   3          HA2       GLY   3  -6.474  -1.089  -2.254
   27   2HA   GLY   3          HA1       GLY   3  -5.347   0.263  -2.375
   28    H    LYS   4           HN       LYS   4  -5.967  -2.730  -0.842
   29    HA   LYS   4           HA       LYS   4  -4.177  -2.288   1.447
   30   1HB   LYS   4          HB2       LYS   4  -5.416  -4.794   0.260
   31   2HB   LYS   4          HB1       LYS   4  -4.696  -4.661   1.865
   32   1HG   LYS   4          HG2       LYS   4  -7.058  -3.018   0.908
   33   2HG   LYS   4          HG1       LYS   4  -7.189  -4.470   1.902
   34   1HD   LYS   4          HD2       LYS   4  -5.590  -3.300   3.537
   35   2HD   LYS   4          HD1       LYS   4  -5.919  -1.826   2.625
   36   1HE   LYS   4          HE2       LYS   4  -8.440  -3.045   3.122
   37   2HE   LYS   4          HE1       LYS   4  -7.547  -3.048   4.656
   38   1HZ   LYS   4          HZ1       LYS   4  -6.980  -0.726   4.290
   39   2HZ   LYS   4          HZ2       LYS   4  -8.666  -0.927   4.314
   40   3HZ   LYS   4          HZ3       LYS   4  -7.854  -0.717   2.837
   41    H    ILE   5           HN       ILE   5  -3.462  -2.401  -1.698
   42    HA   ILE   5           HA       ILE   5  -1.007  -4.078  -1.289
   43    HB   ILE   5           HB       ILE   5  -2.676  -3.597  -3.780
   44   1HG1  ILE   5          HG12      ILE   5  -2.371  -5.945  -1.890
   45   2HG1  ILE   5          HG11      ILE   5  -3.853  -5.087  -2.314
   46   1HG2  ILE   5          HG21      ILE   5  -0.193  -5.268  -3.289
   47   2HG2  ILE   5          HG22      ILE   5  -0.339  -3.886  -4.374
   48   3HG2  ILE   5          HG23      ILE   5  -1.193  -5.386  -4.737
   49   1HD1  ILE   5          HD11      ILE   5  -2.424  -7.213  -3.781
   50   2HD1  ILE   5          HD12      ILE   5  -2.968  -5.867  -4.783
   51   3HD1  ILE   5          HD13      ILE   5  -4.132  -6.773  -3.816
   52    H    TRP   6           HN       TRP   6  -2.323  -1.003  -2.166
   53    HA   TRP   6           HA       TRP   6   0.253  -0.120  -3.386
   54   1HB   TRP   6          HB2       TRP   6  -1.694   0.442  -4.661
   55   2HB   TRP   6          HB1       TRP   6  -2.562   0.985  -3.225
   56    HD1  TRP   6           HD1      TRP   6  -2.869   3.496  -3.616
   57    HE1  TRP   6           HE1      TRP   6  -1.286   5.475  -4.086
   58    HE3  TRP   6           HE3      TRP   6   1.505   0.968  -4.361
   59    HZ2  TRP   6           HZ2      TRP   6   1.472   5.927  -4.698
   60    HZ3  TRP   6           HZ3      TRP   6   3.592   2.196  -4.886
   61    HH2  TRP   6           HH2      TRP   6   3.582   4.670  -5.055
   62    H    LYS   7           HN       LYS   7  -1.727   0.191  -0.526
   63    HA   LYS   7           HA       LYS   7  -0.410   2.595   0.487
   64   1HB   LYS   7          HB2       LYS   7  -2.659   2.167   1.152
   65   2HB   LYS   7          HB1       LYS   7  -2.292   0.496   1.581
   66   1HG   LYS   7          HG2       LYS   7  -0.568   2.273   3.058
   67   2HG   LYS   7          HG1       LYS   7  -2.250   2.752   3.288
   68   1HD   LYS   7          HD2       LYS   7  -2.792   0.820   4.389
   69   2HD   LYS   7          HD1       LYS   7  -1.702  -0.163   3.409
   70   1HE   LYS   7          HE2       LYS   7  -0.271   1.780   5.084
   71   2HE   LYS   7          HE1       LYS   7  -1.207   0.600   6.023
   72   1HZ   LYS   7          HZ1       LYS   7  -0.016  -1.128   5.227
   73   2HZ   LYS   7          HZ2       LYS   7   1.183   0.053   4.991
   74   3HZ   LYS   7          HZ3       LYS   7   0.197  -0.431   3.695
   75    HA   PRO   8           HA       PRO   8   1.998  -0.578   2.940
   76   1HB   PRO   8          HB2       PRO   8   1.931  -3.224   2.258
   77   2HB   PRO   8          HB1       PRO   8   0.751  -2.479   3.355
   78   1HG   PRO   8          HG2       PRO   8   0.485  -3.180   0.482
   79   2HG   PRO   8          HG1       PRO   8  -0.705  -3.287   1.787
   80   1HD   PRO   8          HD2       PRO   8  -0.664  -1.293  -0.077
   81   2HD   PRO   8          HD1       PRO   8  -1.350  -1.114   1.551
   82    H    ILE   9           HN       ILE   9   1.796  -1.432  -0.508
   83    HA   ILE   9           HA       ILE   9   4.436  -2.387  -0.906
   84    HB   ILE   9           HB       ILE   9   2.329  -1.002  -2.542
   85   1HG1  ILE   9          HG12      ILE   9   3.738  -3.687  -2.683
   86   2HG1  ILE   9          HG11      ILE   9   2.113  -3.393  -2.063
   87   1HG2  ILE   9          HG21      ILE   9   3.829  -1.403  -4.560
   88   2HG2  ILE   9          HG22      ILE   9   5.165  -1.601  -3.426
   89   3HG2  ILE   9          HG23      ILE   9   4.312  -0.060  -3.522
   90   1HD1  ILE   9          HD11      ILE   9   3.097  -3.365  -4.890
   91   2HD1  ILE   9          HD12      ILE   9   1.761  -2.298  -4.455
   92   3HD1  ILE   9          HD13      ILE   9   1.607  -4.041  -4.231
   93    H    LYS  10           HN       LYS  10   3.240   0.958  -1.457
   94    HA   LYS  10           HA       LYS  10   5.757   2.172  -1.914
   95   1HB   LYS  10          HB2       LYS  10   3.433   3.111  -2.239
   96   2HB   LYS  10          HB1       LYS  10   3.349   3.351  -0.493
   97   1HG   LYS  10          HG2       LYS  10   5.600   4.480  -2.163
   98   2HG   LYS  10          HG1       LYS  10   4.106   5.371  -1.875
   99   1HD   LYS  10          HD2       LYS  10   4.796   4.485   0.657
  100   2HD   LYS  10          HD1       LYS  10   6.356   4.880  -0.064
  101   1HE   LYS  10          HE2       LYS  10   5.724   6.970   0.776
  102   2HE   LYS  10          HE1       LYS  10   5.043   7.064  -0.860
  103   1HZ   LYS  10          HZ1       LYS  10   2.939   6.526  -0.116
  104   2HZ   LYS  10          HZ2       LYS  10   3.504   7.506   1.151
  105   3HZ   LYS  10          HZ3       LYS  10   3.500   5.815   1.318
  106    H    LYS  11           HN       LYS  11   4.224   1.151   1.070
  107    HA   LYS  11           HA       LYS  11   5.850   2.710   2.886
  108   1HB   LYS  11          HB2       LYS  11   3.671   0.905   2.931
  109   2HB   LYS  11          HB1       LYS  11   4.918   0.188   3.951
  110   1HG   LYS  11          HG2       LYS  11   4.853   2.981   4.515
  111   2HG   LYS  11          HG1       LYS  11   3.191   2.392   4.552
  112   1HD   LYS  11          HD2       LYS  11   4.467   0.382   5.880
  113   2HD   LYS  11          HD1       LYS  11   5.452   1.767   6.354
  114   1HE   LYS  11          HE2       LYS  11   3.102   2.914   6.771
  115   2HE   LYS  11          HE1       LYS  11   2.551   1.233   6.915
  116   1HZ   LYS  11          HZ1       LYS  11   5.026   2.113   8.254
  117   2HZ   LYS  11          HZ2       LYS  11   4.014   0.802   8.633
  118   3HZ   LYS  11          HZ3       LYS  11   3.523   2.389   8.990
  119    H    LEU  12           HN       LEU  12   6.023  -0.693   1.776
  120    HA   LEU  12           HA       LEU  12   8.668  -1.018   3.067
  121   1HB   LEU  12          HB2       LEU  12   6.621  -2.746   1.699
  122   2HB   LEU  12          HB1       LEU  12   8.258  -3.360   1.934
  123    HG   LEU  12           HG       LEU  12   6.595  -2.190   4.177
  124   1HD1  LEU  12          HD11      LEU  12   7.085  -5.128   3.895
  125   2HD1  LEU  12          HD12      LEU  12   5.800  -4.403   2.929
  126   3HD1  LEU  12          HD13      LEU  12   5.755  -4.286   4.688
  127   1HD2  LEU  12          HD21      LEU  12   8.684  -4.185   4.724
  128   2HD2  LEU  12          HD22      LEU  12   8.393  -2.626   5.495
  129   3HD2  LEU  12          HD23      LEU  12   9.304  -2.708   3.987
  130    H    PHE  13           HN       PHE  13   7.837   0.540   0.384
  131    HA   PHE  13           HA       PHE  13   9.528  -0.780  -1.615
  132   1HB   PHE  13          HB2       PHE  13   7.386   0.902  -1.657
  133   2HB   PHE  13          HB1       PHE  13   8.699   2.052  -1.915
  134    HD1  PHE  13           HD1      PHE  13   9.733   2.246  -4.026
  135    HD2  PHE  13           HD2      PHE  13   7.319  -1.197  -3.145
  136    HE1  PHE  13           HE1      PHE  13   9.911   1.516  -6.389
  137    HE2  PHE  13           HE2      PHE  13   7.497  -1.926  -5.509
  138    HZ   PHE  13           HZ       PHE  13   8.793  -0.570  -7.131
  139   1HN   NH2  14          HN1       NH2  14   9.804   2.129   0.486
  140   2HN   NH2  14          HN2       NH2  14  11.465   2.360   0.226
  Start of MODEL   14
    1   1H    ILE   1           HT1      ILE   1  -9.847   2.733   3.211
    2   2H    ILE   1           HT2      ILE   1 -10.755   1.438   3.832
    3   3H    ILE   1           HT3      ILE   1 -11.264   2.237   2.421
    4    HA   ILE   1           HA       ILE   1  -9.136   0.246   2.768
    5    HB   ILE   1           HB       ILE   1 -11.352   0.972   0.842
    6   1HG1  ILE   1          HG12      ILE   1 -11.980  -1.443   1.451
    7   2HG1  ILE   1          HG11      ILE   1 -10.756  -1.327   2.716
    8   1HG2  ILE   1          HG21      ILE   1 -10.600  -1.240  -0.290
    9   2HG2  ILE   1          HG22      ILE   1  -9.052  -0.950   0.505
   10   3HG2  ILE   1          HG23      ILE   1  -9.684   0.224  -0.650
   11   1HD1  ILE   1          HD11      ILE   1 -12.027   0.064   3.994
   12   2HD1  ILE   1          HD12      ILE   1 -13.365  -0.581   3.044
   13   3HD1  ILE   1          HD13      ILE   1 -12.626   0.956   2.596
   14    H    LEU   2           HN       LEU   2 -10.074   2.681   0.301
   15    HA   LEU   2           HA       LEU   2  -8.723   3.875  -1.231
   16   1HB   LEU   2          HB2       LEU   2  -7.038   3.764   1.290
   17   2HB   LEU   2          HB1       LEU   2  -6.690   4.828  -0.074
   18    HG   LEU   2           HG       LEU   2  -9.485   4.963   0.810
   19   1HD1  LEU   2          HD11      LEU   2  -7.263   5.253   2.757
   20   2HD1  LEU   2          HD12      LEU   2  -8.964   4.879   3.037
   21   3HD1  LEU   2          HD13      LEU   2  -8.462   6.547   2.757
   22   1HD2  LEU   2          HD21      LEU   2  -8.181   7.450   1.011
   23   2HD2  LEU   2          HD22      LEU   2  -9.138   6.866  -0.351
   24   3HD2  LEU   2          HD23      LEU   2  -7.392   6.618  -0.329
   25    H    GLY   3           HN       GLY   3  -5.883   2.590   0.374
   26   1HA   GLY   3          HA2       GLY   3  -5.388   0.855  -2.015
   27   2HA   GLY   3          HA1       GLY   3  -4.112   1.804  -1.258
   28    H    LYS   4           HN       LYS   4  -6.495  -0.724  -0.474
   29    HA   LYS   4           HA       LYS   4  -5.296  -1.590   1.968
   30   1HB   LYS   4          HB2       LYS   4  -7.383  -2.343   0.129
   31   2HB   LYS   4          HB1       LYS   4  -6.491  -3.785   0.616
   32   1HG   LYS   4          HG2       LYS   4  -7.226  -1.813   2.739
   33   2HG   LYS   4          HG1       LYS   4  -8.502  -2.846   2.092
   34   1HD   LYS   4          HD2       LYS   4  -6.055  -4.343   2.631
   35   2HD   LYS   4          HD1       LYS   4  -6.678  -3.551   4.079
   36   1HE   LYS   4          HE2       LYS   4  -8.039  -5.393   4.205
   37   2HE   LYS   4          HE1       LYS   4  -8.988  -4.551   2.964
   38   1HZ   LYS   4          HZ1       LYS   4  -7.079  -6.746   2.666
   39   2HZ   LYS   4          HZ2       LYS   4  -7.115  -5.575   1.436
   40   3HZ   LYS   4          HZ3       LYS   4  -8.520  -6.448   1.824
   41    H    ILE   5           HN       ILE   5  -4.190  -1.858  -1.259
   42    HA   ILE   5           HA       ILE   5  -2.044  -3.733  -0.381
   43    HB   ILE   5           HB       ILE   5  -3.905  -5.009  -1.441
   44   1HG1  ILE   5          HG12      ILE   5  -1.634  -4.928  -3.418
   45   2HG1  ILE   5          HG11      ILE   5  -1.352  -5.479  -1.766
   46   1HG2  ILE   5          HG21      ILE   5  -4.963  -4.215  -3.263
   47   2HG2  ILE   5          HG22      ILE   5  -3.444  -4.127  -4.154
   48   3HG2  ILE   5          HG23      ILE   5  -3.961  -2.767  -3.158
   49   1HD1  ILE   5          HD11      ILE   5  -2.658  -6.865  -3.966
   50   2HD1  ILE   5          HD12      ILE   5  -3.698  -6.788  -2.543
   51   3HD1  ILE   5          HD13      ILE   5  -2.091  -7.505  -2.423
   52    H    TRP   6           HN       TRP   6  -1.948  -0.884  -0.828
   53    HA   TRP   6           HA       TRP   6   0.048  -0.821  -3.028
   54   1HB   TRP   6          HB2       TRP   6  -2.255  -0.252  -3.896
   55   2HB   TRP   6          HB1       TRP   6  -2.265   1.126  -2.795
   56    HD1  TRP   6           HD1      TRP   6  -1.777   3.221  -4.137
   57    HE1  TRP   6           HE1      TRP   6  -0.090   3.895  -5.966
   58    HE3  TRP   6           HE3      TRP   6   0.540  -1.266  -4.896
   59    HZ2  TRP   6           HZ2      TRP   6   1.971   2.690  -7.542
   60    HZ3  TRP   6           HZ3      TRP   6   2.360  -1.475  -6.565
   61    HH2  TRP   6           HH2      TRP   6   3.077   0.496  -7.888
   62    H    LYS   7           HN       LYS   7  -1.551   0.871  -0.351
   63    HA   LYS   7           HA       LYS   7   0.302   3.030  -0.073
   64   1HB   LYS   7          HB2       LYS   7  -1.816   1.662   1.485
   65   2HB   LYS   7          HB1       LYS   7  -0.648   2.572   2.444
   66   1HG   LYS   7          HG2       LYS   7  -1.661   4.493   1.866
   67   2HG   LYS   7          HG1       LYS   7  -1.335   4.153   0.166
   68   1HD   LYS   7          HD2       LYS   7  -3.464   3.480  -0.227
   69   2HD   LYS   7          HD1       LYS   7  -3.546   2.567   1.280
   70   1HE   LYS   7          HE2       LYS   7  -3.594   5.584   1.341
   71   2HE   LYS   7          HE1       LYS   7  -5.083   4.662   1.049
   72   1HZ   LYS   7          HZ1       LYS   7  -3.206   4.136   3.291
   73   2HZ   LYS   7          HZ2       LYS   7  -4.718   3.406   3.034
   74   3HZ   LYS   7          HZ3       LYS   7  -4.625   5.053   3.442
   75    HA   PRO   8           HA       PRO   8   2.601   0.264   3.021
   76   1HB   PRO   8          HB2       PRO   8   2.022  -2.407   3.117
   77   2HB   PRO   8          HB1       PRO   8   1.187  -1.202   4.117
   78   1HG   PRO   8          HG2       PRO   8   0.300  -2.517   1.602
   79   2HG   PRO   8          HG1       PRO   8  -0.633  -2.097   3.047
   80   1HD   PRO   8          HD2       PRO   8  -0.682  -0.633   0.752
   81   2HD   PRO   8          HD1       PRO   8  -0.975   0.056   2.362
   82    H    ILE   9           HN       ILE   9   1.623  -1.431   0.049
   83    HA   ILE   9           HA       ILE   9   4.101  -2.811  -0.407
   84    HB   ILE   9           HB       ILE   9   1.759  -1.896  -2.078
   85   1HG1  ILE   9          HG12      ILE   9   2.754  -4.700  -1.574
   86   2HG1  ILE   9          HG11      ILE   9   1.753  -3.865  -0.386
   87   1HG2  ILE   9          HG21      ILE   9   4.371  -3.064  -2.974
   88   2HG2  ILE   9          HG22      ILE   9   3.344  -1.877  -3.778
   89   3HG2  ILE   9          HG23      ILE   9   2.890  -3.581  -3.781
   90   1HD1  ILE   9          HD11      ILE   9  -0.120  -4.077  -1.645
   91   2HD1  ILE   9          HD12      ILE   9   0.782  -5.319  -2.515
   92   3HD1  ILE   9          HD13      ILE   9   0.730  -3.669  -3.135
   93    H    LYS  10           HN       LYS  10   3.166   0.511  -0.782
   94    HA   LYS  10           HA       LYS  10   5.283   1.151  -2.727
   95   1HB   LYS  10          HB2       LYS  10   2.971   2.223  -2.504
   96   2HB   LYS  10          HB1       LYS  10   3.581   3.010  -1.049
   97   1HG   LYS  10          HG2       LYS  10   4.979   3.207  -3.725
   98   2HG   LYS  10          HG1       LYS  10   3.776   4.379  -3.186
   99   1HD   LYS  10          HD2       LYS  10   5.379   4.261  -0.987
  100   2HD   LYS  10          HD1       LYS  10   6.559   3.974  -2.266
  101   1HE   LYS  10          HE2       LYS  10   6.568   6.201  -2.682
  102   2HE   LYS  10          HE1       LYS  10   4.866   6.080  -3.168
  103   1HZ   LYS  10          HZ1       LYS  10   4.598   5.911  -0.549
  104   2HZ   LYS  10          HZ2       LYS  10   4.596   7.403  -1.362
  105   3HZ   LYS  10          HZ3       LYS  10   6.009   6.852  -0.595
  106    H    LYS  11           HN       LYS  11   4.753   1.310   0.753
  107    HA   LYS  11           HA       LYS  11   7.005   3.021   1.369
  108   1HB   LYS  11          HB2       LYS  11   4.888   1.538   2.683
  109   2HB   LYS  11          HB1       LYS  11   6.410   1.331   3.550
  110   1HG   LYS  11          HG2       LYS  11   5.812   4.091   2.643
  111   2HG   LYS  11          HG1       LYS  11   4.771   3.460   3.920
  112   1HD   LYS  11          HD2       LYS  11   6.734   2.900   5.278
  113   2HD   LYS  11          HD1       LYS  11   7.803   3.462   3.992
  114   1HE   LYS  11          HE2       LYS  11   7.642   5.583   4.764
  115   2HE   LYS  11          HE1       LYS  11   5.876   5.527   4.592
  116   1HZ   LYS  11          HZ1       LYS  11   6.689   5.806   6.931
  117   2HZ   LYS  11          HZ2       LYS  11   7.335   4.237   6.831
  118   3HZ   LYS  11          HZ3       LYS  11   5.659   4.480   6.690
  119    H    LEU  12           HN       LEU  12   6.556  -0.501   1.905
  120    HA   LEU  12           HA       LEU  12   9.236  -1.110   2.571
  121   1HB   LEU  12          HB2       LEU  12   6.769  -2.450   1.798
  122   2HB   LEU  12          HB1       LEU  12   8.185  -3.309   1.190
  123    HG   LEU  12           HG       LEU  12   8.169  -2.333   4.028
  124   1HD1  LEU  12          HD11      LEU  12   6.188  -3.511   4.230
  125   2HD1  LEU  12          HD12      LEU  12   7.338  -4.835   4.419
  126   3HD1  LEU  12          HD13      LEU  12   6.553  -4.564   2.863
  127   1HD2  LEU  12          HD21      LEU  12   9.883  -3.863   4.295
  128   2HD2  LEU  12          HD22      LEU  12  10.081  -3.516   2.577
  129   3HD2  LEU  12          HD23      LEU  12   9.223  -4.969   3.090
  130    H    PHE  13           HN       PHE  13   7.684  -1.684  -0.597
  131    HA   PHE  13           HA       PHE  13  10.268  -1.995  -1.928
  132   1HB   PHE  13          HB2       PHE  13   7.490  -1.671  -3.097
  133   2HB   PHE  13          HB1       PHE  13   8.872  -2.475  -3.838
  134    HD1  PHE  13           HD1      PHE  13   9.750  -3.694  -1.042
  135    HD2  PHE  13           HD2      PHE  13   6.105  -3.712  -3.315
  136    HE1  PHE  13           HE1      PHE  13   9.089  -5.828   0.035
  137    HE2  PHE  13           HE2      PHE  13   5.444  -5.846  -2.238
  138    HZ   PHE  13           HZ       PHE  13   6.936  -6.904  -0.563
  139   1HN   NH2  14          HN1       NH2  14   9.410  -0.564  -4.402
  140   2HN   NH2  14          HN2       NH2  14   9.626   1.092  -4.100
  Start of MODEL   15
    1   1H    ILE   1           HT1      ILE   1   9.765   4.430   3.685
    2   2H    ILE   1           HT2      ILE   1   8.202   4.023   4.211
    3   3H    ILE   1           HT3      ILE   1   8.437   5.359   3.188
    4    HA   ILE   1           HA       ILE   1   7.705   3.794   1.678
    5    HB   ILE   1           HB       ILE   1  10.708   3.412   1.905
    6   1HG1  ILE   1          HG12      ILE   1   9.099   5.597   0.544
    7   2HG1  ILE   1          HG11      ILE   1  10.049   5.796   2.017
    8   1HG2  ILE   1          HG21      ILE   1  10.673   2.926  -0.418
    9   2HG2  ILE   1          HG22      ILE   1   9.022   3.521  -0.599
   10   3HG2  ILE   1          HG23      ILE   1   9.325   2.004   0.248
   11   1HD1  ILE   1          HD11      ILE   1  11.951   6.041   0.837
   12   2HD1  ILE   1          HD12      ILE   1  10.964   6.088  -0.624
   13   3HD1  ILE   1          HD13      ILE   1  11.641   4.558  -0.065
   14    H    LEU   2           HN       LEU   2   6.600   2.222   3.165
   15    HA   LEU   2           HA       LEU   2   8.135  -0.352   3.346
   16   1HB   LEU   2          HB2       LEU   2   6.071   0.788   5.260
   17   2HB   LEU   2          HB1       LEU   2   6.948  -0.728   5.468
   18    HG   LEU   2           HG       LEU   2   8.628   1.667   4.990
   19   1HD1  LEU   2          HD11      LEU   2   7.173   1.237   7.619
   20   2HD1  LEU   2          HD12      LEU   2   6.874   2.565   6.498
   21   3HD1  LEU   2          HD13      LEU   2   8.430   2.436   7.317
   22   1HD2  LEU   2          HD21      LEU   2   8.700  -0.618   6.989
   23   2HD2  LEU   2          HD22      LEU   2   9.990   0.556   6.730
   24   3HD2  LEU   2          HD23      LEU   2   9.558  -0.575   5.448
   25    H    GLY   3           HN       GLY   3   7.146  -1.962   2.197
   26   1HA   GLY   3          HA2       GLY   3   5.344  -3.311   1.430
   27   2HA   GLY   3          HA1       GLY   3   4.214  -2.130   2.091
   28    H    LYS   4           HN       LYS   4   6.209  -2.937  -0.681
   29    HA   LYS   4           HA       LYS   4   5.802  -0.606  -2.266
   30   1HB   LYS   4          HB2       LYS   4   7.411  -2.374  -2.777
   31   2HB   LYS   4          HB1       LYS   4   6.105  -3.541  -2.982
   32   1HG   LYS   4          HG2       LYS   4   5.204  -1.962  -4.800
   33   2HG   LYS   4          HG1       LYS   4   6.780  -1.172  -4.730
   34   1HD   LYS   4          HD2       LYS   4   6.892  -4.117  -4.896
   35   2HD   LYS   4          HD1       LYS   4   6.213  -3.326  -6.320
   36   1HE   LYS   4          HE2       LYS   4   8.189  -2.106  -6.740
   37   2HE   LYS   4          HE1       LYS   4   8.782  -2.326  -5.082
   38   1HZ   LYS   4          HZ1       LYS   4   8.613  -4.315  -7.259
   39   2HZ   LYS   4          HZ2       LYS   4   8.630  -4.811  -5.634
   40   3HZ   LYS   4          HZ3       LYS   4   9.938  -3.934  -6.271
   41    H    ILE   5           HN       ILE   5   3.563  -2.985  -1.217
   42    HA   ILE   5           HA       ILE   5   1.531  -1.924  -3.144
   43    HB   ILE   5           HB       ILE   5   1.858  -4.805  -2.248
   44   1HG1  ILE   5          HG12      ILE   5   2.757  -3.368  -4.761
   45   2HG1  ILE   5          HG11      ILE   5   3.759  -4.272  -3.625
   46   1HG2  ILE   5          HG21      ILE   5  -0.005  -5.271  -3.481
   47   2HG2  ILE   5          HG22      ILE   5   0.393  -4.076  -4.716
   48   3HG2  ILE   5          HG23      ILE   5  -0.371  -3.568  -3.209
   49   1HD1  ILE   5          HD11      ILE   5   2.317  -5.250  -5.917
   50   2HD1  ILE   5          HD12      ILE   5   1.700  -6.032  -4.461
   51   3HD1  ILE   5          HD13      ILE   5   3.418  -6.125  -4.852
   52    H    TRP   6           HN       TRP   6   2.421  -2.198   0.026
   53    HA   TRP   6           HA       TRP   6  -0.248  -2.837   1.130
   54   1HB   TRP   6          HB2       TRP   6   2.500  -2.887   1.949
   55   2HB   TRP   6          HB1       TRP   6   1.608  -1.859   3.070
   56    HD1  TRP   6           HD1      TRP   6   2.701  -5.103   3.222
   57    HE1  TRP   6           HE1      TRP   6   1.026  -6.759   4.268
   58    HE3  TRP   6           HE3      TRP   6  -1.605  -2.390   2.795
   59    HZ2  TRP   6           HZ2      TRP   6  -1.771  -6.913   4.847
   60    HZ3  TRP   6           HZ3      TRP   6  -3.758  -3.315   3.601
   61    HH2  TRP   6           HH2      TRP   6  -3.847  -5.571   4.626
   62    H    LYS   7           HN       LYS   7   1.812  -0.046   0.519
   63    HA   LYS   7           HA       LYS   7   0.396   1.836   2.176
   64   1HB   LYS   7          HB2       LYS   7   2.018   2.227  -0.361
   65   2HB   LYS   7          HB1       LYS   7   1.655   3.473   0.832
   66   1HG   LYS   7          HG2       LYS   7   2.721   1.642   2.477
   67   2HG   LYS   7          HG1       LYS   7   3.564   1.190   0.995
   68   1HD   LYS   7          HD2       LYS   7   3.540   3.906   2.334
   69   2HD   LYS   7          HD1       LYS   7   4.924   2.836   2.110
   70   1HE   LYS   7          HE2       LYS   7   3.368   4.265  -0.074
   71   2HE   LYS   7          HE1       LYS   7   5.058   4.544   0.394
   72   1HZ   LYS   7          HZ1       LYS   7   3.870   2.175  -0.906
   73   2HZ   LYS   7          HZ2       LYS   7   5.301   2.032  -0.002
   74   3HZ   LYS   7          HZ3       LYS   7   5.248   3.054  -1.358
   75    HA   PRO   8           HA       PRO   8  -2.119   2.717  -1.701
   76   1HB   PRO   8          HB2       PRO   8  -2.125   0.937  -3.775
   77   2HB   PRO   8          HB1       PRO   8  -0.954   2.265  -3.651
   78   1HG   PRO   8          HG2       PRO   8  -0.625  -0.616  -2.994
   79   2HG   PRO   8          HG1       PRO   8   0.511   0.505  -3.760
   80   1HD   PRO   8          HD2       PRO   8   0.667  -0.228  -1.148
   81   2HD   PRO   8          HD1       PRO   8   1.246   1.333  -1.764
   82    H    ILE   9           HN       ILE   9  -1.832  -0.824  -1.275
   83    HA   ILE   9           HA       ILE   9  -4.490  -1.608  -1.694
   84    HB   ILE   9           HB       ILE   9  -2.275  -2.496   0.154
   85   1HG1  ILE   9          HG12      ILE   9  -3.609  -3.806  -2.236
   86   2HG1  ILE   9          HG11      ILE   9  -2.131  -2.847  -2.323
   87   1HG2  ILE   9          HG21      ILE   9  -4.918  -3.931  -0.239
   88   2HG2  ILE   9          HG22      ILE   9  -4.492  -3.026   1.214
   89   3HG2  ILE   9          HG23      ILE   9  -3.568  -4.460   0.765
   90   1HD1  ILE   9          HD11      ILE   9  -2.570  -5.514  -0.995
   91   2HD1  ILE   9          HD12      ILE   9  -1.252  -4.463  -0.478
   92   3HD1  ILE   9          HD13      ILE   9  -1.315  -5.044  -2.142
   93    H    LYS  10           HN       LYS  10  -3.172   0.303   0.904
   94    HA   LYS  10           HA       LYS  10  -5.349  -0.162   2.789
   95   1HB   LYS  10          HB2       LYS  10  -2.949   0.546   3.263
   96   2HB   LYS  10          HB1       LYS  10  -3.382   2.138   2.639
   97   1HG   LYS  10          HG2       LYS  10  -4.954   0.795   4.844
   98   2HG   LYS  10          HG1       LYS  10  -3.564   1.830   5.176
   99   1HD   LYS  10          HD2       LYS  10  -4.910   3.431   3.468
  100   2HD   LYS  10          HD1       LYS  10  -6.267   2.555   4.177
  101   1HE   LYS  10          HE2       LYS  10  -5.585   3.202   6.425
  102   2HE   LYS  10          HE1       LYS  10  -4.111   3.962   5.792
  103   1HZ   LYS  10          HZ1       LYS  10  -6.698   4.723   4.637
  104   2HZ   LYS  10          HZ2       LYS  10  -5.277   5.641   4.799
  105   3HZ   LYS  10          HZ3       LYS  10  -6.276   5.369   6.147
  106    H    LYS  11           HN       LYS  11  -4.607   2.227   0.289
  107    HA   LYS  11           HA       LYS  11  -6.905   3.927   0.996
  108   1HB   LYS  11          HB2       LYS  11  -4.788   3.877  -1.165
  109   2HB   LYS  11          HB1       LYS  11  -6.086   5.071  -1.161
  110   1HG   LYS  11          HG2       LYS  11  -5.095   6.270   0.473
  111   2HG   LYS  11          HG1       LYS  11  -4.839   4.832   1.462
  112   1HD   LYS  11          HD2       LYS  11  -2.655   4.864   0.934
  113   2HD   LYS  11          HD1       LYS  11  -3.071   4.668  -0.769
  114   1HE   LYS  11          HE2       LYS  11  -3.469   7.188  -0.845
  115   2HE   LYS  11          HE1       LYS  11  -2.708   7.263   0.757
  116   1HZ   LYS  11          HZ1       LYS  11  -1.488   5.912  -1.589
  117   2HZ   LYS  11          HZ2       LYS  11  -0.760   6.213  -0.083
  118   3HZ   LYS  11          HZ3       LYS  11  -1.118   7.503  -1.130
  119    H    LEU  12           HN       LEU  12  -5.959   1.982  -1.871
  120    HA   LEU  12           HA       LEU  12  -8.315   2.226  -3.373
  121   1HB   LEU  12          HB2       LEU  12  -6.034   0.399  -3.106
  122   2HB   LEU  12          HB1       LEU  12  -7.475  -0.389  -3.749
  123    HG   LEU  12           HG       LEU  12  -7.104   2.225  -4.954
  124   1HD1  LEU  12          HD11      LEU  12  -4.905   2.243  -5.424
  125   2HD1  LEU  12          HD12      LEU  12  -5.032   0.641  -6.150
  126   3HD1  LEU  12          HD13      LEU  12  -4.694   0.803  -4.426
  127   1HD2  LEU  12          HD21      LEU  12  -6.738  -0.163  -6.618
  128   2HD2  LEU  12          HD22      LEU  12  -7.972   1.093  -6.716
  129   3HD2  LEU  12          HD23      LEU  12  -8.171  -0.254  -5.594
  130    H    PHE  13           HN       PHE  13  -7.620   0.009  -0.688
  131    HA   PHE  13           HA       PHE  13 -10.442  -0.975  -0.805
  132   1HB   PHE  13          HB2       PHE  13  -7.808  -2.004   0.219
  133   2HB   PHE  13          HB1       PHE  13  -9.309  -2.661   0.870
  134    HD1  PHE  13           HD1      PHE  13 -11.152  -2.862  -1.266
  135    HD2  PHE  13           HD2      PHE  13  -6.893  -3.409  -1.396
  136    HE1  PHE  13           HE1      PHE  13 -11.397  -4.295  -3.275
  137    HE2  PHE  13           HE2      PHE  13  -7.139  -4.842  -3.405
  138    HZ   PHE  13           HZ       PHE  13  -9.391  -5.285  -4.345
  139   1HN   NH2  14          HN1       NH2  14 -11.426  -1.340   1.490
  140   2HN   NH2  14          HN2       NH2  14 -11.115  -0.158   2.668
  Start of MODEL   16
    1   1H    ILE   1           HT1      ILE   1   7.400   5.247   4.953
    2   2H    ILE   1           HT2      ILE   1   6.589   4.001   4.131
    3   3H    ILE   1           HT3      ILE   1   6.832   5.504   3.376
    4    HA   ILE   1           HA       ILE   1   8.977   5.059   2.827
    5    HB   ILE   1           HB       ILE   1   8.882   3.580   5.465
    6   1HG1  ILE   1          HG12      ILE   1  10.701   5.844   4.651
    7   2HG1  ILE   1          HG11      ILE   1   9.055   6.166   5.194
    8   1HG2  ILE   1          HG21      ILE   1  10.354   2.324   3.950
    9   2HG2  ILE   1          HG22      ILE   1  11.310   3.175   5.163
   10   3HG2  ILE   1          HG23      ILE   1  11.201   3.810   3.522
   11   1HD1  ILE   1          HD11      ILE   1  11.192   5.942   6.876
   12   2HD1  ILE   1          HD12      ILE   1  10.579   4.288   6.893
   13   3HD1  ILE   1          HD13      ILE   1   9.525   5.624   7.357
   14    H    LEU   2           HN       LEU   2   9.073   3.754   1.046
   15    HA   LEU   2           HA       LEU   2   8.771   1.867  -0.347
   16   1HB   LEU   2          HB2       LEU   2   9.902   1.119   2.228
   17   2HB   LEU   2          HB1       LEU   2   9.003  -0.221   1.515
   18    HG   LEU   2           HG       LEU   2  11.163   1.386   0.117
   19   1HD1  LEU   2          HD11      LEU   2  12.449  -0.730   0.256
   20   2HD1  LEU   2          HD12      LEU   2  11.144  -1.449   1.200
   21   3HD1  LEU   2          HD13      LEU   2  12.066  -0.098   1.857
   22   1HD2  LEU   2          HD21      LEU   2   9.775   0.658  -1.614
   23   2HD2  LEU   2          HD22      LEU   2   9.269  -0.786  -0.736
   24   3HD2  LEU   2          HD23      LEU   2  10.876  -0.712  -1.458
   25    H    GLY   3           HN       GLY   3   7.589  -0.606   0.120
   26   1HA   GLY   3          HA2       GLY   3   5.515  -1.542   1.117
   27   2HA   GLY   3          HA1       GLY   3   4.845   0.088   1.081
   28    H    LYS   4           HN       LYS   4   5.858  -2.611  -0.967
   29    HA   LYS   4           HA       LYS   4   4.707  -1.391  -3.387
   30   1HB   LYS   4          HB2       LYS   4   6.725  -3.129  -2.895
   31   2HB   LYS   4          HB1       LYS   4   5.428  -4.275  -3.239
   32   1HG   LYS   4          HG2       LYS   4   6.332  -1.999  -5.028
   33   2HG   LYS   4          HG1       LYS   4   6.586  -3.721  -5.317
   34   1HD   LYS   4          HD2       LYS   4   4.062  -3.993  -5.259
   35   2HD   LYS   4          HD1       LYS   4   3.950  -2.233  -5.268
   36   1HE   LYS   4          HE2       LYS   4   4.044  -2.375  -7.536
   37   2HE   LYS   4          HE1       LYS   4   5.751  -2.822  -7.338
   38   1HZ   LYS   4          HZ1       LYS   4   3.519  -4.763  -7.100
   39   2HZ   LYS   4          HZ2       LYS   4   5.181  -5.103  -7.181
   40   3HZ   LYS   4          HZ3       LYS   4   4.366  -4.504  -8.546
   41    H    ILE   5           HN       ILE   5   3.623  -3.384  -0.780
   42    HA   ILE   5           HA       ILE   5   1.118  -4.010  -2.310
   43    HB   ILE   5           HB       ILE   5   2.372  -5.641  -0.084
   44   1HG1  ILE   5          HG12      ILE   5   3.901  -5.445  -2.055
   45   2HG1  ILE   5          HG11      ILE   5   3.300  -7.087  -1.820
   46   1HG2  ILE   5          HG21      ILE   5   0.813  -7.097  -2.013
   47   2HG2  ILE   5          HG22      ILE   5  -0.126  -5.722  -1.433
   48   3HG2  ILE   5          HG23      ILE   5   0.517  -6.897  -0.286
   49   1HD1  ILE   5          HD11      ILE   5   1.910  -5.135  -3.658
   50   2HD1  ILE   5          HD12      ILE   5   1.744  -6.890  -3.603
   51   3HD1  ILE   5          HD13      ILE   5   3.228  -6.163  -4.220
   52    H    TRP   6           HN       TRP   6   2.491  -2.366   0.308
   53    HA   TRP   6           HA       TRP   6   0.010  -2.503   1.958
   54   1HB   TRP   6          HB2       TRP   6   2.841  -2.259   2.404
   55   2HB   TRP   6          HB1       TRP   6   2.036  -0.847   3.087
   56    HD1  TRP   6           HD1      TRP   6   3.192  -3.894   4.320
   57    HE1  TRP   6           HE1      TRP   6   1.716  -4.888   6.186
   58    HE3  TRP   6           HE3      TRP   6  -1.084  -1.200   3.592
   59    HZ2  TRP   6           HZ2      TRP   6  -0.929  -4.581   7.231
   60    HZ3  TRP   6           HZ3      TRP   6  -3.064  -1.570   5.035
   61    HH2  TRP   6           HH2      TRP   6  -2.992  -3.255   6.852
   62    H    LYS   7           HN       LYS   7   1.904  -0.347  -0.066
   63    HA   LYS   7           HA       LYS   7   0.580   2.107   0.760
   64   1HB   LYS   7          HB2       LYS   7   2.877   1.718  -0.353
   65   2HB   LYS   7          HB1       LYS   7   1.978   1.555  -1.863
   66   1HG   LYS   7          HG2       LYS   7   1.777   3.788  -2.036
   67   2HG   LYS   7          HG1       LYS   7   1.045   3.877  -0.434
   68   1HD   LYS   7          HD2       LYS   7   3.196   4.022   0.631
   69   2HD   LYS   7          HD1       LYS   7   4.031   3.649  -0.877
   70   1HE   LYS   7          HE2       LYS   7   3.541   5.765  -1.815
   71   2HE   LYS   7          HE1       LYS   7   2.237   6.074  -0.650
   72   1HZ   LYS   7          HZ1       LYS   7   5.148   6.145  -0.238
   73   2HZ   LYS   7          HZ2       LYS   7   4.143   5.719   1.064
   74   3HZ   LYS   7          HZ3       LYS   7   3.961   7.228   0.306
   75    HA   PRO   8           HA       PRO   8  -2.050   1.259  -3.036
   76   1HB   PRO   8          HB2       PRO   8  -2.080  -1.226  -4.172
   77   2HB   PRO   8          HB1       PRO   8  -0.917   0.033  -4.636
   78   1HG   PRO   8          HG2       PRO   8  -0.548  -2.330  -2.880
   79   2HG   PRO   8          HG1       PRO   8   0.576  -1.583  -4.025
   80   1HD   PRO   8          HD2       PRO   8   0.683  -1.236  -1.311
   81   2HD   PRO   8          HD1       PRO   8   1.338  -0.084  -2.492
   82    H    ILE   9           HN       ILE   9  -1.716  -1.624  -0.973
   83    HA   ILE   9           HA       ILE   9  -4.395  -2.553  -1.052
   84    HB   ILE   9           HB       ILE   9  -2.105  -2.614   0.899
   85   1HG1  ILE   9          HG12      ILE   9  -3.651  -4.702  -0.671
   86   2HG1  ILE   9          HG11      ILE   9  -2.040  -4.088  -1.049
   87   1HG2  ILE   9          HG21      ILE   9  -3.588  -4.322   2.176
   88   2HG2  ILE   9          HG22      ILE   9  -4.945  -3.502   1.405
   89   3HG2  ILE   9          HG23      ILE   9  -3.866  -2.606   2.474
   90   1HD1  ILE   9          HD11      ILE   9  -2.875  -6.061   0.989
   91   2HD1  ILE   9          HD12      ILE   9  -1.695  -4.873   1.542
   92   3HD1  ILE   9          HD13      ILE   9  -1.333  -5.893   0.149
   93    H    LYS  10           HN       LYS  10  -2.898   0.024   0.889
   94    HA   LYS  10           HA       LYS  10  -5.214   0.524   2.553
   95   1HB   LYS  10          HB2       LYS  10  -3.030   1.209   3.273
   96   2HB   LYS  10          HB1       LYS  10  -2.736   2.079   1.767
   97   1HG   LYS  10          HG2       LYS  10  -5.161   2.972   3.156
   98   2HG   LYS  10          HG1       LYS  10  -3.690   3.215   4.100
   99   1HD   LYS  10          HD2       LYS  10  -3.666   3.972   1.202
  100   2HD   LYS  10          HD1       LYS  10  -4.484   5.039   2.344
  101   1HE   LYS  10          HE2       LYS  10  -2.278   5.874   2.370
  102   2HE   LYS  10          HE1       LYS  10  -2.264   4.760   3.751
  103   1HZ   LYS  10          HZ1       LYS  10  -1.218   3.118   2.538
  104   2HZ   LYS  10          HZ2       LYS  10  -0.460   4.514   1.934
  105   3HZ   LYS  10          HZ3       LYS  10  -1.692   3.759   1.041
  106    H    LYS  11           HN       LYS  11  -4.329   1.405  -0.692
  107    HA   LYS  11           HA       LYS  11  -5.916   3.799  -0.954
  108   1HB   LYS  11          HB2       LYS  11  -4.013   2.825  -2.408
  109   2HB   LYS  11          HB1       LYS  11  -5.259   1.804  -3.128
  110   1HG   LYS  11          HG2       LYS  11  -5.361   3.621  -4.559
  111   2HG   LYS  11          HG1       LYS  11  -6.545   4.119  -3.349
  112   1HD   LYS  11          HD2       LYS  11  -5.069   5.635  -2.340
  113   2HD   LYS  11          HD1       LYS  11  -3.643   4.836  -3.003
  114   1HE   LYS  11          HE2       LYS  11  -3.876   5.849  -5.086
  115   2HE   LYS  11          HE1       LYS  11  -5.632   6.037  -4.909
  116   1HZ   LYS  11          HZ1       LYS  11  -4.431   8.146  -4.583
  117   2HZ   LYS  11          HZ2       LYS  11  -3.600   7.459  -3.270
  118   3HZ   LYS  11          HZ3       LYS  11  -5.284   7.672  -3.196
  119    H    LEU  12           HN       LEU  12  -6.544   0.438  -2.053
  120    HA   LEU  12           HA       LEU  12  -9.396   1.084  -2.485
  121   1HB   LEU  12          HB2       LEU  12  -7.551  -1.257  -2.967
  122   2HB   LEU  12          HB1       LEU  12  -9.295  -1.422  -3.172
  123    HG   LEU  12           HG       LEU  12  -7.490   0.550  -4.601
  124   1HD1  LEU  12          HD11      LEU  12  -9.219  -1.683  -5.701
  125   2HD1  LEU  12          HD12      LEU  12  -7.495  -1.856  -5.374
  126   3HD1  LEU  12          HD13      LEU  12  -8.050  -0.703  -6.587
  127   1HD2  LEU  12          HD21      LEU  12 -10.485   0.274  -4.410
  128   2HD2  LEU  12          HD22      LEU  12  -9.744   0.932  -5.869
  129   3HD2  LEU  12          HD23      LEU  12  -9.502   1.736  -4.318
  130    H    PHE  13           HN       PHE  13  -8.190   1.019   0.291
  131    HA   PHE  13           HA       PHE  13  -9.680  -1.298   1.459
  132   1HB   PHE  13          HB2       PHE  13  -7.142  -0.116   1.880
  133   2HB   PHE  13          HB1       PHE  13  -8.098   0.256   3.314
  134    HD1  PHE  13           HD1      PHE  13  -8.173  -2.702   1.018
  135    HD2  PHE  13           HD2      PHE  13  -7.442  -1.246   4.993
  136    HE1  PHE  13           HE1      PHE  13  -7.884  -5.031   1.818
  137    HE2  PHE  13           HE2      PHE  13  -7.153  -3.576   5.793
  138    HZ   PHE  13           HZ       PHE  13  -7.375  -5.469   4.205
  139   1HN   NH2  14          HN1       NH2  14  -9.883   0.011   4.096
  140   2HN   NH2  14          HN2       NH2  14 -11.087   1.201   3.971
  Start of MODEL   17
    1   1H    ILE   1           HT1      ILE   1  -8.220   3.723  -0.833
    2   2H    ILE   1           HT2      ILE   1  -8.735   5.302  -1.189
    3   3H    ILE   1           HT3      ILE   1  -9.514   4.405   0.025
    4    HA   ILE   1           HA       ILE   1  -6.801   5.601   0.091
    5    HB   ILE   1           HB       ILE   1  -7.762   6.793   1.945
    6   1HG1  ILE   1          HG12      ILE   1 -10.206   5.019   1.664
    7   2HG1  ILE   1          HG11      ILE   1  -8.946   4.772   2.874
    8   1HG2  ILE   1          HG21      ILE   1  -9.644   7.916   0.900
    9   2HG2  ILE   1          HG22      ILE   1  -9.939   6.529  -0.149
   10   3HG2  ILE   1          HG23      ILE   1  -8.480   7.498  -0.357
   11   1HD1  ILE   1          HD11      ILE   1  -9.386   7.292   3.454
   12   2HD1  ILE   1          HD12      ILE   1 -10.495   6.060   4.058
   13   3HD1  ILE   1          HD13      ILE   1 -10.928   7.019   2.642
   14    H    LEU   2           HN       LEU   2  -8.875   3.016   1.279
   15    HA   LEU   2           HA       LEU   2  -7.521   2.258   3.641
   16   1HB   LEU   2          HB2       LEU   2  -9.296   1.072   1.602
   17   2HB   LEU   2          HB1       LEU   2  -8.326  -0.106   2.487
   18    HG   LEU   2           HG       LEU   2  -9.732   2.065   4.007
   19   1HD1  LEU   2          HD11      LEU   2 -11.810   1.105   3.858
   20   2HD1  LEU   2          HD12      LEU   2 -11.157  -0.519   3.642
   21   3HD1  LEU   2          HD13      LEU   2 -11.206   0.599   2.280
   22   1HD2  LEU   2          HD21      LEU   2  -9.934  -0.260   5.416
   23   2HD2  LEU   2          HD22      LEU   2  -8.565   0.844   5.549
   24   3HD2  LEU   2          HD23      LEU   2  -8.460  -0.568   4.497
   25    H    GLY   3           HN       GLY   3  -6.558  -0.334   3.253
   26   1HA   GLY   3          HA2       GLY   3  -3.900   0.218   2.181
   27   2HA   GLY   3          HA1       GLY   3  -4.427  -1.301   2.903
   28    H    LYS   4           HN       LYS   4  -6.744  -0.533   0.682
   29    HA   LYS   4           HA       LYS   4  -6.343  -2.648  -1.076
   30   1HB   LYS   4          HB2       LYS   4  -7.934  -0.302  -0.861
   31   2HB   LYS   4          HB1       LYS   4  -7.317  -0.348  -2.513
   32   1HG   LYS   4          HG2       LYS   4  -9.302  -1.624  -2.622
   33   2HG   LYS   4          HG1       LYS   4  -8.028  -2.838  -2.495
   34   1HD   LYS   4          HD2       LYS   4  -8.644  -3.460  -0.382
   35   2HD   LYS   4          HD1       LYS   4  -9.108  -1.820   0.075
   36   1HE   LYS   4          HE2       LYS   4 -10.796  -3.110  -2.011
   37   2HE   LYS   4          HE1       LYS   4 -10.940  -3.760  -0.366
   38   1HZ   LYS   4          HZ1       LYS   4 -12.389  -1.951  -0.369
   39   2HZ   LYS   4          HZ2       LYS   4 -11.342  -0.980  -1.290
   40   3HZ   LYS   4          HZ3       LYS   4 -10.982  -1.318   0.336
   41    H    ILE   5           HN       ILE   5  -4.614   0.389  -0.949
   42    HA   ILE   5           HA       ILE   5  -3.060  -0.434  -3.382
   43    HB   ILE   5           HB       ILE   5  -3.656   2.359  -2.354
   44   1HG1  ILE   5          HG12      ILE   5  -4.849   1.125  -4.829
   45   2HG1  ILE   5          HG11      ILE   5  -5.610   0.869  -3.258
   46   1HG2  ILE   5          HG21      ILE   5  -3.048   2.278  -5.123
   47   2HG2  ILE   5          HG22      ILE   5  -1.831   1.294  -4.310
   48   3HG2  ILE   5          HG23      ILE   5  -2.072   2.974  -3.829
   49   1HD1  ILE   5          HD11      ILE   5  -5.982   3.079  -4.916
   50   2HD1  ILE   5          HD12      ILE   5  -4.880   3.663  -3.668
   51   3HD1  ILE   5          HD13      ILE   5  -6.437   2.968  -3.215
   52    H    TRP   6           HN       TRP   6  -2.891  -0.254  -0.099
   53    HA   TRP   6           HA       TRP   6  -0.232   1.004   0.132
   54   1HB   TRP   6          HB2       TRP   6  -2.258   1.021   1.777
   55   2HB   TRP   6          HB1       TRP   6  -1.687  -0.582   2.243
   56    HD1  TRP   6           HD1      TRP   6  -0.119  -0.511   4.228
   57    HE1  TRP   6           HE1      TRP   6   1.631   1.142   5.152
   58    HE3  TRP   6           HE3      TRP   6  -0.461   3.186   0.723
   59    HZ2  TRP   6           HZ2      TRP   6   2.739   3.695   4.491
   60    HZ3  TRP   6           HZ3      TRP   6   0.951   5.215   0.893
   61    HH2  TRP   6           HH2      TRP   6   2.550   5.474   2.771
   62    H    LYS   7           HN       LYS   7  -1.618  -2.201  -0.164
   63    HA   LYS   7           HA       LYS   7   0.374  -3.851   0.929
   64   1HB   LYS   7          HB2       LYS   7  -1.898  -4.072  -0.667
   65   2HB   LYS   7          HB1       LYS   7  -0.616  -4.734  -1.681
   66   1HG   LYS   7          HG2       LYS   7  -0.274  -5.682   1.014
   67   2HG   LYS   7          HG1       LYS   7  -1.927  -6.004   0.490
   68   1HD   LYS   7          HD2       LYS   7  -0.390  -7.860  -0.111
   69   2HD   LYS   7          HD1       LYS   7  -1.096  -7.103  -1.539
   70   1HE   LYS   7          HE2       LYS   7   0.953  -5.746  -1.841
   71   2HE   LYS   7          HE1       LYS   7   1.670  -6.525  -0.416
   72   1HZ   LYS   7          HZ1       LYS   7   1.625  -8.608  -1.437
   73   2HZ   LYS   7          HZ2       LYS   7   2.156  -7.572  -2.674
   74   3HZ   LYS   7          HZ3       LYS   7   0.544  -8.109  -2.645
   75    HA   PRO   8           HA       PRO   8   2.986  -3.176  -2.863
   76   1HB   PRO   8          HB2       PRO   8   2.203  -1.466  -4.847
   77   2HB   PRO   8          HB1       PRO   8   1.643  -3.147  -4.746
   78   1HG   PRO   8          HG2       PRO   8   0.258  -0.640  -3.949
   79   2HG   PRO   8          HG1       PRO   8  -0.394  -2.096  -4.718
   80   1HD   PRO   8          HD2       PRO   8  -0.675  -1.538  -2.065
   81   2HD   PRO   8          HD1       PRO   8  -0.660  -3.186  -2.728
   82    H    ILE   9           HN       ILE   9   1.432   0.053  -2.631
   83    HA   ILE   9           HA       ILE   9   3.666   1.695  -2.924
   84    HB   ILE   9           HB       ILE   9   1.200   1.852  -1.179
   85   1HG1  ILE   9          HG12      ILE   9   1.046   1.868  -3.710
   86   2HG1  ILE   9          HG11      ILE   9   0.384   3.303  -2.926
   87   1HG2  ILE   9          HG21      ILE   9   1.728   4.320  -1.043
   88   2HG2  ILE   9          HG22      ILE   9   3.338   3.946  -1.658
   89   3HG2  ILE   9          HG23      ILE   9   2.813   3.293  -0.106
   90   1HD1  ILE   9          HD11      ILE   9   1.819   3.877  -4.877
   91   2HD1  ILE   9          HD12      ILE   9   3.183   3.096  -4.076
   92   3HD1  ILE   9          HD13      ILE   9   2.451   4.536  -3.368
   93    H    LYS  10           HN       LYS  10   2.410   0.504   0.223
   94    HA   LYS  10           HA       LYS  10   4.683   1.414   1.736
   95   1HB   LYS  10          HB2       LYS  10   3.465   0.538   3.507
   96   2HB   LYS  10          HB1       LYS  10   2.190   0.640   2.297
   97   1HG   LYS  10          HG2       LYS  10   1.959  -1.547   3.124
   98   2HG   LYS  10          HG1       LYS  10   2.906  -1.776   1.655
   99   1HD   LYS  10          HD2       LYS  10   4.391  -2.867   2.968
  100   2HD   LYS  10          HD1       LYS  10   4.845  -1.272   3.568
  101   1HE   LYS  10          HE2       LYS  10   2.446  -2.157   4.918
  102   2HE   LYS  10          HE1       LYS  10   3.721  -3.382   5.077
  103   1HZ   LYS  10          HZ1       LYS  10   5.177  -1.886   6.014
  104   2HZ   LYS  10          HZ2       LYS  10   3.705  -1.352   6.674
  105   3HZ   LYS  10          HZ3       LYS  10   4.396  -0.532   5.356
  106    H    LYS  11           HN       LYS  11   3.904  -1.609   0.103
  107    HA   LYS  11           HA       LYS  11   5.674  -3.466   1.101
  108   1HB   LYS  11          HB2       LYS  11   4.179  -3.083  -1.199
  109   2HB   LYS  11          HB1       LYS  11   5.823  -3.220  -1.823
  110   1HG   LYS  11          HG2       LYS  11   4.724  -5.181   0.194
  111   2HG   LYS  11          HG1       LYS  11   4.506  -5.413  -1.541
  112   1HD   LYS  11          HD2       LYS  11   6.733  -5.848  -1.906
  113   2HD   LYS  11          HD1       LYS  11   7.262  -4.780  -0.605
  114   1HE   LYS  11          HE2       LYS  11   5.712  -7.192   0.219
  115   2HE   LYS  11          HE1       LYS  11   7.368  -7.462  -0.363
  116   1HZ   LYS  11          HZ1       LYS  11   6.448  -5.792   1.887
  117   2HZ   LYS  11          HZ2       LYS  11   7.906  -5.424   1.096
  118   3HZ   LYS  11          HZ3       LYS  11   7.703  -6.932   1.851
  119    H    LEU  12           HN       LEU  12   6.601  -1.178  -1.510
  120    HA   LEU  12           HA       LEU  12   9.439  -1.742  -1.172
  121   1HB   LEU  12          HB2       LEU  12   7.654  -0.009  -2.817
  122   2HB   LEU  12          HB1       LEU  12   9.343   0.481  -2.688
  123    HG   LEU  12           HG       LEU  12   8.350  -2.243  -3.578
  124   1HD1  LEU  12          HD11      LEU  12   8.823  -1.604  -5.758
  125   2HD1  LEU  12          HD12      LEU  12   9.990  -0.380  -5.256
  126   3HD1  LEU  12          HD13      LEU  12   8.261  -0.068  -5.097
  127   1HD2  LEU  12          HD21      LEU  12  11.107  -1.748  -4.161
  128   2HD2  LEU  12          HD22      LEU  12  10.423  -2.991  -3.113
  129   3HD2  LEU  12          HD23      LEU  12  10.844  -1.412  -2.450
  130    H    PHE  13           HN       PHE  13   7.202   0.323   0.417
  131    HA   PHE  13           HA       PHE  13   9.434   2.038   1.455
  132   1HB   PHE  13          HB2       PHE  13   6.776   2.530   0.436
  133   2HB   PHE  13          HB1       PHE  13   6.891   3.109   2.098
  134    HD1  PHE  13           HD1      PHE  13   9.258   4.314   2.625
  135    HD2  PHE  13           HD2      PHE  13   7.394   4.026  -1.234
  136    HE1  PHE  13           HE1      PHE  13  10.554   6.282   1.853
  137    HE2  PHE  13           HE2      PHE  13   8.690   5.994  -2.007
  138    HZ   PHE  13           HZ       PHE  13  10.270   7.122  -0.464
  139   1HN   NH2  14          HN1       NH2  14   6.201   1.545   2.883
  140   2HN   NH2  14          HN2       NH2  14   6.752   0.859   4.335
  Start of MODEL   18
    1   1H    ILE   1           HT1      ILE   1 -11.552  -2.359   4.483
    2   2H    ILE   1           HT2      ILE   1 -11.009  -1.753   5.975
    3   3H    ILE   1           HT3      ILE   1 -10.023  -2.800   5.070
    4    HA   ILE   1           HA       ILE   1 -10.865  -0.327   3.754
    5    HB   ILE   1           HB       ILE   1  -9.021  -0.574   6.142
    6   1HG1  ILE   1          HG12      ILE   1 -11.335  -0.037   6.668
    7   2HG1  ILE   1          HG11      ILE   1 -10.363   1.422   6.872
    8   1HG2  ILE   1          HG21      ILE   1  -8.805   2.032   5.363
    9   2HG2  ILE   1          HG22      ILE   1  -8.882   1.226   3.796
   10   3HG2  ILE   1          HG23      ILE   1  -7.626   0.785   4.954
   11   1HD1  ILE   1          HD11      ILE   1 -11.967   2.369   5.555
   12   2HD1  ILE   1          HD12      ILE   1 -12.466   0.819   4.877
   13   3HD1  ILE   1          HD13      ILE   1 -11.039   1.640   4.244
   14    H    LEU   2           HN       LEU   2  -9.644  -0.210   1.894
   15    HA   LEU   2           HA       LEU   2  -7.405  -2.162   1.581
   16   1HB   LEU   2          HB2       LEU   2  -9.389  -0.775  -0.190
   17   2HB   LEU   2          HB1       LEU   2  -7.866  -1.315  -0.896
   18    HG   LEU   2           HG       LEU   2  -8.845  -3.424   0.755
   19   1HD1  LEU   2          HD11      LEU   2 -11.008  -3.883  -0.276
   20   2HD1  LEU   2          HD12      LEU   2 -10.879  -2.426  -1.261
   21   3HD1  LEU   2          HD13      LEU   2 -11.058  -2.295   0.489
   22   1HD2  LEU   2          HD21      LEU   2  -8.340  -4.668  -1.111
   23   2HD2  LEU   2          HD22      LEU   2  -7.528  -3.178  -1.589
   24   3HD2  LEU   2          HD23      LEU   2  -9.140  -3.540  -2.206
   25    H    GLY   3           HN       GLY   3  -5.458  -1.383   0.420
   26   1HA   GLY   3          HA2       GLY   3  -4.941   1.515   0.953
   27   2HA   GLY   3          HA1       GLY   3  -3.699   0.268   1.043
   28    H    LYS   4           HN       LYS   4  -6.027   1.641  -1.271
   29    HA   LYS   4           HA       LYS   4  -5.081   0.669  -3.685
   30   1HB   LYS   4          HB2       LYS   4  -6.849   2.551  -2.864
   31   2HB   LYS   4          HB1       LYS   4  -5.597   3.592  -3.543
   32   1HG   LYS   4          HG2       LYS   4  -6.233   1.259  -5.218
   33   2HG   LYS   4          HG1       LYS   4  -7.583   2.374  -5.007
   34   1HD   LYS   4          HD2       LYS   4  -4.797   3.229  -5.840
   35   2HD   LYS   4          HD1       LYS   4  -6.119   2.935  -6.971
   36   1HE   LYS   4          HE2       LYS   4  -7.389   4.764  -6.142
   37   2HE   LYS   4          HE1       LYS   4  -6.415   4.871  -4.661
   38   1HZ   LYS   4          HZ1       LYS   4  -4.580   5.660  -5.825
   39   2HZ   LYS   4          HZ2       LYS   4  -5.872   6.484  -6.558
   40   3HZ   LYS   4          HZ3       LYS   4  -5.172   5.141  -7.327
   41    H    ILE   5           HN       ILE   5  -3.600   3.188  -1.683
   42    HA   ILE   5           HA       ILE   5  -1.226   3.131  -3.518
   43    HB   ILE   5           HB       ILE   5  -2.364   5.483  -1.973
   44   1HG1  ILE   5          HG12      ILE   5  -2.387   5.591  -4.904
   45   2HG1  ILE   5          HG11      ILE   5  -3.417   4.314  -4.257
   46   1HG2  ILE   5          HG21      ILE   5  -0.091   5.156  -3.940
   47   2HG2  ILE   5          HG22      ILE   5  -0.027   5.819  -2.307
   48   3HG2  ILE   5          HG23      ILE   5  -0.819   6.725  -3.596
   49   1HD1  ILE   5          HD11      ILE   5  -4.186   6.927  -4.491
   50   2HD1  ILE   5          HD12      ILE   5  -3.606   6.890  -2.826
   51   3HD1  ILE   5          HD13      ILE   5  -4.886   5.790  -3.339
   52    H    TRP   6           HN       TRP   6  -1.892   1.712  -0.887
   53    HA   TRP   6           HA       TRP   6   0.612   2.503   0.511
   54   1HB   TRP   6          HB2       TRP   6  -2.163   2.904   1.370
   55   2HB   TRP   6          HB1       TRP   6  -1.187   2.052   2.565
   56    HD1  TRP   6           HD1      TRP   6  -2.230   5.271   2.392
   57    HE1  TRP   6           HE1      TRP   6  -0.445   7.046   2.945
   58    HE3  TRP   6           HE3      TRP   6   2.006   2.490   1.755
   59    HZ2  TRP   6           HZ2      TRP   6   2.404   7.259   3.097
   60    HZ3  TRP   6           HZ3      TRP   6   4.239   3.503   2.110
   61    HH2  TRP   6           HH2      TRP   6   4.444   5.881   2.780
   62    H    LYS   7           HN       LYS   7  -2.053   0.186   0.163
   63    HA   LYS   7           HA       LYS   7  -1.071  -1.897   1.814
   64   1HB   LYS   7          HB2       LYS   7  -3.269  -2.057   0.967
   65   2HB   LYS   7          HB1       LYS   7  -2.751  -1.746  -0.687
   66   1HG   LYS   7          HG2       LYS   7  -1.409  -4.088   0.357
   67   2HG   LYS   7          HG1       LYS   7  -3.157  -4.261   0.516
   68   1HD   LYS   7          HD2       LYS   7  -2.841  -3.151  -2.015
   69   2HD   LYS   7          HD1       LYS   7  -1.506  -4.297  -1.894
   70   1HE   LYS   7          HE2       LYS   7  -4.345  -5.052  -1.142
   71   2HE   LYS   7          HE1       LYS   7  -3.698  -5.276  -2.779
   72   1HZ   LYS   7          HZ1       LYS   7  -2.264  -6.862  -2.102
   73   2HZ   LYS   7          HZ2       LYS   7  -3.378  -7.069  -0.837
   74   3HZ   LYS   7          HZ3       LYS   7  -1.980  -6.133  -0.598
   75    HA   PRO   8           HA       PRO   8   1.542  -3.330  -1.803
   76   1HB   PRO   8          HB2       PRO   8   1.788  -1.797  -4.056
   77   2HB   PRO   8          HB1       PRO   8   0.472  -2.967  -3.827
   78   1HG   PRO   8          HG2       PRO   8   0.460  -0.011  -3.461
   79   2HG   PRO   8          HG1       PRO   8  -0.772  -1.066  -4.175
   80   1HD   PRO   8          HD2       PRO   8  -0.961  -0.090  -1.657
   81   2HD   PRO   8          HD1       PRO   8  -1.637  -1.661  -2.140
   82    H    ILE   9           HN       ILE   9   1.689   0.251  -1.948
   83    HA   ILE   9           HA       ILE   9   4.465   0.583  -2.234
   84    HB   ILE   9           HB       ILE   9   2.258   2.109  -0.853
   85   1HG1  ILE   9          HG12      ILE   9   3.570   3.560  -2.907
   86   2HG1  ILE   9          HG11      ILE   9   3.375   1.911  -3.504
   87   1HG2  ILE   9          HG21      ILE   9   5.111   3.079  -1.203
   88   2HG2  ILE   9          HG22      ILE   9   4.427   2.553   0.336
   89   3HG2  ILE   9          HG23      ILE   9   3.772   3.973  -0.481
   90   1HD1  ILE   9          HD11      ILE   9   0.937   2.242  -2.432
   91   2HD1  ILE   9          HD12      ILE   9   1.305   2.728  -4.087
   92   3HD1  ILE   9          HD13      ILE   9   1.299   3.929  -2.795
   93    H    LYS  10           HN       LYS  10   2.672  -0.616   0.487
   94    HA   LYS  10           HA       LYS  10   4.536  -0.008   2.591
   95   1HB   LYS  10          HB2       LYS  10   2.162  -0.706   2.859
   96   2HB   LYS  10          HB1       LYS  10   2.582  -2.308   2.252
   97   1HG   LYS  10          HG2       LYS  10   4.067  -1.138   4.594
   98   2HG   LYS  10          HG1       LYS  10   2.509  -1.930   4.834
   99   1HD   LYS  10          HD2       LYS  10   3.913  -3.665   3.151
  100   2HD   LYS  10          HD1       LYS  10   5.116  -3.120   4.320
  101   1HE   LYS  10          HE2       LYS  10   2.393  -3.969   5.290
  102   2HE   LYS  10          HE1       LYS  10   3.629  -5.192   4.934
  103   1HZ   LYS  10          HZ1       LYS  10   4.289  -4.676   7.025
  104   2HZ   LYS  10          HZ2       LYS  10   3.608  -3.121   6.987
  105   3HZ   LYS  10          HZ3       LYS  10   5.098  -3.417   6.228
  106    H    LYS  11           HN       LYS  11   4.347  -2.580   0.187
  107    HA   LYS  11           HA       LYS  11   6.438  -4.208   1.451
  108   1HB   LYS  11          HB2       LYS  11   4.939  -4.236  -1.182
  109   2HB   LYS  11          HB1       LYS  11   6.167  -5.437  -0.778
  110   1HG   LYS  11          HG2       LYS  11   4.910  -6.283   1.038
  111   2HG   LYS  11          HG1       LYS  11   3.868  -4.861   1.089
  112   1HD   LYS  11          HD2       LYS  11   3.152  -5.542  -1.302
  113   2HD   LYS  11          HD1       LYS  11   3.876  -7.106  -0.926
  114   1HE   LYS  11          HE2       LYS  11   2.260  -7.628   0.651
  115   2HE   LYS  11          HE1       LYS  11   1.976  -5.927   1.072
  116   1HZ   LYS  11          HZ1       LYS  11   0.955  -7.473  -1.201
  117   2HZ   LYS  11          HZ2       LYS  11   1.278  -5.822  -1.440
  118   3HZ   LYS  11          HZ3       LYS  11   0.168  -6.310  -0.250
  119    H    LEU  12           HN       LEU  12   6.207  -1.784  -1.113
  120    HA   LEU  12           HA       LEU  12   8.739  -2.189  -2.359
  121   1HB   LEU  12          HB2       LEU  12   6.671  -0.079  -2.097
  122   2HB   LEU  12          HB1       LEU  12   8.273   0.491  -2.568
  123    HG   LEU  12           HG       LEU  12   7.170  -1.924  -3.948
  124   1HD1  LEU  12          HD11      LEU  12   5.940   0.732  -3.964
  125   2HD1  LEU  12          HD12      LEU  12   5.330  -0.789  -4.616
  126   3HD1  LEU  12          HD13      LEU  12   6.430   0.203  -5.573
  127   1HD2  LEU  12          HD21      LEU  12   9.286   0.065  -4.280
  128   2HD2  LEU  12          HD22      LEU  12   8.332  -0.141  -5.749
  129   3HD2  LEU  12          HD23      LEU  12   9.129  -1.531  -5.012
  130    H    PHE  13           HN       PHE  13   7.856  -0.690   0.683
  131    HA   PHE  13           HA       PHE  13  10.164   0.931   1.125
  132   1HB   PHE  13          HB2       PHE  13   7.812   0.350   2.394
  133   2HB   PHE  13          HB1       PHE  13   8.967  -0.493   3.428
  134    HD1  PHE  13           HD1      PHE  13   9.402   0.810   5.316
  135    HD2  PHE  13           HD2      PHE  13   9.190   2.695   1.462
  136    HE1  PHE  13           HE1      PHE  13  10.070   2.969   6.336
  137    HE2  PHE  13           HE2      PHE  13   9.858   4.854   2.482
  138    HZ   PHE  13           HZ       PHE  13  10.298   4.992   4.919
  139   1HN   NH2  14          HN1       NH2  14  12.023   0.371   2.629
  140   2HN   NH2  14          HN2       NH2  14  12.618  -1.219   2.654
  Start of MODEL   19
    1   1H    ILE   1           HT1      ILE   1  -9.332  -1.738  -4.332
    2   2H    ILE   1           HT2      ILE   1 -10.376  -3.059  -4.108
    3   3H    ILE   1           HT3      ILE   1  -8.976  -3.230  -5.055
    4    HA   ILE   1           HA       ILE   1  -8.960  -4.126  -2.637
    5    HB   ILE   1           HB       ILE   1  -6.513  -3.389  -2.621
    6   1HG1  ILE   1          HG12      ILE   1  -5.846  -2.208  -4.781
    7   2HG1  ILE   1          HG11      ILE   1  -7.555  -1.824  -4.997
    8   1HG2  ILE   1          HG21      ILE   1  -6.052  -4.979  -4.201
    9   2HG2  ILE   1          HG22      ILE   1  -7.098  -4.229  -5.407
   10   3HG2  ILE   1          HG23      ILE   1  -7.796  -5.234  -4.137
   11   1HD1  ILE   1          HD11      ILE   1  -7.523  -0.234  -3.377
   12   2HD1  ILE   1          HD12      ILE   1  -5.774  -0.272  -3.594
   13   3HD1  ILE   1          HD13      ILE   1  -6.523  -1.216  -2.306
   14    H    LEU   2           HN       LEU   2  -7.792  -3.234  -0.588
   15    HA   LEU   2           HA       LEU   2  -9.020  -0.590   0.100
   16   1HB   LEU   2          HB2       LEU   2  -8.120  -2.935   1.809
   17   2HB   LEU   2          HB1       LEU   2  -8.928  -1.486   2.409
   18    HG   LEU   2           HG       LEU   2 -10.140  -3.244   0.269
   19   1HD1  LEU   2          HD11      LEU   2  -9.631  -4.195   2.751
   20   2HD1  LEU   2          HD12      LEU   2 -11.071  -4.637   1.833
   21   3HD1  LEU   2          HD13      LEU   2 -11.160  -3.370   3.057
   22   1HD2  LEU   2          HD21      LEU   2 -12.232  -2.131   1.170
   23   2HD2  LEU   2          HD22      LEU   2 -11.101  -1.034   0.378
   24   3HD2  LEU   2          HD23      LEU   2 -11.181  -1.097   2.139
   25    H    GLY   3           HN       GLY   3  -7.572   0.125   2.288
   26   1HA   GLY   3          HA2       GLY   3  -5.600   1.293   2.822
   27   2HA   GLY   3          HA1       GLY   3  -4.795  -0.197   2.334
   28    H    LYS   4           HN       LYS   4  -6.121   2.831   1.047
   29    HA   LYS   4           HA       LYS   4  -4.919   2.534  -1.578
   30   1HB   LYS   4          HB2       LYS   4  -6.262   4.681   0.041
   31   2HB   LYS   4          HB1       LYS   4  -5.462   5.115  -1.470
   32   1HG   LYS   4          HG2       LYS   4  -6.907   3.813  -2.766
   33   2HG   LYS   4          HG1       LYS   4  -7.360   2.786  -1.405
   34   1HD   LYS   4          HD2       LYS   4  -9.222   4.265  -1.906
   35   2HD   LYS   4          HD1       LYS   4  -8.510   4.759  -0.370
   36   1HE   LYS   4          HE2       LYS   4  -7.218   6.080  -2.640
   37   2HE   LYS   4          HE1       LYS   4  -8.954   6.440  -2.544
   38   1HZ   LYS   4          HZ1       LYS   4  -8.645   6.843  -0.142
   39   2HZ   LYS   4          HZ2       LYS   4  -7.779   7.942  -1.106
   40   3HZ   LYS   4          HZ3       LYS   4  -6.971   6.658  -0.341
   41    H    ILE   5           HN       ILE   5  -3.494   3.018   1.395
   42    HA   ILE   5           HA       ILE   5  -1.082   4.220   0.128
   43    HB   ILE   5           HB       ILE   5  -2.528   5.224   2.601
   44   1HG1  ILE   5          HG12      ILE   5  -1.942   6.508  -0.087
   45   2HG1  ILE   5          HG11      ILE   5  -3.522   5.952   0.465
   46   1HG2  ILE   5          HG21      ILE   5   0.234   5.619   1.565
   47   2HG2  ILE   5          HG22      ILE   5  -0.364   5.675   3.223
   48   3HG2  ILE   5          HG23      ILE   5  -0.604   7.056   2.151
   49   1HD1  ILE   5          HD11      ILE   5  -3.442   7.553   2.336
   50   2HD1  ILE   5          HD12      ILE   5  -3.273   8.389   0.792
   51   3HD1  ILE   5          HD13      ILE   5  -1.854   8.105   1.801
   52    H    TRP   6           HN       TRP   6  -2.083   1.579   1.433
   53    HA   TRP   6           HA       TRP   6   0.233   1.289   3.317
   54   1HB   TRP   6          HB2       TRP   6  -1.964   1.430   4.460
   55   2HB   TRP   6          HB1       TRP   6  -2.546   0.078   3.489
   56    HD1  TRP   6           HD1      TRP   6  -2.552  -2.026   4.895
   57    HE1  TRP   6           HE1      TRP   6  -0.971  -3.107   6.621
   58    HE3  TRP   6           HE3      TRP   6   1.060   1.576   5.161
   59    HZ2  TRP   6           HZ2      TRP   6   1.497  -2.522   7.940
   60    HZ3  TRP   6           HZ3      TRP   6   3.013   1.288   6.660
   61    HH2  TRP   6           HH2      TRP   6   3.236  -0.754   8.048
   62    H    LYS   7           HN       LYS   7  -1.746  -0.108   0.770
   63    HA   LYS   7           HA       LYS   7  -0.446  -2.728   0.858
   64   1HB   LYS   7          HB2       LYS   7  -2.808  -1.754  -0.057
   65   2HB   LYS   7          HB1       LYS   7  -1.885  -1.783  -1.561
   66   1HG   LYS   7          HG2       LYS   7  -1.546  -4.102  -1.460
   67   2HG   LYS   7          HG1       LYS   7  -1.868  -4.169   0.272
   68   1HD   LYS   7          HD2       LYS   7  -4.254  -3.350  -0.374
   69   2HD   LYS   7          HD1       LYS   7  -3.828  -3.893  -1.997
   70   1HE   LYS   7          HE2       LYS   7  -4.863  -5.791  -0.983
   71   2HE   LYS   7          HE1       LYS   7  -3.124  -6.117  -0.842
   72   1HZ   LYS   7          HZ1       LYS   7  -3.459  -4.660   1.318
   73   2HZ   LYS   7          HZ2       LYS   7  -3.698  -6.342   1.332
   74   3HZ   LYS   7          HZ3       LYS   7  -5.029  -5.293   1.218
   75    HA   PRO   8           HA       PRO   8   2.037  -0.909  -2.606
   76   1HB   PRO   8          HB2       PRO   8   1.805   1.721  -3.314
   77   2HB   PRO   8          HB1       PRO   8   0.707   0.459  -3.910
   78   1HG   PRO   8          HG2       PRO   8   0.297   2.461  -1.756
   79   2HG   PRO   8          HG1       PRO   8  -0.849   1.835  -2.951
   80   1HD   PRO   8          HD2       PRO   8  -0.766   1.019  -0.344
   81   2HD   PRO   8          HD1       PRO   8  -1.384   0.022  -1.677
   82    H    ILE   9           HN       ILE   9   1.691   1.306   0.114
   83    HA   ILE   9           HA       ILE   9   4.116   2.726   0.016
   84    HB   ILE   9           HB       ILE   9   2.327   1.647   2.183
   85   1HG1  ILE   9          HG12      ILE   9   1.557   3.586   0.938
   86   2HG1  ILE   9          HG11      ILE   9   2.021   4.111   2.557
   87   1HG2  ILE   9          HG21      ILE   9   5.047   2.887   2.513
   88   2HG2  ILE   9          HG22      ILE   9   4.303   1.577   3.431
   89   3HG2  ILE   9          HG23      ILE   9   3.782   3.242   3.690
   90   1HD1  ILE   9          HD11      ILE   9   3.327   4.667  -0.061
   91   2HD1  ILE   9          HD12      ILE   9   4.390   4.429   1.327
   92   3HD1  ILE   9          HD13      ILE   9   3.168   5.701   1.360
   93    H    LYS  10           HN       LYS  10   3.676  -0.165   2.092
   94    HA   LYS  10           HA       LYS  10   6.476  -0.657   2.405
   95   1HB   LYS  10          HB2       LYS  10   4.521  -1.452   3.811
   96   2HB   LYS  10          HB1       LYS  10   4.188  -2.641   2.552
   97   1HG   LYS  10          HG2       LYS  10   6.951  -2.436   3.718
   98   2HG   LYS  10          HG1       LYS  10   5.697  -3.327   4.582
   99   1HD   LYS  10          HD2       LYS  10   5.630  -4.045   1.794
  100   2HD   LYS  10          HD1       LYS  10   7.271  -4.243   2.412
  101   1HE   LYS  10          HE2       LYS  10   6.610  -6.180   3.383
  102   2HE   LYS  10          HE1       LYS  10   5.517  -5.241   4.420
  103   1HZ   LYS  10          HZ1       LYS  10   4.962  -6.535   1.835
  104   2HZ   LYS  10          HZ2       LYS  10   4.081  -5.152   2.280
  105   3HZ   LYS  10          HZ3       LYS  10   4.036  -6.542   3.256
  106    H    LYS  11           HN       LYS  11   4.231  -1.508  -0.138
  107    HA   LYS  11           HA       LYS  11   5.727  -3.720  -1.254
  108   1HB   LYS  11          HB2       LYS  11   3.254  -2.626  -1.560
  109   2HB   LYS  11          HB1       LYS  11   4.054  -1.998  -3.000
  110   1HG   LYS  11          HG2       LYS  11   4.284  -4.073  -3.946
  111   2HG   LYS  11          HG1       LYS  11   4.506  -4.872  -2.389
  112   1HD   LYS  11          HD2       LYS  11   2.240  -5.122  -2.034
  113   2HD   LYS  11          HD1       LYS  11   1.830  -3.676  -2.958
  114   1HE   LYS  11          HE2       LYS  11   1.881  -4.799  -4.996
  115   2HE   LYS  11          HE1       LYS  11   3.034  -6.015  -4.411
  116   1HZ   LYS  11          HZ1       LYS  11   1.419  -7.157  -3.291
  117   2HZ   LYS  11          HZ2       LYS  11   0.497  -6.581  -4.597
  118   3HZ   LYS  11          HZ3       LYS  11   0.423  -5.799  -3.091
  119    H    LEU  12           HN       LEU  12   5.351  -0.337  -2.406
  120    HA   LEU  12           HA       LEU  12   7.534  -0.577  -4.309
  121   1HB   LEU  12          HB2       LEU  12   5.690   1.530  -3.246
  122   2HB   LEU  12          HB1       LEU  12   7.116   2.050  -4.145
  123    HG   LEU  12           HG       LEU  12   5.759  -0.177  -5.453
  124   1HD1  LEU  12          HD11      LEU  12   3.620   0.534  -5.513
  125   2HD1  LEU  12          HD12      LEU  12   4.122   2.176  -5.918
  126   3HD1  LEU  12          HD13      LEU  12   4.034   1.671  -4.230
  127   1HD2  LEU  12          HD21      LEU  12   5.981   1.310  -7.387
  128   2HD2  LEU  12          HD22      LEU  12   7.479   1.326  -6.456
  129   3HD2  LEU  12          HD23      LEU  12   6.346   2.671  -6.326
  130    H    PHE  13           HN       PHE  13   7.284   0.357  -0.942
  131    HA   PHE  13           HA       PHE  13  10.027   1.521  -0.974
  132   1HB   PHE  13          HB2       PHE  13   7.722   2.293   0.223
  133   2HB   PHE  13          HB1       PHE  13   8.407   1.300   1.511
  134    HD1  PHE  13           HD1      PHE  13  10.044   3.472  -1.066
  135    HD2  PHE  13           HD2      PHE  13   9.327   2.749   3.107
  136    HE1  PHE  13           HE1      PHE  13  11.607   5.306  -0.480
  137    HE2  PHE  13           HE2      PHE  13  10.890   4.583   3.693
  138    HZ   PHE  13           HZ       PHE  13  12.030   5.862   1.900
  139   1HN   NH2  14          HN1       NH2  14  11.562  -0.182  -0.857
  140   2HN   NH2  14          HN2       NH2  14  11.508  -1.440   0.281
  Start of MODEL   20
    1   1H    ILE   1           HT1      ILE   1   7.025   4.779   3.200
    2   2H    ILE   1           HT2      ILE   1   8.159   5.791   3.957
    3   3H    ILE   1           HT3      ILE   1   8.395   4.108   3.941
    4    HA   ILE   1           HA       ILE   1   8.637   6.015   1.683
    5    HB   ILE   1           HB       ILE   1  10.363   3.959   3.093
    6   1HG1  ILE   1          HG12      ILE   1  11.290   6.730   2.682
    7   2HG1  ILE   1          HG11      ILE   1   9.863   6.590   3.708
    8   1HG2  ILE   1          HG21      ILE   1  12.036   5.266   1.377
    9   2HG2  ILE   1          HG22      ILE   1  10.568   5.173   0.403
   10   3HG2  ILE   1          HG23      ILE   1  11.304   3.699   1.031
   11   1HD1  ILE   1          HD11      ILE   1  12.638   5.743   4.227
   12   2HD1  ILE   1          HD12      ILE   1  11.420   4.542   4.658
   13   3HD1  ILE   1          HD13      ILE   1  11.356   6.157   5.365
   14    H    LEU   2           HN       LEU   2   9.181   2.520   2.246
   15    HA   LEU   2           HA       LEU   2   8.378   1.904  -0.508
   16   1HB   LEU   2          HB2       LEU   2   8.960  -0.415   0.294
   17   2HB   LEU   2          HB1       LEU   2  10.248   0.762   0.543
   18    HG   LEU   2           HG       LEU   2   8.412   0.717   2.797
   19   1HD1  LEU   2          HD11      LEU   2   9.806  -1.864   2.027
   20   2HD1  LEU   2          HD12      LEU   2   8.069  -1.621   2.211
   21   3HD1  LEU   2          HD13      LEU   2   9.126  -1.538   3.621
   22   1HD2  LEU   2          HD21      LEU   2  10.462   1.651   3.304
   23   2HD2  LEU   2          HD22      LEU   2  11.339   0.567   2.224
   24   3HD2  LEU   2          HD23      LEU   2  10.793  -0.010   3.799
   25    H    GLY   3           HN       GLY   3   7.107  -0.581  -0.086
   26   1HA   GLY   3          HA2       GLY   3   5.018  -0.914   1.637
   27   2HA   GLY   3          HA1       GLY   3   4.390   0.326   0.552
   28    H    LYS   4           HN       LYS   4   5.800  -2.931   0.568
   29    HA   LYS   4           HA       LYS   4   5.033  -3.503  -2.185
   30   1HB   LYS   4          HB2       LYS   4   6.533  -4.658  -0.003
   31   2HB   LYS   4          HB1       LYS   4   5.461  -5.876  -0.696
   32   1HG   LYS   4          HG2       LYS   4   6.319  -5.305  -2.961
   33   2HG   LYS   4          HG1       LYS   4   7.442  -4.162  -2.224
   34   1HD   LYS   4          HD2       LYS   4   8.897  -5.836  -1.864
   35   2HD   LYS   4          HD1       LYS   4   7.708  -6.636  -0.835
   36   1HE   LYS   4          HE2       LYS   4   7.747  -6.882  -3.864
   37   2HE   LYS   4          HE1       LYS   4   8.457  -8.076  -2.759
   38   1HZ   LYS   4          HZ1       LYS   4   6.153  -8.632  -3.295
   39   2HZ   LYS   4          HZ2       LYS   4   5.639  -7.129  -2.692
   40   3HZ   LYS   4          HZ3       LYS   4   6.327  -8.277  -1.646
   41    H    ILE   5           HN       ILE   5   3.322  -3.405   0.771
   42    HA   ILE   5           HA       ILE   5   1.039  -4.851  -0.496
   43    HB   ILE   5           HB       ILE   5   2.319  -6.425   0.922
   44   1HG1  ILE   5          HG12      ILE   5  -0.137  -5.729   2.510
   45   2HG1  ILE   5          HG11      ILE   5  -0.308  -6.248   0.833
   46   1HG2  ILE   5          HG21      ILE   5   3.409  -5.066   2.510
   47   2HG2  ILE   5          HG22      ILE   5   2.173  -5.891   3.460
   48   3HG2  ILE   5          HG23      ILE   5   1.921  -4.224   2.944
   49   1HD1  ILE   5          HD11      ILE   5   1.548  -7.928   2.352
   50   2HD1  ILE   5          HD12      ILE   5   0.180  -8.398   1.342
   51   3HD1  ILE   5          HD13      ILE   5  -0.083  -7.935   3.024
   52    H    TRP   6           HN       TRP   6   1.791  -1.978   0.258
   53    HA   TRP   6           HA       TRP   6  -0.716  -1.392   1.778
   54   1HB   TRP   6          HB2       TRP   6   1.370  -1.393   3.212
   55   2HB   TRP   6          HB1       TRP   6   1.972  -0.063   2.222
   56    HD1  TRP   6           HD1      TRP   6   1.547   2.180   3.313
   57    HE1  TRP   6           HE1      TRP   6  -0.306   3.210   4.780
   58    HE3  TRP   6           HE3      TRP   6  -1.594  -1.827   3.712
   59    HZ2  TRP   6           HZ2      TRP   6  -2.791   2.438   5.966
   60    HZ3  TRP   6           HZ3      TRP   6  -3.695  -1.653   5.015
   61    HH2  TRP   6           HH2      TRP   6  -4.297   0.473   6.141
   62    H    LYS   7           HN       LYS   7   1.860  -0.219  -0.358
   63    HA   LYS   7           HA       LYS   7   0.985   2.355  -0.992
   64   1HB   LYS   7          HB2       LYS   7   2.524   0.182  -2.216
   65   2HB   LYS   7          HB1       LYS   7   1.771   1.234  -3.415
   66   1HG   LYS   7          HG2       LYS   7   2.691   3.149  -1.827
   67   2HG   LYS   7          HG1       LYS   7   3.829   1.892  -1.341
   68   1HD   LYS   7          HD2       LYS   7   5.035   2.440  -3.169
   69   2HD   LYS   7          HD1       LYS   7   3.753   1.694  -4.123
   70   1HE   LYS   7          HE2       LYS   7   3.873   3.866  -5.041
   71   2HE   LYS   7          HE1       LYS   7   2.570   4.036  -3.848
   72   1HZ   LYS   7          HZ1       LYS   7   5.447   4.649  -3.423
   73   2HZ   LYS   7          HZ2       LYS   7   4.263   4.684  -2.204
   74   3HZ   LYS   7          HZ3       LYS   7   4.181   5.775  -3.504
   75    HA   PRO   8           HA       PRO   8  -2.218   0.636  -3.934
   76   1HB   PRO   8          HB2       PRO   8  -2.485  -2.056  -4.340
   77   2HB   PRO   8          HB1       PRO   8  -1.305  -1.060  -5.215
   78   1HG   PRO   8          HG2       PRO   8  -0.902  -2.858  -2.881
   79   2HG   PRO   8          HG1       PRO   8   0.137  -2.583  -4.288
   80   1HD   PRO   8          HD2       PRO   8   0.596  -1.473  -1.844
   81   2HD   PRO   8          HD1       PRO   8   1.110  -0.729  -3.373
   82    H    ILE   9           HN       ILE   9  -1.937  -1.860  -1.377
   83    HA   ILE   9           HA       ILE   9  -4.645  -2.439  -0.948
   84    HB   ILE   9           HB       ILE   9  -2.218  -2.210   0.833
   85   1HG1  ILE   9          HG12      ILE   9  -2.816  -4.766   0.905
   86   2HG1  ILE   9          HG11      ILE   9  -3.787  -4.393  -0.519
   87   1HG2  ILE   9          HG21      ILE   9  -3.468  -3.232   2.653
   88   2HG2  ILE   9          HG22      ILE   9  -4.928  -3.287   1.666
   89   3HG2  ILE   9          HG23      ILE   9  -4.275  -1.734   2.188
   90   1HD1  ILE   9          HD11      ILE   9  -1.957  -4.045  -1.836
   91   2HD1  ILE   9          HD12      ILE   9  -1.142  -5.033  -0.624
   92   3HD1  ILE   9          HD13      ILE   9  -1.047  -3.274  -0.536
   93    H    LYS  10           HN       LYS  10  -2.739   0.275   0.388
   94    HA   LYS  10           HA       LYS  10  -4.767   1.408   2.038
   95   1HB   LYS  10          HB2       LYS  10  -2.410   2.034   2.130
   96   2HB   LYS  10          HB1       LYS  10  -2.470   2.626   0.470
   97   1HG   LYS  10          HG2       LYS  10  -4.315   3.753   2.569
   98   2HG   LYS  10          HG1       LYS  10  -2.669   4.362   2.395
   99   1HD   LYS  10          HD2       LYS  10  -3.747   4.199  -0.221
  100   2HD   LYS  10          HD1       LYS  10  -4.983   4.955   0.786
  101   1HE   LYS  10          HE2       LYS  10  -3.810   6.890   0.758
  102   2HE   LYS  10          HE1       LYS  10  -2.428   6.063   1.503
  103   1HZ   LYS  10          HZ1       LYS  10  -1.852   5.186  -0.703
  104   2HZ   LYS  10          HZ2       LYS  10  -1.796   6.884  -0.663
  105   3HZ   LYS  10          HZ3       LYS  10  -3.111   6.091  -1.391
  106    H    LYS  11           HN       LYS  11  -4.438   1.296  -1.407
  107    HA   LYS  11           HA       LYS  11  -6.176   3.623  -1.910
  108   1HB   LYS  11          HB2       LYS  11  -4.221   2.126  -3.271
  109   2HB   LYS  11          HB1       LYS  11  -5.727   1.802  -4.131
  110   1HG   LYS  11          HG2       LYS  11  -5.632   4.594  -3.490
  111   2HG   LYS  11          HG1       LYS  11  -4.111   4.144  -4.262
  112   1HD   LYS  11          HD2       LYS  11  -6.512   2.974  -5.519
  113   2HD   LYS  11          HD1       LYS  11  -6.410   4.732  -5.627
  114   1HE   LYS  11          HE2       LYS  11  -4.918   4.494  -7.315
  115   2HE   LYS  11          HE1       LYS  11  -3.803   3.711  -6.176
  116   1HZ   LYS  11          HZ1       LYS  11  -5.761   2.492  -7.992
  117   2HZ   LYS  11          HZ2       LYS  11  -5.446   1.720  -6.512
  118   3HZ   LYS  11          HZ3       LYS  11  -4.184   1.991  -7.617
  119    H    LEU  12           HN       LEU  12  -6.461   0.141  -1.601
  120    HA   LEU  12           HA       LEU  12  -9.060  -0.078  -2.900
  121   1HB   LEU  12          HB2       LEU  12  -7.227  -1.773  -1.232
  122   2HB   LEU  12          HB1       LEU  12  -8.885  -2.316  -1.492
  123    HG   LEU  12           HG       LEU  12  -8.083  -1.510  -4.021
  124   1HD1  LEU  12          HD11      LEU  12  -5.740  -1.383  -3.023
  125   2HD1  LEU  12          HD12      LEU  12  -5.911  -2.432  -4.431
  126   3HD1  LEU  12          HD13      LEU  12  -5.831  -3.132  -2.814
  127   1HD2  LEU  12          HD21      LEU  12  -7.721  -4.332  -3.015
  128   2HD2  LEU  12          HD22      LEU  12  -8.351  -3.792  -4.571
  129   3HD2  LEU  12          HD23      LEU  12  -9.324  -3.604  -3.112
  130    H    PHE  13           HN       PHE  13  -7.939   0.779   0.290
  131    HA   PHE  13           HA       PHE  13 -10.183   0.085   1.885
  132   1HB   PHE  13          HB2       PHE  13  -7.989   2.121   1.912
  133   2HB   PHE  13          HB1       PHE  13  -9.302   2.310   3.074
  134    HD1  PHE  13           HD1      PHE  13  -7.845  -0.833   1.680
  135    HD2  PHE  13           HD2      PHE  13  -8.349   1.665   5.138
  136    HE1  PHE  13           HE1      PHE  13  -6.846  -2.601   3.102
  137    HE2  PHE  13           HE2      PHE  13  -7.350  -0.104   6.561
  138    HZ   PHE  13           HZ       PHE  13  -6.598  -2.237   5.543
  139   1HN   NH2  14          HN1       NH2  14 -11.531   2.160   2.901
  140   2HN   NH2  14          HN2       NH2  14 -12.328   3.086   1.723