*HEADER    ANTIMICROBIAL PROTEIN                   12-MAY-18   6GIL              
*TITLE     NMR STRUCTURE OF TEMPORIN B IN SDS MICELLES                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TEMPORIN-B;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: TEMPORIN B IS AN ANTIMICROBIAL PEPTIDE DERIVED FROM   
*COMPND   6 RANA TEMPORARIA                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: RANA TEMPORARIA;                                
*SOURCE   4 ORGANISM_COMMON: EUROPEAN COMMON FROG;                               
*SOURCE   5 ORGANISM_TAXID: 8407                                                 
*KEYWDS    AMP, TEMPORIN B, ANTIMICROBIAL PROTEIN                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.MANZO,J.A.MASON                                                     
*REVDAT   1   13-JUN-18 6GIL    0                                                
# Restraints file 1: TB-noes.tab
VARS INDEX GROUP RESID_I RESNAME_I ATOMNAME_I SEGNAME_I RESID_J RESNAME_J ATOMNAME_J SEGNAME_J D_LO D_HI FC W S
FORMAT %4d %3d  %5d %6s %6s %4s  %5d %6s %6s %4s  %9.3f %9.3f %.2f %.2f %.2f

   1  1    3 PRO  HA      A    4 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   2  1    8 LEU  HA      A    9 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
   3  1   10 LYS  HA      A   12 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
   4  1    4 ILE  HA      A    5 VAL   HN     A    0.000   5.000 100.0 1.0 1.0
   5  1   11 SER  HA      A   13 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
   6  1    5 VAL  HA      A    8 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
   7  1    5 VAL  HA      A   10 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
   8  1    7 ASN  HB1     A    8 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
   8  1    7 ASN  HB2     A    8 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
   9  1   10 LYS  HB1     A   11 SER   HN     A    0.000   3.300 100.0 1.0 1.0
   9  1   10 LYS  HB2     A   11 SER   HN     A    0.000   3.300 100.0 1.0 1.0
  10  1    8 LEU  HN      A   10 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  11  1    9 LEU  HN      A    6 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  12  1    7 ASN  HN      A   10 LYS   HN     A    0.000   2.700 100.0 1.0 1.0
  13  1    9 LEU  HN      A    6 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  14  1    7 ASN  HN      A    8 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  15  1    4 ILE  HN      A    2 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  16  1    6 GLY  HN      A    2 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  17  1    4 ILE  HN      A    5 VAL   HN     A    0.000   3.300 100.0 1.0 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           HT1      LEU   1  29.492   8.300  -0.344
    2    H2   LEU   1           HT2      LEU   1  30.169   9.848  -0.165
    3    H3   LEU   1           HT3      LEU   1  30.956   8.675  -1.110
    4    HA   LEU   1           HA       LEU   1  28.941  10.521  -1.820
    5    HB2  LEU   1           HB2      LEU   1  30.835   8.600  -3.212
    6    HB3  LEU   1           HB1      LEU   1  29.630   9.526  -4.136
    7    HG   LEU   1           HG       LEU   1  30.545  11.637  -3.299
    8   HD11  LEU   1          HD11      LEU   1  32.303   9.796  -1.631
    9   HD12  LEU   1          HD12      LEU   1  31.253  11.122  -1.076
   10   HD13  LEU   1          HD13      LEU   1  32.751  11.486  -1.960
   11   HD21  LEU   1          HD21      LEU   1  32.671  11.592  -4.459
   12   HD22  LEU   1          HD22      LEU   1  31.593  10.441  -5.286
   13   HD23  LEU   1          HD23      LEU   1  32.849   9.844  -4.175
   14    H    LEU   2           HN       LEU   2  29.052   7.066  -1.315
   15    HA   LEU   2           HA       LEU   2  26.247   6.760  -1.435
   16    HB2  LEU   2           HB2      LEU   2  27.484   6.809  -4.071
   17    HB3  LEU   2           HB1      LEU   2  26.862   5.173  -3.782
   18    HG   LEU   2           HG       LEU   2  25.164   7.663  -3.296
   19   HD11  LEU   2          HD11      LEU   2  24.137   7.113  -5.539
   20   HD12  LEU   2          HD12      LEU   2  25.490   5.992  -5.824
   21   HD13  LEU   2          HD13      LEU   2  25.802   7.735  -5.639
   22   HD21  LEU   2          HD21      LEU   2  24.551   5.386  -2.286
   23   HD22  LEU   2          HD22      LEU   2  24.367   4.792  -3.952
   24   HD23  LEU   2          HD23      LEU   2  23.322   6.102  -3.353
   25    HA   PRO   3           HA       PRO   3  28.316   2.512  -1.062
   26    HB2  PRO   3           HB2      PRO   3  30.876   2.041  -1.788
   27    HB3  PRO   3           HB1      PRO   3  29.574   2.178  -3.014
   28    HG2  PRO   3           HG2      PRO   3  31.641   4.202  -2.195
   29    HG3  PRO   3           HG1      PRO   3  31.012   3.812  -3.825
   30    HD2  PRO   3           HD2      PRO   3  30.131   5.965  -2.231
   31    HD3  PRO   3           HD1      PRO   3  29.215   5.260  -3.600
   32    H    ILE   4           HN       ILE   4  31.042   4.820  -0.584
   33    HA   ILE   4           HA       ILE   4  31.698   3.608   2.024
   34    HB   ILE   4           HB       ILE   4  33.412   5.447   2.129
   35   HG12  ILE   4          HG12      ILE   4  32.295   6.146  -0.630
   36   HG13  ILE   4          HG11      ILE   4  32.102   7.137   0.834
   37   HG21  ILE   4          HG21      ILE   4  33.750   3.189   0.951
   38   HG22  ILE   4          HG22      ILE   4  34.839   4.500   0.446
   39   HG23  ILE   4          HG23      ILE   4  33.453   4.050  -0.577
   40   HD11  ILE   4           HD1      ILE   4  34.635   6.536  -0.726
   41   HD12  ILE   4           HD2      ILE   4  34.709   7.076   0.969
   42   HD13  ILE   4           HD3      ILE   4  33.959   8.114  -0.266
   43    H    VAL   5           HN       VAL   5  29.057   5.077   1.366
   44    HA   VAL   5           HA       VAL   5  27.608   6.485   2.501
   45    HB   VAL   5           HB       VAL   5  29.527   6.174   4.851
   46   HG11  VAL   5          HG11      VAL   5  27.857   7.908   5.212
   47   HG12  VAL   5          HG12      VAL   5  27.373   6.468   6.140
   48   HG13  VAL   5          HG13      VAL   5  26.563   6.849   4.601
   49   HG21  VAL   5          HG21      VAL   5  27.165   4.437   3.996
   50   HG22  VAL   5          HG22      VAL   5  28.129   4.233   5.479
   51   HG23  VAL   5          HG23      VAL   5  28.880   3.972   3.887
   52    H    GLY   6           HN       GLY   6  27.809   8.396   1.412
   53    HA2  GLY   6           HA1      GLY   6  30.078  10.163   1.814
   54    HA3  GLY   6           HA2      GLY   6  28.578  10.538   0.943
   55    H    ASN   7           HN       ASN   7  26.598  10.816   2.387
   56    HA   ASN   7           HA       ASN   7  27.247  11.920   5.081
   57    HB2  ASN   7           HB2      ASN   7  26.047  13.577   2.822
   58    HB3  ASN   7           HB1      ASN   7  26.055  14.058   4.536
   59   HD21  ASN   7          HD21      ASN   7  27.813  15.303   5.167
   60   HD22  ASN   7          HD22      ASN   7  29.372  15.320   4.336
   61    H    LEU   8           HN       LEU   8  25.170  10.640   2.665
   62    HA   LEU   8           HA       LEU   8  23.270   9.670   4.589
   63    HB2  LEU   8           HB2      LEU   8  22.638  12.162   4.417
   64    HB3  LEU   8           HB1      LEU   8  22.168  11.818   2.739
   65    HG   LEU   8           HG       LEU   8  20.752   9.843   3.828
   66   HD11  LEU   8          HD11      LEU   8  19.856  10.533   6.079
   67   HD12  LEU   8          HD12      LEU   8  21.132  11.767   6.170
   68   HD13  LEU   8          HD13      LEU   8  21.562  10.041   6.125
   69   HD21  LEU   8          HD21      LEU   8  19.957  12.777   4.101
   70   HD22  LEU   8          HD22      LEU   8  18.830  11.400   4.107
   71   HD23  LEU   8          HD23      LEU   8  19.772  11.773   2.643
   72    H    LEU   9           HN       LEU   9  24.804   8.402   2.777
   73    HA   LEU   9           HA       LEU   9  24.689   6.884   1.032
   74    HB2  LEU   9           HB2      LEU   9  21.672   7.246   1.040
   75    HB3  LEU   9           HB1      LEU   9  22.614   5.809   0.580
   76    HG   LEU   9           HG       LEU   9  22.302   6.978   3.381
   77   HD11  LEU   9          HD11      LEU   9  21.564   4.237   2.276
   78   HD12  LEU   9          HD12      LEU   9  20.418   5.594   2.389
   79   HD13  LEU   9          HD13      LEU   9  21.140   4.913   3.866
   80   HD21  LEU   9          HD21      LEU   9  23.637   4.846   3.995
   81   HD22  LEU   9          HD22      LEU   9  24.561   6.186   3.278
   82   HD23  LEU   9          HD23      LEU   9  24.108   4.784   2.279
   83    H    LYS  10           HN       LYS  10  24.847   9.812   0.591
   84    HA   LYS  10           HA       LYS  10  24.567   9.731  -2.295
   85    HB2  LYS  10           HB2      LYS  10  22.162  10.148  -1.348
   86    HB3  LYS  10           HB1      LYS  10  22.755  11.783  -0.980
   87    HG2  LYS  10           HG2      LYS  10  23.516  11.914  -3.428
   88    HG3  LYS  10           HG1      LYS  10  22.589  10.421  -3.701
   89    HD2  LYS  10           HD2      LYS  10  21.456  13.022  -2.576
   90    HD3  LYS  10           HD1      LYS  10  21.252  12.449  -4.247
   91    HE2  LYS  10           HE2      LYS  10  20.277  10.279  -3.156
   92    HE3  LYS  10           HE1      LYS  10  20.117  11.276  -1.689
   93    HZ1  LYS  10           HZ1      LYS  10  18.850  12.888  -3.002
   94    HZ2  LYS  10           HZ2      LYS  10  18.104  11.362  -2.994
   95    HZ3  LYS  10           HZ3      LYS  10  18.962  11.885  -4.365
   96    H    SER  11           HN       SER  11  25.346  11.687  -3.325
   97    HA   SER  11           HA       SER  11  27.659  12.739  -2.123
   98    HB2  SER  11           HB2      SER  11  27.453  14.565  -3.862
   99    HB3  SER  11           HB1      SER  11  27.334  12.911  -4.502
  100    HG   SER  11           HG       SER  11  25.530  14.917  -4.570
  101    H    LEU  12           HN       LEU  12  24.520  14.446  -2.562
  102    HA   LEU  12           HA       LEU  12  23.516  16.077  -1.269
  103    HB2  LEU  12           HB2      LEU  12  24.328  14.430   0.622
  104    HB3  LEU  12           HB1      LEU  12  25.556  15.672   0.939
  105    HG   LEU  12           HG       LEU  12  23.472  17.337   0.925
  106   HD11  LEU  12          HD11      LEU  12  22.184  14.640   1.562
  107   HD12  LEU  12          HD12      LEU  12  21.760  15.730   0.222
  108   HD13  LEU  12          HD13      LEU  12  21.441  16.218   1.900
  109   HD21  LEU  12          HD21      LEU  12  23.179  16.941   3.371
  110   HD22  LEU  12          HD22      LEU  12  24.893  16.911   2.890
  111   HD23  LEU  12          HD23      LEU  12  24.030  15.387   3.207
  112    H    LEU  13           HN       LEU  13  26.595  16.161  -2.457
  113    HA   LEU  13           HA       LEU  13  27.503  18.705  -1.373
  114    HB2  LEU  13           HB2      LEU  13  28.276  17.333  -3.978
  115    HB3  LEU  13           HB1      LEU  13  29.188  18.612  -3.148
  116    HG   LEU  13           HG       LEU  13  28.536  15.942  -1.824
  117   HD11  LEU  13          HD11      LEU  13  31.052  16.730  -3.357
  118   HD12  LEU  13          HD12      LEU  13  29.844  15.535  -3.889
  119   HD13  LEU  13          HD13      LEU  13  30.822  15.226  -2.434
  120   HD21  LEU  13          HD21      LEU  13  30.477  18.225  -1.247
  121   HD22  LEU  13          HD22      LEU  13  30.636  16.621  -0.497
  122   HD23  LEU  13          HD23      LEU  13  29.183  17.597  -0.201
  Start of MODEL    2
    1    H1   LEU   1           HT1      LEU   1  27.938   7.833  -0.017
    2    H2   LEU   1           HT2      LEU   1  26.486   8.597  -0.457
    3    H3   LEU   1           HT3      LEU   1  27.977   9.294  -0.876
    4    HA   LEU   1           HA       LEU   1  26.424   7.424  -2.264
    5    HB2  LEU   1           HB2      LEU   1  27.396   9.372  -3.318
    6    HB3  LEU   1           HB1      LEU   1  29.028   8.913  -2.788
    7    HG   LEU   1           HG       LEU   1  29.048   6.990  -4.272
    8   HD11  LEU   1          HD11      LEU   1  26.997   6.695  -5.844
    9   HD12  LEU   1          HD12      LEU   1  26.106   7.669  -4.651
   10   HD13  LEU   1          HD13      LEU   1  26.834   6.116  -4.172
   11   HD21  LEU   1          HD21      LEU   1  28.840   8.116  -6.455
   12   HD22  LEU   1          HD22      LEU   1  29.566   9.216  -5.259
   13   HD23  LEU   1          HD23      LEU   1  27.855   9.399  -5.713
   14    H    LEU   2           HN       LEU   2  29.875   7.404  -1.231
   15    HA   LEU   2           HA       LEU   2  30.308   4.710  -2.165
   16    HB2  LEU   2           HB2      LEU   2  31.880   6.156  -0.002
   17    HB3  LEU   2           HB1      LEU   2  32.455   4.874  -1.091
   18    HG   LEU   2           HG       LEU   2  31.536   7.645  -1.991
   19   HD11  LEU   2          HD11      LEU   2  33.893   8.140  -2.314
   20   HD12  LEU   2          HD12      LEU   2  34.351   6.486  -1.844
   21   HD13  LEU   2          HD13      LEU   2  33.666   7.597  -0.634
   22   HD21  LEU   2          HD21      LEU   2  31.206   6.121  -3.807
   23   HD22  LEU   2          HD22      LEU   2  32.688   5.214  -3.424
   24   HD23  LEU   2          HD23      LEU   2  32.796   6.850  -4.116
   25    HA   PRO   3           HA       PRO   3  28.519   2.004   0.883
   26    HB2  PRO   3           HB2      PRO   3  31.389   1.124   1.333
   27    HB3  PRO   3           HB1      PRO   3  29.904   0.124   1.208
   28    HG2  PRO   3           HG2      PRO   3  31.571   0.399  -0.876
   29    HG3  PRO   3           HG1      PRO   3  29.796   0.334  -1.103
   30    HD2  PRO   3           HD2      PRO   3  31.643   2.675  -1.385
   31    HD3  PRO   3           HD1      PRO   3  30.016   2.411  -2.095
   32    H    ILE   4           HN       ILE   4  31.538   3.720   1.712
   33    HA   ILE   4           HA       ILE   4  31.030   3.596   4.593
   34    HB   ILE   4           HB       ILE   4  32.931   5.254   4.710
   35   HG12  ILE   4          HG12      ILE   4  32.963   4.863   1.679
   36   HG13  ILE   4          HG11      ILE   4  32.443   6.350   2.502
   37   HG21  ILE   4          HG21      ILE   4  34.620   3.651   4.113
   38   HG22  ILE   4          HG22      ILE   4  33.575   2.905   2.881
   39   HG23  ILE   4          HG23      ILE   4  33.200   2.705   4.609
   40   HD11  ILE   4           HD1      ILE   4  34.783   6.290   3.654
   41   HD12  ILE   4           HD2      ILE   4  34.706   6.775   1.943
   42   HD13  ILE   4           HD3      ILE   4  35.217   5.128   2.377
   43    H    VAL   5           HN       VAL   5  28.834   4.651   3.037
   44    HA   VAL   5           HA       VAL   5  27.530   6.590   2.768
   45    HB   VAL   5           HB       VAL   5  26.999   7.566   5.144
   46   HG11  VAL   5          HG11      VAL   5  25.819   5.425   5.774
   47   HG12  VAL   5          HG12      VAL   5  26.704   4.608   4.463
   48   HG13  VAL   5          HG13      VAL   5  25.561   5.918   4.084
   49   HG21  VAL   5          HG21      VAL   5  28.699   5.148   5.916
   50   HG22  VAL   5          HG22      VAL   5  27.786   6.201   7.019
   51   HG23  VAL   5          HG23      VAL   5  29.195   6.841   6.146
   52    H    GLY   6           HN       GLY   6  28.435   8.151   1.547
   53    HA2  GLY   6           HA1      GLY   6  30.598   9.830   2.528
   54    HA3  GLY   6           HA2      GLY   6  29.653  10.072   1.044
   55    H    ASN   7           HN       ASN   7  27.093  10.205   2.091
   56    HA   ASN   7           HA       ASN   7  27.002  12.221   4.224
   57    HB2  ASN   7           HB2      ASN   7  27.649  13.562   2.186
   58    HB3  ASN   7           HB1      ASN   7  26.142  13.015   1.411
   59   HD21  ASN   7          HD21      ASN   7  27.178  14.446   4.600
   60   HD22  ASN   7          HD22      ASN   7  25.799  15.546   4.699
   61    H    LEU   8           HN       LEU   8  26.026   9.596   3.815
   62    HA   LEU   8           HA       LEU   8  24.048   8.515   4.389
   63    HB2  LEU   8           HB2      LEU   8  23.334  10.999   5.149
   64    HB3  LEU   8           HB1      LEU   8  22.293  10.895   3.716
   65    HG   LEU   8           HG       LEU   8  22.350   8.827   5.968
   66   HD11  LEU   8          HD11      LEU   8  20.147   9.822   6.586
   67   HD12  LEU   8          HD12      LEU   8  20.406  11.099   5.372
   68   HD13  LEU   8          HD13      LEU   8  21.488  10.976   6.780
   69   HD21  LEU   8          HD21      LEU   8  20.578   9.253   3.521
   70   HD22  LEU   8          HD22      LEU   8  20.147   8.174   4.869
   71   HD23  LEU   8          HD23      LEU   8  21.592   7.837   3.887
   72    H    LEU   9           HN       LEU   9  25.191   7.977   2.135
   73    HA   LEU   9           HA       LEU   9  24.825   7.163  -0.003
   74    HB2  LEU   9           HB2      LEU   9  21.845   7.556   0.460
   75    HB3  LEU   9           HB1      LEU   9  22.650   6.382  -0.604
   76    HG   LEU   9           HG       LEU   9  22.852   6.411   2.443
   77   HD11  LEU   9          HD11      LEU   9  21.407   4.433   2.351
   78   HD12  LEU   9          HD12      LEU   9  21.352   4.523   0.574
   79   HD13  LEU   9          HD13      LEU   9  20.591   5.799   1.555
   80   HD21  LEU   9          HD21      LEU   9  23.969   4.602   0.258
   81   HD22  LEU   9          HD22      LEU   9  23.781   4.046   1.940
   82   HD23  LEU   9          HD23      LEU   9  24.850   5.418   1.572
   83    H    LYS  10           HN       LYS  10  24.699  10.153   0.844
   84    HA   LYS  10           HA       LYS  10  24.689  12.153  -0.313
   85    HB2  LYS  10           HB2      LYS  10  25.749  10.593  -2.112
   86    HB3  LYS  10           HB1      LYS  10  24.159  10.662  -2.906
   87    HG2  LYS  10           HG2      LYS  10  24.287  13.134  -2.970
   88    HG3  LYS  10           HG1      LYS  10  25.869  13.076  -2.156
   89    HD2  LYS  10           HD2      LYS  10  26.754  11.703  -4.054
   90    HD3  LYS  10           HD1      LYS  10  25.188  11.888  -4.880
   91    HE2  LYS  10           HE2      LYS  10  27.192  14.061  -4.164
   92    HE3  LYS  10           HE1      LYS  10  26.612  13.596  -5.780
   93    HZ1  LYS  10           HZ1      LYS  10  24.308  14.189  -4.721
   94    HZ2  LYS  10           HZ2      LYS  10  25.309  15.406  -5.356
   95    HZ3  LYS  10           HZ3      LYS  10  25.252  15.138  -3.679
   96    H    SER  11           HN       SER  11  22.091  10.022  -0.205
   97    HA   SER  11           HA       SER  11  20.139  11.414  -1.780
   98    HB2  SER  11           HB2      SER  11  19.658   9.179  -1.050
   99    HB3  SER  11           HB1      SER  11  19.919   9.609   0.654
  100    HG   SER  11           HG       SER  11  18.093  11.238  -0.510
  101    H    LEU  12           HN       LEU  12  20.265  11.279   1.807
  102    HA   LEU  12           HA       LEU  12  19.749  12.892   3.381
  103    HB2  LEU  12           HB2      LEU  12  21.623  14.062   1.954
  104    HB3  LEU  12           HB1      LEU  12  20.292  15.052   1.320
  105    HG   LEU  12           HG       LEU  12  19.694  15.356   3.918
  106   HD11  LEU  12          HD11      LEU  12  21.402  13.793   4.772
  107   HD12  LEU  12          HD12      LEU  12  21.766  15.450   5.304
  108   HD13  LEU  12          HD13      LEU  12  22.683  14.725   3.964
  109   HD21  LEU  12          HD21      LEU  12  22.010  16.748   2.499
  110   HD22  LEU  12          HD22      LEU  12  21.224  17.357   3.975
  111   HD23  LEU  12          HD23      LEU  12  20.294  17.221   2.463
  112    H    LEU  13           HN       LEU  13  17.903  12.131   0.899
  113    HA   LEU  13           HA       LEU  13  15.738  12.646   0.225
  114    HB2  LEU  13           HB2      LEU  13  15.433  13.856   2.996
  115    HB3  LEU  13           HB1      LEU  13  14.170  13.126   1.978
  116    HG   LEU  13           HG       LEU  13  16.571  11.633   3.136
  117   HD11  LEU  13          HD11      LEU  13  13.625  11.568   3.922
  118   HD12  LEU  13          HD12      LEU  13  14.915  12.374   4.848
  119   HD13  LEU  13          HD13      LEU  13  14.932  10.604   4.651
  120   HD21  LEU  13          HD21      LEU  13  15.916  10.497   1.142
  121   HD22  LEU  13          HD22      LEU  13  14.187  10.817   1.421
  122   HD23  LEU  13          HD23      LEU  13  15.051   9.637   2.435
  Start of MODEL    3
    1    H1   LEU   1           HT1      LEU   1  29.896  12.237  -0.394
    2    H2   LEU   1           HT2      LEU   1  29.903  10.555  -0.629
    3    H3   LEU   1           HT3      LEU   1  29.297  11.583  -1.838
    4    HA   LEU   1           HA       LEU   1  31.250  11.854  -2.734
    5    HB2  LEU   1           HB2      LEU   1  31.968  12.569   0.124
    6    HB3  LEU   1           HB1      LEU   1  33.246  12.438  -1.107
    7    HG   LEU   1           HG       LEU   1  32.061  14.094  -2.519
    8   HD11  LEU   1          HD11      LEU   1  30.156  15.381  -1.384
    9   HD12  LEU   1          HD12      LEU   1  30.075  14.044  -0.212
   10   HD13  LEU   1          HD13      LEU   1  29.757  13.739  -1.937
   11   HD21  LEU   1          HD21      LEU   1  32.431  16.064  -1.051
   12   HD22  LEU   1          HD22      LEU   1  33.736  14.868  -0.869
   13   HD23  LEU   1          HD23      LEU   1  32.464  14.993   0.370
   14    H    LEU   2           HN       LEU   2  30.816   9.642  -0.086
   15    HA   LEU   2           HA       LEU   2  33.127   7.964  -1.033
   16    HB2  LEU   2           HB2      LEU   2  31.414   7.621   1.460
   17    HB3  LEU   2           HB1      LEU   2  32.957   6.821   1.094
   18    HG   LEU   2           HG       LEU   2  32.601   9.833   1.456
   19   HD11  LEU   2          HD11      LEU   2  33.883   7.799   3.329
   20   HD12  LEU   2          HD12      LEU   2  32.235   8.441   3.534
   21   HD13  LEU   2          HD13      LEU   2  33.637   9.534   3.632
   22   HD21  LEU   2          HD21      LEU   2  35.187   9.610   1.707
   23   HD22  LEU   2          HD22      LEU   2  34.512   9.496   0.068
   24   HD23  LEU   2          HD23      LEU   2  34.993   8.018   0.935
   25    HA   PRO   3           HA       PRO   3  30.210   5.211  -2.956
   26    HB2  PRO   3           HB2      PRO   3  31.548   2.796  -2.831
   27    HB3  PRO   3           HB1      PRO   3  32.009   4.114  -3.956
   28    HG2  PRO   3           HG2      PRO   3  33.197   3.391  -1.285
   29    HG3  PRO   3           HG1      PRO   3  34.021   3.825  -2.816
   30    HD2  PRO   3           HD2      PRO   3  33.680   5.635  -0.797
   31    HD3  PRO   3           HD1      PRO   3  33.646   6.123  -2.523
   32    H    ILE   4           HN       ILE   4  31.448   4.695   0.261
   33    HA   ILE   4           HA       ILE   4  29.464   2.611   0.940
   34    HB   ILE   4           HB       ILE   4  31.175   4.198   2.902
   35   HG12  ILE   4          HG12      ILE   4  31.962   1.786   1.203
   36   HG13  ILE   4          HG11      ILE   4  32.672   3.414   1.116
   37   HG21  ILE   4          HG21      ILE   4  30.916   2.295   4.314
   38   HG22  ILE   4          HG22      ILE   4  30.358   1.266   2.972
   39   HG23  ILE   4          HG23      ILE   4  29.304   2.548   3.609
   40   HD11  ILE   4           HD1      ILE   4  34.194   2.166   2.455
   41   HD12  ILE   4           HD2      ILE   4  32.882   1.385   3.367
   42   HD13  ILE   4           HD3      ILE   4  33.242   3.110   3.626
   43    H    VAL   5           HN       VAL   5  30.235   5.753   2.504
   44    HA   VAL   5           HA       VAL   5  27.438   6.653   2.267
   45    HB   VAL   5           HB       VAL   5  28.628   5.945   4.998
   46   HG11  VAL   5          HG11      VAL   5  26.402   6.933   5.837
   47   HG12  VAL   5          HG12      VAL   5  26.228   7.661   4.224
   48   HG13  VAL   5          HG13      VAL   5  27.601   8.110   5.262
   49   HG21  VAL   5          HG21      VAL   5  26.172   5.031   3.432
   50   HG22  VAL   5          HG22      VAL   5  26.381   4.716   5.170
   51   HG23  VAL   5          HG23      VAL   5  27.530   4.038   4.005
   52    H    GLY   6           HN       GLY   6  28.047   8.539   1.333
   53    HA2  GLY   6           HA1      GLY   6  30.357  10.042   2.191
   54    HA3  GLY   6           HA2      GLY   6  29.065  10.610   1.115
   55    H    ASN   7           HN       ASN   7  26.833  10.666   2.519
   56    HA   ASN   7           HA       ASN   7  27.344  11.932   5.168
   57    HB2  ASN   7           HB2      ASN   7  26.035  13.405   2.843
   58    HB3  ASN   7           HB1      ASN   7  26.071  13.969   4.530
   59   HD21  ASN   7          HD21      ASN   7  27.722  14.148   1.552
   60   HD22  ASN   7          HD22      ASN   7  29.277  14.710   2.173
   61    H    LEU   8           HN       LEU   8  25.229  10.722   2.644
   62    HA   LEU   8           HA       LEU   8  23.465   9.501   4.568
   63    HB2  LEU   8           HB2      LEU   8  22.848  12.124   4.378
   64    HB3  LEU   8           HB1      LEU   8  21.975  11.571   2.935
   65    HG   LEU   8           HG       LEU   8  21.631  10.364   5.725
   66   HD11  LEU   8          HD11      LEU   8  19.837  12.306   4.204
   67   HD12  LEU   8          HD12      LEU   8  20.883  12.748   5.574
   68   HD13  LEU   8          HD13      LEU   8  19.530  11.618   5.816
   69   HD21  LEU   8          HD21      LEU   8  19.537   9.442   4.650
   70   HD22  LEU   8          HD22      LEU   8  21.040   8.795   3.950
   71   HD23  LEU   8          HD23      LEU   8  20.124  10.057   3.088
   72    H    LEU   9           HN       LEU   9  24.991   8.493   2.580
   73    HA   LEU   9           HA       LEU   9  24.819   7.007   0.816
   74    HB2  LEU   9           HB2      LEU   9  22.404   6.745   2.063
   75    HB3  LEU   9           HB1      LEU   9  21.840   7.337   0.488
   76    HG   LEU   9           HG       LEU   9  23.686   4.937   0.915
   77   HD11  LEU   9          HD11      LEU   9  21.348   4.577   1.706
   78   HD12  LEU   9          HD12      LEU   9  21.728   3.596   0.269
   79   HD13  LEU   9          HD13      LEU   9  20.747   5.073   0.106
   80   HD21  LEU   9          HD21      LEU   9  22.322   6.076  -1.569
   81   HD22  LEU   9          HD22      LEU   9  23.196   4.527  -1.506
   82   HD23  LEU   9          HD23      LEU   9  24.073   6.053  -1.243
   83    H    LYS  10           HN       LYS  10  25.269   9.826   0.483
   84    HA   LYS  10           HA       LYS  10  25.338  11.426  -1.192
   85    HB2  LYS  10           HB2      LYS  10  26.302   9.319  -2.317
   86    HB3  LYS  10           HB1      LYS  10  24.729   9.168  -3.134
   87    HG2  LYS  10           HG2      LYS  10  25.083  11.657  -3.841
   88    HG3  LYS  10           HG1      LYS  10  26.775  11.411  -3.351
   89    HD2  LYS  10           HD2      LYS  10  25.262   9.736  -5.405
   90    HD3  LYS  10           HD1      LYS  10  26.471  10.986  -5.776
   91    HE2  LYS  10           HE2      LYS  10  28.090   9.632  -4.281
   92    HE3  LYS  10           HE1      LYS  10  26.891   8.319  -4.379
   93    HZ1  LYS  10           HZ1      LYS  10  27.697   7.800  -6.359
   94    HZ2  LYS  10           HZ2      LYS  10  28.822   9.070  -6.275
   95    HZ3  LYS  10           HZ3      LYS  10  27.289   9.334  -6.957
   96    H    SER  11           HN       SER  11  23.581  10.382  -3.767
   97    HA   SER  11           HA       SER  11  21.522  11.014  -4.616
   98    HB2  SER  11           HB2      SER  11  20.805   9.370  -2.804
   99    HB3  SER  11           HB1      SER  11  20.485  10.779  -1.768
  100    HG   SER  11           HG       SER  11  19.101  11.541  -3.476
  101    H    LEU  12           HN       LEU  12  22.945  13.136  -4.573
  102    HA   LEU  12           HA       LEU  12  22.915  15.445  -4.415
  103    HB2  LEU  12           HB2      LEU  12  19.991  15.188  -3.626
  104    HB3  LEU  12           HB1      LEU  12  20.792  16.558  -4.425
  105    HG   LEU  12           HG       LEU  12  20.388  13.769  -5.595
  106   HD11  LEU  12          HD11      LEU  12  18.338  15.148  -5.517
  107   HD12  LEU  12          HD12      LEU  12  18.913  14.976  -7.192
  108   HD13  LEU  12          HD13      LEU  12  19.200  16.491  -6.302
  109   HD21  LEU  12          HD21      LEU  12  21.897  16.230  -6.565
  110   HD22  LEU  12          HD22      LEU  12  21.230  15.048  -7.718
  111   HD23  LEU  12          HD23      LEU  12  22.440  14.535  -6.521
  112    H    LEU  13           HN       LEU  13  20.412  14.826  -1.923
  113    HA   LEU  13           HA       LEU  13  21.888  16.518  -0.035
  114    HB2  LEU  13           HB2      LEU  13  19.490  14.786   0.643
  115    HB3  LEU  13           HB1      LEU  13  19.972  16.354   1.337
  116    HG   LEU  13           HG       LEU  13  18.921  15.849  -1.482
  117   HD11  LEU  13          HD11      LEU  13  17.020  17.192  -0.748
  118   HD12  LEU  13          HD12      LEU  13  17.798  17.502   0.822
  119   HD13  LEU  13          HD13      LEU  13  17.255  15.858   0.407
  120   HD21  LEU  13          HD21      LEU  13  20.061  18.337  -0.139
  121   HD22  LEU  13          HD22      LEU  13  18.996  18.422  -1.565
  122   HD23  LEU  13          HD23      LEU  13  20.566  17.592  -1.674
  Start of MODEL    4
    1    H1   LEU   1           HT1      LEU   1  28.473  10.117   6.894
    2    H2   LEU   1           HT2      LEU   1  29.182   9.310   5.578
    3    H3   LEU   1           HT3      LEU   1  28.654  10.918   5.412
    4    HA   LEU   1           HA       LEU   1  30.788  11.378   5.720
    5    HB2  LEU   1           HB2      LEU   1  30.193  10.744   8.629
    6    HB3  LEU   1           HB1      LEU   1  31.184  12.061   7.957
    7    HG   LEU   1           HG       LEU   1  28.156  11.768   7.698
    8   HD11  LEU   1          HD11      LEU   1  29.873  13.806   9.185
    9   HD12  LEU   1          HD12      LEU   1  28.993  12.461   9.948
   10   HD13  LEU   1          HD13      LEU   1  28.095  13.762   9.133
   11   HD21  LEU   1          HD21      LEU   1  28.428  14.159   6.754
   12   HD22  LEU   1          HD22      LEU   1  28.926  12.826   5.691
   13   HD23  LEU   1          HD23      LEU   1  30.155  13.772   6.567
   14    H    LEU   2           HN       LEU   2  29.947   8.248   5.924
   15    HA   LEU   2           HA       LEU   2  32.600   7.323   7.003
   16    HB2  LEU   2           HB2      LEU   2  30.216   5.573   6.308
   17    HB3  LEU   2           HB1      LEU   2  31.585   5.207   7.381
   18    HG   LEU   2           HG       LEU   2  29.412   7.291   7.884
   19   HD11  LEU   2          HD11      LEU   2  28.684   5.792   9.654
   20   HD12  LEU   2          HD12      LEU   2  30.063   4.705   9.361
   21   HD13  LEU   2          HD13      LEU   2  28.775   4.860   8.142
   22   HD21  LEU   2          HD21      LEU   2  31.425   8.136   8.876
   23   HD22  LEU   2          HD22      LEU   2  31.941   6.514   9.399
   24   HD23  LEU   2          HD23      LEU   2  30.567   7.315  10.199
   25    HA   PRO   3           HA       PRO   3  34.413   6.351   3.054
   26    HB2  PRO   3           HB2      PRO   3  34.354   3.493   4.077
   27    HB3  PRO   3           HB1      PRO   3  35.663   4.356   3.205
   28    HG2  PRO   3           HG2      PRO   3  35.744   4.047   5.866
   29    HG3  PRO   3           HG1      PRO   3  36.307   5.557   5.086
   30    HD2  PRO   3           HD2      PRO   3  33.841   5.092   6.721
   31    HD3  PRO   3           HD1      PRO   3  34.722   6.620   6.393
   32    H    ILE   4           HN       ILE   4  31.979   4.001   4.260
   33    HA   ILE   4           HA       ILE   4  31.163   3.042   1.694
   34    HB   ILE   4           HB       ILE   4  29.342   3.321   4.123
   35   HG12  ILE   4          HG12      ILE   4  31.459   1.209   3.503
   36   HG13  ILE   4          HG11      ILE   4  31.482   2.357   4.860
   37   HG21  ILE   4          HG21      ILE   4  28.463   2.536   1.833
   38   HG22  ILE   4          HG22      ILE   4  28.193   1.432   3.198
   39   HG23  ILE   4          HG23      ILE   4  29.502   1.106   2.038
   40   HD11  ILE   4           HD1      ILE   4  29.180   1.321   5.514
   41   HD12  ILE   4           HD2      ILE   4  30.644   0.356   5.821
   42   HD13  ILE   4           HD3      ILE   4  29.626  -0.002   4.408
   43    H    VAL   5           HN       VAL   5  29.139   5.112   3.819
   44    HA   VAL   5           HA       VAL   5  27.729   6.176   1.492
   45    HB   VAL   5           HB       VAL   5  26.628   7.670   3.242
   46   HG11  VAL   5          HG11      VAL   5  25.724   5.458   2.546
   47   HG12  VAL   5          HG12      VAL   5  25.378   5.814   4.255
   48   HG13  VAL   5          HG13      VAL   5  26.681   4.678   3.826
   49   HG21  VAL   5          HG21      VAL   5  27.123   7.342   5.567
   50   HG22  VAL   5          HG22      VAL   5  28.707   7.538   4.784
   51   HG23  VAL   5          HG23      VAL   5  28.134   5.917   5.232
   52    H    GLY   6           HN       GLY   6  27.904   8.837   3.399
   53    HA2  GLY   6           HA1      GLY   6  30.376  10.037   3.127
   54    HA3  GLY   6           HA2      GLY   6  29.671  10.199   1.504
   55    H    ASN   7           HN       ASN   7  26.933  10.264   2.711
   56    HA   ASN   7           HA       ASN   7  26.735  12.559   4.435
   57    HB2  ASN   7           HB2      ASN   7  27.573  13.730   2.391
   58    HB3  ASN   7           HB1      ASN   7  26.184  13.087   1.483
   59   HD21  ASN   7          HD21      ASN   7  26.060  15.714   1.370
   60   HD22  ASN   7          HD22      ASN   7  24.989  16.412   2.589
   61    H    LEU   8           HN       LEU   8  25.718   9.911   4.138
   62    HA   LEU   8           HA       LEU   8  23.671   8.940   4.664
   63    HB2  LEU   8           HB2      LEU   8  22.933  11.434   5.205
   64    HB3  LEU   8           HB1      LEU   8  22.086  11.320   3.649
   65    HG   LEU   8           HG       LEU   8  21.164   9.024   4.626
   66   HD11  LEU   8          HD11      LEU   8  20.801   9.204   7.114
   67   HD12  LEU   8          HD12      LEU   8  21.949  10.561   7.147
   68   HD13  LEU   8          HD13      LEU   8  22.501   8.937   6.672
   69   HD21  LEU   8          HD21      LEU   8  20.207  11.732   5.664
   70   HD22  LEU   8          HD22      LEU   8  19.239  10.238   5.612
   71   HD23  LEU   8          HD23      LEU   8  19.774  11.005   4.098
   72    H    LEU   9           HN       LEU   9  24.802   7.951   2.698
   73    HA   LEU   9           HA       LEU   9  24.527   6.858   0.676
   74    HB2  LEU   9           HB2      LEU   9  21.624   7.783   0.772
   75    HB3  LEU   9           HB1      LEU   9  22.287   6.460  -0.204
   76    HG   LEU   9           HG       LEU   9  22.627   6.397   2.820
   77   HD11  LEU   9          HD11      LEU   9  20.230   6.801   2.496
   78   HD12  LEU   9          HD12      LEU   9  20.495   5.103   2.958
   79   HD13  LEU   9          HD13      LEU   9  20.155   5.522   1.262
   80   HD21  LEU   9          HD21      LEU   9  23.808   4.734   1.374
   81   HD22  LEU   9          HD22      LEU   9  22.242   4.232   0.698
   82   HD23  LEU   9          HD23      LEU   9  22.596   3.960   2.420
   83    H    LYS  10           HN       LYS  10  25.248   9.711   0.876
   84    HA   LYS  10           HA       LYS  10  25.635  11.497  -0.551
   85    HB2  LYS  10           HB2      LYS  10  25.073   9.426  -2.710
   86    HB3  LYS  10           HB1      LYS  10  25.940  10.966  -2.925
   87    HG2  LYS  10           HG2      LYS  10  27.703  10.245  -1.398
   88    HG3  LYS  10           HG1      LYS  10  26.808   8.754  -1.015
   89    HD2  LYS  10           HD2      LYS  10  27.060   7.930  -3.275
   90    HD3  LYS  10           HD1      LYS  10  27.717   9.488  -3.828
   91    HE2  LYS  10           HE2      LYS  10  29.715   9.201  -2.479
   92    HE3  LYS  10           HE1      LYS  10  29.036   7.754  -1.696
   93    HZ1  LYS  10           HZ1      LYS  10  28.849   7.181  -4.341
   94    HZ2  LYS  10           HZ2      LYS  10  30.084   6.646  -3.304
   95    HZ3  LYS  10           HZ3      LYS  10  30.315   8.029  -4.262
   96    H    SER  11           HN       SER  11  24.710  12.822  -2.429
   97    HA   SER  11           HA       SER  11  21.888  12.446  -3.046
   98    HB2  SER  11           HB2      SER  11  21.047  14.431  -1.854
   99    HB3  SER  11           HB1      SER  11  21.679  13.227  -0.709
  100    HG   SER  11           HG       SER  11  23.747  14.592  -1.178
  101    H    LEU  12           HN       LEU  12  24.944  13.872  -3.372
  102    HA   LEU  12           HA       LEU  12  24.083  16.139  -5.044
  103    HB2  LEU  12           HB2      LEU  12  26.889  14.992  -4.895
  104    HB3  LEU  12           HB1      LEU  12  26.384  16.671  -5.202
  105    HG   LEU  12           HG       LEU  12  26.125  15.137  -2.577
  106   HD11  LEU  12          HD11      LEU  12  27.729  17.618  -3.340
  107   HD12  LEU  12          HD12      LEU  12  28.403  15.980  -3.163
  108   HD13  LEU  12          HD13      LEU  12  27.715  16.817  -1.751
  109   HD21  LEU  12          HD21      LEU  12  24.189  16.552  -2.722
  110   HD22  LEU  12          HD22      LEU  12  25.122  17.878  -3.458
  111   HD23  LEU  12          HD23      LEU  12  25.368  17.459  -1.745
  112    H    LEU  13           HN       LEU  13  25.515  12.897  -5.513
  113    HA   LEU  13           HA       LEU  13  25.781  11.634  -7.445
  114    HB2  LEU  13           HB2      LEU  13  23.231  13.184  -8.006
  115    HB3  LEU  13           HB1      LEU  13  23.885  12.046  -9.207
  116    HG   LEU  13           HG       LEU  13  23.862  10.244  -7.475
  117   HD11  LEU  13          HD11      LEU  13  22.678  12.489  -5.795
  118   HD12  LEU  13          HD12      LEU  13  24.063  11.437  -5.413
  119   HD13  LEU  13          HD13      LEU  13  22.414  10.773  -5.403
  120   HD21  LEU  13          HD21      LEU  13  21.195  11.684  -7.837
  121   HD22  LEU  13          HD22      LEU  13  21.409   9.961  -7.442
  122   HD23  LEU  13          HD23      LEU  13  21.942  10.585  -9.021
  Start of MODEL    5
    1    H1   LEU   1           HT1      LEU   1  27.460   7.219  -1.067
    2    H2   LEU   1           HT2      LEU   1  26.169   8.107  -1.724
    3    H3   LEU   1           HT3      LEU   1  27.538   8.912  -1.121
    4    HA   LEU   1           HA       LEU   1  27.118   7.536  -3.627
    5    HB2  LEU   1           HB2      LEU   1  27.234   9.961  -3.583
    6    HB3  LEU   1           HB1      LEU   1  28.751   9.919  -2.660
    7    HG   LEU   1           HG       LEU   1  29.944   8.942  -4.557
    8   HD11  LEU   1          HD11      LEU   1  28.598   8.772  -6.789
    9   HD12  LEU   1          HD12      LEU   1  27.153   8.739  -5.750
   10   HD13  LEU   1          HD13      LEU   1  28.393   7.471  -5.596
   11   HD21  LEU   1          HD21      LEU   1  28.154  11.196  -5.564
   12   HD22  LEU   1          HD22      LEU   1  29.805  10.809  -6.108
   13   HD23  LEU   1          HD23      LEU   1  29.532  11.433  -4.463
   14    H    LEU   2           HN       LEU   2  29.648   8.065  -1.152
   15    HA   LEU   2           HA       LEU   2  31.697   6.649  -2.609
   16    HB2  LEU   2           HB2      LEU   2  31.315   7.466   0.289
   17    HB3  LEU   2           HB1      LEU   2  32.721   6.500  -0.210
   18    HG   LEU   2           HG       LEU   2  33.386   8.231  -1.819
   19   HD11  LEU   2          HD11      LEU   2  32.092  10.477  -1.658
   20   HD12  LEU   2          HD12      LEU   2  30.779   9.523  -0.926
   21   HD13  LEU   2          HD13      LEU   2  31.329   9.163  -2.580
   22   HD21  LEU   2          HD21      LEU   2  34.080   8.385   0.600
   23   HD22  LEU   2          HD22      LEU   2  32.709   9.486   0.879
   24   HD23  LEU   2          HD23      LEU   2  34.024   9.964  -0.220
   25    HA   PRO   3           HA       PRO   3  30.859   2.302  -2.195
   26    HB2  PRO   3           HB2      PRO   3  33.368   2.254  -0.487
   27    HB3  PRO   3           HB1      PRO   3  32.849   1.113  -1.770
   28    HG2  PRO   3           HG2      PRO   3  34.670   3.023  -2.260
   29    HG3  PRO   3           HG1      PRO   3  33.448   2.558  -3.486
   30    HD2  PRO   3           HD2      PRO   3  33.619   5.069  -1.864
   31    HD3  PRO   3           HD1      PRO   3  32.787   4.772  -3.426
   32    H    ILE   4           HN       ILE   4  31.870   4.125   0.685
   33    HA   ILE   4           HA       ILE   4  30.302   2.310   2.470
   34    HB   ILE   4           HB       ILE   4  31.301   4.054   4.224
   35   HG12  ILE   4          HG12      ILE   4  33.303   4.360   1.936
   36   HG13  ILE   4          HG11      ILE   4  32.037   5.565   2.242
   37   HG21  ILE   4          HG21      ILE   4  33.348   2.706   4.388
   38   HG22  ILE   4          HG22      ILE   4  33.133   2.129   2.720
   39   HG23  ILE   4          HG23      ILE   4  31.975   1.654   3.984
   40   HD11  ILE   4           HD1      ILE   4  33.920   6.393   3.422
   41   HD12  ILE   4           HD2      ILE   4  34.371   4.781   4.021
   42   HD13  ILE   4           HD3      ILE   4  32.946   5.613   4.687
   43    H    VAL   5           HN       VAL   5  30.662   5.641   3.357
   44    HA   VAL   5           HA       VAL   5  27.914   6.350   2.440
   45    HB   VAL   5           HB       VAL   5  28.709   6.569   5.376
   46   HG11  VAL   5          HG11      VAL   5  26.074   6.920   3.875
   47   HG12  VAL   5          HG12      VAL   5  27.069   8.228   4.561
   48   HG13  VAL   5          HG13      VAL   5  26.282   7.049   5.639
   49   HG21  VAL   5          HG21      VAL   5  27.020   4.497   3.908
   50   HG22  VAL   5          HG22      VAL   5  26.964   4.740   5.671
   51   HG23  VAL   5          HG23      VAL   5  28.473   4.207   4.895
   52    H    GLY   6           HN       GLY   6  28.001   8.319   1.609
   53    HA2  GLY   6           HA1      GLY   6  30.318  10.050   2.179
   54    HA3  GLY   6           HA2      GLY   6  29.007  10.357   1.021
   55    H    ASN   7           HN       ASN   7  26.801  10.701   2.090
   56    HA   ASN   7           HA       ASN   7  26.978  12.088   4.718
   57    HB2  ASN   7           HB2      ASN   7  26.042  13.467   2.166
   58    HB3  ASN   7           HB1      ASN   7  25.892  14.124   3.812
   59   HD21  ASN   7          HD21      ASN   7  27.609  15.387   4.540
   60   HD22  ASN   7          HD22      ASN   7  29.223  15.372   3.821
   61    H    LEU   8           HN       LEU   8  25.837   9.644   3.831
   62    HA   LEU   8           HA       LEU   8  23.878   8.569   4.560
   63    HB2  LEU   8           HB2      LEU   8  23.152  10.898   5.576
   64    HB3  LEU   8           HB1      LEU   8  22.177  11.038   4.097
   65    HG   LEU   8           HG       LEU   8  21.373   8.574   4.741
   66   HD11  LEU   8          HD11      LEU   8  21.217   8.308   7.228
   67   HD12  LEU   8          HD12      LEU   8  22.283   9.719   7.424
   68   HD13  LEU   8          HD13      LEU   8  22.895   8.242   6.645
   69   HD21  LEU   8          HD21      LEU   8  19.518   9.568   6.082
   70   HD22  LEU   8          HD22      LEU   8  19.890  10.539   4.636
   71   HD23  LEU   8          HD23      LEU   8  20.456  11.073   6.238
   72    H    LEU   9           HN       LEU   9  24.803   7.939   2.332
   73    HA   LEU   9           HA       LEU   9  24.313   7.207   0.189
   74    HB2  LEU   9           HB2      LEU   9  21.401   7.876   0.749
   75    HB3  LEU   9           HB1      LEU   9  22.060   6.621  -0.327
   76    HG   LEU   9           HG       LEU   9  22.244   6.679   2.719
   77   HD11  LEU   9          HD11      LEU   9  20.779   4.743   2.619
   78   HD12  LEU   9          HD12      LEU   9  20.858   4.718   0.841
   79   HD13  LEU   9          HD13      LEU   9  20.029   6.053   1.678
   80   HD21  LEU   9          HD21      LEU   9  23.193   4.303   2.283
   81   HD22  LEU   9          HD22      LEU   9  24.279   5.674   1.970
   82   HD23  LEU   9          HD23      LEU   9  23.472   4.851   0.613
   83    H    LYS  10           HN       LYS  10  25.039   9.946   0.642
   84    HA   LYS  10           HA       LYS  10  23.593  11.953  -0.563
   85    HB2  LYS  10           HB2      LYS  10  26.008  11.991   0.315
   86    HB3  LYS  10           HB1      LYS  10  26.498  11.450  -1.305
   87    HG2  LYS  10           HG2      LYS  10  25.509  13.432  -2.328
   88    HG3  LYS  10           HG1      LYS  10  24.827  13.947  -0.766
   89    HD2  LYS  10           HD2      LYS  10  27.128  14.139   0.160
   90    HD3  LYS  10           HD1      LYS  10  27.793  13.670  -1.424
   91    HE2  LYS  10           HE2      LYS  10  26.161  16.156  -0.763
   92    HE3  LYS  10           HE1      LYS  10  27.852  16.084  -1.317
   93    HZ1  LYS  10           HZ1      LYS  10  25.391  15.872  -2.834
   94    HZ2  LYS  10           HZ2      LYS  10  26.570  14.722  -3.248
   95    HZ3  LYS  10           HZ3      LYS  10  26.932  16.380  -3.326
   96    H    SER  11           HN       SER  11  23.620  12.916  -2.721
   97    HA   SER  11           HA       SER  11  23.416  12.832  -5.031
   98    HB2  SER  11           HB2      SER  11  25.567  11.312  -4.759
   99    HB3  SER  11           HB1      SER  11  24.451   9.996  -5.189
  100    HG   SER  11           HG       SER  11  25.280  10.840  -7.074
  101    H    LEU  12           HN       LEU  12  22.911   9.434  -3.952
  102    HA   LEU  12           HA       LEU  12  20.441   9.264  -5.527
  103    HB2  LEU  12           HB2      LEU  12  21.376   7.295  -3.410
  104    HB3  LEU  12           HB1      LEU  12  20.386   6.985  -4.856
  105    HG   LEU  12           HG       LEU  12  23.324   7.808  -4.825
  106   HD11  LEU  12          HD11      LEU  12  23.655   5.538  -5.796
  107   HD12  LEU  12          HD12      LEU  12  21.916   5.216  -5.601
  108   HD13  LEU  12          HD13      LEU  12  22.942   5.464  -4.169
  109   HD21  LEU  12          HD21      LEU  12  22.365   8.784  -6.790
  110   HD22  LEU  12          HD22      LEU  12  21.312   7.376  -7.074
  111   HD23  LEU  12          HD23      LEU  12  23.069   7.247  -7.341
  112    H    LEU  13           HN       LEU  13  20.953  11.069  -2.973
  113    HA   LEU  13           HA       LEU  13  19.706  11.763  -1.135
  114    HB2  LEU  13           HB2      LEU  13  17.282  10.755  -2.664
  115    HB3  LEU  13           HB1      LEU  13  17.407  12.162  -1.582
  116    HG   LEU  13           HG       LEU  13  18.733  11.846  -4.311
  117   HD11  LEU  13          HD11      LEU  13  17.245  13.691  -4.956
  118   HD12  LEU  13          HD12      LEU  13  16.593  13.772  -3.302
  119   HD13  LEU  13          HD13      LEU  13  16.281  12.340  -4.313
  120   HD21  LEU  13          HD21      LEU  13  19.318  14.328  -3.854
  121   HD22  LEU  13          HD22      LEU  13  20.270  13.107  -2.981
  122   HD23  LEU  13          HD23      LEU  13  18.960  13.979  -2.146
  Start of MODEL    6
    1    H1   LEU   1           HT1      LEU   1  30.260  12.480   0.679
    2    H2   LEU   1           HT2      LEU   1  31.756  13.040   0.101
    3    H3   LEU   1           HT3      LEU   1  31.597  11.439   0.648
    4    HA   LEU   1           HA       LEU   1  29.678  11.661  -1.247
    5    HB2  LEU   1           HB2      LEU   1  32.180  13.228  -1.959
    6    HB3  LEU   1           HB1      LEU   1  31.197  12.437  -3.214
    7    HG   LEU   1           HG       LEU   1  29.207  13.692  -2.481
    8   HD11  LEU   1          HD11      LEU   1  29.504  13.993  -0.140
    9   HD12  LEU   1          HD12      LEU   1  29.668  15.631  -0.812
   10   HD13  LEU   1          HD13      LEU   1  31.120  14.712  -0.345
   11   HD21  LEU   1          HD21      LEU   1  30.720  14.694  -4.172
   12   HD22  LEU   1          HD22      LEU   1  31.658  15.471  -2.874
   13   HD23  LEU   1          HD23      LEU   1  29.968  15.952  -3.163
   14    H    LEU   2           HN       LEU   2  30.559   9.607   0.098
   15    HA   LEU   2           HA       LEU   2  32.580   8.178  -1.617
   16    HB2  LEU   2           HB2      LEU   2  31.488   7.294   1.082
   17    HB3  LEU   2           HB1      LEU   2  32.971   6.754   0.266
   18    HG   LEU   2           HG       LEU   2  32.437   9.540   1.387
   19   HD11  LEU   2          HD11      LEU   2  32.903   7.828   3.102
   20   HD12  LEU   2          HD12      LEU   2  34.287   8.936   2.937
   21   HD13  LEU   2          HD13      LEU   2  34.354   7.313   2.210
   22   HD21  LEU   2          HD21      LEU   2  34.959   9.781   0.819
   23   HD22  LEU   2          HD22      LEU   2  33.817   9.860  -0.539
   24   HD23  LEU   2          HD23      LEU   2  34.734   8.365  -0.235
   25    HA   PRO   3           HA       PRO   3  29.300   5.705  -3.320
   26    HB2  PRO   3           HB2      PRO   3  30.568   3.249  -3.668
   27    HB3  PRO   3           HB1      PRO   3  30.806   4.657  -4.750
   28    HG2  PRO   3           HG2      PRO   3  32.516   3.703  -2.466
   29    HG3  PRO   3           HG1      PRO   3  33.006   4.291  -4.086
   30    HD2  PRO   3           HD2      PRO   3  33.143   5.896  -1.897
   31    HD3  PRO   3           HD1      PRO   3  32.699   6.550  -3.507
   32    H    ILE   4           HN       ILE   4  31.082   4.711  -0.473
   33    HA   ILE   4           HA       ILE   4  29.139   2.637   0.305
   34    HB   ILE   4           HB       ILE   4  31.241   3.962   2.075
   35   HG12  ILE   4          HG12      ILE   4  31.556   1.558   0.213
   36   HG13  ILE   4          HG11      ILE   4  32.277   3.162  -0.055
   37   HG21  ILE   4          HG21      ILE   4  29.405   2.425   3.027
   38   HG22  ILE   4          HG22      ILE   4  31.083   1.955   3.376
   39   HG23  ILE   4          HG23      ILE   4  30.169   1.111   2.103
   40   HD11  ILE   4           HD1      ILE   4  32.911   1.146   2.125
   41   HD12  ILE   4           HD2      ILE   4  33.341   2.866   2.302
   42   HD13  ILE   4           HD3      ILE   4  34.018   1.910   0.962
   43    H    VAL   5           HN       VAL   5  30.153   5.847   1.574
   44    HA   VAL   5           HA       VAL   5  27.452   6.694   2.053
   45    HB   VAL   5           HB       VAL   5  27.463   5.036   3.860
   46   HG11  VAL   5          HG11      VAL   5  29.743   6.510   5.225
   47   HG12  VAL   5          HG12      VAL   5  30.073   5.190   4.079
   48   HG13  VAL   5          HG13      VAL   5  29.109   4.881   5.541
   49   HG21  VAL   5          HG21      VAL   5  26.359   7.284   4.172
   50   HG22  VAL   5          HG22      VAL   5  27.816   7.835   5.030
   51   HG23  VAL   5          HG23      VAL   5  26.843   6.503   5.695
   52    H    GLY   6           HN       GLY   6  27.723   8.759   1.558
   53    HA2  GLY   6           HA1      GLY   6  30.246  10.142   2.257
   54    HA3  GLY   6           HA2      GLY   6  28.921  10.766   1.256
   55    H    ASN   7           HN       ASN   7  26.735  10.806   2.661
   56    HA   ASN   7           HA       ASN   7  27.217  11.750   5.423
   57    HB2  ASN   7           HB2      ASN   7  26.188  13.647   3.270
   58    HB3  ASN   7           HB1      ASN   7  26.252  13.987   5.016
   59   HD21  ASN   7          HD21      ASN   7  28.014  14.222   2.074
   60   HD22  ASN   7          HD22      ASN   7  29.596  14.554   2.782
   61    H    LEU   8           HN       LEU   8  25.238  10.828   2.735
   62    HA   LEU   8           HA       LEU   8  23.148   9.874   4.511
   63    HB2  LEU   8           HB2      LEU   8  22.667  12.392   4.274
   64    HB3  LEU   8           HB1      LEU   8  22.329  12.058   2.562
   65    HG   LEU   8           HG       LEU   8  20.727  10.162   3.541
   66   HD11  LEU   8          HD11      LEU   8  21.352  10.378   5.902
   67   HD12  LEU   8          HD12      LEU   8  19.671  10.917   5.694
   68   HD13  LEU   8          HD13      LEU   8  20.971  12.117   5.877
   69   HD21  LEU   8          HD21      LEU   8  19.975  12.137   2.247
   70   HD22  LEU   8          HD22      LEU   8  20.034  13.129   3.724
   71   HD23  LEU   8          HD23      LEU   8  18.864  11.793   3.595
   72    H    LEU   9           HN       LEU   9  24.744   8.485   2.868
   73    HA   LEU   9           HA       LEU   9  24.660   6.902   1.191
   74    HB2  LEU   9           HB2      LEU   9  22.243   6.697   2.176
   75    HB3  LEU   9           HB1      LEU   9  21.737   7.571   0.715
   76    HG   LEU   9           HG       LEU   9  23.215   5.724  -0.540
   77   HD11  LEU   9          HD11      LEU   9  23.059   3.517   0.626
   78   HD12  LEU   9          HD12      LEU   9  22.481   4.350   2.087
   79   HD13  LEU   9          HD13      LEU   9  24.126   4.653   1.481
   80   HD21  LEU   9          HD21      LEU   9  20.469   5.198   0.683
   81   HD22  LEU   9          HD22      LEU   9  21.181   4.240  -0.637
   82   HD23  LEU   9          HD23      LEU   9  20.811   5.963  -0.887
   83    H    LYS  10           HN       LYS  10  25.272   9.727   0.664
   84    HA   LYS  10           HA       LYS  10  25.674  11.093  -1.168
   85    HB2  LYS  10           HB2      LYS  10  26.655   8.886  -1.964
   86    HB3  LYS  10           HB1      LYS  10  25.132   8.605  -2.836
   87    HG2  LYS  10           HG2      LYS  10  25.464  10.541  -4.229
   88    HG3  LYS  10           HG1      LYS  10  26.810  11.122  -3.218
   89    HD2  LYS  10           HD2      LYS  10  28.172   9.185  -3.859
   90    HD3  LYS  10           HD1      LYS  10  26.817   8.516  -4.802
   91    HE2  LYS  10           HE2      LYS  10  28.332   9.652  -6.335
   92    HE3  LYS  10           HE1      LYS  10  26.840  10.614  -6.202
   93    HZ1  LYS  10           HZ1      LYS  10  29.489  11.133  -4.985
   94    HZ2  LYS  10           HZ2      LYS  10  28.079  11.845  -4.360
   95    HZ3  LYS  10           HZ3      LYS  10  28.552  12.154  -5.963
   96    H    SER  11           HN       SER  11  24.728  12.090  -3.141
   97    HA   SER  11           HA       SER  11  21.881  11.465  -3.671
   98    HB2  SER  11           HB2      SER  11  21.208  13.850  -3.179
   99    HB3  SER  11           HB1      SER  11  21.600  12.884  -1.740
  100    HG   SER  11           HG       SER  11  23.743  13.811  -1.899
  101    H    LEU  12           HN       LEU  12  24.810  13.362  -4.228
  102    HA   LEU  12           HA       LEU  12  23.839  14.648  -6.642
  103    HB2  LEU  12           HB2      LEU  12  26.743  14.063  -5.972
  104    HB3  LEU  12           HB1      LEU  12  26.077  15.406  -6.930
  105    HG   LEU  12           HG       LEU  12  25.672  14.957  -3.938
  106   HD11  LEU  12          HD11      LEU  12  27.951  15.755  -4.718
  107   HD12  LEU  12          HD12      LEU  12  27.094  16.898  -3.654
  108   HD13  LEU  12          HD13      LEU  12  27.145  17.182  -5.411
  109   HD21  LEU  12          HD21      LEU  12  24.695  17.354  -4.161
  110   HD22  LEU  12          HD22      LEU  12  23.681  16.012  -4.735
  111   HD23  LEU  12          HD23      LEU  12  24.577  17.013  -5.904
  112    H    LEU  13           HN       LEU  13  22.853  12.923  -7.808
  113    HA   LEU  13           HA       LEU  13  24.268  10.563  -8.595
  114    HB2  LEU  13           HB2      LEU  13  21.864  10.641  -8.780
  115    HB3  LEU  13           HB1      LEU  13  21.932  12.069  -9.833
  116    HG   LEU  13           HG       LEU  13  22.895  10.785 -11.649
  117   HD11  LEU  13          HD11      LEU  13  23.183   8.616  -9.532
  118   HD12  LEU  13          HD12      LEU  13  24.440   9.312 -10.583
  119   HD13  LEU  13          HD13      LEU  13  23.205   8.234 -11.270
  120   HD21  LEU  13          HD21      LEU  13  20.666   9.202 -10.288
  121   HD22  LEU  13          HD22      LEU  13  21.113   9.090 -12.009
  122   HD23  LEU  13          HD23      LEU  13  20.446  10.608 -11.358
  Start of MODEL    7
    1    H1   LEU   1           HT1      LEU   1  30.125  12.904   0.071
    2    H2   LEU   1           HT2      LEU   1  31.405  13.437  -0.913
    3    H3   LEU   1           HT3      LEU   1  31.511  11.945  -0.105
    4    HA   LEU   1           HA       LEU   1  29.222  11.718  -1.511
    5    HB2  LEU   1           HB2      LEU   1  31.308  13.333  -3.017
    6    HB3  LEU   1           HB1      LEU   1  30.158  12.279  -3.873
    7    HG   LEU   1           HG       LEU   1  28.262  13.490  -2.894
    8   HD11  LEU   1          HD11      LEU   1  30.460  14.941  -1.370
    9   HD12  LEU   1          HD12      LEU   1  29.006  14.138  -0.728
   10   HD13  LEU   1          HD13      LEU   1  28.855  15.672  -1.612
   11   HD21  LEU   1          HD21      LEU   1  30.378  15.376  -4.028
   12   HD22  LEU   1          HD22      LEU   1  28.626  15.686  -3.990
   13   HD23  LEU   1          HD23      LEU   1  29.274  14.359  -4.984
   14    H    LEU   2           HN       LEU   2  30.290   9.841  -0.296
   15    HA   LEU   2           HA       LEU   2  32.312   8.429  -2.009
   16    HB2  LEU   2           HB2      LEU   2  31.291   7.597   0.734
   17    HB3  LEU   2           HB1      LEU   2  32.792   7.101  -0.075
   18    HG   LEU   2           HG       LEU   2  32.134   9.908   0.923
   19   HD11  LEU   2          HD11      LEU   2  32.660   8.227   2.692
   20   HD12  LEU   2          HD12      LEU   2  33.918   9.479   2.554
   21   HD13  LEU   2          HD13      LEU   2  34.190   7.861   1.862
   22   HD21  LEU   2          HD21      LEU   2  33.516  10.183  -1.010
   23   HD22  LEU   2          HD22      LEU   2  34.493   8.747  -0.617
   24   HD23  LEU   2          HD23      LEU   2  34.646  10.226   0.362
   25    HA   PRO   3           HA       PRO   3  29.159   5.735  -3.603
   26    HB2  PRO   3           HB2      PRO   3  30.529   3.311  -3.800
   27    HB3  PRO   3           HB1      PRO   3  30.700   4.660  -4.967
   28    HG2  PRO   3           HG2      PRO   3  32.458   3.922  -2.639
   29    HG3  PRO   3           HG1      PRO   3  32.915   4.442  -4.292
   30    HD2  PRO   3           HD2      PRO   3  32.986   6.170  -2.200
   31    HD3  PRO   3           HD1      PRO   3  32.497   6.712  -3.839
   32    H    ILE   4           HN       ILE   4  30.967   4.903  -0.706
   33    HA   ILE   4           HA       ILE   4  29.067   2.827   0.156
   34    HB   ILE   4           HB       ILE   4  31.114   4.293   1.878
   35   HG12  ILE   4          HG12      ILE   4  31.476   1.877   0.045
   36   HG13  ILE   4          HG11      ILE   4  32.254   3.466  -0.136
   37   HG21  ILE   4          HG21      ILE   4  29.311   2.753   2.889
   38   HG22  ILE   4          HG22      ILE   4  30.998   2.347   3.274
   39   HG23  ILE   4          HG23      ILE   4  30.120   1.418   2.035
   40   HD11  ILE   4           HD1      ILE   4  33.909   2.132   0.921
   41   HD12  ILE   4           HD2      ILE   4  32.725   1.361   2.001
   42   HD13  ILE   4           HD3      ILE   4  33.193   3.060   2.260
   43    H    VAL   5           HN       VAL   5  30.029   6.058   1.415
   44    HA   VAL   5           HA       VAL   5  27.312   6.932   1.748
   45    HB   VAL   5           HB       VAL   5  27.352   5.217   3.581
   46   HG11  VAL   5          HG11      VAL   5  28.833   5.324   5.407
   47   HG12  VAL   5          HG12      VAL   5  29.257   7.024   5.109
   48   HG13  VAL   5          HG13      VAL   5  29.899   5.745   4.048
   49   HG21  VAL   5          HG21      VAL   5  26.442   6.724   5.306
   50   HG22  VAL   5          HG22      VAL   5  25.922   7.255   3.690
   51   HG23  VAL   5          HG23      VAL   5  27.232   8.117   4.531
   52    H    GLY   6           HN       GLY   6  27.553   9.015   1.353
   53    HA2  GLY   6           HA1      GLY   6  30.084  10.376   2.022
   54    HA3  GLY   6           HA2      GLY   6  28.708  11.047   1.125
   55    H    ASN   7           HN       ASN   7  26.606  10.735   2.790
   56    HA   ASN   7           HA       ASN   7  27.222  11.590   5.507
   57    HB2  ASN   7           HB2      ASN   7  27.699  13.685   4.172
   58    HB3  ASN   7           HB1      ASN   7  25.994  13.676   3.661
   59   HD21  ASN   7          HD21      ASN   7  24.399  14.408   5.143
   60   HD22  ASN   7          HD22      ASN   7  24.796  14.962   6.773
   61    H    LEU   8           HN       LEU   8  25.201  10.666   2.922
   62    HA   LEU   8           HA       LEU   8  23.149   9.700   4.705
   63    HB2  LEU   8           HB2      LEU   8  22.665  12.230   4.575
   64    HB3  LEU   8           HB1      LEU   8  22.254  11.951   2.870
   65    HG   LEU   8           HG       LEU   8  20.694  10.024   3.845
   66   HD11  LEU   8          HD11      LEU   8  21.405  10.135   6.183
   67   HD12  LEU   8          HD12      LEU   8  19.729  10.711   6.071
   68   HD13  LEU   8          HD13      LEU   8  21.058  11.879   6.246
   69   HD21  LEU   8          HD21      LEU   8  18.843  11.684   4.093
   70   HD22  LEU   8          HD22      LEU   8  19.851  12.007   2.662
   71   HD23  LEU   8          HD23      LEU   8  20.047  12.994   4.130
   72    H    LEU   9           HN       LEU   9  24.716   8.408   2.925
   73    HA   LEU   9           HA       LEU   9  24.578   6.904   1.178
   74    HB2  LEU   9           HB2      LEU   9  22.221   6.595   2.273
   75    HB3  LEU   9           HB1      LEU   9  21.621   7.527   0.885
   76    HG   LEU   9           HG       LEU   9  23.055   5.784  -0.541
   77   HD11  LEU   9          HD11      LEU   9  24.131   4.622   1.329
   78   HD12  LEU   9          HD12      LEU   9  23.000   3.510   0.529
   79   HD13  LEU   9          HD13      LEU   9  22.550   4.277   2.068
   80   HD21  LEU   9          HD21      LEU   9  20.591   6.017  -0.637
   81   HD22  LEU   9          HD22      LEU   9  20.436   5.013   0.826
   82   HD23  LEU   9          HD23      LEU   9  21.070   4.303  -0.678
   83    H    LYS  10           HN       LYS  10  25.118   9.750   0.762
   84    HA   LYS  10           HA       LYS  10  23.818  10.485  -1.765
   85    HB2  LYS  10           HB2      LYS  10  26.184  11.626  -0.229
   86    HB3  LYS  10           HB1      LYS  10  25.556  12.320  -1.744
   87    HG2  LYS  10           HG2      LYS  10  23.419  12.794  -0.755
   88    HG3  LYS  10           HG1      LYS  10  23.789  11.815   0.684
   89    HD2  LYS  10           HD2      LYS  10  24.014  14.259   1.132
   90    HD3  LYS  10           HD1      LYS  10  25.554  13.394   1.344
   91    HE2  LYS  10           HE2      LYS  10  26.445  14.235  -0.687
   92    HE3  LYS  10           HE1      LYS  10  24.841  14.692  -1.312
   93    HZ1  LYS  10           HZ1      LYS  10  25.245  16.009   1.127
   94    HZ2  LYS  10           HZ2      LYS  10  25.118  16.685  -0.426
   95    HZ3  LYS  10           HZ3      LYS  10  26.639  16.241   0.188
   96    H    SER  11           HN       SER  11  24.823  10.683  -3.803
   97    HA   SER  11           HA       SER  11  26.028   9.758  -5.560
   98    HB2  SER  11           HB2      SER  11  28.293   9.928  -3.535
   99    HB3  SER  11           HB1      SER  11  28.470   9.801  -5.299
  100    HG   SER  11           HG       SER  11  26.806  11.775  -4.891
  101    H    LEU  12           HN       LEU  12  25.006   7.748  -5.700
  102    HA   LEU  12           HA       LEU  12  25.912   5.495  -4.072
  103    HB2  LEU  12           HB2      LEU  12  24.377   5.323  -6.688
  104    HB3  LEU  12           HB1      LEU  12  24.342   4.203  -5.305
  105    HG   LEU  12           HG       LEU  12  23.300   7.073  -5.325
  106   HD11  LEU  12          HD11      LEU  12  21.097   5.956  -5.019
  107   HD12  LEU  12          HD12      LEU  12  21.892   4.369  -5.163
  108   HD13  LEU  12          HD13      LEU  12  21.869   5.484  -6.551
  109   HD21  LEU  12          HD21      LEU  12  23.547   4.964  -3.137
  110   HD22  LEU  12          HD22      LEU  12  22.367   6.294  -3.037
  111   HD23  LEU  12          HD23      LEU  12  24.106   6.653  -3.109
  112    H    LEU  13           HN       LEU  13  26.220   6.392  -7.539
  113    HA   LEU  13           HA       LEU  13  28.944   5.379  -7.634
  114    HB2  LEU  13           HB2      LEU  13  28.229   3.651  -9.520
  115    HB3  LEU  13           HB1      LEU  13  28.161   3.180  -7.807
  116    HG   LEU  13           HG       LEU  13  25.766   3.664  -7.712
  117   HD11  LEU  13          HD11      LEU  13  25.487   5.537  -9.171
  118   HD12  LEU  13          HD12      LEU  13  24.611   4.208  -9.963
  119   HD13  LEU  13          HD13      LEU  13  26.225   4.680 -10.546
  120   HD21  LEU  13          HD21      LEU  13  26.467   2.060 -10.212
  121   HD22  LEU  13          HD22      LEU  13  24.970   1.922  -9.260
  122   HD23  LEU  13          HD23      LEU  13  26.527   1.438  -8.546
  Start of MODEL    8
    1    H1   LEU   1           HT1      LEU   1  29.344   8.847  -5.560
    2    H2   LEU   1           HT2      LEU   1  29.253  10.473  -5.076
    3    H3   LEU   1           HT3      LEU   1  27.833   9.594  -5.383
    4    HA   LEU   1           HA       LEU   1  28.893  10.006  -2.985
    5    HB2  LEU   1           HB2      LEU   1  27.279   8.433  -2.198
    6    HB3  LEU   1           HB1      LEU   1  26.601   9.149  -3.674
    7    HG   LEU   1           HG       LEU   1  27.928   6.411  -3.399
    8   HD11  LEU   1          HD11      LEU   1  25.126   7.188  -4.299
    9   HD12  LEU   1          HD12      LEU   1  25.533   6.734  -2.626
   10   HD13  LEU   1          HD13      LEU   1  25.736   5.555  -3.946
   11   HD21  LEU   1          HD21      LEU   1  28.620   7.186  -5.552
   12   HD22  LEU   1          HD22      LEU   1  27.073   8.014  -5.846
   13   HD23  LEU   1          HD23      LEU   1  27.154   6.237  -5.876
   14    H    LEU   2           HN       LEU   2  29.540   8.360  -1.306
   15    HA   LEU   2           HA       LEU   2  31.978   6.987  -2.298
   16    HB2  LEU   2           HB2      LEU   2  30.847   7.759   0.406
   17    HB3  LEU   2           HB1      LEU   2  32.147   6.551   0.312
   18    HG   LEU   2           HG       LEU   2  33.560   8.161  -0.931
   19   HD11  LEU   2          HD11      LEU   2  31.110   9.942  -0.606
   20   HD12  LEU   2          HD12      LEU   2  31.943   9.486  -2.112
   21   HD13  LEU   2          HD13      LEU   2  32.729  10.591  -0.962
   22   HD21  LEU   2          HD21      LEU   2  33.543   8.074   1.593
   23   HD22  LEU   2          HD22      LEU   2  32.384   9.426   1.584
   24   HD23  LEU   2          HD23      LEU   2  34.026   9.656   0.936
   25    HA   PRO   3           HA       PRO   3  30.209   2.930  -2.361
   26    HB2  PRO   3           HB2      PRO   3  32.276   1.373  -1.307
   27    HB3  PRO   3           HB1      PRO   3  32.240   1.997  -2.987
   28    HG2  PRO   3           HG2      PRO   3  33.662   3.103  -0.577
   29    HG3  PRO   3           HG1      PRO   3  34.236   2.945  -2.266
   30    HD2  PRO   3           HD2      PRO   3  33.356   5.324  -1.286
   31    HD3  PRO   3           HD1      PRO   3  33.050   4.843  -2.987
   32    H    ILE   4           HN       ILE   4  31.588   4.218   0.606
   33    HA   ILE   4           HA       ILE   4  30.075   2.270   2.293
   34    HB   ILE   4           HB       ILE   4  31.780   4.622   3.225
   35   HG12  ILE   4          HG12      ILE   4  32.610   1.735   2.663
   36   HG13  ILE   4          HG11      ILE   4  33.117   3.161   1.730
   37   HG21  ILE   4          HG21      ILE   4  31.178   1.965   4.592
   38   HG22  ILE   4          HG22      ILE   4  30.147   3.401   4.799
   39   HG23  ILE   4          HG23      ILE   4  31.847   3.446   5.316
   40   HD11  ILE   4           HD1      ILE   4  33.993   4.088   4.004
   41   HD12  ILE   4           HD2      ILE   4  34.921   2.786   3.223
   42   HD13  ILE   4           HD3      ILE   4  33.836   2.412   4.582
   43    H    VAL   5           HN       VAL   5  30.570   5.826   2.456
   44    HA   VAL   5           HA       VAL   5  27.783   6.458   2.137
   45    HB   VAL   5           HB       VAL   5  27.553   5.363   4.347
   46   HG11  VAL   5          HG11      VAL   5  29.983   5.941   5.010
   47   HG12  VAL   5          HG12      VAL   5  28.745   6.070   6.281
   48   HG13  VAL   5          HG13      VAL   5  29.354   7.536   5.482
   49   HG21  VAL   5          HG21      VAL   5  27.355   8.401   4.593
   50   HG22  VAL   5          HG22      VAL   5  26.393   7.186   5.467
   51   HG23  VAL   5          HG23      VAL   5  26.186   7.390   3.712
   52    H    GLY   6           HN       GLY   6  27.723   8.486   1.446
   53    HA2  GLY   6           HA1      GLY   6  30.113  10.173   1.738
   54    HA3  GLY   6           HA2      GLY   6  28.641  10.546   0.818
   55    H    ASN   7           HN       ASN   7  26.616  10.588   2.456
   56    HA   ASN   7           HA       ASN   7  27.277  11.943   4.999
   57    HB2  ASN   7           HB2      ASN   7  27.495  13.786   3.342
   58    HB3  ASN   7           HB1      ASN   7  25.844  13.448   2.768
   59   HD21  ASN   7          HD21      ASN   7  24.293  14.773   3.693
   60   HD22  ASN   7          HD22      ASN   7  24.407  15.465   5.314
   61    H    LEU   8           HN       LEU   8  25.119  10.638   2.617
   62    HA   LEU   8           HA       LEU   8  23.351   9.519   4.582
   63    HB2  LEU   8           HB2      LEU   8  22.642  11.983   4.626
   64    HB3  LEU   8           HB1      LEU   8  22.130  11.771   2.939
   65    HG   LEU   8           HG       LEU   8  20.762   9.707   3.864
   66   HD11  LEU   8          HD11      LEU   8  19.945  10.166   6.226
   67   HD12  LEU   8          HD12      LEU   8  21.279  11.328   6.402
   68   HD13  LEU   8          HD13      LEU   8  21.627   9.604   6.130
   69   HD21  LEU   8          HD21      LEU   8  19.746  11.772   2.956
   70   HD22  LEU   8          HD22      LEU   8  19.962  12.578   4.528
   71   HD23  LEU   8          HD23      LEU   8  18.846  11.199   4.380
   72    H    LEU   9           HN       LEU   9  24.716   8.267   2.732
   73    HA   LEU   9           HA       LEU   9  24.531   6.838   0.919
   74    HB2  LEU   9           HB2      LEU   9  21.539   7.370   0.938
   75    HB3  LEU   9           HB1      LEU   9  22.399   5.911   0.393
   76    HG   LEU   9           HG       LEU   9  22.174   6.934   3.259
   77   HD11  LEU   9          HD11      LEU   9  21.216   4.337   1.983
   78   HD12  LEU   9          HD12      LEU   9  20.178   5.762   2.235
   79   HD13  LEU   9          HD13      LEU   9  20.880   4.912   3.633
   80   HD21  LEU   9          HD21      LEU   9  23.347   4.664   3.723
   81   HD22  LEU   9          HD22      LEU   9  24.362   5.985   3.103
   82   HD23  LEU   9          HD23      LEU   9  23.814   4.694   2.005
   83    H    LYS  10           HN       LYS  10  24.702   9.845   0.699
   84    HA   LYS  10           HA       LYS  10  24.383   9.936  -2.239
   85    HB2  LYS  10           HB2      LYS  10  22.824  11.794  -0.391
   86    HB3  LYS  10           HB1      LYS  10  23.096  12.105  -2.122
   87    HG2  LYS  10           HG2      LYS  10  22.061   9.773  -2.543
   88    HG3  LYS  10           HG1      LYS  10  21.533   9.826  -0.844
   89    HD2  LYS  10           HD2      LYS  10  20.281  11.889  -1.253
   90    HD3  LYS  10           HD1      LYS  10  20.877  11.954  -2.928
   91    HE2  LYS  10           HE2      LYS  10  18.570  11.002  -2.779
   92    HE3  LYS  10           HE1      LYS  10  19.740   9.842  -3.451
   93    HZ1  LYS  10           HZ1      LYS  10  19.647   9.678  -0.611
   94    HZ2  LYS  10           HZ2      LYS  10  19.370   8.465  -1.768
   95    HZ3  LYS  10           HZ3      LYS  10  18.097   9.470  -1.265
   96    H    SER  11           HN       SER  11  25.407  11.820  -3.185
   97    HA   SER  11           HA       SER  11  27.819  12.540  -1.692
   98    HB2  SER  11           HB2      SER  11  28.463  13.707  -3.724
   99    HB3  SER  11           HB1      SER  11  27.768  12.131  -4.163
  100    HG   SER  11           HG       SER  11  26.638  13.445  -5.425
  101    H    LEU  12           HN       LEU  12  24.875  13.507  -1.058
  102    HA   LEU  12           HA       LEU  12  25.053  16.395  -1.303
  103    HB2  LEU  12           HB2      LEU  12  22.924  15.003  -1.087
  104    HB3  LEU  12           HB1      LEU  12  23.337  14.798   0.628
  105    HG   LEU  12           HG       LEU  12  23.527  17.443   0.638
  106   HD11  LEU  12          HD11      LEU  12  21.807  16.918  -1.831
  107   HD12  LEU  12          HD12      LEU  12  23.310  17.867  -1.751
  108   HD13  LEU  12          HD13      LEU  12  21.842  18.462  -0.952
  109   HD21  LEU  12          HD21      LEU  12  21.094  17.610   1.139
  110   HD22  LEU  12          HD22      LEU  12  21.825  16.170   1.886
  111   HD23  LEU  12          HD23      LEU  12  20.844  16.006   0.410
  112    H    LEU  13           HN       LEU  13  27.161  16.835  -0.438
  113    HA   LEU  13           HA       LEU  13  27.905  16.143   2.248
  114    HB2  LEU  13           HB2      LEU  13  28.757  18.518   0.545
  115    HB3  LEU  13           HB1      LEU  13  29.597  17.936   1.998
  116    HG   LEU  13           HG       LEU  13  29.075  16.072  -0.357
  117   HD11  LEU  13          HD11      LEU  13  31.454  17.944   0.025
  118   HD12  LEU  13          HD12      LEU  13  30.248  18.025  -1.282
  119   HD13  LEU  13          HD13      LEU  13  31.359  16.637  -1.180
  120   HD21  LEU  13          HD21      LEU  13  29.827  14.962   1.673
  121   HD22  LEU  13          HD22      LEU  13  31.114  16.165   1.920
  122   HD23  LEU  13          HD23      LEU  13  31.207  15.026   0.558
  Start of MODEL    9
    1    H1   LEU   1           HT1      LEU   1  32.175  12.347   0.844
    2    H2   LEU   1           HT2      LEU   1  30.940  11.455   1.596
    3    H3   LEU   1           HT3      LEU   1  30.855  13.152   1.541
    4    HA   LEU   1           HA       LEU   1  29.365  12.197  -0.043
    5    HB2  LEU   1           HB2      LEU   1  31.739  13.339  -1.553
    6    HB3  LEU   1           HB1      LEU   1  30.004  13.547  -1.888
    7    HG   LEU   1           HG       LEU   1  31.531  14.651   0.512
    8   HD11  LEU   1          HD11      LEU   1  30.154  16.043  -1.827
    9   HD12  LEU   1          HD12      LEU   1  31.912  15.815  -1.668
   10   HD13  LEU   1          HD13      LEU   1  31.036  16.833  -0.500
   11   HD21  LEU   1          HD21      LEU   1  29.327  14.136   1.295
   12   HD22  LEU   1          HD22      LEU   1  28.577  14.649  -0.236
   13   HD23  LEU   1          HD23      LEU   1  29.271  15.861   0.868
   14    H    LEU   2           HN       LEU   2  30.872   9.903   0.749
   15    HA   LEU   2           HA       LEU   2  32.008   8.769  -1.739
   16    HB2  LEU   2           HB2      LEU   2  31.677   7.804   1.120
   17    HB3  LEU   2           HB1      LEU   2  32.157   6.682  -0.174
   18    HG   LEU   2           HG       LEU   2  34.110   8.058  -0.704
   19   HD11  LEU   2          HD11      LEU   2  34.619  10.004   0.931
   20   HD12  LEU   2          HD12      LEU   2  32.895   9.932   1.364
   21   HD13  LEU   2          HD13      LEU   2  33.380  10.294  -0.310
   22   HD21  LEU   2          HD21      LEU   2  34.187   6.368   1.182
   23   HD22  LEU   2          HD22      LEU   2  33.909   7.708   2.320
   24   HD23  LEU   2          HD23      LEU   2  35.388   7.674   1.330
   25    HA   PRO   3           HA       PRO   3  28.172   6.843  -2.934
   26    HB2  PRO   3           HB2      PRO   3  29.008   4.810  -4.530
   27    HB3  PRO   3           HB1      PRO   3  29.270   6.525  -4.988
   28    HG2  PRO   3           HG2      PRO   3  31.193   4.589  -3.701
   29    HG3  PRO   3           HG1      PRO   3  31.457   5.698  -5.086
   30    HD2  PRO   3           HD2      PRO   3  32.230   6.329  -2.516
   31    HD3  PRO   3           HD1      PRO   3  31.726   7.568  -3.713
   32    H    ILE   4           HN       ILE   4  29.344   6.057  -0.315
   33    HA   ILE   4           HA       ILE   4  27.976   3.409  -0.082
   34    HB   ILE   4           HB       ILE   4  30.691   3.862   1.227
   35   HG12  ILE   4          HG12      ILE   4  30.046   2.503  -1.431
   36   HG13  ILE   4          HG11      ILE   4  31.048   3.955  -1.198
   37   HG21  ILE   4          HG21      ILE   4  30.590   1.526   1.704
   38   HG22  ILE   4          HG22      ILE   4  29.271   1.258   0.538
   39   HG23  ILE   4          HG23      ILE   4  28.955   2.128   2.058
   40   HD11  ILE   4           HD1      ILE   4  32.516   2.480   0.347
   41   HD12  ILE   4           HD2      ILE   4  32.613   2.174  -1.403
   42   HD13  ILE   4           HD3      ILE   4  31.652   1.096  -0.365
   43    H    VAL   5           HN       VAL   5  29.728   6.036   1.641
   44    HA   VAL   5           HA       VAL   5  27.437   6.308   3.493
   45    HB   VAL   5           HB       VAL   5  28.940   6.140   5.527
   46   HG11  VAL   5          HG11      VAL   5  27.382   4.288   4.702
   47   HG12  VAL   5          HG12      VAL   5  28.738   3.750   5.718
   48   HG13  VAL   5          HG13      VAL   5  28.810   3.535   3.954
   49   HG21  VAL   5          HG21      VAL   5  30.816   4.906   3.460
   50   HG22  VAL   5          HG22      VAL   5  31.033   4.773   5.222
   51   HG23  VAL   5          HG23      VAL   5  31.114   6.367   4.432
   52    H    GLY   6           HN       GLY   6  28.244   8.096   1.596
   53    HA2  GLY   6           HA1      GLY   6  30.152  10.011   2.725
   54    HA3  GLY   6           HA2      GLY   6  29.138  10.232   1.283
   55    H    ASN   7           HN       ASN   7  27.329  11.431   1.396
   56    HA   ASN   7           HA       ASN   7  26.705  12.665   4.051
   57    HB2  ASN   7           HB2      ASN   7  27.056  14.094   1.994
   58    HB3  ASN   7           HB1      ASN   7  25.599  13.348   1.297
   59   HD21  ASN   7          HD21      ASN   7  24.964  15.823   1.420
   60   HD22  ASN   7          HD22      ASN   7  24.160  16.315   2.915
   61    H    LEU   8           HN       LEU   8  26.069  10.070   4.074
   62    HA   LEU   8           HA       LEU   8  24.312   8.643   4.541
   63    HB2  LEU   8           HB2      LEU   8  22.380  10.957   4.134
   64    HB3  LEU   8           HB1      LEU   8  22.160   9.496   5.119
   65    HG   LEU   8           HG       LEU   8  24.088  11.796   5.661
   66   HD11  LEU   8          HD11      LEU   8  22.739  12.049   7.707
   67   HD12  LEU   8          HD12      LEU   8  21.727  10.668   7.226
   68   HD13  LEU   8          HD13      LEU   8  21.704  12.165   6.265
   69   HD21  LEU   8          HD21      LEU   8  23.808   9.039   6.928
   70   HD22  LEU   8          HD22      LEU   8  24.509  10.415   7.816
   71   HD23  LEU   8          HD23      LEU   8  25.284   9.832   6.325
   72    H    LEU   9           HN       LEU   9  25.067   7.825   2.450
   73    HA   LEU   9           HA       LEU   9  24.576   6.918   0.381
   74    HB2  LEU   9           HB2      LEU   9  21.703   7.849   0.728
   75    HB3  LEU   9           HB1      LEU   9  22.313   6.472  -0.215
   76    HG   LEU   9           HG       LEU   9  22.305   6.743   2.823
   77   HD11  LEU   9          HD11      LEU   9  20.954   4.731   0.974
   78   HD12  LEU   9          HD12      LEU   9  20.142   6.155   1.670
   79   HD13  LEU   9          HD13      LEU   9  20.754   4.868   2.736
   80   HD21  LEU   9          HD21      LEU   9  23.152   4.299   2.638
   81   HD22  LEU   9          HD22      LEU   9  24.334   5.584   2.305
   82   HD23  LEU   9          HD23      LEU   9  23.579   4.698   0.957
   83    H    LYS  10           HN       LYS  10  25.210   9.832   0.895
   84    HA   LYS  10           HA       LYS  10  25.512  11.717  -0.408
   85    HB2  LYS  10           HB2      LYS  10  26.223   9.848  -2.045
   86    HB3  LYS  10           HB1      LYS  10  24.641  10.079  -2.816
   87    HG2  LYS  10           HG2      LYS  10  25.155  12.385  -3.360
   88    HG3  LYS  10           HG1      LYS  10  26.615  12.360  -2.346
   89    HD2  LYS  10           HD2      LYS  10  27.258  12.131  -4.695
   90    HD3  LYS  10           HD1      LYS  10  27.593  10.611  -3.836
   91    HE2  LYS  10           HE2      LYS  10  25.740   9.504  -4.822
   92    HE3  LYS  10           HE1      LYS  10  24.960  11.035  -5.297
   93    HZ1  LYS  10           HZ1      LYS  10  27.626  10.504  -6.372
   94    HZ2  LYS  10           HZ2      LYS  10  26.285  11.250  -7.100
   95    HZ3  LYS  10           HZ3      LYS  10  26.358   9.556  -6.980
   96    H    SER  11           HN       SER  11  23.604  11.501  -3.088
   97    HA   SER  11           HA       SER  11  21.677  12.666  -3.659
   98    HB2  SER  11           HB2      SER  11  20.645  11.347  -1.118
   99    HB3  SER  11           HB1      SER  11  19.653  11.992  -2.445
  100    HG   SER  11           HG       SER  11  20.391  10.404  -3.760
  101    H    LEU  12           HN       LEU  12  22.717  14.728  -3.257
  102    HA   LEU  12           HA       LEU  12  22.607  16.086  -0.758
  103    HB2  LEU  12           HB2      LEU  12  22.696  17.011  -3.643
  104    HB3  LEU  12           HB1      LEU  12  22.610  18.189  -2.319
  105    HG   LEU  12           HG       LEU  12  24.954  17.628  -3.168
  106   HD11  LEU  12          HD11      LEU  12  25.946  17.856  -1.041
  107   HD12  LEU  12          HD12      LEU  12  24.712  16.872  -0.232
  108   HD13  LEU  12          HD13      LEU  12  24.317  18.514  -0.786
  109   HD21  LEU  12          HD21      LEU  12  24.469  15.156  -3.424
  110   HD22  LEU  12          HD22      LEU  12  24.525  15.014  -1.651
  111   HD23  LEU  12          HD23      LEU  12  25.973  15.525  -2.549
  112    H    LEU  13           HN       LEU  13  20.082  15.010  -2.705
  113    HA   LEU  13           HA       LEU  13  18.235  17.209  -2.334
  114    HB2  LEU  13           HB2      LEU  13  17.840  15.646  -4.124
  115    HB3  LEU  13           HB1      LEU  13  17.867  14.264  -3.007
  116    HG   LEU  13           HG       LEU  13  15.777  14.950  -1.986
  117   HD11  LEU  13          HD11      LEU  13  16.193  17.495  -3.601
  118   HD12  LEU  13          HD12      LEU  13  15.934  17.327  -1.848
  119   HD13  LEU  13          HD13      LEU  13  14.591  17.035  -2.976
  120   HD21  LEU  13          HD21      LEU  13  15.648  13.748  -4.165
  121   HD22  LEU  13          HD22      LEU  13  15.590  15.315  -5.009
  122   HD23  LEU  13          HD23      LEU  13  14.262  14.838  -3.924
  Start of MODEL   10
    1    H1   LEU   1           HT1      LEU   1  28.645   7.868  -5.244
    2    H2   LEU   1           HT2      LEU   1  26.991   7.486  -5.332
    3    H3   LEU   1           HT3      LEU   1  28.160   6.269  -5.529
    4    HA   LEU   1           HA       LEU   1  27.799   7.848  -3.071
    5    HB2  LEU   1           HB2      LEU   1  26.843   5.650  -2.191
    6    HB3  LEU   1           HB1      LEU   1  25.794   6.580  -3.281
    7    HG   LEU   1           HG       LEU   1  27.621   4.537  -4.572
    8   HD11  LEU   1          HD11      LEU   1  26.772   3.285  -2.629
    9   HD12  LEU   1          HD12      LEU   1  25.997   2.712  -4.125
   10   HD13  LEU   1          HD13      LEU   1  25.108   3.782  -3.015
   11   HD21  LEU   1          HD21      LEU   1  25.631   4.211  -6.015
   12   HD22  LEU   1          HD22      LEU   1  26.056   5.934  -5.919
   13   HD23  LEU   1          HD23      LEU   1  24.689   5.303  -4.975
   14    H    LEU   2           HN       LEU   2  29.254   7.430  -1.495
   15    HA   LEU   2           HA       LEU   2  31.682   6.000  -2.291
   16    HB2  LEU   2           HB2      LEU   2  30.768   7.558   0.145
   17    HB3  LEU   2           HB1      LEU   2  32.270   6.611   0.206
   18    HG   LEU   2           HG       LEU   2  33.188   7.852  -1.688
   19   HD11  LEU   2          HD11      LEU   2  30.419   9.119  -1.749
   20   HD12  LEU   2          HD12      LEU   2  31.262   8.258  -3.059
   21   HD13  LEU   2          HD13      LEU   2  31.828   9.863  -2.541
   22   HD21  LEU   2          HD21      LEU   2  33.450  10.012  -0.629
   23   HD22  LEU   2          HD22      LEU   2  33.283   8.808   0.672
   24   HD23  LEU   2          HD23      LEU   2  31.901   9.841   0.230
   25    HA   PRO   3           HA       PRO   3  30.625   2.092  -0.462
   26    HB2  PRO   3           HB2      PRO   3  33.074   1.042   0.160
   27    HB3  PRO   3           HB1      PRO   3  32.539   1.276  -1.536
   28    HG2  PRO   3           HG2      PRO   3  34.319   3.025   0.153
   29    HG3  PRO   3           HG1      PRO   3  34.536   2.487  -1.543
   30    HD2  PRO   3           HD2      PRO   3  33.533   4.965  -0.909
   31    HD3  PRO   3           HD1      PRO   3  33.032   4.071  -2.382
   32    H    ILE   4           HN       ILE   4  31.022   4.651   1.275
   33    HA   ILE   4           HA       ILE   4  30.768   3.231   3.857
   34    HB   ILE   4           HB       ILE   4  32.461   4.721   4.974
   35   HG12  ILE   4          HG12      ILE   4  33.204   5.357   2.079
   36   HG13  ILE   4          HG11      ILE   4  32.532   6.500   3.265
   37   HG21  ILE   4          HG21      ILE   4  32.926   2.328   4.138
   38   HG22  ILE   4          HG22      ILE   4  34.349   3.357   4.412
   39   HG23  ILE   4          HG23      ILE   4  33.756   3.083   2.755
   40   HD11  ILE   4           HD1      ILE   4  34.867   6.919   3.329
   41   HD12  ILE   4           HD2      ILE   4  35.270   5.189   3.242
   42   HD13  ILE   4           HD3      ILE   4  34.588   5.872   4.739
   43    H    VAL   5           HN       VAL   5  29.182   4.916   1.955
   44    HA   VAL   5           HA       VAL   5  27.614   6.612   2.113
   45    HB   VAL   5           HB       VAL   5  28.123   6.618   5.118
   46   HG11  VAL   5          HG11      VAL   5  25.591   7.079   3.480
   47   HG12  VAL   5          HG12      VAL   5  26.638   8.385   4.084
   48   HG13  VAL   5          HG13      VAL   5  25.795   7.319   5.231
   49   HG21  VAL   5          HG21      VAL   5  26.278   4.871   5.152
   50   HG22  VAL   5          HG22      VAL   5  27.827   4.297   4.488
   51   HG23  VAL   5          HG23      VAL   5  26.487   4.711   3.391
   52    H    GLY   6           HN       GLY   6  28.050   8.563   1.344
   53    HA2  GLY   6           HA1      GLY   6  30.412  10.033   2.194
   54    HA3  GLY   6           HA2      GLY   6  29.175  10.577   1.043
   55    H    ASN   7           HN       ASN   7  26.877  10.505   2.532
   56    HA   ASN   7           HA       ASN   7  27.358  12.032   5.039
   57    HB2  ASN   7           HB2      ASN   7  27.414  13.726   3.175
   58    HB3  ASN   7           HB1      ASN   7  25.761  13.232   2.740
   59   HD21  ASN   7          HD21      ASN   7  27.739  14.928   5.163
   60   HD22  ASN   7          HD22      ASN   7  26.371  15.590   6.063
   61    H    LEU   8           HN       LEU   8  25.150  10.705   2.611
   62    HA   LEU   8           HA       LEU   8  23.591   9.326   4.601
   63    HB2  LEU   8           HB2      LEU   8  22.859  11.939   4.570
   64    HB3  LEU   8           HB1      LEU   8  21.871  11.385   3.202
   65    HG   LEU   8           HG       LEU   8  21.868  10.137   5.995
   66   HD11  LEU   8          HD11      LEU   8  19.639  11.179   6.202
   67   HD12  LEU   8          HD12      LEU   8  19.830  11.925   4.597
   68   HD13  LEU   8          HD13      LEU   8  20.890  12.418   5.940
   69   HD21  LEU   8          HD21      LEU   8  20.172   9.656   3.501
   70   HD22  LEU   8          HD22      LEU   8  19.806   8.994   5.111
   71   HD23  LEU   8          HD23      LEU   8  21.291   8.503   4.265
   72    H    LEU   9           HN       LEU   9  24.992   8.473   2.457
   73    HA   LEU   9           HA       LEU   9  24.712   7.008   0.688
   74    HB2  LEU   9           HB2      LEU   9  22.294   6.781   1.947
   75    HB3  LEU   9           HB1      LEU   9  21.743   7.454   0.401
   76    HG   LEU   9           HG       LEU   9  23.522   4.983   0.698
   77   HD11  LEU   9          HD11      LEU   9  20.540   5.302   0.153
   78   HD12  LEU   9          HD12      LEU   9  21.296   4.504   1.553
   79   HD13  LEU   9          HD13      LEU   9  21.439   3.783  -0.068
   80   HD21  LEU   9          HD21      LEU   9  22.124   6.279  -1.686
   81   HD22  LEU   9          HD22      LEU   9  22.893   4.676  -1.723
   82   HD23  LEU   9          HD23      LEU   9  23.879   6.129  -1.434
   83    H    LYS  10           HN       LYS  10  25.202   9.859   0.514
   84    HA   LYS  10           HA       LYS  10  25.259  11.563  -1.059
   85    HB2  LYS  10           HB2      LYS  10  26.349   9.501  -2.204
   86    HB3  LYS  10           HB1      LYS  10  24.858   9.405  -3.163
   87    HG2  LYS  10           HG2      LYS  10  25.213  11.818  -3.835
   88    HG3  LYS  10           HG1      LYS  10  26.773  11.777  -2.981
   89    HD2  LYS  10           HD2      LYS  10  27.436   9.816  -4.422
   90    HD3  LYS  10           HD1      LYS  10  25.936  10.053  -5.351
   91    HE2  LYS  10           HE2      LYS  10  28.263  11.992  -5.048
   92    HE3  LYS  10           HE1      LYS  10  27.674  11.224  -6.540
   93    HZ1  LYS  10           HZ1      LYS  10  25.516  12.399  -6.107
   94    HZ2  LYS  10           HZ2      LYS  10  26.821  13.412  -6.505
   95    HZ3  LYS  10           HZ3      LYS  10  26.304  13.282  -4.891
   96    H    SER  11           HN       SER  11  23.755  10.682  -3.803
   97    HA   SER  11           HA       SER  11  21.759  11.376  -4.761
   98    HB2  SER  11           HB2      SER  11  20.522  10.531  -2.115
   99    HB3  SER  11           HB1      SER  11  19.729  10.607  -3.704
  100    HG   SER  11           HG       SER  11  20.335   8.512  -3.443
  101    H    LEU  12           HN       LEU  12  22.690  13.590  -4.546
  102    HA   LEU  12           HA       LEU  12  21.880  15.315  -2.391
  103    HB2  LEU  12           HB2      LEU  12  22.834  15.781  -5.235
  104    HB3  LEU  12           HB1      LEU  12  22.357  17.139  -4.190
  105    HG   LEU  12           HG       LEU  12  24.025  16.500  -2.519
  106   HD11  LEU  12          HD11      LEU  12  24.432  14.114  -4.366
  107   HD12  LEU  12          HD12      LEU  12  24.080  14.117  -2.621
  108   HD13  LEU  12          HD13      LEU  12  25.679  14.626  -3.203
  109   HD21  LEU  12          HD21      LEU  12  24.732  17.933  -4.424
  110   HD22  LEU  12          HD22      LEU  12  25.196  16.478  -5.339
  111   HD23  LEU  12          HD23      LEU  12  26.069  16.910  -3.850
  112    H    LEU  13           HN       LEU  13  20.602  14.894  -5.727
  113    HA   LEU  13           HA       LEU  13  18.330  16.641  -5.218
  114    HB2  LEU  13           HB2      LEU  13  19.073  14.687  -7.422
  115    HB3  LEU  13           HB1      LEU  13  17.499  15.516  -7.408
  116    HG   LEU  13           HG       LEU  13  18.583  17.699  -7.442
  117   HD11  LEU  13          HD11      LEU  13  21.164  17.707  -7.747
  118   HD12  LEU  13          HD12      LEU  13  21.120  16.055  -7.086
  119   HD13  LEU  13          HD13      LEU  13  20.537  17.424  -6.107
  120   HD21  LEU  13          HD21      LEU  13  19.711  17.556  -9.644
  121   HD22  LEU  13          HD22      LEU  13  18.258  16.529  -9.606
  122   HD23  LEU  13          HD23      LEU  13  19.872  15.795  -9.450
  Start of MODEL   11
    1    H1   LEU   1           HT1      LEU   1  24.678   7.440  -1.556
    2    H2   LEU   1           HT2      LEU   1  25.903   8.490  -2.087
    3    H3   LEU   1           HT3      LEU   1  26.284   7.171  -1.086
    4    HA   LEU   1           HA       LEU   1  25.191   5.822  -2.996
    5    HB2  LEU   1           HB2      LEU   1  26.429   8.143  -4.514
    6    HB3  LEU   1           HB1      LEU   1  25.455   6.796  -5.147
    7    HG   LEU   1           HG       LEU   1  24.471   9.034  -3.320
    8   HD11  LEU   1          HD11      LEU   1  23.154   9.716  -5.272
    9   HD12  LEU   1          HD12      LEU   1  23.783   8.340  -6.211
   10   HD13  LEU   1          HD13      LEU   1  24.876   9.653  -5.713
   11   HD21  LEU   1          HD21      LEU   1  23.221   7.080  -2.726
   12   HD22  LEU   1          HD22      LEU   1  23.145   6.517  -4.413
   13   HD23  LEU   1          HD23      LEU   1  22.198   7.936  -3.901
   14    H    LEU   2           HN       LEU   2  27.870   7.513  -1.684
   15    HA   LEU   2           HA       LEU   2  29.934   6.169  -3.239
   16    HB2  LEU   2           HB2      LEU   2  30.286   7.375  -0.474
   17    HB3  LEU   2           HB1      LEU   2  31.475   7.258  -1.792
   18    HG   LEU   2           HG       LEU   2  28.964   8.989  -1.763
   19   HD11  LEU   2          HD11      LEU   2  30.956   9.738  -0.390
   20   HD12  LEU   2          HD12      LEU   2  30.515  10.852  -1.707
   21   HD13  LEU   2          HD13      LEU   2  31.909   9.762  -1.892
   22   HD21  LEU   2          HD21      LEU   2  29.253   8.279  -4.032
   23   HD22  LEU   2          HD22      LEU   2  31.027   8.385  -3.923
   24   HD23  LEU   2          HD23      LEU   2  30.043   9.869  -3.944
   25    HA   PRO   3           HA       PRO   3  29.926   2.354  -0.930
   26    HB2  PRO   3           HB2      PRO   3  32.405   1.356  -1.454
   27    HB3  PRO   3           HB1      PRO   3  31.168   1.525  -2.741
   28    HG2  PRO   3           HG2      PRO   3  33.466   3.357  -2.064
   29    HG3  PRO   3           HG1      PRO   3  32.938   2.743  -3.664
   30    HD2  PRO   3           HD2      PRO   3  32.235   5.238  -2.735
   31    HD3  PRO   3           HD1      PRO   3  31.182   4.277  -3.825
   32    H    ILE   4           HN       ILE   4  30.378   4.709   0.636
   33    HA   ILE   4           HA       ILE   4  31.745   3.493   2.901
   34    HB   ILE   4           HB       ILE   4  33.627   4.492   1.397
   35   HG12  ILE   4          HG12      ILE   4  33.405   5.495   4.275
   36   HG13  ILE   4          HG11      ILE   4  33.890   3.850   3.812
   37   HG21  ILE   4          HG21      ILE   4  32.753   7.114   2.659
   38   HG22  ILE   4          HG22      ILE   4  32.240   6.641   1.021
   39   HG23  ILE   4          HG23      ILE   4  33.969   6.843   1.388
   40   HD11  ILE   4           HD1      ILE   4  35.936   5.027   4.139
   41   HD12  ILE   4           HD2      ILE   4  35.343   6.463   3.275
   42   HD13  ILE   4           HD3      ILE   4  35.721   4.975   2.374
   43    H    VAL   5           HN       VAL   5  29.257   4.984   1.755
   44    HA   VAL   5           HA       VAL   5  27.630   6.388   2.620
   45    HB   VAL   5           HB       VAL   5  29.083   6.128   5.285
   46   HG11  VAL   5          HG11      VAL   5  27.287   7.793   5.248
   47   HG12  VAL   5          HG12      VAL   5  26.742   6.361   6.154
   48   HG13  VAL   5          HG13      VAL   5  26.181   6.626   4.486
   49   HG21  VAL   5          HG21      VAL   5  28.759   3.886   4.331
   50   HG22  VAL   5          HG22      VAL   5  27.065   4.269   3.945
   51   HG23  VAL   5          HG23      VAL   5  27.586   4.148   5.642
   52    H    GLY   6           HN       GLY   6  28.105   8.262   1.521
   53    HA2  GLY   6           HA1      GLY   6  30.178  10.089   2.555
   54    HA3  GLY   6           HA2      GLY   6  29.126  10.342   1.148
   55    H    ASN   7           HN       ASN   7  27.058  11.215   1.396
   56    HA   ASN   7           HA       ASN   7  26.686  12.686   4.000
   57    HB2  ASN   7           HB2      ASN   7  26.892  14.000   1.842
   58    HB3  ASN   7           HB1      ASN   7  25.384  13.221   1.301
   59   HD21  ASN   7          HD21      ASN   7  26.556  14.771   4.388
   60   HD22  ASN   7          HD22      ASN   7  25.099  15.746   4.601
   61    H    LEU   8           HN       LEU   8  26.078   9.932   3.807
   62    HA   LEU   8           HA       LEU   8  24.366   8.555   4.529
   63    HB2  LEU   8           HB2      LEU   8  23.493  10.827   5.594
   64    HB3  LEU   8           HB1      LEU   8  22.300  10.765   4.281
   65    HG   LEU   8           HG       LEU   8  21.965   8.241   5.108
   66   HD11  LEU   8          HD11      LEU   8  23.044   9.646   7.599
   67   HD12  LEU   8          HD12      LEU   8  23.792   8.260   6.773
   68   HD13  LEU   8          HD13      LEU   8  22.222   8.069   7.585
   69   HD21  LEU   8          HD21      LEU   8  20.184   9.025   6.651
   70   HD22  LEU   8          HD22      LEU   8  20.224  10.002   5.162
   71   HD23  LEU   8          HD23      LEU   8  20.916  10.647   6.670
   72    H    LEU   9           HN       LEU   9  24.952   7.764   2.361
   73    HA   LEU   9           HA       LEU   9  24.347   6.960   0.278
   74    HB2  LEU   9           HB2      LEU   9  21.619   7.358   1.560
   75    HB3  LEU   9           HB1      LEU   9  21.784   6.730  -0.094
   76    HG   LEU   9           HG       LEU   9  23.114   4.848   0.688
   77   HD11  LEU   9          HD11      LEU   9  24.440   5.755   2.453
   78   HD12  LEU   9          HD12      LEU   9  23.371   4.583   3.254
   79   HD13  LEU   9          HD13      LEU   9  23.011   6.324   3.350
   80   HD21  LEU   9          HD21      LEU   9  20.656   4.632   0.828
   81   HD22  LEU   9          HD22      LEU   9  20.679   5.319   2.470
   82   HD23  LEU   9          HD23      LEU   9  21.436   3.739   2.155
   83    H    LYS  10           HN       LYS  10  24.815   9.854   0.758
   84    HA   LYS  10           HA       LYS  10  23.735  10.790  -1.857
   85    HB2  LYS  10           HB2      LYS  10  23.237  12.226   0.784
   86    HB3  LYS  10           HB1      LYS  10  23.022  12.969  -0.818
   87    HG2  LYS  10           HG2      LYS  10  21.437  11.050  -1.379
   88    HG3  LYS  10           HG1      LYS  10  21.521  10.583   0.337
   89    HD2  LYS  10           HD2      LYS  10  20.748  12.870   0.973
   90    HD3  LYS  10           HD1      LYS  10  20.595  13.276  -0.753
   91    HE2  LYS  10           HE2      LYS  10  19.140  10.971   0.615
   92    HE3  LYS  10           HE1      LYS  10  18.421  12.564   0.281
   93    HZ1  LYS  10           HZ1      LYS  10  19.418  10.572  -1.686
   94    HZ2  LYS  10           HZ2      LYS  10  19.046  12.177  -2.101
   95    HZ3  LYS  10           HZ3      LYS  10  17.834  11.147  -1.502
   96    H    SER  11           HN       SER  11  24.564  13.263  -2.038
   97    HA   SER  11           HA       SER  11  27.132  13.764  -0.775
   98    HB2  SER  11           HB2      SER  11  27.095  12.747  -3.641
   99    HB3  SER  11           HB1      SER  11  28.472  13.595  -2.901
  100    HG   SER  11           HG       SER  11  27.543  11.021  -2.535
  101    H    LEU  12           HN       LEU  12  25.082  15.407  -0.733
  102    HA   LEU  12           HA       LEU  12  24.555  17.098  -2.905
  103    HB2  LEU  12           HB2      LEU  12  23.678  17.043  -0.394
  104    HB3  LEU  12           HB1      LEU  12  24.922  18.284  -0.139
  105    HG   LEU  12           HG       LEU  12  22.622  18.384  -2.146
  106   HD11  LEU  12          HD11      LEU  12  22.098  18.820   0.283
  107   HD12  LEU  12          HD12      LEU  12  21.816  20.226  -0.772
  108   HD13  LEU  12          HD13      LEU  12  23.273  20.157   0.248
  109   HD21  LEU  12          HD21      LEU  12  23.534  20.790  -2.456
  110   HD22  LEU  12          HD22      LEU  12  24.451  19.476  -3.225
  111   HD23  LEU  12          HD23      LEU  12  25.032  20.192  -1.702
  112    H    LEU  13           HN       LEU  13  27.018  17.655  -0.337
  113    HA   LEU  13           HA       LEU  13  28.238  19.919  -1.482
  114    HB2  LEU  13           HB2      LEU  13  29.280  17.656   0.250
  115    HB3  LEU  13           HB1      LEU  13  30.373  18.949  -0.298
  116    HG   LEU  13           HG       LEU  13  28.918  20.649   0.728
  117   HD11  LEU  13          HD11      LEU  13  26.724  19.709   0.512
  118   HD12  LEU  13          HD12      LEU  13  27.042  19.772   2.261
  119   HD13  LEU  13          HD13      LEU  13  27.190  18.229   1.385
  120   HD21  LEU  13          HD21      LEU  13  29.450  18.362   2.675
  121   HD22  LEU  13          HD22      LEU  13  29.351  20.095   3.067
  122   HD23  LEU  13          HD23      LEU  13  30.698  19.481   2.078
  Start of MODEL   12
    1    H1   LEU   1           HT1      LEU   1  32.653  12.566   2.976
    2    H2   LEU   1           HT2      LEU   1  32.641  11.300   4.108
    3    H3   LEU   1           HT3      LEU   1  31.236  11.674   3.229
    4    HA   LEU   1           HA       LEU   1  31.798  10.394   1.572
    5    HB2  LEU   1           HB2      LEU   1  34.403  11.938   1.799
    6    HB3  LEU   1           HB1      LEU   1  34.245  10.587   0.653
    7    HG   LEU   1           HG       LEU   1  32.238  11.709  -0.344
    8   HD11  LEU   1          HD11      LEU   1  31.400  13.059   1.447
    9   HD12  LEU   1          HD12      LEU   1  32.025  14.213   0.247
   10   HD13  LEU   1          HD13      LEU   1  32.979  13.839   1.702
   11   HD21  LEU   1          HD21      LEU   1  34.496  12.029  -1.310
   12   HD22  LEU   1          HD22      LEU   1  34.771  13.409  -0.220
   13   HD23  LEU   1          HD23      LEU   1  33.519  13.506  -1.482
   14    H    LEU   2           HN       LEU   2  31.468   8.895   3.515
   15    HA   LEU   2           HA       LEU   2  33.855   7.637   4.616
   16    HB2  LEU   2           HB2      LEU   2  30.900   7.387   4.836
   17    HB3  LEU   2           HB1      LEU   2  31.745   5.844   5.042
   18    HG   LEU   2           HG       LEU   2  33.221   6.988   6.772
   19   HD11  LEU   2          HD11      LEU   2  32.522   9.141   7.661
   20   HD12  LEU   2          HD12      LEU   2  31.107   9.179   6.582
   21   HD13  LEU   2          HD13      LEU   2  32.747   9.322   5.906
   22   HD21  LEU   2          HD21      LEU   2  31.479   6.957   8.527
   23   HD22  LEU   2          HD22      LEU   2  31.258   5.600   7.396
   24   HD23  LEU   2          HD23      LEU   2  30.212   7.037   7.280
   25    HA   PRO   3           HA       PRO   3  35.270   4.515   1.868
   26    HB2  PRO   3           HB2      PRO   3  33.768   2.567   3.645
   27    HB3  PRO   3           HB1      PRO   3  35.388   2.391   2.891
   28    HG2  PRO   3           HG2      PRO   3  35.128   3.147   5.453
   29    HG3  PRO   3           HG1      PRO   3  36.397   3.844   4.398
   30    HD2  PRO   3           HD2      PRO   3  33.934   5.145   5.469
   31    HD3  PRO   3           HD1      PRO   3  35.428   5.900   4.830
   32    H    ILE   4           HN       ILE   4  31.831   4.518   2.775
   33    HA   ILE   4           HA       ILE   4  31.166   3.831  -0.057
   34    HB   ILE   4           HB       ILE   4  31.115   1.674   1.221
   35   HG12  ILE   4          HG12      ILE   4  28.357   2.702   0.401
   36   HG13  ILE   4          HG11      ILE   4  29.612   2.165  -0.738
   37   HG21  ILE   4          HG21      ILE   4  28.750   2.851   2.726
   38   HG22  ILE   4          HG22      ILE   4  30.396   2.866   3.399
   39   HG23  ILE   4          HG23      ILE   4  29.601   1.319   3.027
   40   HD11  ILE   4           HD1      ILE   4  28.143   0.512   1.351
   41   HD12  ILE   4           HD2      ILE   4  29.641  -0.054   0.572
   42   HD13  ILE   4           HD3      ILE   4  28.193   0.267  -0.410
   43    H    VAL   5           HN       VAL   5  29.933   4.758   3.196
   44    HA   VAL   5           HA       VAL   5  27.493   5.887   2.079
   45    HB   VAL   5           HB       VAL   5  28.678   6.693   4.766
   46   HG11  VAL   5          HG11      VAL   5  26.527   7.720   3.866
   47   HG12  VAL   5          HG12      VAL   5  26.360   6.880   5.423
   48   HG13  VAL   5          HG13      VAL   5  25.813   6.093   3.924
   49   HG21  VAL   5          HG21      VAL   5  28.919   4.258   4.630
   50   HG22  VAL   5          HG22      VAL   5  27.242   4.103   4.055
   51   HG23  VAL   5          HG23      VAL   5  27.567   4.666   5.711
   52    H    GLY   6           HN       GLY   6  28.267   8.311   4.077
   53    HA2  GLY   6           HA1      GLY   6  30.085  10.068   3.324
   54    HA3  GLY   6           HA2      GLY   6  29.143  10.062   1.818
   55    H    ASN   7           HN       ASN   7  27.430  11.355   1.641
   56    HA   ASN   7           HA       ASN   7  26.658  12.947   4.055
   57    HB2  ASN   7           HB2      ASN   7  27.230  14.042   1.830
   58    HB3  ASN   7           HB1      ASN   7  25.760  13.288   1.165
   59   HD21  ASN   7          HD21      ASN   7  23.777  14.334   1.532
   60   HD22  ASN   7          HD22      ASN   7  23.590  15.709   2.625
   61    H    LEU   8           HN       LEU   8  25.965  10.202   3.984
   62    HA   LEU   8           HA       LEU   8  24.083   9.001   4.646
   63    HB2  LEU   8           HB2      LEU   8  23.090  11.470   5.056
   64    HB3  LEU   8           HB1      LEU   8  22.127  11.081   3.618
   65    HG   LEU   8           HG       LEU   8  22.294   9.354   6.135
   66   HD11  LEU   8          HD11      LEU   8  21.121  11.489   6.540
   67   HD12  LEU   8          HD12      LEU   8  19.965  10.134   6.515
   68   HD13  LEU   8          HD13      LEU   8  20.105  11.213   5.106
   69   HD21  LEU   8          HD21      LEU   8  20.664   9.178   3.565
   70   HD22  LEU   8          HD22      LEU   8  20.260   8.270   5.041
   71   HD23  LEU   8          HD23      LEU   8  21.804   7.974   4.209
   72    H    LEU   9           HN       LEU   9  25.318   8.203   2.598
   73    HA   LEU   9           HA       LEU   9  25.162   7.106   0.565
   74    HB2  LEU   9           HB2      LEU   9  22.144   7.327   0.905
   75    HB3  LEU   9           HB1      LEU   9  23.029   6.159  -0.096
   76    HG   LEU   9           HG       LEU   9  23.408   6.340   2.927
   77   HD11  LEU   9          HD11      LEU   9  21.028   5.851   2.405
   78   HD12  LEU   9          HD12      LEU   9  21.851   4.439   3.111
   79   HD13  LEU   9          HD13      LEU   9  21.543   4.507   1.359
   80   HD21  LEU   9          HD21      LEU   9  24.134   3.921   2.532
   81   HD22  LEU   9          HD22      LEU   9  25.211   5.150   1.835
   82   HD23  LEU   9          HD23      LEU   9  24.076   4.265   0.788
   83    H    LYS  10           HN       LYS  10  25.241  10.036   0.768
   84    HA   LYS  10           HA       LYS  10  25.103  11.858  -0.660
   85    HB2  LYS  10           HB2      LYS  10  24.576   9.834  -2.865
   86    HB3  LYS  10           HB1      LYS  10  25.299  11.452  -3.020
   87    HG2  LYS  10           HG2      LYS  10  27.181  10.679  -1.522
   88    HG3  LYS  10           HG1      LYS  10  26.493   9.039  -1.593
   89    HD2  LYS  10           HD2      LYS  10  26.671   9.111  -4.091
   90    HD3  LYS  10           HD1      LYS  10  27.467  10.699  -3.959
   91    HE2  LYS  10           HE2      LYS  10  28.486   8.176  -2.587
   92    HE3  LYS  10           HE1      LYS  10  29.070   8.747  -4.169
   93    HZ1  LYS  10           HZ1      LYS  10  29.231  10.973  -2.665
   94    HZ2  LYS  10           HZ2      LYS  10  30.521   9.900  -2.935
   95    HZ3  LYS  10           HZ3      LYS  10  29.595   9.781  -1.514
   96    H    SER  11           HN       SER  11  23.665  12.738  -2.658
   97    HA   SER  11           HA       SER  11  20.891  11.872  -2.619
   98    HB2  SER  11           HB2      SER  11  21.660  14.364  -1.056
   99    HB3  SER  11           HB1      SER  11  20.007  14.003  -1.599
  100    HG   SER  11           HG       SER  11  21.555  12.833   0.395
  101    H    LEU  12           HN       LEU  12  23.052  14.705  -3.033
  102    HA   LEU  12           HA       LEU  12  21.493  15.686  -5.321
  103    HB2  LEU  12           HB2      LEU  12  24.103  16.489  -3.989
  104    HB3  LEU  12           HB1      LEU  12  23.575  17.239  -5.514
  105    HG   LEU  12           HG       LEU  12  21.463  17.948  -4.461
  106   HD11  LEU  12          HD11      LEU  12  22.598  16.428  -2.081
  107   HD12  LEU  12          HD12      LEU  12  20.996  16.267  -2.840
  108   HD13  LEU  12          HD13      LEU  12  21.378  17.708  -1.874
  109   HD21  LEU  12          HD21      LEU  12  23.932  18.656  -2.809
  110   HD22  LEU  12          HD22      LEU  12  22.426  19.604  -2.879
  111   HD23  LEU  12          HD23      LEU  12  23.440  19.434  -4.332
  112    H    LEU  13           HN       LEU  13  22.563  12.926  -5.437
  113    HA   LEU  13           HA       LEU  13  23.668  11.550  -6.945
  114    HB2  LEU  13           HB2      LEU  13  22.985  13.971  -8.646
  115    HB3  LEU  13           HB1      LEU  13  23.830  12.568  -9.341
  116    HG   LEU  13           HG       LEU  13  22.001  11.083  -8.702
  117   HD11  LEU  13          HD11      LEU  13  19.875  12.207  -7.739
  118   HD12  LEU  13          HD12      LEU  13  20.935  13.572  -7.312
  119   HD13  LEU  13          HD13      LEU  13  21.235  11.960  -6.619
  120   HD21  LEU  13          HD21      LEU  13  20.254  11.971 -10.160
  121   HD22  LEU  13          HD22      LEU  13  21.841  12.430 -10.825
  122   HD23  LEU  13          HD23      LEU  13  20.865  13.629  -9.942
  Start of MODEL   13
    1    H1   LEU   1           HT1      LEU   1  33.643  12.802   0.287
    2    H2   LEU   1           HT2      LEU   1  32.698  13.171   1.648
    3    H3   LEU   1           HT3      LEU   1  32.471  14.023   0.197
    4    HA   LEU   1           HA       LEU   1  31.000  11.975   1.006
    5    HB2  LEU   1           HB2      LEU   1  30.059  12.000  -1.194
    6    HB3  LEU   1           HB1      LEU   1  30.616  13.651  -0.855
    7    HG   LEU   1           HG       LEU   1  32.044  11.558  -2.564
    8   HD11  LEU   1          HD11      LEU   1  31.586  13.108  -4.390
    9   HD12  LEU   1          HD12      LEU   1  30.872  14.284  -3.260
   10   HD13  LEU   1          HD13      LEU   1  30.059  12.729  -3.559
   11   HD21  LEU   1          HD21      LEU   1  33.562  13.625  -3.051
   12   HD22  LEU   1          HD22      LEU   1  33.812  12.771  -1.516
   13   HD23  LEU   1          HD23      LEU   1  32.900  14.298  -1.543
   14    H    LEU   2           HN       LEU   2  30.588   9.821   0.166
   15    HA   LEU   2           HA       LEU   2  33.009   8.415  -0.894
   16    HB2  LEU   2           HB2      LEU   2  31.509   7.811   1.673
   17    HB3  LEU   2           HB1      LEU   2  32.416   6.543   0.823
   18    HG   LEU   2           HG       LEU   2  33.778   9.192   1.455
   19   HD11  LEU   2          HD11      LEU   2  32.835   8.521   3.601
   20   HD12  LEU   2          HD12      LEU   2  34.578   8.159   3.602
   21   HD13  LEU   2          HD13      LEU   2  33.397   6.848   3.368
   22   HD21  LEU   2          HD21      LEU   2  34.726   6.295   1.205
   23   HD22  LEU   2          HD22      LEU   2  35.773   7.674   1.609
   24   HD23  LEU   2          HD23      LEU   2  34.985   7.594   0.018
   25    HA   PRO   3           HA       PRO   3  29.850   6.423  -3.308
   26    HB2  PRO   3           HB2      PRO   3  31.097   4.154  -4.157
   27    HB3  PRO   3           HB1      PRO   3  31.617   5.781  -4.703
   28    HG2  PRO   3           HG2      PRO   3  32.785   4.041  -2.537
   29    HG3  PRO   3           HG1      PRO   3  33.621   4.960  -3.827
   30    HD2  PRO   3           HD2      PRO   3  33.372   5.914  -1.253
   31    HD3  PRO   3           HD1      PRO   3  33.442   6.990  -2.688
   32    H    ILE   4           HN       ILE   4  30.176   5.788  -0.270
   33    HA   ILE   4           HA       ILE   4  28.311   3.454  -0.319
   34    HB   ILE   4           HB       ILE   4  30.664   3.505   1.621
   35   HG12  ILE   4          HG12      ILE   4  30.388   2.033  -1.041
   36   HG13  ILE   4          HG11      ILE   4  31.589   3.283  -0.640
   37   HG21  ILE   4          HG21      ILE   4  28.463   2.229   2.086
   38   HG22  ILE   4          HG22      ILE   4  29.967   1.283   2.162
   39   HG23  ILE   4          HG23      ILE   4  28.918   1.175   0.728
   40   HD11  ILE   4           HD1      ILE   4  31.372   0.457   0.449
   41   HD12  ILE   4           HD2      ILE   4  32.306   1.713   1.300
   42   HD13  ILE   4           HD3      ILE   4  32.756   1.234  -0.353
   43    H    VAL   5           HN       VAL   5  30.075   5.830   1.721
   44    HA   VAL   5           HA       VAL   5  27.478   6.572   2.989
   45    HB   VAL   5           HB       VAL   5  29.907   5.873   4.695
   46   HG11  VAL   5          HG11      VAL   5  26.977   6.451   5.331
   47   HG12  VAL   5          HG12      VAL   5  28.349   7.546   5.630
   48   HG13  VAL   5          HG13      VAL   5  28.224   6.011   6.522
   49   HG21  VAL   5          HG21      VAL   5  29.114   3.790   3.746
   50   HG22  VAL   5          HG22      VAL   5  27.416   4.249   4.019
   51   HG23  VAL   5          HG23      VAL   5  28.476   3.894   5.404
   52    H    GLY   6           HN       GLY   6  28.022   8.416   1.546
   53    HA2  GLY   6           HA1      GLY   6  30.339  10.046   2.206
   54    HA3  GLY   6           HA2      GLY   6  28.976  10.505   1.167
   55    H    ASN   7           HN       ASN   7  26.809  10.660   2.532
   56    HA   ASN   7           HA       ASN   7  27.299  11.904   5.198
   57    HB2  ASN   7           HB2      ASN   7  26.039  13.418   2.871
   58    HB3  ASN   7           HB1      ASN   7  26.109  13.978   4.559
   59   HD21  ASN   7          HD21      ASN   7  28.581  13.684   5.476
   60   HD22  ASN   7          HD22      ASN   7  29.794  14.383   4.399
   61    H    LEU   8           HN       LEU   8  25.168  10.884   2.593
   62    HA   LEU   8           HA       LEU   8  23.313   9.679   4.493
   63    HB2  LEU   8           HB2      LEU   8  21.350  11.074   3.293
   64    HB3  LEU   8           HB1      LEU   8  22.161  11.692   4.745
   65    HG   LEU   8           HG       LEU   8  23.674  13.058   3.358
   66   HD11  LEU   8          HD11      LEU   8  22.132  11.786   1.056
   67   HD12  LEU   8          HD12      LEU   8  23.885  11.711   1.356
   68   HD13  LEU   8          HD13      LEU   8  23.129  13.247   0.880
   69   HD21  LEU   8          HD21      LEU   8  20.740  13.361   2.579
   70   HD22  LEU   8          HD22      LEU   8  21.981  14.633   2.479
   71   HD23  LEU   8          HD23      LEU   8  21.491  13.991   4.066
   72    H    LEU   9           HN       LEU   9  24.937   8.542   2.677
   73    HA   LEU   9           HA       LEU   9  24.922   7.057   0.901
   74    HB2  LEU   9           HB2      LEU   9  21.895   7.328   0.811
   75    HB3  LEU   9           HB1      LEU   9  22.896   5.942   0.327
   76    HG   LEU   9           HG       LEU   9  22.483   6.987   3.164
   77   HD11  LEU   9          HD11      LEU   9  20.639   5.624   2.072
   78   HD12  LEU   9          HD12      LEU   9  21.337   4.890   3.536
   79   HD13  LEU   9          HD13      LEU   9  21.804   4.286   1.928
   80   HD21  LEU   9          HD21      LEU   9  24.748   6.228   3.094
   81   HD22  LEU   9          HD22      LEU   9  24.350   4.874   2.008
   82   HD23  LEU   9          HD23      LEU   9  23.829   4.836   3.711
   83    H    LYS  10           HN       LYS  10  25.204   9.881   0.502
   84    HA   LYS  10           HA       LYS  10  25.260  11.419  -1.227
   85    HB2  LYS  10           HB2      LYS  10  24.794   8.942  -2.935
   86    HB3  LYS  10           HB1      LYS  10  25.347  10.525  -3.535
   87    HG2  LYS  10           HG2      LYS  10  27.273  10.308  -1.809
   88    HG3  LYS  10           HG1      LYS  10  26.798   8.596  -1.683
   89    HD2  LYS  10           HD2      LYS  10  27.592  10.041  -4.251
   90    HD3  LYS  10           HD1      LYS  10  28.609   8.898  -3.345
   91    HE2  LYS  10           HE2      LYS  10  26.679   7.202  -3.643
   92    HE3  LYS  10           HE1      LYS  10  26.032   8.337  -4.854
   93    HZ1  LYS  10           HZ1      LYS  10  27.968   8.127  -6.154
   94    HZ2  LYS  10           HZ2      LYS  10  27.547   6.541  -5.714
   95    HZ3  LYS  10           HZ3      LYS  10  28.825   7.334  -4.925
   96    H    SER  11           HN       SER  11  24.014  12.563  -2.869
   97    HA   SER  11           HA       SER  11  21.163  12.501  -2.190
   98    HB2  SER  11           HB2      SER  11  21.026  14.445  -3.703
   99    HB3  SER  11           HB1      SER  11  22.360  14.627  -2.544
  100    HG   SER  11           HG       SER  11  23.198  13.300  -4.732
  101    H    LEU  12           HN       LEU  12  22.419  10.174  -3.638
  102    HA   LEU  12           HA       LEU  12  21.824   8.725  -5.343
  103    HB2  LEU  12           HB2      LEU  12  19.277  10.342  -5.673
  104    HB3  LEU  12           HB1      LEU  12  19.531   8.606  -5.959
  105    HG   LEU  12           HG       LEU  12  19.592  10.042  -3.268
  106   HD11  LEU  12          HD11      LEU  12  17.340   9.614  -4.290
  107   HD12  LEU  12          HD12      LEU  12  17.605   8.695  -2.789
  108   HD13  LEU  12          HD13      LEU  12  17.740   7.882  -4.368
  109   HD21  LEU  12          HD21      LEU  12  19.759   7.592  -2.431
  110   HD22  LEU  12          HD22      LEU  12  21.237   8.316  -3.102
  111   HD23  LEU  12          HD23      LEU  12  20.274   7.188  -4.087
  112    H    LEU  13           HN       LEU  13  20.119  11.612  -6.630
  113    HA   LEU  13           HA       LEU  13  21.337  11.205  -9.241
  114    HB2  LEU  13           HB2      LEU  13  19.560  13.336  -8.007
  115    HB3  LEU  13           HB1      LEU  13  20.245  13.551  -9.635
  116    HG   LEU  13           HG       LEU  13  19.234  11.369 -10.320
  117   HD11  LEU  13          HD11      LEU  13  19.067  10.148  -8.273
  118   HD12  LEU  13          HD12      LEU  13  17.387  10.509  -8.728
  119   HD13  LEU  13          HD13      LEU  13  18.191  11.468  -7.461
  120   HD21  LEU  13          HD21      LEU  13  16.966  12.210 -10.502
  121   HD22  LEU  13          HD22      LEU  13  18.066  13.607 -10.580
  122   HD23  LEU  13          HD23      LEU  13  17.183  13.251  -9.076
  Start of MODEL   14
    1    H1   LEU   1           HT1      LEU   1  31.015   8.680   0.107
    2    H2   LEU   1           HT2      LEU   1  32.158   9.866  -0.310
    3    H3   LEU   1           HT3      LEU   1  31.945   8.502  -1.299
    4    HA   LEU   1           HA       LEU   1  30.167  10.804  -0.906
    5    HB2  LEU   1           HB2      LEU   1  31.031   9.422  -3.467
    6    HB3  LEU   1           HB1      LEU   1  30.364  11.058  -3.261
    7    HG   LEU   1           HG       LEU   1  33.080  10.072  -2.286
    8   HD11  LEU   1          HD11      LEU   1  32.260  12.095  -4.417
    9   HD12  LEU   1          HD12      LEU   1  32.958  10.485  -4.716
   10   HD13  LEU   1          HD13      LEU   1  33.932  11.745  -3.920
   11   HD21  LEU   1          HD21      LEU   1  33.341  12.607  -1.782
   12   HD22  LEU   1          HD22      LEU   1  32.343  11.658  -0.657
   13   HD23  LEU   1          HD23      LEU   1  31.566  12.686  -1.887
   14    H    LEU   2           HN       LEU   2  30.225   7.403  -0.963
   15    HA   LEU   2           HA       LEU   2  27.369   7.235  -0.872
   16    HB2  LEU   2           HB2      LEU   2  27.256   7.638  -3.198
   17    HB3  LEU   2           HB1      LEU   2  28.665   6.629  -3.548
   18    HG   LEU   2           HG       LEU   2  27.387   4.595  -2.981
   19   HD11  LEU   2          HD11      LEU   2  25.946   5.370  -1.207
   20   HD12  LEU   2          HD12      LEU   2  24.875   4.907  -2.548
   21   HD13  LEU   2          HD13      LEU   2  25.233   6.624  -2.245
   22   HD21  LEU   2          HD21      LEU   2  25.733   4.691  -4.802
   23   HD22  LEU   2          HD22      LEU   2  27.226   5.533  -5.282
   24   HD23  LEU   2          HD23      LEU   2  25.796   6.470  -4.786
   25    HA   PRO   3           HA       PRO   3  29.189   2.697  -0.988
   26    HB2  PRO   3           HB2      PRO   3  32.011   2.623  -0.848
   27    HB3  PRO   3           HB1      PRO   3  31.041   2.320  -2.324
   28    HG2  PRO   3           HG2      PRO   3  32.381   4.858  -1.415
   29    HG3  PRO   3           HG1      PRO   3  32.306   4.132  -3.052
   30    HD2  PRO   3           HD2      PRO   3  30.709   6.187  -2.434
   31    HD3  PRO   3           HD1      PRO   3  30.069   4.807  -3.390
   32    H    ILE   4           HN       ILE   4  31.860   4.638   0.440
   33    HA   ILE   4           HA       ILE   4  31.434   3.389   3.055
   34    HB   ILE   4           HB       ILE   4  33.239   4.946   3.809
   35   HG12  ILE   4          HG12      ILE   4  33.031   5.947   0.930
   36   HG13  ILE   4          HG11      ILE   4  32.686   6.884   2.401
   37   HG21  ILE   4          HG21      ILE   4  34.999   3.880   2.577
   38   HG22  ILE   4          HG22      ILE   4  33.972   3.683   1.136
   39   HG23  ILE   4          HG23      ILE   4  33.655   2.717   2.596
   40   HD11  ILE   4           HD1      ILE   4  34.889   7.539   1.816
   41   HD12  ILE   4           HD2      ILE   4  35.363   5.881   1.381
   42   HD13  ILE   4           HD3      ILE   4  35.138   6.323   3.091
   43    H    VAL   5           HN       VAL   5  29.197   4.943   1.874
   44    HA   VAL   5           HA       VAL   5  27.601   6.458   2.597
   45    HB   VAL   5           HB       VAL   5  28.983   6.323   5.310
   46   HG11  VAL   5          HG11      VAL   5  26.119   6.871   4.409
   47   HG12  VAL   5          HG12      VAL   5  27.252   8.050   5.113
   48   HG13  VAL   5          HG13      VAL   5  26.637   6.706   6.105
   49   HG21  VAL   5          HG21      VAL   5  28.588   4.039   4.466
   50   HG22  VAL   5          HG22      VAL   5  26.907   4.464   4.062
   51   HG23  VAL   5          HG23      VAL   5  27.430   4.422   5.762
   52    H    GLY   6           HN       GLY   6  28.115   8.264   1.424
   53    HA2  GLY   6           HA1      GLY   6  30.311  10.002   2.028
   54    HA3  GLY   6           HA2      GLY   6  28.888  10.414   1.050
   55    H    ASN   7           HN       ASN   7  26.814  10.710   2.394
   56    HA   ASN   7           HA       ASN   7  27.373  11.955   5.060
   57    HB2  ASN   7           HB2      ASN   7  27.608  13.793   3.405
   58    HB3  ASN   7           HB1      ASN   7  25.992  13.411   2.764
   59   HD21  ASN   7          HD21      ASN   7  27.731  15.141   5.238
   60   HD22  ASN   7          HD22      ASN   7  26.315  15.658   6.159
   61    H    LEU   8           HN       LEU   8  25.289  10.656   2.599
   62    HA   LEU   8           HA       LEU   8  23.504   9.451   4.489
   63    HB2  LEU   8           HB2      LEU   8  22.773  11.923   4.589
   64    HB3  LEU   8           HB1      LEU   8  22.249  11.726   2.904
   65    HG   LEU   8           HG       LEU   8  20.944   9.607   3.831
   66   HD11  LEU   8          HD11      LEU   8  21.392  11.268   6.358
   67   HD12  LEU   8          HD12      LEU   8  21.834   9.565   6.101
   68   HD13  LEU   8          HD13      LEU   8  20.124  10.035   6.187
   69   HD21  LEU   8          HD21      LEU   8  19.868  11.639   2.913
   70   HD22  LEU   8          HD22      LEU   8  20.061  12.457   4.482
   71   HD23  LEU   8          HD23      LEU   8  18.986  11.046   4.340
   72    H    LEU   9           HN       LEU   9  25.002   8.423   2.509
   73    HA   LEU   9           HA       LEU   9  24.876   7.086   0.624
   74    HB2  LEU   9           HB2      LEU   9  21.851   7.359   0.761
   75    HB3  LEU   9           HB1      LEU   9  22.807   6.022   0.084
   76    HG   LEU   9           HG       LEU   9  22.727   6.815   3.031
   77   HD11  LEU   9          HD11      LEU   9  21.539   4.418   1.565
   78   HD12  LEU   9          HD12      LEU   9  20.612   5.800   2.197
   79   HD13  LEU   9          HD13      LEU   9  21.468   4.715   3.318
   80   HD21  LEU   9          HD21      LEU   9  23.867   4.490   3.208
   81   HD22  LEU   9          HD22      LEU   9  24.866   5.834   2.610
   82   HD23  LEU   9          HD23      LEU   9  24.189   4.649   1.465
   83    H    LYS  10           HN       LYS  10  25.165   9.920   0.405
   84    HA   LYS  10           HA       LYS  10  25.184  11.533  -1.253
   85    HB2  LYS  10           HB2      LYS  10  25.808   9.441  -2.633
   86    HB3  LYS  10           HB1      LYS  10  24.120   9.445  -3.191
   87    HG2  LYS  10           HG2      LYS  10  24.381  11.720  -4.078
   88    HG3  LYS  10           HG1      LYS  10  26.041  11.804  -3.441
   89    HD2  LYS  10           HD2      LYS  10  26.706   9.919  -4.891
   90    HD3  LYS  10           HD1      LYS  10  25.042   9.800  -5.512
   91    HE2  LYS  10           HE2      LYS  10  25.266  12.240  -6.242
   92    HE3  LYS  10           HE1      LYS  10  27.001  12.102  -5.866
   93    HZ1  LYS  10           HZ1      LYS  10  26.457   9.881  -7.356
   94    HZ2  LYS  10           HZ2      LYS  10  27.204  11.300  -7.917
   95    HZ3  LYS  10           HZ3      LYS  10  25.529  11.084  -8.109
   96    H    SER  11           HN       SER  11  23.822  12.902  -2.596
   97    HA   SER  11           HA       SER  11  20.966  12.347  -2.780
   98    HB2  SER  11           HB2      SER  11  21.877  14.450  -0.777
   99    HB3  SER  11           HB1      SER  11  20.199  14.112  -1.258
  100    HG   SER  11           HG       SER  11  20.329  12.141  -0.285
  101    H    LEU  12           HN       LEU  12  23.208  15.130  -2.357
  102    HA   LEU  12           HA       LEU  12  23.508  17.011  -3.666
  103    HB2  LEU  12           HB2      LEU  12  24.107  14.870  -5.199
  104    HB3  LEU  12           HB1      LEU  12  22.755  15.486  -6.169
  105    HG   LEU  12           HG       LEU  12  25.183  17.135  -5.308
  106   HD11  LEU  12          HD11      LEU  12  25.793  15.368  -6.917
  107   HD12  LEU  12          HD12      LEU  12  25.832  16.967  -7.701
  108   HD13  LEU  12          HD13      LEU  12  24.460  15.867  -7.985
  109   HD21  LEU  12          HD21      LEU  12  23.218  18.539  -5.657
  110   HD22  LEU  12          HD22      LEU  12  22.830  17.686  -7.171
  111   HD23  LEU  12          HD23      LEU  12  24.284  18.707  -7.070
  112    H    LEU  13           HN       LEU  13  21.144  17.131  -2.452
  113    HA   LEU  13           HA       LEU  13  19.002  18.017  -2.580
  114    HB2  LEU  13           HB2      LEU  13  19.855  19.319  -5.186
  115    HB3  LEU  13           HB1      LEU  13  18.768  19.952  -3.925
  116    HG   LEU  13           HG       LEU  13  21.778  19.514  -3.680
  117   HD11  LEU  13          HD11      LEU  13  21.044  21.505  -5.004
  118   HD12  LEU  13          HD12      LEU  13  21.855  21.961  -3.487
  119   HD13  LEU  13          HD13      LEU  13  20.081  22.049  -3.610
  120   HD21  LEU  13          HD21      LEU  13  21.369  20.730  -1.439
  121   HD22  LEU  13          HD22      LEU  13  20.848  19.032  -1.521
  122   HD23  LEU  13          HD23      LEU  13  19.646  20.340  -1.662
  Start of MODEL   15
    1    H1   LEU   1           HT1      LEU   1  31.218  13.144  -0.652
    2    H2   LEU   1           HT2      LEU   1  31.293  11.521  -0.154
    3    H3   LEU   1           HT3      LEU   1  29.893  12.440   0.138
    4    HA   LEU   1           HA       LEU   1  29.042  11.849  -1.758
    5    HB2  LEU   1           HB2      LEU   1  31.637  13.049  -2.790
    6    HB3  LEU   1           HB1      LEU   1  30.429  12.360  -3.897
    7    HG   LEU   1           HG       LEU   1  28.702  13.888  -2.907
    8   HD11  LEU   1          HD11      LEU   1  29.515  14.377  -0.721
    9   HD12  LEU   1          HD12      LEU   1  29.719  15.899  -1.615
   10   HD13  LEU   1          HD13      LEU   1  31.122  14.842  -1.327
   11   HD21  LEU   1          HD21      LEU   1  31.183  15.340  -3.925
   12   HD22  LEU   1          HD22      LEU   1  29.494  15.886  -4.062
   13   HD23  LEU   1          HD23      LEU   1  30.043  14.452  -4.964
   14    H    LEU   2           HN       LEU   2  30.525   9.936  -0.171
   15    HA   LEU   2           HA       LEU   2  31.936   8.191  -2.082
   16    HB2  LEU   2           HB2      LEU   2  31.011   7.499   0.731
   17    HB3  LEU   2           HB1      LEU   2  32.360   6.791  -0.187
   18    HG   LEU   2           HG       LEU   2  32.180   9.648   0.860
   19   HD11  LEU   2          HD11      LEU   2  34.028   7.327   1.569
   20   HD12  LEU   2          HD12      LEU   2  32.664   7.894   2.561
   21   HD13  LEU   2          HD13      LEU   2  34.067   8.955   2.287
   22   HD21  LEU   2          HD21      LEU   2  33.388   9.807  -1.190
   23   HD22  LEU   2          HD22      LEU   2  34.185   8.233  -0.945
   24   HD23  LEU   2          HD23      LEU   2  34.655   9.636   0.045
   25    HA   PRO   3           HA       PRO   3  28.300   5.959  -3.342
   26    HB2  PRO   3           HB2      PRO   3  29.343   3.485  -3.975
   27    HB3  PRO   3           HB1      PRO   3  29.600   4.941  -4.991
   28    HG2  PRO   3           HG2      PRO   3  31.428   3.706  -2.940
   29    HG3  PRO   3           HG1      PRO   3  31.811   4.336  -4.573
   30    HD2  PRO   3           HD2      PRO   3  32.275   5.801  -2.309
   31    HD3  PRO   3           HD1      PRO   3  31.807   6.570  -3.860
   32    H    ILE   4           HN       ILE   4  30.321   4.970  -0.710
   33    HA   ILE   4           HA       ILE   4  28.464   2.864   0.238
   34    HB   ILE   4           HB       ILE   4  30.812   4.084   1.753
   35   HG12  ILE   4          HG12      ILE   4  30.794   1.814  -0.292
   36   HG13  ILE   4          HG11      ILE   4  31.608   3.387  -0.472
   37   HG21  ILE   4          HG21      ILE   4  29.696   1.251   1.816
   38   HG22  ILE   4          HG22      ILE   4  29.080   2.540   2.875
   39   HG23  ILE   4          HG23      ILE   4  30.780   2.034   2.991
   40   HD11  ILE   4           HD1      ILE   4  32.861   2.769   1.727
   41   HD12  ILE   4           HD2      ILE   4  33.336   1.922   0.236
   42   HD13  ILE   4           HD3      ILE   4  32.286   1.111   1.421
   43    H    VAL   5           HN       VAL   5  29.762   5.972   1.521
   44    HA   VAL   5           HA       VAL   5  27.170   6.898   2.341
   45    HB   VAL   5           HB       VAL   5  27.242   5.178   4.046
   46   HG11  VAL   5          HG11      VAL   5  29.056   4.701   5.462
   47   HG12  VAL   5          HG12      VAL   5  29.817   6.285   5.217
   48   HG13  VAL   5          HG13      VAL   5  29.872   5.065   3.928
   49   HG21  VAL   5          HG21      VAL   5  28.048   7.813   5.364
   50   HG22  VAL   5          HG22      VAL   5  27.006   6.539   6.038
   51   HG23  VAL   5          HG23      VAL   5  26.448   7.504   4.651
   52    H    GLY   6           HN       GLY   6  27.853   8.794   1.393
   53    HA2  GLY   6           HA1      GLY   6  30.338  10.083   2.292
   54    HA3  GLY   6           HA2      GLY   6  29.159  10.718   1.129
   55    H    ASN   7           HN       ASN   7  26.820  10.570   2.668
   56    HA   ASN   7           HA       ASN   7  27.291  11.998   5.203
   57    HB2  ASN   7           HB2      ASN   7  27.585  13.804   3.507
   58    HB3  ASN   7           HB1      ASN   7  25.960  13.447   2.876
   59   HD21  ASN   7          HD21      ASN   7  25.099  15.547   3.506
   60   HD22  ASN   7          HD22      ASN   7  24.833  15.941   5.207
   61    H    LEU   8           HN       LEU   8  25.229  10.686   2.695
   62    HA   LEU   8           HA       LEU   8  23.391   9.578   4.613
   63    HB2  LEU   8           HB2      LEU   8  22.712  12.058   4.588
   64    HB3  LEU   8           HB1      LEU   8  22.216  11.800   2.901
   65    HG   LEU   8           HG       LEU   8  20.859   9.735   3.920
   66   HD11  LEU   8          HD11      LEU   8  19.990  10.282   6.206
   67   HD12  LEU   8          HD12      LEU   8  21.192  11.586   6.326
   68   HD13  LEU   8          HD13      LEU   8  21.723   9.893   6.215
   69   HD21  LEU   8          HD21      LEU   8  18.909  11.248   4.300
   70   HD22  LEU   8          HD22      LEU   8  19.808  11.670   2.822
   71   HD23  LEU   8          HD23      LEU   8  20.013  12.644   4.298
   72    H    LEU   9           HN       LEU   9  24.864   8.375   2.729
   73    HA   LEU   9           HA       LEU   9  24.619   6.820   1.034
   74    HB2  LEU   9           HB2      LEU   9  22.123   6.858   2.131
   75    HB3  LEU   9           HB1      LEU   9  21.716   7.460   0.512
   76    HG   LEU   9           HG       LEU   9  23.266   4.889   1.094
   77   HD11  LEU   9          HD11      LEU   9  20.818   4.904   1.759
   78   HD12  LEU   9          HD12      LEU   9  21.237   3.718   0.500
   79   HD13  LEU   9          HD13      LEU   9  20.425   5.238   0.055
   80   HD21  LEU   9          HD21      LEU   9  22.149   6.094  -1.480
   81   HD22  LEU   9          HD22      LEU   9  22.840   4.460  -1.337
   82   HD23  LEU   9          HD23      LEU   9  23.869   5.887  -1.070
   83    H    LYS  10           HN       LYS  10  25.459   9.493   0.599
   84    HA   LYS  10           HA       LYS  10  25.937  10.905  -1.166
   85    HB2  LYS  10           HB2      LYS  10  26.182   8.539  -2.268
   86    HB3  LYS  10           HB1      LYS  10  24.652   8.928  -3.083
   87    HG2  LYS  10           HG2      LYS  10  25.736  11.098  -3.866
   88    HG3  LYS  10           HG1      LYS  10  27.274  10.478  -3.220
   89    HD2  LYS  10           HD2      LYS  10  26.998   8.437  -4.665
   90    HD3  LYS  10           HD1      LYS  10  25.555   9.190  -5.385
   91    HE2  LYS  10           HE2      LYS  10  28.290  10.531  -5.356
   92    HE3  LYS  10           HE1      LYS  10  27.719   9.513  -6.699
   93    HZ1  LYS  10           HZ1      LYS  10  27.037  12.208  -6.058
   94    HZ2  LYS  10           HZ2      LYS  10  25.646  11.239  -6.162
   95    HZ3  LYS  10           HZ3      LYS  10  26.724  11.326  -7.472
   96    H    SER  11           HN       SER  11  24.013  10.534  -3.689
   97    HA   SER  11           HA       SER  11  21.886  12.380  -2.598
   98    HB2  SER  11           HB2      SER  11  23.498  13.316  -4.308
   99    HB3  SER  11           HB1      SER  11  22.869  12.122  -5.465
  100    HG   SER  11           HG       SER  11  21.607  13.877  -5.756
  101    H    LEU  12           HN       LEU  12  21.722   9.504  -2.413
  102    HA   LEU  12           HA       LEU  12  20.274   7.771  -2.958
  103    HB2  LEU  12           HB2      LEU  12  18.383   9.924  -3.961
  104    HB3  LEU  12           HB1      LEU  12  17.981   8.360  -3.212
  105    HG   LEU  12           HG       LEU  12  19.330  10.734  -1.850
  106   HD11  LEU  12          HD11      LEU  12  17.259  10.813  -0.525
  107   HD12  LEU  12          HD12      LEU  12  16.619   9.405  -1.405
  108   HD13  LEU  12          HD13      LEU  12  16.875  10.946  -2.258
  109   HD21  LEU  12          HD21      LEU  12  18.927   9.220   0.225
  110   HD22  LEU  12          HD22      LEU  12  20.283   8.791  -0.840
  111   HD23  LEU  12          HD23      LEU  12  18.754   7.884  -0.939
  112    H    LEU  13           HN       LEU  13  22.165   7.952  -4.832
  113    HA   LEU  13           HA       LEU  13  21.522   8.525  -7.475
  114    HB2  LEU  13           HB2      LEU  13  23.236   7.007  -8.123
  115    HB3  LEU  13           HB1      LEU  13  23.714   7.620  -6.526
  116    HG   LEU  13           HG       LEU  13  22.462   4.912  -7.174
  117   HD11  LEU  13          HD11      LEU  13  24.942   5.268  -7.511
  118   HD12  LEU  13          HD12      LEU  13  24.543   4.032  -6.293
  119   HD13  LEU  13          HD13      LEU  13  25.067   5.652  -5.778
  120   HD21  LEU  13          HD21      LEU  13  22.777   4.559  -4.634
  121   HD22  LEU  13          HD22      LEU  13  21.408   5.582  -5.122
  122   HD23  LEU  13          HD23      LEU  13  22.904   6.329  -4.511
  Start of MODEL   16
    1    H1   LEU   1           HT1      LEU   1  33.366  13.214   0.275
    2    H2   LEU   1           HT2      LEU   1  32.794  12.188   1.505
    3    H3   LEU   1           HT3      LEU   1  32.168  13.759   1.344
    4    HA   LEU   1           HA       LEU   1  30.588  12.254   0.500
    5    HB2  LEU   1           HB2      LEU   1  32.010  13.449  -1.904
    6    HB3  LEU   1           HB1      LEU   1  30.263  13.210  -1.656
    7    HG   LEU   1           HG       LEU   1  32.054  15.132  -0.101
    8   HD11  LEU   1          HD11      LEU   1  30.714  16.872  -1.234
    9   HD12  LEU   1          HD12      LEU   1  29.802  15.615  -2.103
   10   HD13  LEU   1          HD13      LEU   1  31.539  15.839  -2.425
   11   HD21  LEU   1          HD21      LEU   1  30.360  14.404   1.422
   12   HD22  LEU   1          HD22      LEU   1  29.117  14.358   0.149
   13   HD23  LEU   1          HD23      LEU   1  29.729  15.920   0.743
   14    H    LEU   2           HN       LEU   2  30.431  10.138   0.254
   15    HA   LEU   2           HA       LEU   2  32.251   8.788  -1.728
   16    HB2  LEU   2           HB2      LEU   2  31.352   7.646   0.952
   17    HB3  LEU   2           HB1      LEU   2  32.435   6.869  -0.218
   18    HG   LEU   2           HG       LEU   2  33.052   9.545   1.115
   19   HD11  LEU   2          HD11      LEU   2  33.996   6.746   1.877
   20   HD12  LEU   2          HD12      LEU   2  32.853   7.742   2.809
   21   HD13  LEU   2          HD13      LEU   2  34.541   8.271   2.615
   22   HD21  LEU   2          HD21      LEU   2  34.367   9.290  -0.877
   23   HD22  LEU   2          HD22      LEU   2  34.640   7.559  -0.571
   24   HD23  LEU   2          HD23      LEU   2  35.434   8.780   0.449
   25    HA   PRO   3           HA       PRO   3  28.384   7.299  -3.326
   26    HB2  PRO   3           HB2      PRO   3  29.136   4.931  -4.532
   27    HB3  PRO   3           HB1      PRO   3  29.530   6.544  -5.208
   28    HG2  PRO   3           HG2      PRO   3  31.246   4.705  -3.551
   29    HG3  PRO   3           HG1      PRO   3  31.670   5.635  -5.023
   30    HD2  PRO   3           HD2      PRO   3  32.337   6.517  -2.530
   31    HD3  PRO   3           HD1      PRO   3  31.898   7.654  -3.846
   32    H    ILE   4           HN       ILE   4  30.335   5.344  -1.163
   33    HA   ILE   4           HA       ILE   4  28.198   3.375  -0.665
   34    HB   ILE   4           HB       ILE   4  30.678   3.869   1.037
   35   HG12  ILE   4          HG12      ILE   4  30.367   2.181  -1.489
   36   HG13  ILE   4          HG11      ILE   4  31.367   3.642  -1.322
   37   HG21  ILE   4          HG21      ILE   4  28.753   2.333   1.802
   38   HG22  ILE   4          HG22      ILE   4  30.369   1.595   1.734
   39   HG23  ILE   4          HG23      ILE   4  29.191   1.278   0.438
   40   HD11  ILE   4           HD1      ILE   4  32.545   2.376   0.626
   41   HD12  ILE   4           HD2      ILE   4  32.905   1.857  -1.037
   42   HD13  ILE   4           HD3      ILE   4  31.770   0.918  -0.042
   43    H    VAL   5           HN       VAL   5  29.605   6.243   0.918
   44    HA   VAL   5           HA       VAL   5  27.140   6.877   2.235
   45    HB   VAL   5           HB       VAL   5  27.549   5.021   3.719
   46   HG11  VAL   5          HG11      VAL   5  30.089   4.971   3.149
   47   HG12  VAL   5          HG12      VAL   5  29.594   4.516   4.793
   48   HG13  VAL   5          HG13      VAL   5  30.277   6.124   4.488
   49   HG21  VAL   5          HG21      VAL   5  28.526   7.514   5.187
   50   HG22  VAL   5          HG22      VAL   5  27.611   6.143   5.855
   51   HG23  VAL   5          HG23      VAL   5  26.835   7.253   4.702
   52    H    GLY   6           HN       GLY   6  27.587   8.875   1.352
   53    HA2  GLY   6           HA1      GLY   6  30.089  10.262   2.046
   54    HA3  GLY   6           HA2      GLY   6  28.742  10.893   1.080
   55    H    ASN   7           HN       ASN   7  26.588  10.874   2.575
   56    HA   ASN   7           HA       ASN   7  27.179  11.874   5.303
   57    HB2  ASN   7           HB2      ASN   7  27.572  13.879   3.885
   58    HB3  ASN   7           HB1      ASN   7  25.940  13.696   3.197
   59   HD21  ASN   7          HD21      ASN   7  27.388  13.639   6.544
   60   HD22  ASN   7          HD22      ASN   7  26.165  14.714   7.230
   61    H    LEU   8           HN       LEU   8  25.173  10.736   2.773
   62    HA   LEU   8           HA       LEU   8  23.178   9.773   4.638
   63    HB2  LEU   8           HB2      LEU   8  22.553  12.249   4.318
   64    HB3  LEU   8           HB1      LEU   8  22.207  11.836   2.625
   65    HG   LEU   8           HG       LEU   8  20.713   9.906   3.670
   66   HD11  LEU   8          HD11      LEU   8  19.659  10.679   5.840
   67   HD12  LEU   8          HD12      LEU   8  20.962  11.881   5.989
   68   HD13  LEU   8          HD13      LEU   8  21.344  10.144   6.012
   69   HD21  LEU   8          HD21      LEU   8  18.781  11.473   3.777
   70   HD22  LEU   8          HD22      LEU   8  19.823  11.807   2.373
   71   HD23  LEU   8          HD23      LEU   8  19.909  12.849   3.814
   72    H    LEU   9           HN       LEU   9  24.801   8.399   3.046
   73    HA   LEU   9           HA       LEU   9  24.873   6.848   1.334
   74    HB2  LEU   9           HB2      LEU   9  21.875   7.114   1.765
   75    HB3  LEU   9           HB1      LEU   9  22.547   6.000   0.553
   76    HG   LEU   9           HG       LEU   9  23.834   4.831   2.272
   77   HD11  LEU   9          HD11      LEU   9  22.790   7.064   4.056
   78   HD12  LEU   9          HD12      LEU   9  24.470   6.522   3.818
   79   HD13  LEU   9          HD13      LEU   9  23.331   5.509   4.732
   80   HD21  LEU   9          HD21      LEU   9  21.444   4.200   1.890
   81   HD22  LEU   9          HD22      LEU   9  20.966   5.303   3.204
   82   HD23  LEU   9          HD23      LEU   9  21.969   3.877   3.559
   83    H    LYS  10           HN       LYS  10  25.187   9.594   0.653
   84    HA   LYS  10           HA       LYS  10  24.470   9.403  -2.233
   85    HB2  LYS  10           HB2      LYS  10  23.570  11.715  -2.264
   86    HB3  LYS  10           HB1      LYS  10  22.551  10.615  -1.305
   87    HG2  LYS  10           HG2      LYS  10  23.837  11.406   0.755
   88    HG3  LYS  10           HG1      LYS  10  24.555  12.665  -0.274
   89    HD2  LYS  10           HD2      LYS  10  21.581  12.239   0.267
   90    HD3  LYS  10           HD1      LYS  10  22.588  13.568   0.888
   91    HE2  LYS  10           HE2      LYS  10  21.660  13.061  -1.955
   92    HE3  LYS  10           HE1      LYS  10  21.512  14.540  -0.980
   93    HZ1  LYS  10           HZ1      LYS  10  23.799  13.520  -2.489
   94    HZ2  LYS  10           HZ2      LYS  10  24.138  14.306  -1.021
   95    HZ3  LYS  10           HZ3      LYS  10  23.281  15.116  -2.245
   96    H    SER  11           HN       SER  11  25.827  10.544  -3.578
   97    HA   SER  11           HA       SER  11  27.699  12.522  -2.629
   98    HB2  SER  11           HB2      SER  11  28.850  10.742  -1.505
   99    HB3  SER  11           HB1      SER  11  28.696   9.666  -2.913
  100    HG   SER  11           HG       SER  11  30.624  11.416  -2.355
  101    H    LEU  12           HN       LEU  12  25.813  11.558  -4.864
  102    HA   LEU  12           HA       LEU  12  27.551  12.526  -7.075
  103    HB2  LEU  12           HB2      LEU  12  26.683  10.653  -8.561
  104    HB3  LEU  12           HB1      LEU  12  27.911  10.184  -7.368
  105    HG   LEU  12           HG       LEU  12  25.015   9.970  -6.499
  106   HD11  LEU  12          HD11      LEU  12  24.897   9.019  -8.755
  107   HD12  LEU  12          HD12      LEU  12  24.826   7.714  -7.547
  108   HD13  LEU  12          HD13      LEU  12  26.336   8.022  -8.439
  109   HD21  LEU  12          HD21      LEU  12  26.820   9.332  -4.943
  110   HD22  LEU  12          HD22      LEU  12  27.491   8.210  -6.149
  111   HD23  LEU  12          HD23      LEU  12  25.899   7.890  -5.424
  112    H    LEU  13           HN       LEU  13  26.094  14.353  -6.604
  113    HA   LEU  13           HA       LEU  13  23.254  14.127  -7.028
  114    HB2  LEU  13           HB2      LEU  13  25.236  16.426  -7.112
  115    HB3  LEU  13           HB1      LEU  13  23.518  16.677  -7.504
  116    HG   LEU  13           HG       LEU  13  22.848  15.828  -5.308
  117   HD11  LEU  13          HD11      LEU  13  24.758  15.403  -3.610
  118   HD12  LEU  13          HD12      LEU  13  25.822  15.247  -5.029
  119   HD13  LEU  13          HD13      LEU  13  24.451  14.133  -4.814
  120   HD21  LEU  13          HD21      LEU  13  23.581  18.243  -5.617
  121   HD22  LEU  13          HD22      LEU  13  25.163  17.778  -4.949
  122   HD23  LEU  13          HD23      LEU  13  23.700  17.642  -3.946
  Start of MODEL   17
    1    H1   LEU   1           HT1      LEU   1  28.019  12.773  -0.831
    2    H2   LEU   1           HT2      LEU   1  29.548  12.249  -0.306
    3    H3   LEU   1           HT3      LEU   1  28.342  11.115  -0.692
    4    HA   LEU   1           HA       LEU   1  28.358  11.899  -2.983
    5    HB2  LEU   1           HB2      LEU   1  30.921  13.335  -2.209
    6    HB3  LEU   1           HB1      LEU   1  30.020  13.424  -3.741
    7    HG   LEU   1           HG       LEU   1  29.063  14.451  -1.030
    8   HD11  LEU   1          HD11      LEU   1  30.852  15.807  -2.124
    9   HD12  LEU   1          HD12      LEU   1  29.295  16.668  -2.070
   10   HD13  LEU   1          HD13      LEU   1  29.848  15.919  -3.587
   11   HD21  LEU   1          HD21      LEU   1  27.111  13.741  -2.217
   12   HD22  LEU   1          HD22      LEU   1  27.758  14.299  -3.780
   13   HD23  LEU   1          HD23      LEU   1  27.236  15.482  -2.556
   14    H    LEU   2           HN       LEU   2  30.048  10.347  -0.572
   15    HA   LEU   2           HA       LEU   2  32.044   9.091  -2.399
   16    HB2  LEU   2           HB2      LEU   2  31.584   8.454   0.535
   17    HB3  LEU   2           HB1      LEU   2  33.059   8.217  -0.433
   18    HG   LEU   2           HG       LEU   2  31.832  10.881   0.401
   19   HD11  LEU   2          HD11      LEU   2  33.880  11.131   1.708
   20   HD12  LEU   2          HD12      LEU   2  34.524   9.605   1.056
   21   HD13  LEU   2          HD13      LEU   2  33.112   9.584   2.139
   22   HD21  LEU   2          HD21      LEU   2  34.026  11.761  -0.665
   23   HD22  LEU   2          HD22      LEU   2  32.739  11.254  -1.781
   24   HD23  LEU   2          HD23      LEU   2  34.127  10.180  -1.478
   25    HA   PRO   3           HA       PRO   3  29.398   5.566  -3.033
   26    HB2  PRO   3           HB2      PRO   3  31.199   3.606  -3.680
   27    HB3  PRO   3           HB1      PRO   3  30.847   4.983  -4.772
   28    HG2  PRO   3           HG2      PRO   3  33.144   4.612  -2.860
   29    HG3  PRO   3           HG1      PRO   3  33.158   5.210  -4.549
   30    HD2  PRO   3           HD2      PRO   3  33.228   6.905  -2.383
   31    HD3  PRO   3           HD1      PRO   3  32.456   7.356  -3.939
   32    H    ILE   4           HN       ILE   4  30.878   6.162  -0.302
   33    HA   ILE   4           HA       ILE   4  30.020   3.590   0.968
   34    HB   ILE   4           HB       ILE   4  32.642   4.947   1.737
   35   HG12  ILE   4          HG12      ILE   4  32.158   2.554  -0.099
   36   HG13  ILE   4          HG11      ILE   4  32.875   4.114  -0.560
   37   HG21  ILE   4          HG21      ILE   4  31.671   2.107   2.266
   38   HG22  ILE   4          HG22      ILE   4  31.311   3.458   3.369
   39   HG23  ILE   4          HG23      ILE   4  32.998   2.984   3.065
   40   HD11  ILE   4           HD1      ILE   4  34.044   1.947   1.218
   41   HD12  ILE   4           HD2      ILE   4  34.651   3.621   1.281
   42   HD13  ILE   4           HD3      ILE   4  34.750   2.693  -0.234
   43    H    VAL   5           HN       VAL   5  28.301   5.463   1.112
   44    HA   VAL   5           HA       VAL   5  27.144   6.879   2.530
   45    HB   VAL   5           HB       VAL   5  29.073   5.985   4.713
   46   HG11  VAL   5          HG11      VAL   5  26.183   6.960   4.715
   47   HG12  VAL   5          HG12      VAL   5  27.599   7.862   5.305
   48   HG13  VAL   5          HG13      VAL   5  27.069   6.386   6.146
   49   HG21  VAL   5          HG21      VAL   5  26.550   4.657   3.627
   50   HG22  VAL   5          HG22      VAL   5  27.357   4.197   5.145
   51   HG23  VAL   5          HG23      VAL   5  28.201   3.994   3.591
   52    H    GLY   6           HN       GLY   6  27.927   8.721   1.366
   53    HA2  GLY   6           HA1      GLY   6  30.343  10.084   2.250
   54    HA3  GLY   6           HA2      GLY   6  29.103  10.718   1.148
   55    H    ASN   7           HN       ASN   7  26.834  10.568   2.700
   56    HA   ASN   7           HA       ASN   7  27.326  11.861   5.297
   57    HB2  ASN   7           HB2      ASN   7  26.155  13.437   2.966
   58    HB3  ASN   7           HB1      ASN   7  26.085  13.946   4.671
   59   HD21  ASN   7          HD21      ASN   7  28.416  13.828   5.801
   60   HD22  ASN   7          HD22      ASN   7  29.726  14.502   4.829
   61    H    LEU   8           HN       LEU   8  25.281  10.695   2.719
   62    HA   LEU   8           HA       LEU   8  23.407   9.535   4.573
   63    HB2  LEU   8           HB2      LEU   8  22.855  12.166   4.346
   64    HB3  LEU   8           HB1      LEU   8  22.037  11.631   2.866
   65    HG   LEU   8           HG       LEU   8  21.538  10.455   5.645
   66   HD11  LEU   8          HD11      LEU   8  20.793  12.792   5.534
   67   HD12  LEU   8          HD12      LEU   8  19.384  11.705   5.500
   68   HD13  LEU   8          HD13      LEU   8  19.952  12.473   3.998
   69   HD21  LEU   8          HD21      LEU   8  20.164  10.118   2.939
   70   HD22  LEU   8          HD22      LEU   8  19.485   9.545   4.480
   71   HD23  LEU   8          HD23      LEU   8  21.011   8.861   3.874
   72    H    LEU   9           HN       LEU   9  24.933   8.370   2.710
   73    HA   LEU   9           HA       LEU   9  24.775   6.881   0.946
   74    HB2  LEU   9           HB2      LEU   9  22.373   6.608   2.032
   75    HB3  LEU   9           HB1      LEU   9  21.823   7.498   0.597
   76    HG   LEU   9           HG       LEU   9  23.319   5.705  -0.715
   77   HD11  LEU   9          HD11      LEU   9  22.633   4.259   1.889
   78   HD12  LEU   9          HD12      LEU   9  24.269   4.624   1.292
   79   HD13  LEU   9          HD13      LEU   9  23.236   3.477   0.410
   80   HD21  LEU   9          HD21      LEU   9  21.301   4.171  -0.779
   81   HD22  LEU   9          HD22      LEU   9  20.921   5.888  -1.054
   82   HD23  LEU   9          HD23      LEU   9  20.591   5.146   0.530
   83    H    LYS  10           HN       LYS  10  25.189   9.812   0.695
   84    HA   LYS  10           HA       LYS  10  25.154  11.498  -0.919
   85    HB2  LYS  10           HB2      LYS  10  26.234  10.787  -3.025
   86    HB3  LYS  10           HB1      LYS  10  27.029  10.089  -1.603
   87    HG2  LYS  10           HG2      LYS  10  26.009   7.940  -1.964
   88    HG3  LYS  10           HG1      LYS  10  24.907   8.586  -3.200
   89    HD2  LYS  10           HD2      LYS  10  27.910   8.830  -3.603
   90    HD3  LYS  10           HD1      LYS  10  27.108   7.278  -3.927
   91    HE2  LYS  10           HE2      LYS  10  25.530   8.439  -5.479
   92    HE3  LYS  10           HE1      LYS  10  26.405   9.964  -5.201
   93    HZ1  LYS  10           HZ1      LYS  10  28.318   9.128  -6.210
   94    HZ2  LYS  10           HZ2      LYS  10  27.061   8.580  -7.214
   95    HZ3  LYS  10           HZ3      LYS  10  27.800   7.516  -6.114
   96    H    SER  11           HN       SER  11  24.703  11.415  -3.717
   97    HA   SER  11           HA       SER  11  22.039  10.364  -4.238
   98    HB2  SER  11           HB2      SER  11  20.758  12.353  -4.203
   99    HB3  SER  11           HB1      SER  11  21.680  12.403  -2.685
  100    HG   SER  11           HG       SER  11  22.355  13.683  -5.142
  101    H    LEU  12           HN       LEU  12  25.014  11.603  -5.092
  102    HA   LEU  12           HA       LEU  12  26.008  11.722  -7.190
  103    HB2  LEU  12           HB2      LEU  12  23.930  10.108  -7.772
  104    HB3  LEU  12           HB1      LEU  12  23.390  11.526  -8.694
  105    HG   LEU  12           HG       LEU  12  26.065  10.077  -8.980
  106   HD11  LEU  12          HD11      LEU  12  25.225   9.409 -11.153
  107   HD12  LEU  12          HD12      LEU  12  23.781  10.433 -10.967
  108   HD13  LEU  12          HD13      LEU  12  23.986   8.989  -9.946
  109   HD21  LEU  12          HD21      LEU  12  24.973  12.645 -10.202
  110   HD22  LEU  12          HD22      LEU  12  26.232  11.685 -11.015
  111   HD23  LEU  12          HD23      LEU  12  26.540  12.375  -9.407
  112    H    LEU  13           HN       LEU  13  22.794  13.313  -7.052
  113    HA   LEU  13           HA       LEU  13  23.338  15.462  -8.799
  114    HB2  LEU  13           HB2      LEU  13  21.736  15.719  -6.230
  115    HB3  LEU  13           HB1      LEU  13  21.511  16.603  -7.756
  116    HG   LEU  13           HG       LEU  13  21.036  13.628  -7.275
  117   HD11  LEU  13          HD11      LEU  13  19.289  15.208  -6.442
  118   HD12  LEU  13          HD12      LEU  13  18.704  14.195  -7.783
  119   HD13  LEU  13          HD13      LEU  13  19.156  15.891  -8.080
  120   HD21  LEU  13          HD21      LEU  13  21.091  15.303  -9.819
  121   HD22  LEU  13          HD22      LEU  13  20.131  13.807  -9.711
  122   HD23  LEU  13          HD23      LEU  13  21.895  13.747  -9.499
  Start of MODEL   18
    1    H1   LEU   1           HT1      LEU   1  30.332  13.279  -0.550
    2    H2   LEU   1           HT2      LEU   1  29.127  12.139  -0.179
    3    H3   LEU   1           HT3      LEU   1  28.711  13.764  -0.451
    4    HA   LEU   1           HA       LEU   1  28.125  12.511  -2.349
    5    HB2  LEU   1           HB2      LEU   1  30.706  13.958  -3.033
    6    HB3  LEU   1           HB1      LEU   1  29.213  13.833  -3.994
    7    HG   LEU   1           HG       LEU   1  29.550  15.338  -1.360
    8   HD11  LEU   1          HD11      LEU   1  30.566  16.470  -3.301
    9   HD12  LEU   1          HD12      LEU   1  29.089  17.322  -2.793
   10   HD13  LEU   1          HD13      LEU   1  29.059  16.267  -4.226
   11   HD21  LEU   1          HD21      LEU   1  27.131  14.767  -3.125
   12   HD22  LEU   1          HD22      LEU   1  27.178  16.151  -2.005
   13   HD23  LEU   1          HD23      LEU   1  27.307  14.493  -1.376
   14    H    LEU   2           HN       LEU   2  29.711  10.674  -0.706
   15    HA   LEU   2           HA       LEU   2  31.694   9.531  -2.602
   16    HB2  LEU   2           HB2      LEU   2  30.801   8.924   0.235
   17    HB3  LEU   2           HB1      LEU   2  31.806   7.770  -0.667
   18    HG   LEU   2           HG       LEU   2  33.546   9.459  -0.986
   19   HD11  LEU   2          HD11      LEU   2  31.496  11.294   0.321
   20   HD12  LEU   2          HD12      LEU   2  32.331  11.500  -1.238
   21   HD13  LEU   2          HD13      LEU   2  33.231  11.694   0.284
   22   HD21  LEU   2          HD21      LEU   2  33.465   8.142   1.153
   23   HD22  LEU   2          HD22      LEU   2  32.575   9.486   1.907
   24   HD23  LEU   2          HD23      LEU   2  34.246   9.729   1.343
   25    HA   PRO   3           HA       PRO   3  28.804   6.652  -4.351
   26    HB2  PRO   3           HB2      PRO   3  30.405   4.531  -5.031
   27    HB3  PRO   3           HB1      PRO   3  30.481   6.108  -5.879
   28    HG2  PRO   3           HG2      PRO   3  32.256   5.039  -3.692
   29    HG3  PRO   3           HG1      PRO   3  32.703   5.884  -5.208
   30    HD2  PRO   3           HD2      PRO   3  32.572   7.183  -2.797
   31    HD3  PRO   3           HD1      PRO   3  32.180   7.998  -4.345
   32    H    ILE   4           HN       ILE   4  29.294   6.617  -1.365
   33    HA   ILE   4           HA       ILE   4  27.996   4.005  -0.866
   34    HB   ILE   4           HB       ILE   4  29.687   3.770   1.192
   35   HG12  ILE   4          HG12      ILE   4  31.460   5.138  -0.886
   36   HG13  ILE   4          HG11      ILE   4  30.801   5.991   0.523
   37   HG21  ILE   4          HG21      ILE   4  31.075   2.252  -0.128
   38   HG22  ILE   4          HG22      ILE   4  30.601   3.066  -1.635
   39   HG23  ILE   4          HG23      ILE   4  29.400   2.140  -0.706
   40   HD11  ILE   4           HD1      ILE   4  31.875   4.055   1.926
   41   HD12  ILE   4           HD2      ILE   4  32.945   5.300   1.248
   42   HD13  ILE   4           HD3      ILE   4  32.811   3.719   0.451
   43    H    VAL   5           HN       VAL   5  29.605   5.595   1.758
   44    HA   VAL   5           HA       VAL   5  27.009   6.928   2.543
   45    HB   VAL   5           HB       VAL   5  27.977   6.588   4.944
   46   HG11  VAL   5          HG11      VAL   5  27.024   4.314   5.073
   47   HG12  VAL   5          HG12      VAL   5  27.134   4.156   3.304
   48   HG13  VAL   5          HG13      VAL   5  26.027   5.349   4.024
   49   HG21  VAL   5          HG21      VAL   5  29.556   4.761   5.218
   50   HG22  VAL   5          HG22      VAL   5  30.266   5.911   4.062
   51   HG23  VAL   5          HG23      VAL   5  29.522   4.405   3.475
   52    H    GLY   6           HN       GLY   6  27.895   8.764   1.280
   53    HA2  GLY   6           HA1      GLY   6  30.298  10.086   2.239
   54    HA3  GLY   6           HA2      GLY   6  29.085  10.756   1.129
   55    H    ASN   7           HN       ASN   7  26.787  10.707   2.591
   56    HA   ASN   7           HA       ASN   7  27.313  11.991   5.217
   57    HB2  ASN   7           HB2      ASN   7  26.020  14.034   4.580
   58    HB3  ASN   7           HB1      ASN   7  27.567  13.897   3.710
   59   HD21  ASN   7          HD21      ASN   7  25.339  15.448   2.694
   60   HD22  ASN   7          HD22      ASN   7  24.775  14.649   1.222
   61    H    LEU   8           HN       LEU   8  25.237  10.686   2.731
   62    HA   LEU   8           HA       LEU   8  23.446   9.547   4.670
   63    HB2  LEU   8           HB2      LEU   8  22.738  12.029   4.638
   64    HB3  LEU   8           HB1      LEU   8  22.185  11.732   2.977
   65    HG   LEU   8           HG       LEU   8  20.900   9.667   4.064
   66   HD11  LEU   8          HD11      LEU   8  21.348  11.516   6.455
   67   HD12  LEU   8          HD12      LEU   8  21.827   9.809   6.321
   68   HD13  LEU   8          HD13      LEU   8  20.108  10.246   6.388
   69   HD21  LEU   8          HD21      LEU   8  20.018  12.557   4.496
   70   HD22  LEU   8          HD22      LEU   8  18.944  11.138   4.501
   71   HD23  LEU   8          HD23      LEU   8  19.795  11.606   3.009
   72    H    LEU   9           HN       LEU   9  24.943   8.429   2.720
   73    HA   LEU   9           HA       LEU   9  24.673   6.824   1.070
   74    HB2  LEU   9           HB2      LEU   9  22.189   6.843   2.174
   75    HB3  LEU   9           HB1      LEU   9  21.764   7.453   0.562
   76    HG   LEU   9           HG       LEU   9  23.339   4.888   1.105
   77   HD11  LEU   9          HD11      LEU   9  21.037   4.635   1.860
   78   HD12  LEU   9          HD12      LEU   9  21.219   3.788   0.305
   79   HD13  LEU   9          HD13      LEU   9  20.422   5.379   0.364
   80   HD21  LEU   9          HD21      LEU   9  22.838   4.464  -1.318
   81   HD22  LEU   9          HD22      LEU   9  23.881   5.885  -1.072
   82   HD23  LEU   9          HD23      LEU   9  22.150   6.099  -1.433
   83    H    LYS  10           HN       LYS  10  25.586   9.417   0.545
   84    HA   LYS  10           HA       LYS  10  26.053  10.784  -1.265
   85    HB2  LYS  10           HB2      LYS  10  26.204   8.435  -2.354
   86    HB3  LYS  10           HB1      LYS  10  24.609   8.793  -3.052
   87    HG2  LYS  10           HG2      LYS  10  25.512  10.835  -4.109
   88    HG3  LYS  10           HG1      LYS  10  27.105  10.519  -3.381
   89    HD2  LYS  10           HD2      LYS  10  27.065   8.255  -4.575
   90    HD3  LYS  10           HD1      LYS  10  25.644   8.850  -5.467
   91    HE2  LYS  10           HE2      LYS  10  27.542   9.333  -6.854
   92    HE3  LYS  10           HE1      LYS  10  27.070  10.883  -6.116
   93    HZ1  LYS  10           HZ1      LYS  10  29.063  11.023  -5.191
   94    HZ2  LYS  10           HZ2      LYS  10  29.533   9.577  -5.951
   95    HZ3  LYS  10           HZ3      LYS  10  28.849   9.541  -4.396
   96    H    SER  11           HN       SER  11  25.098  12.262  -2.844
   97    HA   SER  11           HA       SER  11  22.173  12.346  -3.077
   98    HB2  SER  11           HB2      SER  11  22.490  13.256  -0.791
   99    HB3  SER  11           HB1      SER  11  23.601  14.482  -1.442
  100    HG   SER  11           HG       SER  11  21.933  15.405  -2.530
  101    H    LEU  12           HN       LEU  12  23.842  12.104  -5.118
  102    HA   LEU  12           HA       LEU  12  25.021  14.462  -6.169
  103    HB2  LEU  12           HB2      LEU  12  25.221  12.063  -7.032
  104    HB3  LEU  12           HB1      LEU  12  23.638  12.303  -7.800
  105    HG   LEU  12           HG       LEU  12  24.752  14.481  -8.827
  106   HD11  LEU  12          HD11      LEU  12  26.855  14.464  -7.594
  107   HD12  LEU  12          HD12      LEU  12  27.207  14.087  -9.293
  108   HD13  LEU  12          HD13      LEU  12  27.182  12.786  -8.082
  109   HD21  LEU  12          HD21      LEU  12  25.542  11.681  -9.753
  110   HD22  LEU  12          HD22      LEU  12  25.563  13.151 -10.758
  111   HD23  LEU  12          HD23      LEU  12  24.019  12.515 -10.141
  112    H    LEU  13           HN       LEU  13  21.673  13.385  -6.042
  113    HA   LEU  13           HA       LEU  13  20.743  16.047  -6.732
  114    HB2  LEU  13           HB2      LEU  13  21.398  14.795  -8.980
  115    HB3  LEU  13           HB1      LEU  13  19.856  13.948  -8.734
  116    HG   LEU  13           HG       LEU  13  20.230  16.977  -8.864
  117   HD11  LEU  13          HD11      LEU  13  18.880  15.058 -10.813
  118   HD12  LEU  13          HD12      LEU  13  20.509  15.740 -11.034
  119   HD13  LEU  13          HD13      LEU  13  19.089  16.812 -11.018
  120   HD21  LEU  13          HD21      LEU  13  18.361  16.585  -7.436
  121   HD22  LEU  13          HD22      LEU  13  17.816  15.183  -8.388
  122   HD23  LEU  13          HD23      LEU  13  17.639  16.829  -9.041
  Start of MODEL   19
    1    H1   LEU   1           HT1      LEU   1  30.526   8.349   6.763
    2    H2   LEU   1           HT2      LEU   1  30.325   8.526   5.085
    3    H3   LEU   1           HT3      LEU   1  29.993   9.827   6.127
    4    HA   LEU   1           HA       LEU   1  32.036  10.293   5.148
    5    HB2  LEU   1           HB2      LEU   1  32.753   9.049   7.824
    6    HB3  LEU   1           HB1      LEU   1  33.416  10.517   7.069
    7    HG   LEU   1           HG       LEU   1  30.574  10.148   8.116
    8   HD11  LEU   1          HD11      LEU   1  32.811  12.000   9.043
    9   HD12  LEU   1          HD12      LEU   1  32.420  10.444   9.815
   10   HD13  LEU   1          HD13      LEU   1  31.224  11.763   9.814
   11   HD21  LEU   1          HD21      LEU   1  31.946  12.413   6.610
   12   HD22  LEU   1          HD22      LEU   1  30.512  12.691   7.629
   13   HD23  LEU   1          HD23      LEU   1  30.407  11.607   6.225
   14    H    LEU   2           HN       LEU   2  31.306   7.614   4.224
   15    HA   LEU   2           HA       LEU   2  34.074   6.443   4.066
   16    HB2  LEU   2           HB2      LEU   2  31.470   4.869   4.174
   17    HB3  LEU   2           HB1      LEU   2  33.113   4.201   4.123
   18    HG   LEU   2           HG       LEU   2  32.110   6.009   6.369
   19   HD11  LEU   2          HD11      LEU   2  32.256   2.964   6.247
   20   HD12  LEU   2          HD12      LEU   2  30.765   3.937   6.275
   21   HD13  LEU   2          HD13      LEU   2  31.849   3.928   7.687
   22   HD21  LEU   2          HD21      LEU   2  34.511   5.991   6.317
   23   HD22  LEU   2          HD22      LEU   2  34.568   4.251   5.952
   24   HD23  LEU   2          HD23      LEU   2  34.060   4.808   7.562
   25    HA   PRO   3           HA       PRO   3  33.883   6.703  -0.373
   26    HB2  PRO   3           HB2      PRO   3  34.096   3.679  -0.237
   27    HB3  PRO   3           HB1      PRO   3  34.926   4.824  -1.343
   28    HG2  PRO   3           HG2      PRO   3  36.177   3.828   0.808
   29    HG3  PRO   3           HG1      PRO   3  36.423   5.523   0.289
   30    HD2  PRO   3           HD2      PRO   3  34.942   4.488   2.674
   31    HD3  PRO   3           HD1      PRO   3  35.661   6.107   2.394
   32    H    ILE   4           HN       ILE   4  32.073   3.978   1.103
   33    HA   ILE   4           HA       ILE   4  30.105   3.867  -1.025
   34    HB   ILE   4           HB       ILE   4  29.724   2.894   1.837
   35   HG12  ILE   4          HG12      ILE   4  31.162   1.541  -0.494
   36   HG13  ILE   4          HG11      ILE   4  31.917   2.113   1.012
   37   HG21  ILE   4          HG21      ILE   4  28.756   1.688  -0.788
   38   HG22  ILE   4          HG22      ILE   4  27.809   2.898   0.110
   39   HG23  ILE   4          HG23      ILE   4  28.190   1.332   0.861
   40   HD11  ILE   4           HD1      ILE   4  31.588  -0.209   1.382
   41   HD12  ILE   4           HD2      ILE   4  29.978  -0.191   0.625
   42   HD13  ILE   4           HD3      ILE   4  30.219   0.553   2.226
   43    H    VAL   5           HN       VAL   5  29.732   4.795   2.430
   44    HA   VAL   5           HA       VAL   5  27.271   6.257   1.827
   45    HB   VAL   5           HB       VAL   5  28.804   6.615   4.427
   46   HG11  VAL   5          HG11      VAL   5  25.855   5.998   3.985
   47   HG12  VAL   5          HG12      VAL   5  26.491   7.650   3.836
   48   HG13  VAL   5          HG13      VAL   5  26.629   6.781   5.383
   49   HG21  VAL   5          HG21      VAL   5  27.721   4.431   5.183
   50   HG22  VAL   5          HG22      VAL   5  29.086   4.252   4.056
   51   HG23  VAL   5          HG23      VAL   5  27.415   4.079   3.465
   52    H    GLY   6           HN       GLY   6  28.108   8.349   3.907
   53    HA2  GLY   6           HA1      GLY   6  30.055  10.078   3.492
   54    HA3  GLY   6           HA2      GLY   6  29.255  10.263   1.915
   55    H    ASN   7           HN       ASN   7  27.357  11.366   1.730
   56    HA   ASN   7           HA       ASN   7  26.532  12.898   4.181
   57    HB2  ASN   7           HB2      ASN   7  27.182  14.119   2.048
   58    HB3  ASN   7           HB1      ASN   7  25.757  13.387   1.277
   59   HD21  ASN   7          HD21      ASN   7  25.032  15.745   1.066
   60   HD22  ASN   7          HD22      ASN   7  24.220  16.469   2.457
   61    H    LEU   8           HN       LEU   8  25.810  10.332   4.331
   62    HA   LEU   8           HA       LEU   8  23.959   9.015   4.740
   63    HB2  LEU   8           HB2      LEU   8  22.158  11.285   3.814
   64    HB3  LEU   8           HB1      LEU   8  21.770   9.946   4.912
   65    HG   LEU   8           HG       LEU   8  23.639  12.292   5.466
   66   HD11  LEU   8          HD11      LEU   8  21.130  11.315   6.892
   67   HD12  LEU   8          HD12      LEU   8  21.152  12.627   5.688
   68   HD13  LEU   8          HD13      LEU   8  22.038  12.810   7.222
   69   HD21  LEU   8          HD21      LEU   8  24.725  10.412   6.478
   70   HD22  LEU   8          HD22      LEU   8  23.176   9.683   6.969
   71   HD23  LEU   8          HD23      LEU   8  23.771  11.150   7.786
   72    H    LEU   9           HN       LEU   9  24.999   7.988   2.858
   73    HA   LEU   9           HA       LEU   9  24.764   6.824   0.875
   74    HB2  LEU   9           HB2      LEU   9  21.871   7.760   0.773
   75    HB3  LEU   9           HB1      LEU   9  22.580   6.316   0.023
   76    HG   LEU   9           HG       LEU   9  22.482   6.778   3.040
   77   HD11  LEU   9          HD11      LEU   9  20.614   5.133   3.010
   78   HD12  LEU   9          HD12      LEU   9  20.638   5.161   1.230
   79   HD13  LEU   9          HD13      LEU   9  20.200   6.627   2.138
   80   HD21  LEU   9          HD21      LEU   9  23.187   4.411   1.250
   81   HD22  LEU   9          HD22      LEU   9  22.811   4.231   2.980
   82   HD23  LEU   9          HD23      LEU   9  24.211   5.199   2.472
   83    H    LYS  10           HN       LYS  10  25.190   9.872   1.121
   84    HA   LYS  10           HA       LYS  10  25.324  11.706  -0.320
   85    HB2  LYS  10           HB2      LYS  10  27.182  10.278  -1.057
   86    HB3  LYS  10           HB1      LYS  10  26.106   9.451  -2.208
   87    HG2  LYS  10           HG2      LYS  10  25.844  11.413  -3.545
   88    HG3  LYS  10           HG1      LYS  10  26.492  12.470  -2.269
   89    HD2  LYS  10           HD2      LYS  10  28.145  12.075  -4.098
   90    HD3  LYS  10           HD1      LYS  10  28.721  11.473  -2.527
   91    HE2  LYS  10           HE2      LYS  10  27.254   9.644  -4.462
   92    HE3  LYS  10           HE1      LYS  10  29.006   9.922  -4.599
   93    HZ1  LYS  10           HZ1      LYS  10  28.609   9.455  -1.939
   94    HZ2  LYS  10           HZ2      LYS  10  29.209   8.339  -3.073
   95    HZ3  LYS  10           HZ3      LYS  10  27.555   8.356  -2.686
   96    H    SER  11           HN       SER  11  24.559   9.641  -3.074
   97    HA   SER  11           HA       SER  11  22.939   9.955  -4.715
   98    HB2  SER  11           HB2      SER  11  20.614   9.798  -3.868
   99    HB3  SER  11           HB1      SER  11  21.691   8.629  -3.073
  100    HG   SER  11           HG       SER  11  20.681  11.095  -2.092
  101    H    LEU  12           HN       LEU  12  24.221  12.428  -3.497
  102    HA   LEU  12           HA       LEU  12  23.972  14.730  -3.662
  103    HB2  LEU  12           HB2      LEU  12  21.838  14.185  -5.752
  104    HB3  LEU  12           HB1      LEU  12  22.971  15.554  -5.656
  105    HG   LEU  12           HG       LEU  12  23.685  12.641  -6.215
  106   HD11  LEU  12          HD11      LEU  12  24.385  13.543  -8.416
  107   HD12  LEU  12          HD12      LEU  12  23.843  15.165  -7.923
  108   HD13  LEU  12          HD13      LEU  12  22.658  13.851  -8.117
  109   HD21  LEU  12          HD21      LEU  12  25.383  15.123  -5.727
  110   HD22  LEU  12          HD22      LEU  12  25.997  13.736  -6.660
  111   HD23  LEU  12          HD23      LEU  12  25.518  13.522  -4.961
  112    H    LEU  13           HN       LEU  13  22.613  13.689  -1.539
  113    HA   LEU  13           HA       LEU  13  19.841  14.231  -1.398
  114    HB2  LEU  13           HB2      LEU  13  20.930  13.025   0.378
  115    HB3  LEU  13           HB1      LEU  13  22.041  14.372   0.699
  116    HG   LEU  13           HG       LEU  13  20.248  15.747   1.576
  117   HD11  LEU  13          HD11      LEU  13  17.887  14.681   1.719
  118   HD12  LEU  13          HD12      LEU  13  18.455  13.549   0.469
  119   HD13  LEU  13          HD13      LEU  13  18.402  15.296   0.132
  120   HD21  LEU  13          HD21      LEU  13  19.795  12.921   2.626
  121   HD22  LEU  13          HD22      LEU  13  19.608  14.452   3.517
  122   HD23  LEU  13          HD23      LEU  13  21.227  13.900   3.025
  Start of MODEL   20
    1    H1   LEU   1           HT1      LEU   1  33.444  12.417  -1.299
    2    H2   LEU   1           HT2      LEU   1  33.017  13.120   0.186
    3    H3   LEU   1           HT3      LEU   1  32.232  13.599  -1.241
    4    HA   LEU   1           HA       LEU   1  31.288  11.836   0.494
    5    HB2  LEU   1           HB2      LEU   1  29.643  11.327  -1.174
    6    HB3  LEU   1           HB1      LEU   1  30.148  13.008  -1.435
    7    HG   LEU   1           HG       LEU   1  31.086  10.567  -3.021
    8   HD11  LEU   1          HD11      LEU   1  28.752  11.448  -3.435
    9   HD12  LEU   1          HD12      LEU   1  29.834  11.546  -4.845
   10   HD13  LEU   1          HD13      LEU   1  29.484  13.006  -3.889
   11   HD21  LEU   1          HD21      LEU   1  32.966  12.033  -3.007
   12   HD22  LEU   1          HD22      LEU   1  31.945  13.490  -3.030
   13   HD23  LEU   1          HD23      LEU   1  32.097  12.482  -4.488
   14    H    LEU   2           HN       LEU   2  30.999   9.616   0.687
   15    HA   LEU   2           HA       LEU   2  33.265   8.021  -0.436
   16    HB2  LEU   2           HB2      LEU   2  31.361   7.745   1.903
   17    HB3  LEU   2           HB1      LEU   2  32.169   6.293   1.272
   18    HG   LEU   2           HG       LEU   2  34.369   7.321   1.624
   19   HD11  LEU   2          HD11      LEU   2  32.705   9.729   2.466
   20   HD12  LEU   2          HD12      LEU   2  33.934   9.644   1.182
   21   HD13  LEU   2          HD13      LEU   2  34.424   9.549   2.889
   22   HD21  LEU   2          HD21      LEU   2  34.291   7.517   4.117
   23   HD22  LEU   2          HD22      LEU   2  33.361   6.120   3.521
   24   HD23  LEU   2          HD23      LEU   2  32.515   7.601   4.034
   25    HA   PRO   3           HA       PRO   3  30.567   5.958  -3.283
   26    HB2  PRO   3           HB2      PRO   3  31.765   3.522  -3.601
   27    HB3  PRO   3           HB1      PRO   3  32.525   5.042  -4.179
   28    HG2  PRO   3           HG2      PRO   3  33.045   3.506  -1.637
   29    HG3  PRO   3           HG1      PRO   3  34.217   4.204  -2.801
   30    HD2  PRO   3           HD2      PRO   3  33.528   5.484  -0.470
   31    HD3  PRO   3           HD1      PRO   3  33.958   6.377  -1.967
   32    H    ILE   4           HN       ILE   4  30.105   5.666  -0.221
   33    HA   ILE   4           HA       ILE   4  28.015   3.605  -0.502
   34    HB   ILE   4           HB       ILE   4  28.785   2.373   1.587
   35   HG12  ILE   4          HG12      ILE   4  31.340   3.939   0.986
   36   HG13  ILE   4          HG11      ILE   4  30.365   4.017   2.470
   37   HG21  ILE   4          HG21      ILE   4  29.134   1.596  -0.848
   38   HG22  ILE   4          HG22      ILE   4  30.197   0.870   0.375
   39   HG23  ILE   4          HG23      ILE   4  30.810   2.166  -0.678
   40   HD11  ILE   4           HD1      ILE   4  30.819   1.463   2.675
   41   HD12  ILE   4           HD2      ILE   4  32.159   2.575   3.040
   42   HD13  ILE   4           HD3      ILE   4  32.103   1.738   1.472
   43    H    VAL   5           HN       VAL   5  29.803   5.823   1.686
   44    HA   VAL   5           HA       VAL   5  27.178   6.840   2.659
   45    HB   VAL   5           HB       VAL   5  29.296   5.814   4.607
   46   HG11  VAL   5          HG11      VAL   5  28.127   7.749   5.489
   47   HG12  VAL   5          HG12      VAL   5  27.435   6.308   6.266
   48   HG13  VAL   5          HG13      VAL   5  26.558   7.114   4.944
   49   HG21  VAL   5          HG21      VAL   5  26.578   4.707   3.770
   50   HG22  VAL   5          HG22      VAL   5  27.433   4.193   5.242
   51   HG23  VAL   5          HG23      VAL   5  28.159   3.899   3.647
   52    H    GLY   6           HN       GLY   6  27.920   8.691   1.435
   53    HA2  GLY   6           HA1      GLY   6  30.362  10.057   2.308
   54    HA3  GLY   6           HA2      GLY   6  29.158  10.652   1.147
   55    H    ASN   7           HN       ASN   7  26.832  10.609   2.603
   56    HA   ASN   7           HA       ASN   7  27.300  12.019   5.170
   57    HB2  ASN   7           HB2      ASN   7  27.581  13.832   3.503
   58    HB3  ASN   7           HB1      ASN   7  25.994  13.431   2.802
   59   HD21  ASN   7          HD21      ASN   7  27.641  15.071   5.447
   60   HD22  ASN   7          HD22      ASN   7  26.176  15.652   6.246
   61    H    LEU   8           HN       LEU   8  25.258  10.682   2.669
   62    HA   LEU   8           HA       LEU   8  23.430   9.543   4.572
   63    HB2  LEU   8           HB2      LEU   8  22.719  12.015   4.577
   64    HB3  LEU   8           HB1      LEU   8  22.238  11.775   2.883
   65    HG   LEU   8           HG       LEU   8  20.892   9.687   3.847
   66   HD11  LEU   8          HD11      LEU   8  20.005  10.191   6.148
   67   HD12  LEU   8          HD12      LEU   8  21.230  11.469   6.308
   68   HD13  LEU   8          HD13      LEU   8  21.731   9.770   6.148
   69   HD21  LEU   8          HD21      LEU   8  19.849  11.668   2.803
   70   HD22  LEU   8          HD22      LEU   8  20.013  12.572   4.327
   71   HD23  LEU   8          HD23      LEU   8  18.928  11.163   4.240
   72    H    LEU   9           HN       LEU   9  24.898   8.348   2.717
   73    HA   LEU   9           HA       LEU   9  24.741   6.873   0.948
   74    HB2  LEU   9           HB2      LEU   9  22.410   6.478   2.069
   75    HB3  LEU   9           HB1      LEU   9  21.766   7.454   0.731
   76    HG   LEU   9           HG       LEU   9  23.214   5.794  -0.786
   77   HD11  LEU   9          HD11      LEU   9  23.220   3.485   0.181
   78   HD12  LEU   9          HD12      LEU   9  22.728   4.162   1.750
   79   HD13  LEU   9          HD13      LEU   9  24.310   4.583   1.056
   80   HD21  LEU   9          HD21      LEU   9  20.775   5.972  -0.921
   81   HD22  LEU   9          HD22      LEU   9  20.592   5.015   0.568
   82   HD23  LEU   9          HD23      LEU   9  21.238   4.253  -0.905
   83    H    LYS  10           HN       LYS  10  25.423   9.585   0.537
   84    HA   LYS  10           HA       LYS  10  25.734  11.073  -1.213
   85    HB2  LYS  10           HB2      LYS  10  24.565   8.944  -3.039
   86    HB3  LYS  10           HB1      LYS  10  25.721  10.231  -3.454
   87    HG2  LYS  10           HG2      LYS  10  27.319   9.173  -1.755
   88    HG3  LYS  10           HG1      LYS  10  26.204   7.787  -1.705
   89    HD2  LYS  10           HD2      LYS  10  27.638   8.874  -4.171
   90    HD3  LYS  10           HD1      LYS  10  27.994   7.348  -3.328
   91    HE2  LYS  10           HE2      LYS  10  25.561   8.073  -4.991
   92    HE3  LYS  10           HE1      LYS  10  26.641   6.670  -5.150
   93    HZ1  LYS  10           HZ1      LYS  10  24.900   5.712  -4.073
   94    HZ2  LYS  10           HZ2      LYS  10  24.444   7.133  -3.262
   95    HZ3  LYS  10           HZ3      LYS  10  25.776   6.231  -2.717
   96    H    SER  11           HN       SER  11  24.639  12.507  -2.717
   97    HA   SER  11           HA       SER  11  21.768  12.259  -3.115
   98    HB2  SER  11           HB2      SER  11  21.042  14.096  -1.693
   99    HB3  SER  11           HB1      SER  11  21.852  12.875  -0.689
  100    HG   SER  11           HG       SER  11  23.061  15.221  -1.770
  101    H    LEU  12           HN       LEU  12  24.803  13.464  -3.761
  102    HA   LEU  12           HA       LEU  12  25.605  15.046  -5.260
  103    HB2  LEU  12           HB2      LEU  12  22.870  14.926  -6.574
  104    HB3  LEU  12           HB1      LEU  12  24.452  15.219  -7.335
  105    HG   LEU  12           HG       LEU  12  23.507  12.617  -6.052
  106   HD11  LEU  12          HD11      LEU  12  24.156  13.391  -8.932
  107   HD12  LEU  12          HD12      LEU  12  22.534  13.072  -8.273
  108   HD13  LEU  12          HD13      LEU  12  23.727  11.755  -8.378
  109   HD21  LEU  12          HD21      LEU  12  25.734  11.788  -7.107
  110   HD22  LEU  12          HD22      LEU  12  25.850  12.733  -5.606
  111   HD23  LEU  12          HD23      LEU  12  26.197  13.505  -7.172
  112    H    LEU  13           HN       LEU  13  24.615  16.116  -2.871
  113    HA   LEU  13           HA       LEU  13  23.900  18.125  -1.952
  114    HB2  LEU  13           HB2      LEU  13  24.444  19.373  -4.668
  115    HB3  LEU  13           HB1      LEU  13  24.620  20.104  -3.055
  116    HG   LEU  13           HG       LEU  13  26.305  17.822  -4.184
  117   HD11  LEU  13          HD11      LEU  13  26.810  20.028  -5.177
  118   HD12  LEU  13          HD12      LEU  13  28.127  19.504  -4.102
  119   HD13  LEU  13          HD13      LEU  13  26.964  20.733  -3.550
  120   HD21  LEU  13          HD21      LEU  13  26.231  19.215  -1.474
  121   HD22  LEU  13          HD22      LEU  13  27.679  18.358  -2.056
  122   HD23  LEU  13          HD23      LEU  13  26.156  17.470  -1.820