*HEADER    ANTIBIOTIC                              25-APR-13   2M7J              
*TITLE     SOLUTION STRUCTURE OF A BETA-HAIRPIN PEPTIDOMIMETIC ANTIBIOTIC THAT   
*TITLE    2 TARGET LPTD IN PSEUDOMONAS SP.                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BETA-HAIRPIN PEPTIDOMIMETIC ANTIBIOTIC TWLKKRRWKKAK(DPR)P; 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PEPTIDOMIMETICS, BETA-HAIRPIN, ANTIBIOTIC                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.MOEHLE, J.SCHMIDT, J.ROBINSON                                       
*REVDAT   1   11-SEP-13 2M7J    0                                                


 

 INTRARESIDUAL NOE UPPER-DISTANCE LIMITS 

  1 THR  HN      1 THR  HB      3.33                
  1 THR  HA      1 THR  HB      2.40                
  2 TRP  HN      2 TRP  HB2     3.24                
  2 TRP  HN      2 TRP  HB3     3.24                
  2 TRP  HN      2 TRP  QB      3.05                
  2 TRP  HN      2 TRP  HD1     5.04                
  2 TRP  HA      2 TRP  HD1     5.41                
  2 TRP  HA      2 TRP  HE3     5.25                
  3 LEU  HN      3 LEU  HG      4.32                
  3 LEU  HN      3 LEU  QD1     6.53                
  3 LEU  HN      3 LEU  QD2     6.53                
  3 LEU  HA      3 LEU  HG      2.90                
  3 LEU  HA      3 LEU  QD1     6.19                
  3 LEU  HA      3 LEU  QD2     6.19                
  6 ARG  HA      6 ARG  QD      6.38                
  7 ARG+ HA      7 ARG+ HG2     4.20                
  7 ARG+ HA      7 ARG+ HG3     4.20                
  7 ARG+ HA      7 ARG+ QD      6.38                
  8 TRP  HN      8 TRP  HB2     3.48                
  8 TRP  HN      8 TRP  HB3     3.48                
  8 TRP  HN      8 TRP  QB      3.25                
  8 TRP  HA      8 TRP  HD1     4.97                
  8 TRP  HA      8 TRP  HE3     5.10                
  8 TRP  HB2     8 TRP  HE3     3.89                
  8 TRP  HB3     8 TRP  HE3     3.89                
  9 LYS+ HN      9 LYS+ HB2     3.39                
  9 LYS+ HN      9 LYS+ HB3     3.39                
  9 LYS+ HN      9 LYS+ QB      3.21                
  9 LYS+ HN      9 LYS+ QG      5.94                
  9 LYS+ HA      9 LYS+ QE      6.38                
 10 LYS+ HN     10 LYS+ HB2     3.08                
 10 LYS+ HN     10 LYS+ HB3     3.08                
 10 LYS+ HN     10 LYS+ QG      5.91                
 12 LYS+ HN     12 LYS+ HB2     3.21                
 12 LYS+ HN     12 LYS+ HB3     3.21                
 12 LYS+ HN     12 LYS+ HG2     5.19                
 12 LYS+ HN     12 LYS+ HG3     5.19                
 12 LYS+ HN     12 LYS+ QG      4.68                
 12 LYS+ HA     12 LYS+ QE      6.38                
SUMME = 39
 

 SEQUENTIAL NOE UPPER-DISTANCE LIMITS 

  1 THR  HN     14 PRO  HA      3.17                
  1 THR  HN     14 PRO  HB2     5.50                
  1 THR  HN     14 PRO  HB3     5.50                
  1 THR  HN     14 PRO  QB      4.71                
  1 THR  HN     14 PRO  HG2     4.63                
  1 THR  HN     14 PRO  HG3     4.63                
  1 THR  HN     14 PRO  QG      4.33                
  1 THR  HN     14 PRO  HD2     5.50                
  1 THR  HN     14 PRO  HD3     5.50                
  1 THR  HN     14 PRO  QD      5.12                
  1 THR  HA      2 TRP  HN      3.20                
  1 THR  HB      2 TRP  HN      3.60                
  1 THR  QG2     2 TRP  HD1     6.03                
  2 TRP  HB2     3 LEU  HN      3.83                
  2 TRP  HB3     3 LEU  HN      3.83                
  2 TRP  QB      3 LEU  HN      3.60                
  3 LEU  QB      4 LYS+ HN      4.70                
  3 LEU  QD1     4 LYS+ HN      6.53                
  3 LEU  QD2     4 LYS+ HN      6.53                
  6 ARG  HA      7 ARG+ HN      3.30                
  7 ARG+ HN      8 TRP  HN      3.80                
  7 ARG+ HA      8 TRP  HN      3.30                
  7 ARG+ HB2     8 TRP  HN      3.67                
  7 ARG+ HB2     8 TRP  HD1     5.50                
  7 ARG+ HB3     8 TRP  HN      3.67                
  7 ARG+ HB3     8 TRP  HD1     5.50                
  7 ARG+ QB      8 TRP  HN      3.45                
  7 ARG+ QB      8 TRP  HD1     5.35                
  7 ARG+ HG2     8 TRP  HN      5.44                
  7 ARG+ HG3     8 TRP  HN      5.44                
  7 ARG+ QG      8 TRP  HN      5.12                
  8 TRP  HB2     9 LYS+ HN      4.45                
  8 TRP  HB3     9 LYS+ HN      4.45                
  8 TRP  QB      9 LYS+ HN      4.27                
  8 TRP  HE3     9 LYS+ HA      5.50                
  9 LYS+ HA     10 LYS+ HN      3.08                
 12 LYS+ HA     13 DPR  HD3     3.64                
 12 LYS+ HA     13 DPR  HD2     3.64                
 12 LYS+ HA     13 DPR  QD      3.43                
 12 LYS+ QB     13 DPR  QD      5.78                
 13 DPR  HA     14 PRO  HD2     3.36                
 13 DPR  HA     14 PRO  HD3     3.36                
 13 DPR  HA     14 PRO  QD      3.18                
 13 DPR  QB     14 PRO  QD      6.23                
SUMME = 44
 

 MEDIUM and LONG RANGE NOE UPPER-DISTANCE LIMITS 

  2 TRP  HA     11 ALA  HA      3.89                
  2 TRP  HB2    11 ALA  QB      6.53                
  2 TRP  HB3    11 ALA  QB      6.53                
  2 TRP  HD1    11 ALA  HA      5.00                
  2 TRP  HD1    11 ALA  QB      6.53                
  2 TRP  HE3     9 LYS+ QB      6.13                
  2 TRP  HE3     9 LYS+ QG      6.38                
  2 TRP  HE3    11 ALA  HA      5.28                
  2 TRP  HE3    11 ALA  QB      6.50                
  2 TRP  HZ3     9 LYS+ QG      6.38                
  2 TRP  HH2     9 LYS+ QE      6.38                
  4 LYS+ HA      8 TRP  HD1     5.80                
  4 LYS+ HA      8 TRP  HE3     5.80                
  4 LYS+ HA      9 LYS+ HA      3.67                
  6 ARG  HA      8 TRP  HE3     5.07                
  8 TRP  QB     10 LYS+ HN      6.04                
 11 ALA  QB     13 DPR  QD      7.43                
SUMME = 17
 

 INTRARESIDUAL NOE UPPER-DISTANCE LIMITS 

  1 THR  HN      1 THR  HB      3.33                
  2 TRP  HN      2 TRP  HB2     3.24                
  2 TRP  HN      2 TRP  HB3     3.24                
  2 TRP  HN      2 TRP  QB      3.05                
  2 TRP  HN      2 TRP  HD1     5.04                
  2 TRP  HA      2 TRP  HD1     5.41                
  2 TRP  HA      2 TRP  HE3     5.25                
  3 LEU  HA      3 LEU  QD1     6.19                
  3 LEU  HA      3 LEU  QD2     6.19                
  6 ARG+ HA      6 ARG+ QD      6.38                
  7 ARG+ HA      7 ARG+ HG2     4.20                
  7 ARG+ HA      7 ARG+ HG3     4.20                
  7 ARG+ HA      7 ARG+ QD      6.38                
  8 TRP  HN      8 TRP  HB2     3.48                
  8 TRP  HN      8 TRP  HB3     3.48                
  8 TRP  HN      8 TRP  QB      3.25                
  8 TRP  HA      8 TRP  HD1     4.97                
  8 TRP  HA      8 TRP  HE3     5.10                
  8 TRP  HB2     8 TRP  HE3     3.89                
  8 TRP  HB3     8 TRP  HE3     3.89                
  9 LYS+ HN      9 LYS+ HB2     3.39                
  9 LYS+ HN      9 LYS+ HB3     3.39                
  9 LYS+ HN      9 LYS+ QB      3.21                
  9 LYS+ HN      9 LYS+ QG      5.94                
 10 LYS+ HN     10 LYS+ HB2     3.08                
 10 LYS+ HN     10 LYS+ HB3     3.08                
 10 LYS+ HN     10 LYS+ QG      5.91                
SUMME = 27
 

 SEQUENTIAL NOE UPPER-DISTANCE LIMITS 

  1 THR  HN     14 PRO  HA      3.17                
  1 THR  HN     14 PRO  HB2     5.50                
  1 THR  HN     14 PRO  HB3     5.50                
  1 THR  HN     14 PRO  QB      4.71                
  1 THR  HN     14 PRO  HG2     4.63                
  1 THR  HN     14 PRO  HG3     4.63                
  1 THR  HN     14 PRO  QG      4.33                
  1 THR  HN     14 PRO  HD3     4.88                
  1 THR  HA      2 TRP  HN      3.20                
  1 THR  QG2     2 TRP  HD1     6.03                
  2 TRP  HB2     3 LEU  HN      3.83                
  2 TRP  HB3     3 LEU  HN      3.83                
  2 TRP  QB      3 LEU  HN      3.60                
  3 LEU  QB      4 LYS+ HN      4.70                
  6 ARG+ HA      7 ARG+ HN      3.30                
  7 ARG+ HN      8 TRP  HN      3.52                
  7 ARG+ HA      8 TRP  HN      3.30                
  7 ARG+ HB2     8 TRP  HN      3.67                
  7 ARG+ HB3     8 TRP  HN      3.67                
  7 ARG+ HB3     8 TRP  HD1     5.44                
  7 ARG+ QB      8 TRP  HN      3.45                
  8 TRP  HB2     9 LYS+ HN      4.45                
  8 TRP  HB3     9 LYS+ HN      4.45                
  8 TRP  QB      9 LYS+ HN      4.27                
  9 LYS+ HA     10 LYS+ HN      3.08                
 12 LYS+ HA     13 DPR  HD3     3.64                
 12 LYS+ HA     13 DPR  HD2     3.64                
 12 LYS+ HA     13 DPR  QD      3.43                
 12 LYS+ QB     13 DPR  QD      5.78                
 13 DPR  HA     14 PRO  HD2     3.36                
 13 DPR  HA     14 PRO  HD3     3.36                
 13 DPR  HA     14 PRO  QD      3.18                
 13 DPR  QB     14 PRO  QD      6.23                
SUMME = 33
 

 MEDIUM and LONG RANGE NOE UPPER-DISTANCE LIMITS 

  2 TRP  HA     11 ALA  HA      3.89                
  2 TRP  HB2    11 ALA  QB      6.53                
  2 TRP  HB3    11 ALA  QB      6.53                
  2 TRP  HD1    11 ALA  HA      5.00                
  2 TRP  HD1    11 ALA  QB      6.53                
  2 TRP  HE3     9 LYS+ QB      6.13                
  2 TRP  HE3     9 LYS+ QG      6.38                
  2 TRP  HE3    11 ALA  HA      5.28                
  2 TRP  HE3    11 ALA  QB      6.50                
  4 LYS+ HA      8 TRP  HD1     5.80                
  4 LYS+ HA      8 TRP  HE3     5.80                
  4 LYS+ HA      9 LYS+ HA      3.67                
  6 ARG+ HA      8 TRP  HE3     5.07                
 11 ALA  QB     13 DPR  QD      7.43                
SUMME = 14

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H        THR   1   7.008  -2.965   2.046
    2    HA   THR   1           HA       THR   1   7.503  -2.800  -0.852
    3    HB   THR   1           HB       THR   1   7.045  -5.013   1.116
    4    HG1  THR   1           HG1      THR   1   8.839  -5.552  -0.068
    5   HG21  THR   1          HG2       THR   1   5.734  -4.874  -1.631
    6   HG22  THR   1          HG2       THR   1   6.323  -6.424  -0.983
    7   HG23  THR   1          HG2       THR   1   5.059  -5.520  -0.115
    8    H    TRP   2           H        TRP   2   5.972  -1.995  -2.141
    9    HA   TRP   2           HA       TRP   2   3.692  -0.815  -1.168
   10    HB2  TRP   2           HB2      TRP   2   3.534  -0.080  -3.244
   11    HB3  TRP   2           HB3      TRP   2   4.984  -1.000  -3.594
   12    HD1  TRP   2           HD1      TRP   2   4.253  -3.794  -4.282
   13    HE1  TRP   2           HE1      TRP   2   2.473  -4.610  -6.050
   14    HE3  TRP   2           HE3      TRP   2   1.572   0.527  -4.359
   15    HZ2  TRP   2           HZ2      TRP   2   0.194  -3.386  -7.256
   16    HZ3  TRP   2           HZ3      TRP   2  -0.416   0.633  -5.858
   17    HH2  TRP   2           HH2      TRP   2  -1.117  -1.232  -7.275
   18    H    LEU   3           H        LEU   3   1.406  -1.620  -2.361
   19    HA   LEU   3           HA       LEU   3   0.866  -4.302  -2.568
   20    HB2  LEU   3           HB2      LEU   3   1.484  -3.691   0.088
   21    HB3  LEU   3           HB3      LEU   3  -0.267  -3.773   0.048
   22    HG   LEU   3           HG       LEU   3  -0.054  -6.036  -1.054
   23   HD11  LEU   3          HD1       LEU   3   2.264  -5.723  -1.878
   24   HD12  LEU   3          HD1       LEU   3   2.844  -5.828  -0.199
   25   HD13  LEU   3          HD1       LEU   3   2.039  -7.226  -0.951
   26   HD21  LEU   3          HD2       LEU   3   0.927  -5.511   1.748
   27   HD22  LEU   3          HD2       LEU   3  -0.678  -6.051   1.201
   28   HD23  LEU   3          HD2       LEU   3   0.710  -7.162   1.119
   29    H    LYS   4           H        LYS   4  -0.469  -1.382  -0.861
   30    HA   LYS   4           HA       LYS   4  -2.331  -0.238  -1.167
   31    HB2  LYS   4           HB2      LYS   4  -1.430   0.216  -3.372
   32    HB3  LYS   4           HB3      LYS   4  -2.077  -1.285  -4.001
   33    HG2  LYS   4           HG2      LYS   4  -4.381  -0.520  -3.628
   34    HG3  LYS   4           HG3      LYS   4  -3.817   0.916  -2.798
   35    HD2  LYS   4           HD2      LYS   4  -3.747   2.003  -4.783
   36    HD3  LYS   4           HD3      LYS   4  -2.471   0.922  -5.307
   37    HE2  LYS   4           HE2      LYS   4  -3.905  -0.399  -6.561
   38    HE3  LYS   4           HE3      LYS   4  -5.243  -0.199  -5.448
   39    HZ1  LYS   4           HZ1      LYS   4  -5.651   0.964  -7.481
   40    HZ2  LYS   4           HZ2      LYS   4  -5.499   2.054  -6.275
   41    HZ3  LYS   4           HZ3      LYS   4  -4.277   1.835  -7.337
   42    H    LYS   5           H        LYS   5  -3.853  -1.075   0.189
   43    HA   LYS   5           HA       LYS   5  -5.807  -2.817  -0.989
   44    HB2  LYS   5           HB2      LYS   5  -3.828  -4.235   0.024
   45    HB3  LYS   5           HB3      LYS   5  -4.596  -3.855   1.553
   46    HG2  LYS   5           HG2      LYS   5  -6.527  -5.071   1.057
   47    HG3  LYS   5           HG3      LYS   5  -6.388  -4.802  -0.669
   48    HD2  LYS   5           HD2      LYS   5  -5.647  -6.967  -0.726
   49    HD3  LYS   5           HD3      LYS   5  -4.113  -6.278  -0.230
   50    HE2  LYS   5           HE2      LYS   5  -4.243  -7.194   1.863
   51    HE3  LYS   5           HE3      LYS   5  -5.924  -6.736   2.059
   52    HZ1  LYS   5           HZ1      LYS   5  -4.817  -9.168   0.965
   53    HZ2  LYS   5           HZ2      LYS   5  -6.145  -8.952   1.891
   54    HZ3  LYS   5           HZ3      LYS   5  -6.203  -8.630   0.291
   55    H    ARG   6           H        ARG   6  -4.546  -1.479   2.145
   56    HA   ARG   6           HA       ARG   6  -7.132  -0.213   2.429
   57    HB2  ARG   6           HB2      ARG   6  -6.582  -2.487   3.863
   58    HB3  ARG   6           HB3      ARG   6  -5.912  -1.289   4.950
   59    HG2  ARG   6           HG2      ARG   6  -8.017  -0.917   5.709
   60    HG3  ARG   6           HG3      ARG   6  -8.374  -0.170   4.165
   61    HD2  ARG   6           HD2      ARG   6  -8.734  -2.709   3.381
   62    HD3  ARG   6           HD3      ARG   6  -8.978  -2.982   5.095
   63    HE   ARG   6           HE       ARG   6 -10.535  -0.719   4.426
   64   HH11  ARG   6          HH2       ARG   6 -10.406  -4.130   3.575
   65   HH12  ARG   6          HH2       ARG   6 -12.103  -4.243   3.241
   66   HH21  ARG   6          HH1       ARG   6 -12.772  -0.866   3.986
   67   HH22  ARG   6          HH1       ARG   6 -13.457  -2.374   3.476
   68    H    ARG   7           H        ARG   7  -6.229   1.860   2.034
   69    HA   ARG   7           HA       ARG   7  -5.456   3.770   2.797
   70    HB2  ARG   7           HB2      ARG   7  -5.279   2.326   5.157
   71    HB3  ARG   7           HB3      ARG   7  -3.598   2.741   4.895
   72    HG2  ARG   7           HG2      ARG   7  -5.008   5.125   4.318
   73    HG3  ARG   7           HG3      ARG   7  -5.826   4.465   5.719
   74    HD2  ARG   7           HD2      ARG   7  -3.122   4.092   6.353
   75    HD3  ARG   7           HD3      ARG   7  -3.112   5.627   5.506
   76    HE   ARG   7           HE       ARG   7  -5.281   5.534   7.424
   77   HH11  ARG   7          HH2       ARG   7  -1.799   5.973   7.170
   78   HH12  ARG   7          HH2       ARG   7  -1.683   6.910   8.621
   79   HH21  ARG   7          HH1       ARG   7  -5.129   6.772   9.339
   80   HH22  ARG   7          HH1       ARG   7  -3.590   7.368   9.863
   81    H    TRP   8           H        TRP   8  -3.613   0.933   2.051
   82    HA   TRP   8           HA       TRP   8  -1.082   2.264   1.786
   83    HB2  TRP   8           HB2      TRP   8  -2.136  -0.489   1.253
   84    HB3  TRP   8           HB3      TRP   8  -0.618   0.010   0.534
   85    HD1  TRP   8           HD1      TRP   8   0.992   1.355   2.747
   86    HE1  TRP   8           HE1      TRP   8   1.701   0.246   5.035
   87    HE3  TRP   8           HE3      TRP   8  -2.635  -2.210   2.745
   88    HZ2  TRP   8           HZ2      TRP   8   0.687  -1.949   6.552
   89    HZ3  TRP   8           HZ3      TRP   8  -2.704  -3.796   4.666
   90    HH2  TRP   8           HH2      TRP   8  -1.121  -3.706   6.526
   91    H    LYS   9           H        LYS   9  -0.034   2.713  -0.270
   92    HA   LYS   9           HA       LYS   9  -1.821   2.683  -2.581
   93    HB2  LYS   9           HB2      LYS   9  -1.567   4.969  -1.160
   94    HB3  LYS   9           HB3      LYS   9  -0.177   5.134  -2.215
   95    HG2  LYS   9           HG2      LYS   9  -1.592   5.862  -3.831
   96    HG3  LYS   9           HG3      LYS   9  -2.213   4.227  -3.938
   97    HD2  LYS   9           HD2      LYS   9  -3.290   5.975  -1.733
   98    HD3  LYS   9           HD3      LYS   9  -3.805   6.334  -3.369
   99    HE2  LYS   9           HE2      LYS   9  -3.895   3.438  -2.733
  100    HE3  LYS   9           HE3      LYS   9  -4.936   4.400  -1.702
  101    HZ1  LYS   9           HZ1      LYS   9  -5.512   5.461  -4.019
  102    HZ2  LYS   9           HZ2      LYS   9  -5.088   3.976  -4.550
  103    HZ3  LYS   9           HZ3      LYS   9  -6.288   4.140  -3.455
  104    H    LYS  10           H        LYS  10   0.356   4.391  -3.939
  105    HA   LYS  10           HA       LYS  10   1.715   2.355  -5.162
  106    HB2  LYS  10           HB2      LYS  10   1.505   5.073  -5.466
  107    HB3  LYS  10           HB3      LYS  10   3.181   4.908  -4.983
  108    HG2  LYS  10           HG2      LYS  10   3.627   4.355  -7.142
  109    HG3  LYS  10           HG3      LYS  10   2.864   2.813  -6.810
  110    HD2  LYS  10           HD2      LYS  10   0.683   3.664  -7.565
  111    HD3  LYS  10           HD3      LYS  10   1.329   5.284  -7.739
  112    HE2  LYS  10           HE2      LYS  10   2.226   4.823  -9.788
  113    HE3  LYS  10           HE3      LYS  10   2.931   3.317  -9.235
  114    HZ1  LYS  10           HZ1      LYS  10   1.168   3.084 -10.921
  115    HZ2  LYS  10           HZ2      LYS  10   0.880   2.227  -9.561
  116    HZ3  LYS  10           HZ3      LYS  10   0.073   3.620  -9.836
  117    H    ALA  11           H        ALA  11   4.371   2.483  -5.149
  118    HA   ALA  11           HA       ALA  11   5.225   0.976  -3.110
  119    HB1  ALA  11           HB1      ALA  11   6.741   3.136  -4.625
  120    HB2  ALA  11           HB2      ALA  11   7.511   1.864  -3.648
  121    HB3  ALA  11           HB3      ALA  11   6.561   1.427  -5.088
  122    H    LYS  12           H        LYS  12   5.511   1.170  -0.942
  123    HA   LYS  12           HA       LYS  12   6.169   3.770   0.145
  124    HB2  LYS  12           HB2      LYS  12   3.658   3.680   0.015
  125    HB3  LYS  12           HB3      LYS  12   3.694   2.306   1.103
  126    HG2  LYS  12           HG2      LYS  12   5.218   4.776   1.922
  127    HG3  LYS  12           HG3      LYS  12   3.468   4.837   2.008
  128    HD2  LYS  12           HD2      LYS  12   3.487   2.732   3.395
  129    HD3  LYS  12           HD3      LYS  12   5.239   2.737   3.348
  130    HE2  LYS  12           HE2      LYS  12   5.420   4.579   4.777
  131    HE3  LYS  12           HE3      LYS  12   3.892   5.267   4.266
  132    HZ1  LYS  12           HZ1      LYS  12   4.138   4.057   6.534
  133    HZ2  LYS  12           HZ2      LYS  12   2.749   3.951   5.683
  134    HZ3  LYS  12           HZ3      LYS  12   3.823   2.722   5.649
  135    HA   DPR  13           HA       DPR  13   8.265   1.710   3.329
  136    HB2  DPR  13           HB2      DPR  13  10.844   2.007   2.488
  137    HB3  DPR  13           HB3      DPR  13   9.790   3.390   2.827
  138    HG2  DPR  13           HG2      DPR  13  10.527   3.842   0.529
  139    HG3  DPR  13           HG3      DPR  13  10.380   2.124   0.087
  140    HD2  DPR  13           HD2      DPR  13   8.258   2.819  -0.710
  141    HD3  DPR  13           HD3      DPR  13   8.140   4.156   0.475
  142    HA   PRO  14           HA       PRO  14  10.016  -2.317   3.138
  143    HB2  PRO  14           HB2      PRO  14   8.022  -3.701   4.496
  144    HB3  PRO  14           HB3      PRO  14   9.129  -2.540   5.242
  145    HG2  PRO  14           HG2      PRO  14   6.267  -2.009   4.271
  146    HG3  PRO  14           HG3      PRO  14   6.973  -1.590   5.847
  147    HD2  PRO  14           HD2      PRO  14   6.808   0.273   3.796
  148    HD3  PRO  14           HD3      PRO  14   8.209   0.274   4.905
  Start of MODEL    2
    1    H1   THR   1           H        THR   1   8.052  -3.917   1.805
    2    HA   THR   1           HA       THR   1   7.226  -4.218  -0.668
    3    HB   THR   1           HB       THR   1   5.450  -4.769   1.768
    4    HG1  THR   1           HG1      THR   1   7.596  -6.296   0.480
    5   HG21  THR   1          HG2       THR   1   5.672  -5.878  -1.039
    6   HG22  THR   1          HG2       THR   1   5.328  -7.010   0.292
    7   HG23  THR   1          HG2       THR   1   4.221  -5.654  -0.033
    8    H    TRP   2           H        TRP   2   5.036  -4.057  -1.757
    9    HA   TRP   2           HA       TRP   2   4.380  -1.300  -1.908
   10    HB2  TRP   2           HB2      TRP   2   3.952  -3.695  -3.439
   11    HB3  TRP   2           HB3      TRP   2   2.429  -2.850  -3.242
   12    HD1  TRP   2           HD1      TRP   2   5.834  -2.474  -4.960
   13    HE1  TRP   2           HE1      TRP   2   5.841  -0.465  -6.671
   14    HE3  TRP   2           HE3      TRP   2   1.315  -0.596  -3.580
   15    HZ2  TRP   2           HZ2      TRP   2   3.998   1.636  -7.242
   16    HZ3  TRP   2           HZ3      TRP   2   0.491   1.437  -4.765
   17    HH2  TRP   2           HH2      TRP   2   1.753   2.548  -6.539
   18    H    LEU   3           H        LEU   3   2.743  -4.301  -0.696
   19    HA   LEU   3           HA       LEU   3   0.794  -4.525   0.396
   20    HB2  LEU   3           HB2      LEU   3   1.032  -3.967   2.621
   21    HB3  LEU   3           HB3      LEU   3   2.679  -4.059   2.034
   22    HG   LEU   3           HG       LEU   3   2.196  -1.405   1.685
   23   HD11  LEU   3          HD1       LEU   3   1.041  -1.579   4.371
   24   HD12  LEU   3          HD1       LEU   3   0.624  -0.521   3.002
   25   HD13  LEU   3          HD1       LEU   3  -0.043  -2.169   3.089
   26   HD21  LEU   3          HD2       LEU   3   3.570  -3.083   3.655
   27   HD22  LEU   3          HD2       LEU   3   4.124  -1.629   2.790
   28   HD23  LEU   3          HD2       LEU   3   3.146  -1.466   4.267
   29    H    LYS   4           H        LYS   4  -0.682  -3.705  -1.192
   30    HA   LYS   4           HA       LYS   4  -1.809  -1.131  -0.372
   31    HB2  LYS   4           HB2      LYS   4  -2.138  -0.493  -2.707
   32    HB3  LYS   4           HB3      LYS   4  -0.436  -0.683  -2.334
   33    HG2  LYS   4           HG2      LYS   4  -0.220  -2.242  -3.962
   34    HG3  LYS   4           HG3      LYS   4  -1.427  -3.251  -3.192
   35    HD2  LYS   4           HD2      LYS   4  -3.160  -2.467  -4.538
   36    HD3  LYS   4           HD3      LYS   4  -2.445  -0.878  -4.728
   37    HE2  LYS   4           HE2      LYS   4  -1.849  -1.601  -6.813
   38    HE3  LYS   4           HE3      LYS   4  -0.557  -2.456  -5.993
   39    HZ1  LYS   4           HZ1      LYS   4  -2.824  -3.508  -7.282
   40    HZ2  LYS   4           HZ2      LYS   4  -1.486  -4.285  -6.756
   41    HZ3  LYS   4           HZ3      LYS   4  -2.748  -4.055  -5.745
   42    H    LYS   5           H        LYS   5  -3.911  -1.352   0.166
   43    HA   LYS   5           HA       LYS   5  -5.397  -3.500  -1.165
   44    HB2  LYS   5           HB2      LYS   5  -4.619  -4.130   1.163
   45    HB3  LYS   5           HB3      LYS   5  -5.638  -2.845   1.782
   46    HG2  LYS   5           HG2      LYS   5  -7.557  -3.962   0.393
   47    HG3  LYS   5           HG3      LYS   5  -6.491  -5.349   0.281
   48    HD2  LYS   5           HD2      LYS   5  -6.320  -4.837   2.972
   49    HD3  LYS   5           HD3      LYS   5  -7.944  -4.258   2.657
   50    HE2  LYS   5           HE2      LYS   5  -8.409  -6.485   1.473
   51    HE3  LYS   5           HE3      LYS   5  -6.851  -7.044   2.049
   52    HZ1  LYS   5           HZ1      LYS   5  -8.761  -5.917   3.940
   53    HZ2  LYS   5           HZ2      LYS   5  -8.927  -7.465   3.447
   54    HZ3  LYS   5           HZ3      LYS   5  -7.563  -6.992   4.209
   55    H    ARG   6           H        ARG   6  -6.209  -1.023   1.349
   56    HA   ARG   6           HA       ARG   6  -7.550   0.537  -0.616
   57    HB2  ARG   6           HB2      ARG   6  -9.770   0.400   0.715
   58    HB3  ARG   6           HB3      ARG   6  -9.378  -0.974  -0.299
   59    HG2  ARG   6           HG2      ARG   6  -8.364  -2.118   1.727
   60    HG3  ARG   6           HG3      ARG   6  -8.906  -0.773   2.712
   61    HD2  ARG   6           HD2      ARG   6 -10.890  -2.256   0.953
   62    HD3  ARG   6           HD3      ARG   6 -10.429  -2.921   2.508
   63    HE   ARG   6           HE       ARG   6 -12.132  -0.605   2.054
   64   HH11  ARG   6          HH2       ARG   6  -9.858  -2.038   4.326
   65   HH12  ARG   6          HH2       ARG   6 -10.507  -1.204   5.699
   66   HH21  ARG   6          HH1       ARG   6 -12.988   0.494   3.864
   67   HH22  ARG   6          HH1       ARG   6 -12.299   0.246   5.434
   68    H    ARG   7           H        ARG   7  -5.648   1.763   0.486
   69    HA   ARG   7           HA       ARG   7  -6.426   3.826   1.860
   70    HB2  ARG   7           HB2      ARG   7  -6.390   1.499   3.707
   71    HB3  ARG   7           HB3      ARG   7  -5.464   2.860   4.303
   72    HG2  ARG   7           HG2      ARG   7  -8.169   3.479   3.151
   73    HG3  ARG   7           HG3      ARG   7  -8.145   2.624   4.680
   74    HD2  ARG   7           HD2      ARG   7  -6.343   4.500   5.336
   75    HD3  ARG   7           HD3      ARG   7  -7.117   5.393   4.042
   76    HE   ARG   7           HE       ARG   7  -9.036   5.631   5.371
   77   HH11  ARG   7          HH2       ARG   7  -6.966   3.136   6.742
   78   HH12  ARG   7          HH2       ARG   7  -7.896   2.985   8.195
   79   HH21  ARG   7          HH1       ARG   7 -10.262   5.432   7.289
   80   HH22  ARG   7          HH1       ARG   7  -9.783   4.298   8.509
   81    H    TRP   8           H        TRP   8  -4.065   1.288   1.354
   82    HA   TRP   8           HA       TRP   8  -1.856   2.909   2.304
   83    HB2  TRP   8           HB2      TRP   8  -2.067   0.125   1.164
   84    HB3  TRP   8           HB3      TRP   8  -0.530   0.911   1.461
   85    HD1  TRP   8           HD1      TRP   8  -0.142   1.660   4.193
   86    HE1  TRP   8           HE1      TRP   8  -0.778   0.408   6.427
   87    HE3  TRP   8           HE3      TRP   8  -3.676  -1.347   2.117
   88    HZ2  TRP   8           HZ2      TRP   8  -2.646  -1.653   7.060
   89    HZ3  TRP   8           HZ3      TRP   8  -4.860  -2.952   3.613
   90    HH2  TRP   8           HH2      TRP   8  -4.395  -3.133   6.006
   91    H    LYS   9           H        LYS   9  -1.766   0.912  -0.655
   92    HA   LYS   9           HA       LYS   9  -0.906   1.446  -2.648
   93    HB2  LYS   9           HB2      LYS   9  -3.271   1.696  -3.025
   94    HB3  LYS   9           HB3      LYS   9  -3.260   3.335  -2.407
   95    HG2  LYS   9           HG2      LYS   9  -2.233   4.208  -4.316
   96    HG3  LYS   9           HG3      LYS   9  -1.384   2.718  -4.678
   97    HD2  LYS   9           HD2      LYS   9  -4.320   2.401  -4.805
   98    HD3  LYS   9           HD3      LYS   9  -3.731   3.618  -5.919
   99    HE2  LYS   9           HE2      LYS   9  -1.959   1.309  -5.997
  100    HE3  LYS   9           HE3      LYS   9  -3.613   0.776  -6.218
  101    HZ1  LYS   9           HZ1      LYS   9  -3.784   2.608  -7.890
  102    HZ2  LYS   9           HZ2      LYS   9  -2.161   2.765  -7.802
  103    HZ3  LYS   9           HZ3      LYS   9  -2.819   1.360  -8.311
  104    H    LYS  10           H        LYS  10   0.490   2.720  -0.427
  105    HA   LYS  10           HA       LYS  10   1.104   5.361  -1.496
  106    HB2  LYS  10           HB2      LYS  10   0.656   4.780   1.004
  107    HB3  LYS  10           HB3      LYS  10   2.294   4.156   0.995
  108    HG2  LYS  10           HG2      LYS  10   2.562   6.421   1.653
  109    HG3  LYS  10           HG3      LYS  10   2.989   6.432  -0.047
  110    HD2  LYS  10           HD2      LYS  10   1.413   8.031  -0.366
  111    HD3  LYS  10           HD3      LYS  10   0.190   6.821  -0.036
  112    HE2  LYS  10           HE2      LYS  10  -0.390   7.976   1.827
  113    HE3  LYS  10           HE3      LYS  10   1.172   7.585   2.518
  114    HZ1  LYS  10           HZ1      LYS  10   1.983   9.550   1.161
  115    HZ2  LYS  10           HZ2      LYS  10   0.413   9.975   1.021
  116    HZ3  LYS  10           HZ3      LYS  10   1.103   9.872   2.497
  117    H    ALA  11           H        ALA  11   2.278   2.047  -1.365
  118    HA   ALA  11           HA       ALA  11   4.040   1.059  -2.265
  119    HB1  ALA  11           HB1      ALA  11   4.748   3.533  -3.832
  120    HB2  ALA  11           HB2      ALA  11   4.776   1.827  -4.336
  121    HB3  ALA  11           HB3      ALA  11   3.224   2.684  -4.180
  122    H    LYS  12           H        LYS  12   6.489   2.747  -3.203
  123    HA   LYS  12           HA       LYS  12   8.461   3.237  -2.333
  124    HB2  LYS  12           HB2      LYS  12   8.557   5.073  -0.855
  125    HB3  LYS  12           HB3      LYS  12   7.091   5.294  -1.789
  126    HG2  LYS  12           HG2      LYS  12   5.686   4.792   0.017
  127    HG3  LYS  12           HG3      LYS  12   6.869   3.761   0.796
  128    HD2  LYS  12           HD2      LYS  12   7.832   5.503   1.937
  129    HD3  LYS  12           HD3      LYS  12   7.755   6.581   0.558
  130    HE2  LYS  12           HE2      LYS  12   5.253   6.829   0.975
  131    HE3  LYS  12           HE3      LYS  12   5.452   5.889   2.440
  132    HZ1  LYS  12           HZ1      LYS  12   7.257   8.107   2.124
  133    HZ2  LYS  12           HZ2      LYS  12   5.691   8.499   2.366
  134    HZ3  LYS  12           HZ3      LYS  12   6.481   7.577   3.458
  135    HA   DPR  13           HA       DPR  13   9.261   1.631   1.958
  136    HB2  DPR  13           HB2      DPR  13  11.978   1.450   1.771
  137    HB3  DPR  13           HB3      DPR  13  11.137   3.002   1.929
  138    HG2  DPR  13           HG2      DPR  13  12.481   3.338  -0.098
  139    HG3  DPR  13           HG3      DPR  13  12.142   1.682  -0.660
  140    HD2  DPR  13           HD2      DPR  13  10.437   2.772  -1.897
  141    HD3  DPR  13           HD3      DPR  13  10.274   4.093  -0.698
  142    HA   PRO  14           HA       PRO  14  10.866  -2.596   1.645
  143    HB2  PRO  14           HB2      PRO  14   9.100  -3.720   3.474
  144    HB3  PRO  14           HB3      PRO  14  10.481  -2.702   3.904
  145    HG2  PRO  14           HG2      PRO  14   7.554  -1.826   3.615
  146    HG3  PRO  14           HG3      PRO  14   8.658  -1.493   4.968
  147    HD2  PRO  14           HD2      PRO  14   8.234   0.371   2.955
  148    HD3  PRO  14           HD3      PRO  14   9.848   0.202   3.704
  Start of MODEL    3
    1    H1   THR   1           H        THR   1   8.906  -3.109   0.281
    2    HA   THR   1           HA       THR   1   8.253  -3.241  -2.548
    3    HB   THR   1           HB       THR   1   8.727  -5.293  -1.159
    4    HG1  THR   1           HG1      THR   1   6.526  -6.228  -1.815
    5   HG21  THR   1          HG2       THR   1   5.979  -4.996   0.055
    6   HG22  THR   1          HG2       THR   1   7.365  -5.952   0.631
    7   HG23  THR   1          HG2       THR   1   7.336  -4.189   0.877
    8    H    TRP   2           H        TRP   2   6.046  -3.195  -3.341
    9    HA   TRP   2           HA       TRP   2   4.704  -0.913  -2.609
   10    HB2  TRP   2           HB2      TRP   2   3.588  -1.389  -4.446
   11    HB3  TRP   2           HB3      TRP   2   4.467  -2.901  -4.547
   12    HD1  TRP   2           HD1      TRP   2   2.987  -4.542  -2.221
   13    HE1  TRP   2           HE1      TRP   2   0.494  -5.375  -2.449
   14    HE3  TRP   2           HE3      TRP   2   1.638  -1.182  -5.791
   15    HZ2  TRP   2           HZ2      TRP   2  -1.714  -4.553  -4.060
   16    HZ3  TRP   2           HZ3      TRP   2  -0.705  -1.264  -6.637
   17    HH2  TRP   2           HH2      TRP   2  -2.357  -2.876  -5.829
   18    H    LEU   3           H        LEU   3   2.088  -1.291  -2.030
   19    HA   LEU   3           HA       LEU   3   1.459  -3.239  -0.162
   20    HB2  LEU   3           HB2      LEU   3   3.281  -1.446   0.910
   21    HB3  LEU   3           HB3      LEU   3   1.737  -0.852   1.486
   22    HG   LEU   3           HG       LEU   3   2.706  -2.344   3.116
   23   HD11  LEU   3          HD1       LEU   3   0.493  -3.975   1.898
   24   HD12  LEU   3          HD1       LEU   3   0.828  -3.613   3.608
   25   HD13  LEU   3          HD1       LEU   3   0.178  -2.347   2.541
   26   HD21  LEU   3          HD2       LEU   3   4.171  -3.669   1.754
   27   HD22  LEU   3          HD2       LEU   3   3.050  -4.759   2.605
   28   HD23  LEU   3          HD2       LEU   3   2.796  -4.387   0.883
   29    H    LYS   4           H        LYS   4  -0.679  -2.808   0.851
   30    HA   LYS   4           HA       LYS   4  -2.069  -0.435   0.221
   31    HB2  LYS   4           HB2      LYS   4  -3.622  -1.289  -1.449
   32    HB3  LYS   4           HB3      LYS   4  -1.980  -1.311  -2.060
   33    HG2  LYS   4           HG2      LYS   4  -1.835  -3.641  -2.019
   34    HG3  LYS   4           HG3      LYS   4  -2.953  -3.800  -0.678
   35    HD2  LYS   4           HD2      LYS   4  -4.607  -2.706  -2.601
   36    HD3  LYS   4           HD3      LYS   4  -3.512  -3.640  -3.603
   37    HE2  LYS   4           HE2      LYS   4  -3.961  -5.553  -1.798
   38    HE3  LYS   4           HE3      LYS   4  -5.394  -4.612  -1.439
   39    HZ1  LYS   4           HZ1      LYS   4  -5.570  -6.358  -3.216
   40    HZ2  LYS   4           HZ2      LYS   4  -6.166  -4.885  -3.593
   41    HZ3  LYS   4           HZ3      LYS   4  -4.720  -5.358  -4.188
   42    H    LYS   5           H        LYS   5  -4.617  -0.996   0.542
   43    HA   LYS   5           HA       LYS   5  -5.103  -3.217   2.248
   44    HB2  LYS   5           HB2      LYS   5  -3.916  -1.045   3.525
   45    HB3  LYS   5           HB3      LYS   5  -5.623  -0.829   3.850
   46    HG2  LYS   5           HG2      LYS   5  -5.808  -2.849   5.023
   47    HG3  LYS   5           HG3      LYS   5  -4.493  -3.607   4.147
   48    HD2  LYS   5           HD2      LYS   5  -3.054  -1.672   5.358
   49    HD3  LYS   5           HD3      LYS   5  -4.377  -1.734   6.506
   50    HE2  LYS   5           HE2      LYS   5  -3.722  -4.452   5.967
   51    HE3  LYS   5           HE3      LYS   5  -2.184  -3.628   6.128
   52    HZ1  LYS   5           HZ1      LYS   5  -3.622  -4.458   8.176
   53    HZ2  LYS   5           HZ2      LYS   5  -2.565  -3.216   8.274
   54    HZ3  LYS   5           HZ3      LYS   5  -4.160  -2.918   8.086
   55    H    ARG   6           H        ARG   6  -6.449   0.133   2.365
   56    HA   ARG   6           HA       ARG   6  -8.628  -0.776   0.716
   57    HB2  ARG   6           HB2      ARG   6  -9.042  -1.076   3.335
   58    HB3  ARG   6           HB3      ARG   6  -9.310   0.656   3.301
   59    HG2  ARG   6           HG2      ARG   6 -11.060   0.366   1.547
   60    HG3  ARG   6           HG3      ARG   6 -10.778  -1.364   1.538
   61    HD2  ARG   6           HD2      ARG   6 -11.347  -1.351   4.055
   62    HD3  ARG   6           HD3      ARG   6 -11.875   0.307   3.845
   63    HE   ARG   6           HE       ARG   6 -13.136  -1.278   1.831
   64   HH11  ARG   6          HH2       ARG   6 -13.191  -0.843   5.322
   65   HH12  ARG   6          HH2       ARG   6 -14.841  -1.344   5.487
   66   HH21  ARG   6          HH1       ARG   6 -15.312  -1.939   2.047
   67   HH22  ARG   6          HH1       ARG   6 -16.056  -1.971   3.611
   68    H    ARG   7           H        ARG   7  -6.467   1.047   0.178
   69    HA   ARG   7           HA       ARG   7  -7.572   3.054  -1.054
   70    HB2  ARG   7           HB2      ARG   7  -7.706   3.619   1.855
   71    HB3  ARG   7           HB3      ARG   7  -6.941   4.910   0.949
   72    HG2  ARG   7           HG2      ARG   7  -9.480   3.749  -0.180
   73    HG3  ARG   7           HG3      ARG   7  -9.623   4.752   1.249
   74    HD2  ARG   7           HD2      ARG   7  -8.281   6.551   0.045
   75    HD3  ARG   7           HD3      ARG   7  -8.326   5.557  -1.398
   76    HE   ARG   7           HE       ARG   7 -10.998   5.745  -0.612
   77   HH11  ARG   7          HH2       ARG   7  -8.462   8.046  -1.420
   78   HH12  ARG   7          HH2       ARG   7  -9.562   9.244  -2.014
   79   HH21  ARG   7          HH1       ARG   7 -12.450   7.325  -1.394
   80   HH22  ARG   7          HH1       ARG   7 -11.846   8.832  -2.000
   81    H    TRP   8           H        TRP   8  -5.019   1.856   1.024
   82    HA   TRP   8           HA       TRP   8  -3.076   3.808   0.190
   83    HB2  TRP   8           HB2      TRP   8  -2.876   1.254   1.791
   84    HB3  TRP   8           HB3      TRP   8  -1.507   2.283   1.420
   85    HD1  TRP   8           HD1      TRP   8  -1.705   4.905   2.489
   86    HE1  TRP   8           HE1      TRP   8  -2.708   5.785   4.766
   87    HE3  TRP   8           HE3      TRP   8  -4.601   0.825   3.395
   88    HZ2  TRP   8           HZ2      TRP   8  -4.559   4.700   6.647
   89    HZ3  TRP   8           HZ3      TRP   8  -5.976   0.816   5.474
   90    HH2  TRP   8           HH2      TRP   8  -5.986   2.665   7.072
   91    H    LYS   9           H        LYS   9  -1.613   3.578  -1.503
   92    HA   LYS   9           HA       LYS   9  -1.274   0.996  -2.731
   93    HB2  LYS   9           HB2      LYS   9  -3.404   2.097  -3.705
   94    HB3  LYS   9           HB3      LYS   9  -2.311   3.217  -4.492
   95    HG2  LYS   9           HG2      LYS   9  -1.074   0.847  -5.107
   96    HG3  LYS   9           HG3      LYS   9  -2.735   0.298  -5.002
   97    HD2  LYS   9           HD2      LYS   9  -3.208   1.208  -7.023
   98    HD3  LYS   9           HD3      LYS   9  -2.714   2.793  -6.460
   99    HE2  LYS   9           HE2      LYS   9  -0.748   0.667  -7.436
  100    HE3  LYS   9           HE3      LYS   9  -1.410   1.919  -8.469
  101    HZ1  LYS   9           HZ1      LYS   9  -0.171   3.480  -7.477
  102    HZ2  LYS   9           HZ2      LYS   9  -0.258   2.815  -5.987
  103    HZ3  LYS   9           HZ3      LYS   9   0.795   2.222  -7.086
  104    H    LYS  10           H        LYS  10   0.222   3.167  -1.218
  105    HA   LYS  10           HA       LYS  10   1.941   4.315  -3.213
  106    HB2  LYS  10           HB2      LYS  10   1.249   4.868  -0.531
  107    HB3  LYS  10           HB3      LYS  10   2.954   4.472  -0.509
  108    HG2  LYS  10           HG2      LYS  10   3.201   6.678  -1.104
  109    HG3  LYS  10           HG3      LYS  10   2.919   6.062  -2.720
  110    HD2  LYS  10           HD2      LYS  10   0.421   6.479  -2.349
  111    HD3  LYS  10           HD3      LYS  10   0.839   7.278  -0.846
  112    HE2  LYS  10           HE2      LYS  10   2.542   8.606  -2.497
  113    HE3  LYS  10           HE3      LYS  10   1.317   8.178  -3.675
  114    HZ1  LYS  10           HZ1      LYS  10  -0.061   9.647  -2.801
  115    HZ2  LYS  10           HZ2      LYS  10   0.185   9.146  -1.266
  116    HZ3  LYS  10           HZ3      LYS  10   1.192  10.240  -1.939
  117    H    ALA  11           H        ALA  11   3.001   2.553  -0.255
  118    HA   ALA  11           HA       ALA  11   3.873   0.220  -1.214
  119    HB1  ALA  11           HB1      ALA  11   5.129   0.976  -3.019
  120    HB2  ALA  11           HB2      ALA  11   5.635   2.463  -2.181
  121    HB3  ALA  11           HB3      ALA  11   6.372   0.903  -1.746
  122    H    LYS  12           H        LYS  12   6.188   2.723  -0.021
  123    HA   LYS  12           HA       LYS  12   6.829   3.190   2.082
  124    HB2  LYS  12           HB2      LYS  12   4.440   2.067   2.672
  125    HB3  LYS  12           HB3      LYS  12   5.503   0.876   3.395
  126    HG2  LYS  12           HG2      LYS  12   6.302   2.345   4.999
  127    HG3  LYS  12           HG3      LYS  12   6.219   3.731   3.932
  128    HD2  LYS  12           HD2      LYS  12   4.319   4.342   5.014
  129    HD3  LYS  12           HD3      LYS  12   3.525   2.983   4.244
  130    HE2  LYS  12           HE2      LYS  12   4.921   1.812   6.397
  131    HE3  LYS  12           HE3      LYS  12   4.323   3.322   7.057
  132    HZ1  LYS  12           HZ1      LYS  12   2.225   2.385   5.665
  133    HZ2  LYS  12           HZ2      LYS  12   2.870   1.011   6.269
  134    HZ3  LYS  12           HZ3      LYS  12   2.433   2.219   7.277
  135    HA   DPR  13           HA       DPR  13  10.248   0.621   2.810
  136    HB2  DPR  13           HB2      DPR  13  12.161   1.985   1.421
  137    HB3  DPR  13           HB3      DPR  13  11.254   2.715   2.756
  138    HG2  DPR  13           HG2      DPR  13  10.866   4.306   0.928
  139    HG3  DPR  13           HG3      DPR  13  10.682   2.985  -0.253
  140    HD2  DPR  13           HD2      DPR  13   8.376   3.309   0.197
  141    HD3  DPR  13           HD3      DPR  13   8.682   3.905   1.857
  142    HA   PRO  14           HA       PRO  14  12.085  -2.218  -0.005
  143    HB2  PRO  14           HB2      PRO  14  11.025  -4.569   1.033
  144    HB3  PRO  14           HB3      PRO  14  12.245  -3.574   1.837
  145    HG2  PRO  14           HG2      PRO  14   9.215  -3.546   2.327
  146    HG3  PRO  14           HG3      PRO  14  10.509  -3.658   3.540
  147    HD2  PRO  14           HD2      PRO  14   9.296  -1.235   2.942
  148    HD3  PRO  14           HD3      PRO  14  11.037  -1.299   3.335
  Start of MODEL    4
    1    H1   THR   1           H        THR   1   8.354  -2.581   1.541
    2    HA   THR   1           HA       THR   1   6.024  -4.138   1.844
    3    HB   THR   1           HB       THR   1   7.643  -3.877   3.655
    4    HG1  THR   1           HG1      THR   1   5.300  -2.193   4.180
    5   HG21  THR   1          HG2       THR   1   7.512  -1.052   2.887
    6   HG22  THR   1          HG2       THR   1   7.131  -1.246   4.615
    7   HG23  THR   1          HG2       THR   1   8.673  -1.859   3.970
    8    H    TRP   2           H        TRP   2   5.739  -2.064  -0.234
    9    HA   TRP   2           HA       TRP   2   4.210   0.071   0.697
   10    HB2  TRP   2           HB2      TRP   2   3.358   0.126  -1.663
   11    HB3  TRP   2           HB3      TRP   2   5.097   0.222  -1.464
   12    HD1  TRP   2           HD1      TRP   2   6.472  -2.187  -2.028
   13    HE1  TRP   2           HE1      TRP   2   6.023  -4.079  -3.813
   14    HE3  TRP   2           HE3      TRP   2   1.590  -1.008  -2.825
   15    HZ2  TRP   2           HZ2      TRP   2   3.728  -4.852  -5.323
   16    HZ3  TRP   2           HZ3      TRP   2   0.317  -2.381  -4.470
   17    HH2  TRP   2           HH2      TRP   2   1.310  -4.247  -5.699
   18    H    LEU   3           H        LEU   3   3.117  -3.011  -0.914
   19    HA   LEU   3           HA       LEU   3   1.239  -4.160  -0.761
   20    HB2  LEU   3           HB2      LEU   3   1.862  -3.364   1.994
   21    HB3  LEU   3           HB3      LEU   3   0.183  -3.796   1.743
   22    HG   LEU   3           HG       LEU   3   2.370  -5.618   0.765
   23   HD11  LEU   3          HD1       LEU   3   1.237  -5.705   3.571
   24   HD12  LEU   3          HD1       LEU   3   2.490  -6.754   2.866
   25   HD13  LEU   3          HD1       LEU   3   2.830  -5.030   3.154
   26   HD21  LEU   3          HD2       LEU   3   0.554  -6.697   0.050
   27   HD22  LEU   3          HD2       LEU   3   0.281  -7.125   1.756
   28   HD23  LEU   3          HD2       LEU   3  -0.538  -5.711   1.053
   29    H    LYS   4           H        LYS   4  -1.208  -4.018  -0.526
   30    HA   LYS   4           HA       LYS   4  -2.157  -1.267  -0.507
   31    HB2  LYS   4           HB2      LYS   4  -3.335  -1.534  -2.626
   32    HB3  LYS   4           HB3      LYS   4  -1.603  -1.681  -2.845
   33    HG2  LYS   4           HG2      LYS   4  -1.727  -4.091  -3.029
   34    HG3  LYS   4           HG3      LYS   4  -3.378  -4.125  -2.442
   35    HD2  LYS   4           HD2      LYS   4  -3.657  -2.451  -4.612
   36    HD3  LYS   4           HD3      LYS   4  -2.346  -3.472  -5.168
   37    HE2  LYS   4           HE2      LYS   4  -4.171  -5.286  -4.004
   38    HE3  LYS   4           HE3      LYS   4  -5.195  -4.125  -4.826
   39    HZ1  LYS   4           HZ1      LYS   4  -2.867  -5.170  -6.222
   40    HZ2  LYS   4           HZ2      LYS   4  -4.199  -6.107  -6.100
   41    HZ3  LYS   4           HZ3      LYS   4  -4.290  -4.649  -6.833
   42    H    LYS   5           H        LYS   5  -4.681  -2.646  -1.827
   43    HA   LYS   5           HA       LYS   5  -6.515  -3.689  -1.155
   44    HB2  LYS   5           HB2      LYS   5  -4.450  -5.116   0.280
   45    HB3  LYS   5           HB3      LYS   5  -5.894  -5.003   1.266
   46    HG2  LYS   5           HG2      LYS   5  -6.459  -6.881   0.031
   47    HG3  LYS   5           HG3      LYS   5  -7.110  -5.655  -1.039
   48    HD2  LYS   5           HD2      LYS   5  -5.461  -5.961  -2.634
   49    HD3  LYS   5           HD3      LYS   5  -4.218  -6.296  -1.446
   50    HE2  LYS   5           HE2      LYS   5  -4.435  -8.476  -2.089
   51    HE3  LYS   5           HE3      LYS   5  -5.887  -8.483  -1.107
   52    HZ1  LYS   5           HZ1      LYS   5  -5.646  -8.218  -3.989
   53    HZ2  LYS   5           HZ2      LYS   5  -6.668  -9.147  -3.118
   54    HZ3  LYS   5           HZ3      LYS   5  -6.934  -7.541  -3.251
   55    H    ARG   6           H        ARG   6  -5.761  -0.970  -0.410
   56    HA   ARG   6           HA       ARG   6  -7.849  -0.280   1.101
   57    HB2  ARG   6           HB2      ARG   6  -5.896  -1.506   2.805
   58    HB3  ARG   6           HB3      ARG   6  -5.832   0.212   3.152
   59    HG2  ARG   6           HG2      ARG   6  -8.607  -0.465   2.926
   60    HG3  ARG   6           HG3      ARG   6  -7.870  -1.719   3.903
   61    HD2  ARG   6           HD2      ARG   6  -7.106  -0.165   5.550
   62    HD3  ARG   6           HD3      ARG   6  -7.270   1.205   4.469
   63    HE   ARG   6           HE       ARG   6  -9.842  -0.027   4.819
   64   HH11  ARG   6          HH2       ARG   6  -7.494   1.927   6.565
   65   HH12  ARG   6          HH2       ARG   6  -8.678   2.664   7.591
   66   HH21  ARG   6          HH1       ARG   6 -11.405   0.944   6.174
   67   HH22  ARG   6          HH1       ARG   6 -10.919   2.101   7.367
   68    H    ARG   7           H        ARG   7  -6.730   1.879   2.721
   69    HA   ARG   7           HA       ARG   7  -6.399   3.792   0.848
   70    HB2  ARG   7           HB2      ARG   7  -6.434   3.661   3.653
   71    HB3  ARG   7           HB3      ARG   7  -4.854   4.341   3.318
   72    HG2  ARG   7           HG2      ARG   7  -5.722   6.320   2.538
   73    HG3  ARG   7           HG3      ARG   7  -7.024   5.527   1.675
   74    HD2  ARG   7           HD2      ARG   7  -7.740   5.056   4.321
   75    HD3  ARG   7           HD3      ARG   7  -6.990   6.636   4.433
   76    HE   ARG   7           HE       ARG   7  -8.735   6.653   2.174
   77   HH11  ARG   7          HH2       ARG   7  -8.903   6.484   5.685
   78   HH12  ARG   7          HH2       ARG   7 -10.469   7.221   5.773
   79   HH21  ARG   7          HH1       ARG   7 -10.800   7.625   2.289
   80   HH22  ARG   7          HH1       ARG   7 -11.554   7.874   3.828
   81    H    TRP   8           H        TRP   8  -4.111   1.389   1.919
   82    HA   TRP   8           HA       TRP   8  -1.747   2.868   1.307
   83    HB2  TRP   8           HB2      TRP   8  -2.341  -0.022   1.906
   84    HB3  TRP   8           HB3      TRP   8  -0.747   0.505   1.402
   85    HD1  TRP   8           HD1      TRP   8   0.311   2.591   3.116
   86    HE1  TRP   8           HE1      TRP   8   0.278   2.783   5.747
   87    HE3  TRP   8           HE3      TRP   8  -3.575  -0.612   3.827
   88    HZ2  TRP   8           HZ2      TRP   8  -1.331   1.600   7.785
   89    HZ3  TRP   8           HZ3      TRP   8  -4.314  -1.038   6.169
   90    HH2  TRP   8           HH2      TRP   8  -3.260   0.009   8.110
   91    H    LYS   9           H        LYS   9  -0.989   3.297  -0.722
   92    HA   LYS   9           HA       LYS   9  -0.939   1.420  -2.770
   93    HB2  LYS   9           HB2      LYS   9  -3.486   2.055  -2.577
   94    HB3  LYS   9           HB3      LYS   9  -3.000   3.499  -3.440
   95    HG2  LYS   9           HG2      LYS   9  -1.708   1.618  -4.948
   96    HG3  LYS   9           HG3      LYS   9  -3.053   0.653  -4.375
   97    HD2  LYS   9           HD2      LYS   9  -4.034   3.267  -5.195
   98    HD3  LYS   9           HD3      LYS   9  -3.060   2.588  -6.484
   99    HE2  LYS   9           HE2      LYS   9  -4.411   0.399  -6.160
  100    HE3  LYS   9           HE3      LYS   9  -5.497   1.332  -5.149
  101    HZ1  LYS   9           HZ1      LYS   9  -6.472   1.822  -7.062
  102    HZ2  LYS   9           HZ2      LYS   9  -5.246   2.868  -7.328
  103    HZ3  LYS   9           HZ3      LYS   9  -5.198   1.371  -7.980
  104    H    LYS  10           H        LYS  10   0.824   3.214  -1.426
  105    HA   LYS  10           HA       LYS  10   1.319   5.201  -3.530
  106    HB2  LYS  10           HB2      LYS  10   0.877   5.980  -1.144
  107    HB3  LYS  10           HB3      LYS  10   2.406   5.246  -0.707
  108    HG2  LYS  10           HG2      LYS  10   2.333   7.117  -3.080
  109    HG3  LYS  10           HG3      LYS  10   2.275   7.807  -1.471
  110    HD2  LYS  10           HD2      LYS  10   4.427   7.054  -0.909
  111    HD3  LYS  10           HD3      LYS  10   4.368   5.707  -2.028
  112    HE2  LYS  10           HE2      LYS  10   4.650   7.200  -3.951
  113    HE3  LYS  10           HE3      LYS  10   4.477   8.620  -2.938
  114    HZ1  LYS  10           HZ1      LYS  10   6.629   8.523  -2.580
  115    HZ2  LYS  10           HZ2      LYS  10   6.488   7.067  -1.855
  116    HZ3  LYS  10           HZ3      LYS  10   6.779   7.155  -3.460
  117    H    ALA  11           H        ALA  11   3.428   3.634  -1.042
  118    HA   ALA  11           HA       ALA  11   4.705   1.806  -2.582
  119    HB1  ALA  11           HB1      ALA  11   5.427   3.278  -4.246
  120    HB2  ALA  11           HB2      ALA  11   5.686   4.613  -3.098
  121    HB3  ALA  11           HB3      ALA  11   6.827   3.248  -3.147
  122    H    LYS  12           H        LYS  12   7.037   4.103  -1.407
  123    HA   LYS  12           HA       LYS  12   8.311   4.159   0.393
  124    HB2  LYS  12           HB2      LYS  12   5.626   4.012   1.385
  125    HB3  LYS  12           HB3      LYS  12   6.661   3.096   2.462
  126    HG2  LYS  12           HG2      LYS  12   8.184   5.014   2.718
  127    HG3  LYS  12           HG3      LYS  12   7.304   5.925   1.509
  128    HD2  LYS  12           HD2      LYS  12   5.518   6.380   2.934
  129    HD3  LYS  12           HD3      LYS  12   5.702   4.884   3.827
  130    HE2  LYS  12           HE2      LYS  12   6.528   6.347   5.426
  131    HE3  LYS  12           HE3      LYS  12   8.024   6.013   4.577
  132    HZ1  LYS  12           HZ1      LYS  12   7.755   7.990   3.326
  133    HZ2  LYS  12           HZ2      LYS  12   6.256   8.263   3.915
  134    HZ3  LYS  12           HZ3      LYS  12   7.555   8.383   4.899
  135    HA   DPR  13           HA       DPR  13  10.405   0.439   0.877
  136    HB2  DPR  13           HB2      DPR  13  11.511  -0.101  -1.560
  137    HB3  DPR  13           HB3      DPR  13  11.830   1.406  -0.684
  138    HG2  DPR  13           HG2      DPR  13  11.029   2.223  -2.857
  139    HG3  DPR  13           HG3      DPR  13   9.780   0.955  -2.931
  140    HD2  DPR  13           HD2      DPR  13   8.407   2.677  -2.047
  141    HD3  DPR  13           HD3      DPR  13   9.780   3.489  -1.234
  142    HA   PRO  14           HA       PRO  14   9.020  -3.347  -1.522
  143    HB2  PRO  14           HB2      PRO  14  10.355  -5.244   0.012
  144    HB3  PRO  14           HB3      PRO  14  11.104  -4.270  -1.262
  145    HG2  PRO  14           HG2      PRO  14  11.151  -3.722   1.759
  146    HG3  PRO  14           HG3      PRO  14  12.530  -3.739   0.637
  147    HD2  PRO  14           HD2      PRO  14  11.290  -1.366   1.369
  148    HD3  PRO  14           HD3      PRO  14  11.927  -1.577  -0.287
  Start of MODEL    5
    1    H1   THR   1           H        THR   1   8.215  -2.132  -0.821
    2    HA   THR   1           HA       THR   1   6.697  -3.768  -1.526
    3    HB   THR   1           HB       THR   1   8.025  -5.172   0.722
    4    HG1  THR   1           HG1      THR   1   6.443  -5.834  -1.662
    5   HG21  THR   1          HG2       THR   1   5.015  -5.308   0.323
    6   HG22  THR   1          HG2       THR   1   5.923  -6.785   0.724
    7   HG23  THR   1          HG2       THR   1   5.941  -5.399   1.841
    8    H    TRP   2           H        TRP   2   4.799  -2.760  -1.597
    9    HA   TRP   2           HA       TRP   2   3.906  -1.375   0.795
   10    HB2  TRP   2           HB2      TRP   2   2.052  -0.941  -1.218
   11    HB3  TRP   2           HB3      TRP   2   3.341   0.133  -0.710
   12    HD1  TRP   2           HD1      TRP   2   5.863  -0.624  -2.099
   13    HE1  TRP   2           HE1      TRP   2   6.235  -0.963  -4.690
   14    HE3  TRP   2           HE3      TRP   2   0.978  -1.481  -3.219
   15    HZ2  TRP   2           HZ2      TRP   2   4.482  -1.539  -6.867
   16    HZ3  TRP   2           HZ3      TRP   2   0.394  -1.924  -5.602
   17    HH2  TRP   2           HH2      TRP   2   2.053  -1.961  -7.395
   18    H    LEU   3           H        LEU   3   1.354  -1.524   1.096
   19    HA   LEU   3           HA       LEU   3   0.737  -4.388   1.114
   20    HB2  LEU   3           HB2      LEU   3   0.914  -2.855   3.233
   21    HB3  LEU   3           HB3      LEU   3  -0.695  -2.341   2.762
   22    HG   LEU   3           HG       LEU   3  -1.125  -4.971   2.673
   23   HD11  LEU   3          HD1       LEU   3   0.214  -6.316   3.915
   24   HD12  LEU   3          HD1       LEU   3   1.442  -5.128   3.413
   25   HD13  LEU   3          HD1       LEU   3   0.696  -5.010   5.025
   26   HD21  LEU   3          HD2       LEU   3  -1.148  -4.097   5.465
   27   HD22  LEU   3          HD2       LEU   3  -1.827  -2.894   4.343
   28   HD23  LEU   3          HD2       LEU   3  -2.491  -4.545   4.386
   29    H    LYS   4           H        LYS   4  -0.833  -1.137   0.692
   30    HA   LYS   4           HA       LYS   4  -2.632  -0.533  -0.448
   31    HB2  LYS   4           HB2      LYS   4  -1.099  -0.802  -2.299
   32    HB3  LYS   4           HB3      LYS   4  -1.446  -2.516  -2.410
   33    HG2  LYS   4           HG2      LYS   4  -3.942  -1.781  -2.747
   34    HG3  LYS   4           HG3      LYS   4  -3.288  -0.186  -3.060
   35    HD2  LYS   4           HD2      LYS   4  -1.852  -1.123  -4.877
   36    HD3  LYS   4           HD3      LYS   4  -2.484  -2.727  -4.557
   37    HE2  LYS   4           HE2      LYS   4  -4.129  -2.271  -6.057
   38    HE3  LYS   4           HE3      LYS   4  -4.805  -1.174  -4.870
   39    HZ1  LYS   4           HZ1      LYS   4  -3.829  -0.487  -7.292
   40    HZ2  LYS   4           HZ2      LYS   4  -4.165   0.547  -6.073
   41    HZ3  LYS   4           HZ3      LYS   4  -2.643  -0.009  -6.276
   42    H    LYS   5           H        LYS   5  -3.992  -1.442   1.291
   43    HA   LYS   5           HA       LYS   5  -5.208  -4.002   0.644
   44    HB2  LYS   5           HB2      LYS   5  -4.495  -2.751   3.031
   45    HB3  LYS   5           HB3      LYS   5  -6.240  -2.597   2.987
   46    HG2  LYS   5           HG2      LYS   5  -6.415  -5.066   2.495
   47    HG3  LYS   5           HG3      LYS   5  -4.673  -5.195   2.627
   48    HD2  LYS   5           HD2      LYS   5  -4.689  -4.654   4.963
   49    HD3  LYS   5           HD3      LYS   5  -6.318  -4.009   4.893
   50    HE2  LYS   5           HE2      LYS   5  -7.200  -6.304   4.398
   51    HE3  LYS   5           HE3      LYS   5  -5.572  -6.946   4.480
   52    HZ1  LYS   5           HZ1      LYS   5  -6.140  -7.237   6.605
   53    HZ2  LYS   5           HZ2      LYS   5  -5.714  -5.670   6.782
   54    HZ3  LYS   5           HZ3      LYS   5  -7.287  -6.074   6.611
   55    H    ARG   6           H        ARG   6  -6.373  -0.682   1.575
   56    HA   ARG   6           HA       ARG   6  -8.288  -0.909  -0.565
   57    HB2  ARG   6           HB2      ARG   6  -9.131  -1.631   1.930
   58    HB3  ARG   6           HB3      ARG   6  -9.393   0.098   2.044
   59    HG2  ARG   6           HG2      ARG   6 -10.853   0.089   0.092
   60    HG3  ARG   6           HG3      ARG   6 -10.430  -1.567  -0.291
   61    HD2  ARG   6           HD2      ARG   6 -11.336  -1.811   2.328
   62    HD3  ARG   6           HD3      ARG   6 -12.363  -0.530   1.715
   63    HE   ARG   6           HE       ARG   6 -12.406  -2.446  -0.308
   64   HH11  ARG   6          HH2       ARG   6 -13.148  -2.449   3.132
   65   HH12  ARG   6          HH2       ARG   6 -14.335  -3.705   3.004
   66   HH21  ARG   6          HH1       ARG   6 -13.971  -4.102  -0.477
   67   HH22  ARG   6          HH1       ARG   6 -14.806  -4.651   0.938
   68    H    ARG   7           H        ARG   7  -7.302   0.852  -1.649
   69    HA   ARG   7           HA       ARG   7  -7.258   2.990  -2.154
   70    HB2  ARG   7           HB2      ARG   7  -8.949   3.161   0.035
   71    HB3  ARG   7           HB3      ARG   7  -7.604   4.143   0.580
   72    HG2  ARG   7           HG2      ARG   7  -7.755   5.310  -1.756
   73    HG3  ARG   7           HG3      ARG   7  -9.320   4.536  -1.902
   74    HD2  ARG   7           HD2      ARG   7  -9.085   5.781   0.728
   75    HD3  ARG   7           HD3      ARG   7  -8.710   6.956  -0.518
   76    HE   ARG   7           HE       ARG   7 -11.088   5.400  -1.168
   77   HH11  ARG   7          HH2       ARG   7  -9.913   8.158   0.675
   78   HH12  ARG   7          HH2       ARG   7 -11.450   8.955   0.705
   79   HH21  ARG   7          HH1       ARG   7 -13.116   6.451  -1.128
   80   HH22  ARG   7          HH1       ARG   7 -13.285   7.978  -0.327
   81    H    TRP   8           H        TRP   8  -5.601   1.441   0.467
   82    HA   TRP   8           HA       TRP   8  -3.694   3.459   1.026
   83    HB2  TRP   8           HB2      TRP   8  -4.061   0.575   1.662
   84    HB3  TRP   8           HB3      TRP   8  -2.439   1.229   1.793
   85    HD1  TRP   8           HD1      TRP   8  -2.841   3.983   3.174
   86    HE1  TRP   8           HE1      TRP   8  -3.822   4.308   5.603
   87    HE3  TRP   8           HE3      TRP   8  -5.268  -0.483   3.363
   88    HZ2  TRP   8           HZ2      TRP   8  -5.464   2.699   7.292
   89    HZ3  TRP   8           HZ3      TRP   8  -6.537  -1.027   5.439
   90    HH2  TRP   8           HH2      TRP   8  -6.659   0.478   7.360
   91    H    LYS   9           H        LYS   9  -1.456   3.531   0.299
   92    HA   LYS   9           HA       LYS   9  -0.458   1.780  -1.647
   93    HB2  LYS   9           HB2      LYS   9  -2.316   3.097  -2.908
   94    HB3  LYS   9           HB3      LYS   9  -1.187   4.437  -2.868
   95    HG2  LYS   9           HG2      LYS   9  -0.063   1.794  -3.734
   96    HG3  LYS   9           HG3      LYS   9  -1.200   2.544  -4.836
   97    HD2  LYS   9           HD2      LYS   9   0.595   4.601  -3.905
   98    HD3  LYS   9           HD3      LYS   9   1.570   3.224  -4.381
   99    HE2  LYS   9           HE2      LYS   9   0.159   3.162  -6.557
  100    HE3  LYS   9           HE3      LYS   9  -0.461   4.731  -6.083
  101    HZ1  LYS   9           HZ1      LYS   9   1.678   4.504  -7.508
  102    HZ2  LYS   9           HZ2      LYS   9   1.547   5.693  -6.395
  103    HZ3  LYS   9           HZ3      LYS   9   2.413   4.349  -6.058
  104    H    LYS  10           H        LYS  10   0.777   2.304   0.557
  105    HA   LYS  10           HA       LYS  10   2.473   4.647   0.116
  106    HB2  LYS  10           HB2      LYS  10   1.150   4.009   2.343
  107    HB3  LYS  10           HB3      LYS  10   2.577   3.033   2.631
  108    HG2  LYS  10           HG2      LYS  10   3.562   5.531   1.692
  109    HG3  LYS  10           HG3      LYS  10   2.266   5.937   2.800
  110    HD2  LYS  10           HD2      LYS  10   4.249   3.819   3.640
  111    HD3  LYS  10           HD3      LYS  10   4.764   5.493   3.675
  112    HE2  LYS  10           HE2      LYS  10   2.799   6.071   5.114
  113    HE3  LYS  10           HE3      LYS  10   2.274   4.398   5.073
  114    HZ1  LYS  10           HZ1      LYS  10   4.955   4.497   5.832
  115    HZ2  LYS  10           HZ2      LYS  10   4.116   5.534   6.773
  116    HZ3  LYS  10           HZ3      LYS  10   3.675   3.964   6.694
  117    H    ALA  11           H        ALA  11   3.590   3.593  -1.691
  118    HA   ALA  11           HA       ALA  11   4.813   1.151  -1.605
  119    HB1  ALA  11           HB1      ALA  11   4.860   3.522  -3.200
  120    HB2  ALA  11           HB2      ALA  11   6.548   3.048  -2.897
  121    HB3  ALA  11           HB3      ALA  11   5.418   1.890  -3.637
  122    H    LYS  12           H        LYS  12   6.831   4.127  -1.273
  123    HA   LYS  12           HA       LYS  12   8.704   4.455  -0.131
  124    HB2  LYS  12           HB2      LYS  12   6.551   4.120   1.665
  125    HB3  LYS  12           HB3      LYS  12   7.913   3.300   2.400
  126    HG2  LYS  12           HG2      LYS  12   9.252   5.488   1.672
  127    HG3  LYS  12           HG3      LYS  12   7.657   6.211   1.610
  128    HD2  LYS  12           HD2      LYS  12   7.241   5.462   3.973
  129    HD3  LYS  12           HD3      LYS  12   8.857   4.784   4.031
  130    HE2  LYS  12           HE2      LYS  12   9.902   6.902   3.998
  131    HE3  LYS  12           HE3      LYS  12   8.533   7.684   3.232
  132    HZ1  LYS  12           HZ1      LYS  12   7.449   6.855   5.499
  133    HZ2  LYS  12           HZ2      LYS  12   8.978   7.122   6.007
  134    HZ3  LYS  12           HZ3      LYS  12   8.126   8.330   5.310
  135    HA   DPR  13           HA       DPR  13  11.517   1.197   0.374
  136    HB2  DPR  13           HB2      DPR  13  12.821   1.303  -2.022
  137    HB3  DPR  13           HB3      DPR  13  12.782   2.673  -0.900
  138    HG2  DPR  13           HG2      DPR  13  11.932   3.672  -2.974
  139    HG3  DPR  13           HG3      DPR  13  10.975   2.217  -3.345
  140    HD2  DPR  13           HD2      DPR  13   9.238   3.462  -2.315
  141    HD3  DPR  13           HD3      DPR  13  10.376   4.378  -1.278
  142    HA   PRO  14           HA       PRO  14  11.256  -2.813  -1.413
  143    HB2  PRO  14           HB2      PRO  14  10.346  -4.199   0.820
  144    HB3  PRO  14           HB3      PRO  14  11.968  -3.514   0.651
  145    HG2  PRO  14           HG2      PRO  14   9.567  -2.257   2.091
  146    HG3  PRO  14           HG3      PRO  14  11.222  -2.455   2.711
  147    HD2  PRO  14           HD2      PRO  14  10.373  -0.058   1.598
  148    HD3  PRO  14           HD3      PRO  14  12.051  -0.621   1.355
  Start of MODEL    6
    1    H1   THR   1           H        THR   1   8.693  -2.402  -0.369
    2    HA   THR   1           HA       THR   1   6.765  -3.433  -1.168
    3    HB   THR   1           HB       THR   1   7.446  -5.215   1.103
    4    HG1  THR   1           HG1      THR   1   6.932  -6.603  -0.604
    5   HG21  THR   1          HG2       THR   1   5.113  -6.094   1.301
    6   HG22  THR   1          HG2       THR   1   5.219  -4.435   1.937
    7   HG23  THR   1          HG2       THR   1   4.520  -4.728   0.325
    8    H    TRP   2           H        TRP   2   5.058  -2.109  -1.250
    9    HA   TRP   2           HA       TRP   2   4.682  -0.321   1.000
   10    HB2  TRP   2           HB2      TRP   2   2.822   0.309  -0.965
   11    HB3  TRP   2           HB3      TRP   2   4.349   1.108  -0.645
   12    HD1  TRP   2           HD1      TRP   2   6.544  -0.282  -2.056
   13    HE1  TRP   2           HE1      TRP   2   6.652  -1.002  -4.592
   14    HE3  TRP   2           HE3      TRP   2   1.515  -0.281  -2.814
   15    HZ2  TRP   2           HZ2      TRP   2   4.667  -1.480  -6.586
   16    HZ3  TRP   2           HZ3      TRP   2   0.684  -0.886  -5.084
   17    HH2  TRP   2           HH2      TRP   2   2.168  -1.471  -6.935
   18    H    LEU   3           H        LEU   3   2.262   0.155   1.568
   19    HA   LEU   3           HA       LEU   3   0.992  -2.445   1.969
   20    HB2  LEU   3           HB2      LEU   3   1.587  -0.379   3.700
   21    HB3  LEU   3           HB3      LEU   3  -0.117  -0.132   3.374
   22    HG   LEU   3           HG       LEU   3   0.118  -1.472   5.349
   23   HD11  LEU   3          HD1       LEU   3  -0.686  -3.506   3.289
   24   HD12  LEU   3          HD1       LEU   3  -1.411  -3.142   4.873
   25   HD13  LEU   3          HD1       LEU   3  -1.639  -2.019   3.512
   26   HD21  LEU   3          HD2       LEU   3   1.910  -3.217   3.658
   27   HD22  LEU   3          HD2       LEU   3   2.279  -2.396   5.193
   28   HD23  LEU   3          HD2       LEU   3   1.166  -3.785   5.172
   29    H    LYS   4           H        LYS   4  -1.312  -2.699   1.600
   30    HA   LYS   4           HA       LYS   4  -2.848  -0.689   0.397
   31    HB2  LYS   4           HB2      LYS   4  -2.961  -1.554  -1.905
   32    HB3  LYS   4           HB3      LYS   4  -1.377  -0.916  -1.509
   33    HG2  LYS   4           HG2      LYS   4  -0.402  -3.083  -1.336
   34    HG3  LYS   4           HG3      LYS   4  -1.954  -3.871  -1.131
   35    HD2  LYS   4           HD2      LYS   4  -2.410  -3.894  -3.402
   36    HD3  LYS   4           HD3      LYS   4  -1.611  -2.362  -3.692
   37    HE2  LYS   4           HE2      LYS   4   0.587  -3.386  -3.645
   38    HE3  LYS   4           HE3      LYS   4  -0.048  -4.886  -2.998
   39    HZ1  LYS   4           HZ1      LYS   4   0.026  -3.992  -5.685
   40    HZ2  LYS   4           HZ2      LYS   4  -0.168  -5.505  -5.101
   41    HZ3  LYS   4           HZ3      LYS   4  -1.461  -4.519  -5.263
   42    H    LYS   5           H        LYS   5  -4.950  -1.230   0.748
   43    HA   LYS   5           HA       LYS   5  -5.580  -4.080   0.907
   44    HB2  LYS   5           HB2      LYS   5  -5.086  -3.072   3.201
   45    HB3  LYS   5           HB3      LYS   5  -6.532  -2.105   2.990
   46    HG2  LYS   5           HG2      LYS   5  -7.962  -4.002   2.974
   47    HG3  LYS   5           HG3      LYS   5  -6.664  -5.103   2.556
   48    HD2  LYS   5           HD2      LYS   5  -6.379  -3.616   5.151
   49    HD3  LYS   5           HD3      LYS   5  -7.626  -4.846   5.087
   50    HE2  LYS   5           HE2      LYS   5  -5.132  -5.811   3.869
   51    HE3  LYS   5           HE3      LYS   5  -4.858  -5.262   5.510
   52    HZ1  LYS   5           HZ1      LYS   5  -6.729  -6.655   6.188
   53    HZ2  LYS   5           HZ2      LYS   5  -6.883  -7.215   4.661
   54    HZ3  LYS   5           HZ3      LYS   5  -5.527  -7.530   5.514
   55    H    ARG   6           H        ARG   6  -7.287  -0.929   1.497
   56    HA   ARG   6           HA       ARG   6  -8.765  -1.389  -0.922
   57    HB2  ARG   6           HB2      ARG   6  -9.969  -2.510   1.101
   58    HB3  ARG   6           HB3      ARG   6 -10.277  -0.885   1.678
   59    HG2  ARG   6           HG2      ARG   6 -12.079  -0.767   0.312
   60    HG3  ARG   6           HG3      ARG   6 -11.010  -0.861  -1.074
   61    HD2  ARG   6           HD2      ARG   6 -11.063  -3.500  -0.439
   62    HD3  ARG   6           HD3      ARG   6 -12.610  -3.043   0.246
   63    HE   ARG   6           HE       ARG   6 -12.533  -1.871  -2.317
   64   HH11  ARG   6          HH2       ARG   6 -12.421  -5.117  -0.965
   65   HH12  ARG   6          HH2       ARG   6 -13.145  -5.858  -2.354
   66   HH21  ARG   6          HH1       ARG   6 -13.488  -2.847  -4.149
   67   HH22  ARG   6          HH1       ARG   6 -13.755  -4.558  -4.177
   68    H    ARG   7           H        ARG   7  -6.840   0.561  -0.528
   69    HA   ARG   7           HA       ARG   7  -7.869   2.815  -1.312
   70    HB2  ARG   7           HB2      ARG   7  -8.515   2.503   1.570
   71    HB3  ARG   7           HB3      ARG   7  -7.722   4.023   1.209
   72    HG2  ARG   7           HG2      ARG   7  -9.737   3.464  -0.824
   73    HG3  ARG   7           HG3      ARG   7 -10.459   3.344   0.769
   74    HD2  ARG   7           HD2      ARG   7  -8.662   5.703   0.135
   75    HD3  ARG   7           HD3      ARG   7 -10.312   5.701  -0.455
   76    HE   ARG   7           HE       ARG   7 -10.313   4.986   2.328
   77   HH11  ARG   7          HH2       ARG   7  -9.795   7.762   0.227
   78   HH12  ARG   7          HH2       ARG   7 -10.276   8.918   1.424
   79   HH21  ARG   7          HH1       ARG   7 -10.950   6.512   3.906
   80   HH22  ARG   7          HH1       ARG   7 -10.938   8.202   3.530
   81    H    TRP   8           H        TRP   8  -5.614   1.119   0.765
   82    HA   TRP   8           HA       TRP   8  -3.699   3.285   0.805
   83    HB2  TRP   8           HB2      TRP   8  -3.626   0.448   1.840
   84    HB3  TRP   8           HB3      TRP   8  -2.281   1.565   1.958
   85    HD1  TRP   8           HD1      TRP   8  -2.800   3.860   3.523
   86    HE1  TRP   8           HE1      TRP   8  -4.259   4.207   5.695
   87    HE3  TRP   8           HE3      TRP   8  -5.623  -0.327   2.929
   88    HZ2  TRP   8           HZ2      TRP   8  -6.382   2.724   6.893
   89    HZ3  TRP   8           HZ3      TRP   8  -7.368  -0.804   4.645
   90    HH2  TRP   8           HH2      TRP   8  -7.769   0.642   6.575
   91    H    LYS   9           H        LYS   9  -1.877   3.422  -0.531
   92    HA   LYS   9           HA       LYS   9  -0.953   1.262  -2.072
   93    HB2  LYS   9           HB2      LYS   9  -3.246   2.093  -3.165
   94    HB3  LYS   9           HB3      LYS   9  -2.186   3.286  -3.889
   95    HG2  LYS   9           HG2      LYS   9  -0.707   0.966  -4.231
   96    HG3  LYS   9           HG3      LYS   9  -2.343   0.354  -4.372
   97    HD2  LYS   9           HD2      LYS   9  -2.255   2.801  -5.864
   98    HD3  LYS   9           HD3      LYS   9  -0.813   1.902  -6.294
   99    HE2  LYS   9           HE2      LYS   9  -2.108   0.661  -7.688
  100    HE3  LYS   9           HE3      LYS   9  -2.833  -0.062  -6.266
  101    HZ1  LYS   9           HZ1      LYS   9  -3.960   1.770  -8.075
  102    HZ2  LYS   9           HZ2      LYS   9  -4.695   0.890  -6.911
  103    HZ3  LYS   9           HZ3      LYS   9  -4.062   2.353  -6.553
  104    H    LYS  10           H        LYS  10   0.729   2.342  -0.616
  105    HA   LYS  10           HA       LYS  10   1.778   4.762  -1.888
  106    HB2  LYS  10           HB2      LYS  10   1.354   4.107   0.795
  107    HB3  LYS  10           HB3      LYS  10   3.084   3.920   0.580
  108    HG2  LYS  10           HG2      LYS  10   2.596   6.273  -0.818
  109    HG3  LYS  10           HG3      LYS  10   1.423   6.383   0.478
  110    HD2  LYS  10           HD2      LYS  10   3.071   6.384   2.167
  111    HD3  LYS  10           HD3      LYS  10   4.255   5.574   1.160
  112    HE2  LYS  10           HE2      LYS  10   5.045   7.805   1.217
  113    HE3  LYS  10           HE3      LYS  10   4.205   7.727  -0.320
  114    HZ1  LYS  10           HZ1      LYS  10   2.572   8.461   1.924
  115    HZ2  LYS  10           HZ2      LYS  10   3.723   9.550   1.526
  116    HZ3  LYS  10           HZ3      LYS  10   2.616   9.088   0.416
  117    H    ALA  11           H        ALA  11   4.465   4.566  -1.183
  118    HA   ALA  11           HA       ALA  11   5.449   2.002  -2.048
  119    HB1  ALA  11           HB1      ALA  11   6.456   2.738  -4.084
  120    HB2  ALA  11           HB2      ALA  11   4.764   3.287  -4.153
  121    HB3  ALA  11           HB3      ALA  11   6.059   4.440  -3.753
  122    H    LYS  12           H        LYS  12   7.414   1.625  -1.098
  123    HA   LYS  12           HA       LYS  12   9.327   3.606  -0.652
  124    HB2  LYS  12           HB2      LYS  12   9.162   4.108   1.643
  125    HB3  LYS  12           HB3      LYS  12   7.555   4.361   0.994
  126    HG2  LYS  12           HG2      LYS  12   7.180   1.819   1.688
  127    HG3  LYS  12           HG3      LYS  12   8.557   2.096   2.735
  128    HD2  LYS  12           HD2      LYS  12   7.221   3.140   4.236
  129    HD3  LYS  12           HD3      LYS  12   6.818   4.359   3.043
  130    HE2  LYS  12           HE2      LYS  12   4.824   3.312   2.427
  131    HE3  LYS  12           HE3      LYS  12   5.421   1.706   2.796
  132    HZ1  LYS  12           HZ1      LYS  12   3.761   2.675   4.368
  133    HZ2  LYS  12           HZ2      LYS  12   5.112   2.075   5.063
  134    HZ3  LYS  12           HZ3      LYS  12   4.927   3.689   4.897
  135    HA   DPR  13           HA       DPR  13  11.984   0.353   0.437
  136    HB2  DPR  13           HB2      DPR  13  13.273  -0.025  -1.940
  137    HB3  DPR  13           HB3      DPR  13  13.325   1.515  -1.065
  138    HG2  DPR  13           HG2      DPR  13  12.519   2.200  -3.280
  139    HG3  DPR  13           HG3      DPR  13  11.473   0.764  -3.401
  140    HD2  DPR  13           HD2      DPR  13   9.824   2.268  -2.599
  141    HD3  DPR  13           HD3      DPR  13  11.023   3.275  -1.729
  142    HA   PRO  14           HA       PRO  14  11.474  -3.880  -0.633
  143    HB2  PRO  14           HB2      PRO  14  10.459  -4.800   1.786
  144    HB3  PRO  14           HB3      PRO  14  12.124  -4.259   1.533
  145    HG2  PRO  14           HG2      PRO  14   9.799  -2.623   2.691
  146    HG3  PRO  14           HG3      PRO  14  11.432  -2.815   3.366
  147    HD2  PRO  14           HD2      PRO  14  10.749  -0.597   1.844
  148    HD3  PRO  14           HD3      PRO  14  12.389  -1.298   1.732
  Start of MODEL    7
    1    H1   THR   1           H        THR   1   8.052  -1.796   0.967
    2    HA   THR   1           HA       THR   1   6.427  -3.085   0.027
    3    HB   THR   1           HB       THR   1   7.757  -5.067   1.270
    4    HG1  THR   1           HG1      THR   1   4.896  -5.160   0.631
    5   HG21  THR   1          HG2       THR   1   5.065  -4.956   2.725
    6   HG22  THR   1          HG2       THR   1   6.290  -6.240   2.858
    7   HG23  THR   1          HG2       THR   1   6.628  -4.617   3.505
    8    H    TRP   2           H        TRP   2   4.669  -1.841   0.046
    9    HA   TRP   2           HA       TRP   2   3.264  -1.615   2.617
   10    HB2  TRP   2           HB2      TRP   2   4.485   0.478   1.112
   11    HB3  TRP   2           HB3      TRP   2   2.747   0.678   1.008
   12    HD1  TRP   2           HD1      TRP   2   5.463   0.312   3.785
   13    HE1  TRP   2           HE1      TRP   2   4.728   1.586   5.976
   14    HE3  TRP   2           HE3      TRP   2   0.854   1.639   2.096
   15    HZ2  TRP   2           HZ2      TRP   2   2.355   2.975   6.739
   16    HZ3  TRP   2           HZ3      TRP   2  -0.609   2.954   3.627
   17    HH2  TRP   2           HH2      TRP   2   0.075   3.620   5.877
   18    H    LEU   3           H        LEU   3   3.113  -1.293  -0.998
   19    HA   LEU   3           HA       LEU   3   1.560  -1.851  -2.463
   20    HB2  LEU   3           HB2      LEU   3   0.370  -3.709  -0.414
   21    HB3  LEU   3           HB3      LEU   3   0.313  -3.838  -2.160
   22    HG   LEU   3           HG       LEU   3   3.037  -3.842  -1.006
   23   HD11  LEU   3          HD1       LEU   3   2.514  -6.453  -0.597
   24   HD12  LEU   3          HD1       LEU   3   2.475  -5.223   0.690
   25   HD13  LEU   3          HD1       LEU   3   0.962  -5.748  -0.086
   26   HD21  LEU   3          HD2       LEU   3   1.854  -5.896  -2.855
   27   HD22  LEU   3          HD2       LEU   3   2.240  -4.262  -3.442
   28   HD23  LEU   3          HD2       LEU   3   3.522  -5.285  -2.752
   29    H    LYS   4           H        LYS   4  -0.696  -1.468  -3.095
   30    HA   LYS   4           HA       LYS   4  -2.040   0.233  -1.112
   31    HB2  LYS   4           HB2      LYS   4  -1.027   1.282  -3.242
   32    HB3  LYS   4           HB3      LYS   4  -2.332   0.495  -4.105
   33    HG2  LYS   4           HG2      LYS   4  -4.020   1.687  -2.838
   34    HG3  LYS   4           HG3      LYS   4  -2.843   2.257  -1.672
   35    HD2  LYS   4           HD2      LYS   4  -2.634   4.136  -2.927
   36    HD3  LYS   4           HD3      LYS   4  -1.822   3.161  -4.135
   37    HE2  LYS   4           HE2      LYS   4  -4.831   3.092  -4.123
   38    HE3  LYS   4           HE3      LYS   4  -4.072   4.570  -4.681
   39    HZ1  LYS   4           HZ1      LYS   4  -3.536   3.568  -6.551
   40    HZ2  LYS   4           HZ2      LYS   4  -2.787   2.335  -5.789
   41    HZ3  LYS   4           HZ3      LYS   4  -4.389   2.254  -6.093
   42    H    LYS   5           H        LYS   5  -2.973  -1.818  -0.267
   43    HA   LYS   5           HA       LYS   5  -4.740  -3.242  -2.026
   44    HB2  LYS   5           HB2      LYS   5  -3.378  -3.808   0.350
   45    HB3  LYS   5           HB3      LYS   5  -5.065  -3.762   0.824
   46    HG2  LYS   5           HG2      LYS   5  -4.861  -5.985   0.116
   47    HG3  LYS   5           HG3      LYS   5  -5.457  -5.225  -1.346
   48    HD2  LYS   5           HD2      LYS   5  -2.929  -4.883  -1.956
   49    HD3  LYS   5           HD3      LYS   5  -2.605  -6.056  -0.695
   50    HE2  LYS   5           HE2      LYS   5  -4.621  -6.639  -2.900
   51    HE3  LYS   5           HE3      LYS   5  -2.909  -6.929  -3.142
   52    HZ1  LYS   5           HZ1      LYS   5  -4.675  -8.575  -1.884
   53    HZ2  LYS   5           HZ2      LYS   5  -3.051  -8.745  -1.926
   54    HZ3  LYS   5           HZ3      LYS   5  -3.759  -7.975  -0.672
   55    H    ARG   6           H        ARG   6  -5.528  -1.919   1.239
   56    HA   ARG   6           HA       ARG   6  -7.655  -0.414  -0.014
   57    HB2  ARG   6           HB2      ARG   6  -8.261  -2.844   1.041
   58    HB3  ARG   6           HB3      ARG   6  -8.336  -1.903   2.517
   59    HG2  ARG   6           HG2      ARG   6 -10.540  -1.709   1.744
   60    HG3  ARG   6           HG3      ARG   6  -9.826  -0.244   1.100
   61    HD2  ARG   6           HD2      ARG   6  -9.316  -1.626  -1.047
   62    HD3  ARG   6           HD3      ARG   6 -10.391  -2.843  -0.388
   63    HE   ARG   6           HE       ARG   6 -11.160  -0.187  -1.408
   64   HH11  ARG   6          HH2       ARG   6 -12.141  -3.006   0.456
   65   HH12  ARG   6          HH2       ARG   6 -13.836  -2.694   0.275
   66   HH21  ARG   6          HH1       ARG   6 -13.395   0.225  -1.646
   67   HH22  ARG   6          HH1       ARG   6 -14.554  -0.844  -0.928
   68    H    ARG   7           H        ARG   7  -7.306   1.673   0.683
   69    HA   ARG   7           HA       ARG   7  -7.249   3.319   2.136
   70    HB2  ARG   7           HB2      ARG   7  -7.873   1.285   3.908
   71    HB3  ARG   7           HB3      ARG   7  -6.324   1.807   4.541
   72    HG2  ARG   7           HG2      ARG   7  -7.236   3.694   5.414
   73    HG3  ARG   7           HG3      ARG   7  -7.926   4.143   3.868
   74    HD2  ARG   7           HD2      ARG   7  -9.866   2.617   4.283
   75    HD3  ARG   7           HD3      ARG   7  -9.173   2.152   5.824
   76    HE   ARG   7           HE       ARG   7  -9.908   4.176   6.743
   77   HH11  ARG   7          HH2       ARG   7  -9.950   4.420   3.233
   78   HH12  ARG   7          HH2       ARG   7 -10.747   5.959   3.222
   79   HH21  ARG   7          HH1       ARG   7 -10.957   6.206   6.729
   80   HH22  ARG   7          HH1       ARG   7 -11.323   6.981   5.225
   81    H    TRP   8           H        TRP   8  -4.836   0.873   1.678
   82    HA   TRP   8           HA       TRP   8  -2.682   2.313   2.909
   83    HB2  TRP   8           HB2      TRP   8  -2.911  -0.181   1.250
   84    HB3  TRP   8           HB3      TRP   8  -1.347   0.544   1.568
   85    HD1  TRP   8           HD1      TRP   8  -1.343   1.188   4.576
   86    HE1  TRP   8           HE1      TRP   8  -1.616  -0.583   6.513
   87    HE3  TRP   8           HE3      TRP   8  -3.656  -2.339   1.735
   88    HZ2  TRP   8           HZ2      TRP   8  -2.745  -3.201   6.637
   89    HZ3  TRP   8           HZ3      TRP   8  -4.311  -4.474   2.841
   90    HH2  TRP   8           HH2      TRP   8  -3.891  -4.933   5.205
   91    H    LYS   9           H        LYS   9  -0.645   2.276   1.036
   92    HA   LYS   9           HA       LYS   9  -1.716   3.902  -1.161
   93    HB2  LYS   9           HB2      LYS   9  -0.271   4.899   0.962
   94    HB3  LYS   9           HB3      LYS   9   0.983   4.608  -0.226
   95    HG2  LYS   9           HG2      LYS   9  -0.506   5.828  -1.935
   96    HG3  LYS   9           HG3      LYS   9  -1.537   6.287  -0.593
   97    HD2  LYS   9           HD2      LYS   9   1.059   6.938   0.298
   98    HD3  LYS   9           HD3      LYS   9   1.075   7.383  -1.397
   99    HE2  LYS   9           HE2      LYS   9  -0.602   9.002  -1.141
  100    HE3  LYS   9           HE3      LYS   9  -1.333   8.190   0.228
  101    HZ1  LYS   9           HZ1      LYS   9   0.276   8.997   1.637
  102    HZ2  LYS   9           HZ2      LYS   9   1.351   9.317   0.450
  103    HZ3  LYS   9           HZ3      LYS   9   0.035  10.267   0.638
  104    H    LYS  10           H        LYS  10   0.527   4.252  -2.683
  105    HA   LYS  10           HA       LYS  10   0.724   2.039  -4.176
  106    HB2  LYS  10           HB2      LYS  10   1.616   4.213  -4.824
  107    HB3  LYS  10           HB3      LYS  10   2.895   4.085  -3.632
  108    HG2  LYS  10           HG2      LYS  10   3.121   1.685  -5.072
  109    HG3  LYS  10           HG3      LYS  10   2.700   2.854  -6.308
  110    HD2  LYS  10           HD2      LYS  10   4.679   4.034  -6.074
  111    HD3  LYS  10           HD3      LYS  10   4.771   3.756  -4.346
  112    HE2  LYS  10           HE2      LYS  10   6.484   2.342  -4.993
  113    HE3  LYS  10           HE3      LYS  10   5.157   1.205  -5.148
  114    HZ1  LYS  10           HZ1      LYS  10   6.692   1.470  -7.102
  115    HZ2  LYS  10           HZ2      LYS  10   5.094   1.524  -7.430
  116    HZ3  LYS  10           HZ3      LYS  10   5.966   2.904  -7.389
  117    H    ALA  11           H        ALA  11   3.757   2.792  -2.436
  118    HA   ALA  11           HA       ALA  11   3.730   0.593  -0.718
  119    HB1  ALA  11           HB1      ALA  11   3.782  -0.447  -3.143
  120    HB2  ALA  11           HB2      ALA  11   5.499   0.017  -3.088
  121    HB3  ALA  11           HB3      ALA  11   4.839  -1.100  -1.869
  122    H    LYS  12           H        LYS  12   6.224   1.847  -3.047
  123    HA   LYS  12           HA       LYS  12   8.118   2.927  -2.717
  124    HB2  LYS  12           HB2      LYS  12   6.234   4.195  -0.854
  125    HB3  LYS  12           HB3      LYS  12   7.910   4.403  -0.388
  126    HG2  LYS  12           HG2      LYS  12   8.197   4.935  -3.019
  127    HG3  LYS  12           HG3      LYS  12   6.500   5.348  -2.877
  128    HD2  LYS  12           HD2      LYS  12   7.412   6.659  -0.683
  129    HD3  LYS  12           HD3      LYS  12   8.890   6.673  -1.625
  130    HE2  LYS  12           HE2      LYS  12   6.420   7.409  -3.138
  131    HE3  LYS  12           HE3      LYS  12   6.885   8.539  -1.882
  132    HZ1  LYS  12           HZ1      LYS  12   8.909   8.909  -2.889
  133    HZ2  LYS  12           HZ2      LYS  12   8.863   7.546  -3.788
  134    HZ3  LYS  12           HZ3      LYS  12   7.897   8.807  -4.168
  135    HA   DPR  13           HA       DPR  13  10.869   1.587   0.513
  136    HB2  DPR  13           HB2      DPR  13  12.826   0.590  -1.108
  137    HB3  DPR  13           HB3      DPR  13  12.428   2.315  -1.050
  138    HG2  DPR  13           HG2      DPR  13  12.216   1.811  -3.442
  139    HG3  DPR  13           HG3      DPR  13  11.441   0.245  -3.097
  140    HD2  DPR  13           HD2      DPR  13   9.453   1.495  -3.428
  141    HD3  DPR  13           HD3      DPR  13  10.211   3.028  -2.898
  142    HA   PRO  14           HA       PRO  14  11.136  -2.697   1.418
  143    HB2  PRO  14           HB2      PRO  14   9.649  -2.720   3.767
  144    HB3  PRO  14           HB3      PRO  14  11.240  -1.969   3.590
  145    HG2  PRO  14           HG2      PRO  14   8.506  -0.580   3.429
  146    HG3  PRO  14           HG3      PRO  14   9.917  -0.090   4.392
  147    HD2  PRO  14           HD2      PRO  14   9.384   1.060   1.923
  148    HD3  PRO  14           HD3      PRO  14  11.071   0.774   2.439
  Start of MODEL    8
    1    H1   THR   1           H        THR   1   8.360  -3.439   0.950
    2    HA   THR   1           HA       THR   1   7.206  -2.885  -1.659
    3    HB   THR   1           HB       THR   1   7.660  -5.240   0.151
    4    HG1  THR   1           HG1      THR   1   8.952  -5.193  -1.680
    5   HG21  THR   1          HG2       THR   1   6.079  -6.421  -1.691
    6   HG22  THR   1          HG2       THR   1   5.417  -5.861  -0.137
    7   HG23  THR   1          HG2       THR   1   5.226  -4.862  -1.599
    8    H    TRP   2           H        TRP   2   5.108  -2.397  -2.108
    9    HA   TRP   2           HA       TRP   2   3.532  -1.584   0.188
   10    HB2  TRP   2           HB2      TRP   2   2.063  -1.012  -2.065
   11    HB3  TRP   2           HB3      TRP   2   3.114   0.088  -1.195
   12    HD1  TRP   2           HD1      TRP   2   5.856  -0.041  -2.198
   13    HE1  TRP   2           HE1      TRP   2   6.713  -0.022  -4.694
   14    HE3  TRP   2           HE3      TRP   2   1.477  -1.593  -4.265
   15    HZ2  TRP   2           HZ2      TRP   2   5.489  -0.644  -7.196
   16    HZ3  TRP   2           HZ3      TRP   2   1.393  -1.861  -6.741
   17    HH2  TRP   2           HH2      TRP   2   3.306  -1.415  -8.196
   18    H    LEU   3           H        LEU   3   1.563  -2.560   0.777
   19    HA   LEU   3           HA       LEU   3   1.158  -5.197  -0.379
   20    HB2  LEU   3           HB2      LEU   3   1.390  -4.865   2.070
   21    HB3  LEU   3           HB3      LEU   3  -0.081  -3.913   2.058
   22    HG   LEU   3           HG       LEU   3  -0.426  -6.549   0.820
   23   HD11  LEU   3          HD1       LEU   3   0.628  -6.348   3.635
   24   HD12  LEU   3          HD1       LEU   3  -0.454  -7.670   3.139
   25   HD13  LEU   3          HD1       LEU   3   1.112  -7.450   2.323
   26   HD21  LEU   3          HD2       LEU   3  -1.847  -5.181   3.121
   27   HD22  LEU   3          HD2       LEU   3  -2.263  -5.010   1.399
   28   HD23  LEU   3          HD2       LEU   3  -2.421  -6.592   2.199
   29    H    LYS   4           H        LYS   4  -0.543  -2.067   0.177
   30    HA   LYS   4           HA       LYS   4  -2.254  -1.144  -0.873
   31    HB2  LYS   4           HB2      LYS   4  -1.042  -1.955  -2.930
   32    HB3  LYS   4           HB3      LYS   4  -2.080  -3.367  -2.926
   33    HG2  LYS   4           HG2      LYS   4  -3.811  -1.111  -2.619
   34    HG3  LYS   4           HG3      LYS   4  -2.663  -0.675  -3.870
   35    HD2  LYS   4           HD2      LYS   4  -3.310  -3.320  -4.522
   36    HD3  LYS   4           HD3      LYS   4  -4.832  -2.686  -3.930
   37    HE2  LYS   4           HE2      LYS   4  -5.032  -1.959  -6.111
   38    HE3  LYS   4           HE3      LYS   4  -4.123  -0.592  -5.499
   39    HZ1  LYS   4           HZ1      LYS   4  -2.133  -2.128  -6.104
   40    HZ2  LYS   4           HZ2      LYS   4  -3.205  -2.798  -7.137
   41    HZ3  LYS   4           HZ3      LYS   4  -2.852  -1.207  -7.245
   42    H    LYS   5           H        LYS   5  -4.385  -1.126  -0.295
   43    HA   LYS   5           HA       LYS   5  -5.975  -3.457  -0.344
   44    HB2  LYS   5           HB2      LYS   5  -4.460  -3.852   1.681
   45    HB3  LYS   5           HB3      LYS   5  -5.299  -2.520   2.450
   46    HG2  LYS   5           HG2      LYS   5  -6.638  -4.286   3.160
   47    HG3  LYS   5           HG3      LYS   5  -7.486  -3.848   1.692
   48    HD2  LYS   5           HD2      LYS   5  -5.921  -5.579   0.503
   49    HD3  LYS   5           HD3      LYS   5  -5.550  -6.154   2.116
   50    HE2  LYS   5           HE2      LYS   5  -8.341  -5.980   2.164
   51    HE3  LYS   5           HE3      LYS   5  -8.021  -6.499   0.521
   52    HZ1  LYS   5           HZ1      LYS   5  -6.409  -7.898   2.362
   53    HZ2  LYS   5           HZ2      LYS   5  -7.989  -8.061   2.741
   54    HZ3  LYS   5           HZ3      LYS   5  -7.457  -8.484   1.256
   55    H    ARG   6           H        ARG   6  -5.393  -0.230   1.180
   56    HA   ARG   6           HA       ARG   6  -7.568   0.878  -0.113
   57    HB2  ARG   6           HB2      ARG   6  -8.593  -0.653   1.846
   58    HB3  ARG   6           HB3      ARG   6  -8.168   0.720   2.851
   59    HG2  ARG   6           HG2      ARG   6 -10.135   1.659   2.208
   60    HG3  ARG   6           HG3      ARG   6  -9.397   1.925   0.641
   61    HD2  ARG   6           HD2      ARG   6 -11.414   0.734   0.161
   62    HD3  ARG   6           HD3      ARG   6 -10.150  -0.471   0.022
   63    HE   ARG   6           HE       ARG   6 -11.036  -0.484   2.727
   64   HH11  ARG   6          HH2       ARG   6 -12.282  -1.253  -0.473
   65   HH12  ARG   6          HH2       ARG   6 -13.395  -2.446   0.107
   66   HH21  ARG   6          HH1       ARG   6 -12.504  -2.059   3.493
   67   HH22  ARG   6          HH1       ARG   6 -13.522  -2.909   2.378
   68    H    ARG   7           H        ARG   7  -4.855   1.546   0.252
   69    HA   ARG   7           HA       ARG   7  -4.787   4.103   0.682
   70    HB2  ARG   7           HB2      ARG   7  -5.114   2.780   3.323
   71    HB3  ARG   7           HB3      ARG   7  -3.764   3.896   3.275
   72    HG2  ARG   7           HG2      ARG   7  -5.124   5.759   2.900
   73    HG3  ARG   7           HG3      ARG   7  -6.353   4.834   2.062
   74    HD2  ARG   7           HD2      ARG   7  -6.550   3.693   4.542
   75    HD3  ARG   7           HD3      ARG   7  -5.996   5.291   5.003
   76    HE   ARG   7           HE       ARG   7  -8.175   5.362   3.049
   77   HH11  ARG   7          HH2       ARG   7  -7.394   5.161   6.474
   78   HH12  ARG   7          HH2       ARG   7  -8.924   5.787   6.990
   79   HH21  ARG   7          HH1       ARG   7 -10.194   6.188   3.730
   80   HH22  ARG   7          HH1       ARG   7 -10.528   6.375   5.420
   81    H    TRP   8           H        TRP   8  -3.358   0.950   1.151
   82    HA   TRP   8           HA       TRP   8  -0.657   1.983   1.338
   83    HB2  TRP   8           HB2      TRP   8  -1.791  -0.817   1.272
   84    HB3  TRP   8           HB3      TRP   8  -0.076  -0.458   1.328
   85    HD1  TRP   8           HD1      TRP   8   0.763   0.894   3.660
   86    HE1  TRP   8           HE1      TRP   8  -0.064   0.757   6.163
   87    HE3  TRP   8           HE3      TRP   8  -3.763  -1.170   2.604
   88    HZ2  TRP   8           HZ2      TRP   8  -2.463  -0.177   7.392
   89    HZ3  TRP   8           HZ3      TRP   8  -5.288  -1.663   4.514
   90    HH2  TRP   8           HH2      TRP   8  -4.701  -1.200   6.841
   91    H    LYS   9           H        LYS   9  -1.868   3.020  -0.916
   92    HA   LYS   9           HA       LYS   9  -0.694   1.377  -3.050
   93    HB2  LYS   9           HB2      LYS   9  -3.175   1.394  -3.122
   94    HB3  LYS   9           HB3      LYS   9  -3.152   3.142  -3.244
   95    HG2  LYS   9           HG2      LYS   9  -1.360   2.353  -5.249
   96    HG3  LYS   9           HG3      LYS   9  -2.592   1.109  -5.316
   97    HD2  LYS   9           HD2      LYS   9  -3.925   3.653  -5.014
   98    HD3  LYS   9           HD3      LYS   9  -2.736   3.822  -6.290
   99    HE2  LYS   9           HE2      LYS   9  -4.395   2.921  -7.602
  100    HE3  LYS   9           HE3      LYS   9  -3.781   1.398  -6.990
  101    HZ1  LYS   9           HZ1      LYS   9  -6.119   2.892  -6.086
  102    HZ2  LYS   9           HZ2      LYS   9  -6.017   1.326  -6.539
  103    HZ3  LYS   9           HZ3      LYS   9  -5.409   1.802  -5.099
  104    H    LYS  10           H        LYS  10   0.668   3.314  -1.345
  105    HA   LYS  10           HA       LYS  10   1.254   5.315  -3.412
  106    HB2  LYS  10           HB2      LYS  10  -0.046   6.094  -1.282
  107    HB3  LYS  10           HB3      LYS  10   1.502   5.936  -0.478
  108    HG2  LYS  10           HG2      LYS  10   2.221   7.294  -2.789
  109    HG3  LYS  10           HG3      LYS  10   0.616   7.934  -2.494
  110    HD2  LYS  10           HD2      LYS  10   1.226   8.652  -0.245
  111    HD3  LYS  10           HD3      LYS  10   2.752   7.794  -0.320
  112    HE2  LYS  10           HE2      LYS  10   3.369   9.295  -2.321
  113    HE3  LYS  10           HE3      LYS  10   1.942  10.242  -1.951
  114    HZ1  LYS  10           HZ1      LYS  10   4.366  10.542  -0.818
  115    HZ2  LYS  10           HZ2      LYS  10   2.971  11.166  -0.244
  116    HZ3  LYS  10           HZ3      LYS  10   3.534   9.751   0.343
  117    H    ALA  11           H        ALA  11   2.288   2.519  -2.271
  118    HA   ALA  11           HA       ALA  11   4.249   1.524  -2.017
  119    HB1  ALA  11           HB1      ALA  11   4.510   3.192  -4.160
  120    HB2  ALA  11           HB2      ALA  11   5.846   3.770  -3.134
  121    HB3  ALA  11           HB3      ALA  11   5.775   2.060  -3.624
  122    H    LYS  12           H        LYS  12   4.887   1.270   0.066
  123    HA   LYS  12           HA       LYS  12   6.116   3.614   1.341
  124    HB2  LYS  12           HB2      LYS  12   3.849   3.059   2.246
  125    HB3  LYS  12           HB3      LYS  12   4.454   1.484   2.717
  126    HG2  LYS  12           HG2      LYS  12   5.265   2.379   4.632
  127    HG3  LYS  12           HG3      LYS  12   6.357   3.378   3.694
  128    HD2  LYS  12           HD2      LYS  12   4.016   4.786   3.374
  129    HD3  LYS  12           HD3      LYS  12   3.745   4.092   4.960
  130    HE2  LYS  12           HE2      LYS  12   6.166   4.937   5.520
  131    HE3  LYS  12           HE3      LYS  12   6.010   5.920   4.077
  132    HZ1  LYS  12           HZ1      LYS  12   5.085   7.314   5.539
  133    HZ2  LYS  12           HZ2      LYS  12   3.725   6.451   5.263
  134    HZ3  LYS  12           HZ3      LYS  12   4.629   6.149   6.589
  135    HA   DPR  13           HA       DPR  13   9.617   1.366   2.530
  136    HB2  DPR  13           HB2      DPR  13  11.456   2.298   0.739
  137    HB3  DPR  13           HB3      DPR  13  10.600   3.364   1.866
  138    HG2  DPR  13           HG2      DPR  13  10.118   4.402  -0.307
  139    HG3  DPR  13           HG3      DPR  13   9.895   2.811  -1.076
  140    HD2  DPR  13           HD2      DPR  13   7.607   3.250  -0.627
  141    HD3  DPR  13           HD3      DPR  13   7.980   4.274   0.794
  142    HA   PRO  14           HA       PRO  14  11.325  -2.146   0.514
  143    HB2  PRO  14           HB2      PRO  14  10.326  -4.118   2.202
  144    HB3  PRO  14           HB3      PRO  14  11.574  -2.947   2.648
  145    HG2  PRO  14           HG2      PRO  14   8.568  -2.769   3.243
  146    HG3  PRO  14           HG3      PRO  14   9.914  -2.552   4.384
  147    HD2  PRO  14           HD2      PRO  14   8.660  -0.378   3.198
  148    HD3  PRO  14           HD3      PRO  14  10.418  -0.342   3.517
  Start of MODEL    9
    1    H1   THR   1           H        THR   1   7.502  -3.075   0.711
    2    HA   THR   1           HA       THR   1   7.484  -3.464  -2.093
    3    HB   THR   1           HB       THR   1   6.130  -5.627  -0.398
    4    HG1  THR   1           HG1      THR   1   8.486  -5.788  -0.489
    5   HG21  THR   1          HG2       THR   1   5.177  -5.018  -2.751
    6   HG22  THR   1          HG2       THR   1   6.728  -5.612  -3.391
    7   HG23  THR   1          HG2       THR   1   5.656  -6.713  -2.492
    8    H    TRP   2           H        TRP   2   5.472  -2.858  -3.057
    9    HA   TRP   2           HA       TRP   2   4.211  -0.770  -1.889
   10    HB2  TRP   2           HB2      TRP   2   2.882  -2.714  -3.781
   11    HB3  TRP   2           HB3      TRP   2   2.480  -1.025  -3.536
   12    HD1  TRP   2           HD1      TRP   2   5.420  -3.144  -4.971
   13    HE1  TRP   2           HE1      TRP   2   6.736  -1.784  -6.810
   14    HE3  TRP   2           HE3      TRP   2   2.845   1.198  -4.354
   15    HZ2  TRP   2           HZ2      TRP   2   6.557   0.895  -7.777
   16    HZ3  TRP   2           HZ3      TRP   2   3.479   3.137  -5.786
   17    HH2  TRP   2           HH2      TRP   2   5.265   3.036  -7.452
   18    H    LEU   3           H        LEU   3   2.075  -0.527  -0.855
   19    HA   LEU   3           HA       LEU   3   1.123  -2.980   0.429
   20    HB2  LEU   3           HB2      LEU   3   2.703  -1.237   1.765
   21    HB3  LEU   3           HB3      LEU   3   1.133  -0.524   2.076
   22    HG   LEU   3           HG       LEU   3   0.580  -3.111   2.666
   23   HD11  LEU   3          HD1       LEU   3   3.304  -2.882   3.877
   24   HD12  LEU   3          HD1       LEU   3   2.320  -4.322   3.525
   25   HD13  LEU   3          HD1       LEU   3   3.156  -3.470   2.204
   26   HD21  LEU   3          HD2       LEU   3   0.590  -0.761   3.998
   27   HD22  LEU   3          HD2       LEU   3   0.234  -2.333   4.753
   28   HD23  LEU   3          HD2       LEU   3   1.864  -1.631   4.885
   29    H    LYS   4           H        LYS   4  -0.922  -3.263  -0.270
   30    HA   LYS   4           HA       LYS   4  -2.639  -0.897  -0.298
   31    HB2  LYS   4           HB2      LYS   4  -3.596  -1.514  -2.434
   32    HB3  LYS   4           HB3      LYS   4  -1.872  -1.258  -2.606
   33    HG2  LYS   4           HG2      LYS   4  -1.410  -3.591  -2.780
   34    HG3  LYS   4           HG3      LYS   4  -2.943  -4.046  -2.063
   35    HD2  LYS   4           HD2      LYS   4  -4.044  -3.951  -4.064
   36    HD3  LYS   4           HD3      LYS   4  -3.296  -2.430  -4.508
   37    HE2  LYS   4           HE2      LYS   4  -2.524  -4.062  -6.110
   38    HE3  LYS   4           HE3      LYS   4  -1.164  -3.720  -5.058
   39    HZ1  LYS   4           HZ1      LYS   4  -1.311  -5.743  -4.100
   40    HZ2  LYS   4           HZ2      LYS   4  -2.926  -5.886  -4.293
   41    HZ3  LYS   4           HZ3      LYS   4  -1.926  -6.143  -5.559
   42    H    LYS   5           H        LYS   5  -4.790  -1.293   0.325
   43    HA   LYS   5           HA       LYS   5  -5.720  -3.968   0.644
   44    HB2  LYS   5           HB2      LYS   5  -4.213  -2.852   2.799
   45    HB3  LYS   5           HB3      LYS   5  -5.892  -2.910   3.299
   46    HG2  LYS   5           HG2      LYS   5  -6.035  -5.303   2.705
   47    HG3  LYS   5           HG3      LYS   5  -4.410  -5.271   2.051
   48    HD2  LYS   5           HD2      LYS   5  -3.402  -5.190   4.156
   49    HD3  LYS   5           HD3      LYS   5  -4.749  -4.345   4.892
   50    HE2  LYS   5           HE2      LYS   5  -5.991  -6.315   5.225
   51    HE3  LYS   5           HE3      LYS   5  -5.215  -7.160   3.900
   52    HZ1  LYS   5           HZ1      LYS   5  -3.277  -7.423   5.180
   53    HZ2  LYS   5           HZ2      LYS   5  -3.787  -6.403   6.348
   54    HZ3  LYS   5           HZ3      LYS   5  -4.517  -7.851   6.154
   55    H    ARG   6           H        ARG   6  -6.196  -0.736   2.248
   56    HA   ARG   6           HA       ARG   6  -8.781  -0.681   0.933
   57    HB2  ARG   6           HB2      ARG   6  -9.019  -1.431   3.346
   58    HB3  ARG   6           HB3      ARG   6  -8.299   0.082   3.857
   59    HG2  ARG   6           HG2      ARG   6 -10.274   1.023   2.192
   60    HG3  ARG   6           HG3      ARG   6 -11.030  -0.449   2.767
   61    HD2  ARG   6           HD2      ARG   6  -9.924   0.654   5.103
   62    HD3  ARG   6           HD3      ARG   6 -10.482   2.063   4.222
   63    HE   ARG   6           HE       ARG   6 -12.704   1.366   4.530
   64   HH11  ARG   6          HH2       ARG   6 -10.520  -1.281   5.309
   65   HH12  ARG   6          HH2       ARG   6 -11.766  -2.282   5.977
   66   HH21  ARG   6          HH1       ARG   6 -14.349   0.046   5.410
   67   HH22  ARG   6          HH1       ARG   6 -13.959  -1.522   6.034
   68    H    ARG   7           H        ARG   7  -7.710   0.842  -0.556
   69    HA   ARG   7           HA       ARG   7  -7.608   2.929  -1.234
   70    HB2  ARG   7           HB2      ARG   7  -8.793   3.400   1.224
   71    HB3  ARG   7           HB3      ARG   7  -7.287   4.277   1.414
   72    HG2  ARG   7           HG2      ARG   7  -7.723   5.607  -0.591
   73    HG3  ARG   7           HG3      ARG   7  -9.106   4.618  -1.012
   74    HD2  ARG   7           HD2      ARG   7  -9.412   5.632   1.710
   75    HD3  ARG   7           HD3      ARG   7  -9.088   6.962   0.614
   76    HE   ARG   7           HE       ARG   7 -11.532   5.462   0.763
   77   HH11  ARG   7          HH2       ARG   7  -9.374   6.914  -1.606
   78   HH12  ARG   7          HH2       ARG   7 -10.622   7.159  -2.782
   79   HH21  ARG   7          HH1       ARG   7 -13.179   5.783  -0.788
   80   HH22  ARG   7          HH1       ARG   7 -12.801   6.511  -2.313
   81    H    TRP   8           H        TRP   8  -5.568   1.409   1.121
   82    HA   TRP   8           HA       TRP   8  -3.451   3.221   1.263
   83    HB2  TRP   8           HB2      TRP   8  -3.810   0.298   1.732
   84    HB3  TRP   8           HB3      TRP   8  -2.175   0.919   1.602
   85    HD1  TRP   8           HD1      TRP   8  -2.351   3.607   3.235
   86    HE1  TRP   8           HE1      TRP   8  -2.792   3.708   5.836
   87    HE3  TRP   8           HE3      TRP   8  -4.530  -0.975   3.574
   88    HZ2  TRP   8           HZ2      TRP   8  -3.977   1.900   7.699
   89    HZ3  TRP   8           HZ3      TRP   8  -5.301  -1.731   5.821
   90    HH2  TRP   8           HH2      TRP   8  -5.053  -0.376   7.840
   91    H    LYS   9           H        LYS   9  -1.326   3.068   0.133
   92    HA   LYS   9           HA       LYS   9  -1.048   1.516  -2.196
   93    HB2  LYS   9           HB2      LYS   9  -2.826   3.347  -2.800
   94    HB3  LYS   9           HB3      LYS   9  -1.442   4.417  -2.883
   95    HG2  LYS   9           HG2      LYS   9  -0.895   1.879  -4.255
   96    HG3  LYS   9           HG3      LYS   9  -2.333   2.644  -4.899
   97    HD2  LYS   9           HD2      LYS   9  -0.103   4.545  -4.434
   98    HD3  LYS   9           HD3      LYS   9   0.289   3.289  -5.592
   99    HE2  LYS   9           HE2      LYS   9  -2.224   5.024  -5.733
  100    HE3  LYS   9           HE3      LYS   9  -0.755   5.348  -6.633
  101    HZ1  LYS   9           HZ1      LYS   9  -2.657   3.187  -6.976
  102    HZ2  LYS   9           HZ2      LYS   9  -1.916   4.104  -8.105
  103    HZ3  LYS   9           HZ3      LYS   9  -1.097   2.900  -7.366
  104    H    LYS  10           H        LYS  10   0.521   1.735   0.024
  105    HA   LYS  10           HA       LYS  10   2.449   3.801  -0.218
  106    HB2  LYS  10           HB2      LYS  10   1.703   2.173   1.787
  107    HB3  LYS  10           HB3      LYS  10   3.088   1.266   1.214
  108    HG2  LYS  10           HG2      LYS  10   4.381   2.691   2.424
  109    HG3  LYS  10           HG3      LYS  10   4.030   3.904   1.210
  110    HD2  LYS  10           HD2      LYS  10   3.292   5.035   3.102
  111    HD3  LYS  10           HD3      LYS  10   1.797   4.248   2.636
  112    HE2  LYS  10           HE2      LYS  10   1.815   2.833   4.450
  113    HE3  LYS  10           HE3      LYS  10   3.545   2.570   4.360
  114    HZ1  LYS  10           HZ1      LYS  10   2.621   5.194   5.175
  115    HZ2  LYS  10           HZ2      LYS  10   2.493   3.974   6.253
  116    HZ3  LYS  10           HZ3      LYS  10   3.953   4.373   5.641
  117    H    ALA  11           H        ALA  11   4.730   3.528  -0.805
  118    HA   ALA  11           HA       ALA  11   5.253   1.230  -2.525
  119    HB1  ALA  11           HB1      ALA  11   4.300   3.272  -3.816
  120    HB2  ALA  11           HB2      ALA  11   5.867   4.042  -3.465
  121    HB3  ALA  11           HB3      ALA  11   5.807   2.535  -4.411
  122    H    LYS  12           H        LYS  12   6.456   4.291  -1.007
  123    HA   LYS  12           HA       LYS  12   9.109   3.991  -1.192
  124    HB2  LYS  12           HB2      LYS  12   9.303   5.286   0.817
  125    HB3  LYS  12           HB3      LYS  12   7.896   5.843  -0.066
  126    HG2  LYS  12           HG2      LYS  12   7.244   3.655   1.806
  127    HG3  LYS  12           HG3      LYS  12   7.951   5.036   2.623
  128    HD2  LYS  12           HD2      LYS  12   5.658   5.310   0.630
  129    HD3  LYS  12           HD3      LYS  12   5.389   5.064   2.344
  130    HE2  LYS  12           HE2      LYS  12   6.327   7.165   2.932
  131    HE3  LYS  12           HE3      LYS  12   7.229   7.296   1.436
  132    HZ1  LYS  12           HZ1      LYS  12   4.658   7.145   0.631
  133    HZ2  LYS  12           HZ2      LYS  12   4.559   8.063   1.978
  134    HZ3  LYS  12           HZ3      LYS  12   5.537   8.517   0.752
  135    HA   DPR  13           HA       DPR  13  10.387   1.266   2.270
  136    HB2  DPR  13           HB2      DPR  13  12.969   0.904   1.463
  137    HB3  DPR  13           HB3      DPR  13  12.385   2.443   2.118
  138    HG2  DPR  13           HG2      DPR  13  13.343   3.122  -0.038
  139    HG3  DPR  13           HG3      DPR  13  12.688   1.676  -0.844
  140    HD2  DPR  13           HD2      DPR  13  10.934   3.160  -1.427
  141    HD3  DPR  13           HD3      DPR  13  11.179   4.178   0.027
  142    HA   PRO  14           HA       PRO  14  10.757  -2.957   1.121
  143    HB2  PRO  14           HB2      PRO  14   8.394  -3.897   2.246
  144    HB3  PRO  14           HB3      PRO  14   9.794  -3.334   3.169
  145    HG2  PRO  14           HG2      PRO  14   7.273  -1.730   2.463
  146    HG3  PRO  14           HG3      PRO  14   8.037  -1.904   4.059
  147    HD2  PRO  14           HD2      PRO  14   8.523   0.309   2.458
  148    HD3  PRO  14           HD3      PRO  14   9.825  -0.370   3.477
  Start of MODEL   10
    1    H1   THR   1           H        THR   1   7.932  -2.630   0.554
    2    HA   THR   1           HA       THR   1   6.636  -4.180  -1.351
    3    HB   THR   1           HB       THR   1   6.670  -5.371   1.472
    4    HG1  THR   1           HG1      THR   1   7.485  -7.177   0.076
    5   HG21  THR   1          HG2       THR   1   5.196  -6.367  -1.017
    6   HG22  THR   1          HG2       THR   1   5.130  -7.057   0.623
    7   HG23  THR   1          HG2       THR   1   4.387  -5.473   0.293
    8    H    TRP   2           H        TRP   2   4.762  -3.180  -1.780
    9    HA   TRP   2           HA       TRP   2   3.879  -1.206   0.158
   10    HB2  TRP   2           HB2      TRP   2   2.222  -1.042  -2.044
   11    HB3  TRP   2           HB3      TRP   2   3.618  -0.042  -1.699
   12    HD1  TRP   2           HD1      TRP   2   6.075  -1.349  -2.708
   13    HE1  TRP   2           HE1      TRP   2   6.514  -2.355  -5.107
   14    HE3  TRP   2           HE3      TRP   2   1.176  -1.985  -3.911
   15    HZ2  TRP   2           HZ2      TRP   2   4.802  -3.282  -7.193
   16    HZ3  TRP   2           HZ3      TRP   2   0.646  -2.946  -6.149
   17    HH2  TRP   2           HH2      TRP   2   2.364  -3.587  -7.765
   18    H    LEU   3           H        LEU   3   2.151  -1.558   1.501
   19    HA   LEU   3           HA       LEU   3   0.688  -4.046   1.116
   20    HB2  LEU   3           HB2      LEU   3   1.328  -2.264   3.404
   21    HB3  LEU   3           HB3      LEU   3  -0.202  -3.116   3.463
   22    HG   LEU   3           HG       LEU   3   1.178  -5.248   2.982
   23   HD11  LEU   3          HD1       LEU   3   3.540  -4.704   4.229
   24   HD12  LEU   3          HD1       LEU   3   3.319  -4.821   2.467
   25   HD13  LEU   3          HD1       LEU   3   3.304  -3.229   3.262
   26   HD21  LEU   3          HD2       LEU   3   1.009  -3.711   5.544
   27   HD22  LEU   3          HD2       LEU   3   0.219  -5.231   5.064
   28   HD23  LEU   3          HD2       LEU   3   1.944  -5.225   5.501
   29    H    LYS   4           H        LYS   4  -0.285  -2.954  -0.889
   30    HA   LYS   4           HA       LYS   4  -2.269  -0.947  -0.254
   31    HB2  LYS   4           HB2      LYS   4  -1.176  -0.503  -2.268
   32    HB3  LYS   4           HB3      LYS   4  -1.192  -2.180  -2.777
   33    HG2  LYS   4           HG2      LYS   4  -3.741  -2.031  -2.903
   34    HG3  LYS   4           HG3      LYS   4  -3.599  -0.310  -2.601
   35    HD2  LYS   4           HD2      LYS   4  -2.106  -0.116  -4.632
   36    HD3  LYS   4           HD3      LYS   4  -2.361  -1.820  -4.951
   37    HE2  LYS   4           HE2      LYS   4  -4.968  -0.981  -4.694
   38    HE3  LYS   4           HE3      LYS   4  -4.234   0.481  -5.321
   39    HZ1  LYS   4           HZ1      LYS   4  -3.185  -1.104  -7.003
   40    HZ2  LYS   4           HZ2      LYS   4  -4.353  -2.155  -6.558
   41    HZ3  LYS   4           HZ3      LYS   4  -4.757  -0.705  -7.191
   42    H    LYS   5           H        LYS   5  -4.433  -1.303   0.031
   43    HA   LYS   5           HA       LYS   5  -5.517  -3.871  -0.767
   44    HB2  LYS   5           HB2      LYS   5  -4.947  -3.116   2.034
   45    HB3  LYS   5           HB3      LYS   5  -6.571  -3.704   1.748
   46    HG2  LYS   5           HG2      LYS   5  -4.486  -5.295   0.361
   47    HG3  LYS   5           HG3      LYS   5  -4.316  -5.300   2.105
   48    HD2  LYS   5           HD2      LYS   5  -7.126  -5.631   1.354
   49    HD3  LYS   5           HD3      LYS   5  -6.136  -6.834   0.552
   50    HE2  LYS   5           HE2      LYS   5  -5.638  -7.923   2.513
   51    HE3  LYS   5           HE3      LYS   5  -5.418  -6.432   3.405
   52    HZ1  LYS   5           HZ1      LYS   5  -7.862  -7.918   2.921
   53    HZ2  LYS   5           HZ2      LYS   5  -7.329  -7.220   4.298
   54    HZ3  LYS   5           HZ3      LYS   5  -7.974  -6.299   3.113
   55    H    ARG   6           H        ARG   6  -6.405  -1.044   1.343
   56    HA   ARG   6           HA       ARG   6  -8.413  -0.410  -0.642
   57    HB2  ARG   6           HB2      ARG   6  -9.430  -1.807   1.250
   58    HB3  ARG   6           HB3      ARG   6  -9.014  -0.513   2.355
   59    HG2  ARG   6           HG2      ARG   6 -11.252  -0.012   1.783
   60    HG3  ARG   6           HG3      ARG   6 -10.337   1.053   0.736
   61    HD2  ARG   6           HD2      ARG   6 -10.781  -1.613  -0.471
   62    HD3  ARG   6           HD3      ARG   6 -12.280  -0.789  -0.095
   63    HE   ARG   6           HE       ARG   6 -10.339   0.952  -1.419
   64   HH11  ARG   6          HH2       ARG   6 -12.866  -1.441  -1.939
   65   HH12  ARG   6          HH2       ARG   6 -13.224  -0.902  -3.546
   66   HH21  ARG   6          HH1       ARG   6 -10.810   1.664  -3.539
   67   HH22  ARG   6          HH1       ARG   6 -12.046   0.876  -4.462
   68    H    ARG   7           H        ARG   7  -7.232   1.482  -1.236
   69    HA   ARG   7           HA       ARG   7  -6.984   3.661  -1.115
   70    HB2  ARG   7           HB2      ARG   7  -8.609   3.347   1.109
   71    HB3  ARG   7           HB3      ARG   7  -7.163   4.006   1.846
   72    HG2  ARG   7           HG2      ARG   7  -7.735   5.478  -0.596
   73    HG3  ARG   7           HG3      ARG   7  -9.185   5.416   0.387
   74    HD2  ARG   7           HD2      ARG   7  -6.461   6.223   1.510
   75    HD3  ARG   7           HD3      ARG   7  -7.604   7.383   0.863
   76    HE   ARG   7           HE       ARG   7  -8.720   5.576   2.907
   77   HH11  ARG   7          HH2       ARG   7  -7.186   8.677   2.261
   78   HH12  ARG   7          HH2       ARG   7  -7.741   9.402   3.733
   79   HH21  ARG   7          HH1       ARG   7  -9.452   6.533   4.848
   80   HH22  ARG   7          HH1       ARG   7  -9.039   8.175   5.214
   81    H    TRP   8           H        TRP   8  -5.438   1.280   0.871
   82    HA   TRP   8           HA       TRP   8  -3.271   2.962   1.729
   83    HB2  TRP   8           HB2      TRP   8  -4.052   0.101   2.039
   84    HB3  TRP   8           HB3      TRP   8  -2.360   0.517   2.226
   85    HD1  TRP   8           HD1      TRP   8  -2.263   3.002   3.987
   86    HE1  TRP   8           HE1      TRP   8  -3.251   3.210   6.425
   87    HE3  TRP   8           HE3      TRP   8  -5.587  -0.820   3.532
   88    HZ2  TRP   8           HZ2      TRP   8  -5.266   1.785   7.858
   89    HZ3  TRP   8           HZ3      TRP   8  -7.027  -1.347   5.497
   90    HH2  TRP   8           HH2      TRP   8  -6.906  -0.115   7.605
   91    H    LYS   9           H        LYS   9  -1.254   3.155   0.728
   92    HA   LYS   9           HA       LYS   9  -0.298   1.379  -1.198
   93    HB2  LYS   9           HB2      LYS   9  -2.280   2.458  -2.436
   94    HB3  LYS   9           HB3      LYS   9  -1.313   3.918  -2.480
   95    HG2  LYS   9           HG2      LYS   9   0.555   2.116  -3.344
   96    HG3  LYS   9           HG3      LYS   9  -0.899   1.320  -3.914
   97    HD2  LYS   9           HD2      LYS   9  -0.155   2.774  -5.695
   98    HD3  LYS   9           HD3      LYS   9  -1.594   3.506  -5.012
   99    HE2  LYS   9           HE2      LYS   9  -0.280   5.119  -3.748
  100    HE3  LYS   9           HE3      LYS   9   1.216   4.277  -4.105
  101    HZ1  LYS   9           HZ1      LYS   9   0.763   6.238  -5.505
  102    HZ2  LYS   9           HZ2      LYS   9   1.025   4.873  -6.363
  103    HZ3  LYS   9           HZ3      LYS   9  -0.495   5.446  -6.185
  104    H    LYS  10           H        LYS  10   1.237   1.880   0.658
  105    HA   LYS  10           HA       LYS  10   2.388   4.405   0.915
  106    HB2  LYS  10           HB2      LYS  10   2.509   2.142   2.333
  107    HB3  LYS  10           HB3      LYS  10   4.006   1.948   1.443
  108    HG2  LYS  10           HG2      LYS  10   4.582   3.145   3.447
  109    HG3  LYS  10           HG3      LYS  10   4.635   4.324   2.153
  110    HD2  LYS  10           HD2      LYS  10   2.653   5.389   2.843
  111    HD3  LYS  10           HD3      LYS  10   2.032   3.957   3.639
  112    HE2  LYS  10           HE2      LYS  10   3.583   4.206   5.496
  113    HE3  LYS  10           HE3      LYS  10   4.497   5.441   4.652
  114    HZ1  LYS  10           HZ1      LYS  10   1.790   5.654   5.745
  115    HZ2  LYS  10           HZ2      LYS  10   3.098   6.565   6.099
  116    HZ3  LYS  10           HZ3      LYS  10   2.355   6.730   4.653
  117    H    ALA  11           H        ALA  11   3.982   1.497  -0.572
  118    HA   ALA  11           HA       ALA  11   5.029   1.342  -2.561
  119    HB1  ALA  11           HB1      ALA  11   4.961   3.025  -4.175
  120    HB2  ALA  11           HB2      ALA  11   3.525   3.408  -3.196
  121    HB3  ALA  11           HB3      ALA  11   5.030   4.330  -2.968
  122    H    LYS  12           H        LYS  12   5.813   4.106  -0.385
  123    HA   LYS  12           HA       LYS  12   8.378   4.597  -0.903
  124    HB2  LYS  12           HB2      LYS  12   6.654   5.084   1.191
  125    HB3  LYS  12           HB3      LYS  12   7.919   4.155   1.970
  126    HG2  LYS  12           HG2      LYS  12   9.282   5.959   0.247
  127    HG3  LYS  12           HG3      LYS  12   7.999   6.906   0.974
  128    HD2  LYS  12           HD2      LYS  12   8.769   6.479   3.195
  129    HD3  LYS  12           HD3      LYS  12   9.734   5.104   2.697
  130    HE2  LYS  12           HE2      LYS  12  10.991   6.948   1.202
  131    HE3  LYS  12           HE3      LYS  12  10.327   8.051   2.392
  132    HZ1  LYS  12           HZ1      LYS  12  11.759   5.639   3.219
  133    HZ2  LYS  12           HZ2      LYS  12  12.562   7.015   2.862
  134    HZ3  LYS  12           HZ3      LYS  12  11.477   6.998   4.081
  135    HA   DPR  13           HA       DPR  13  11.206   1.471   0.276
  136    HB2  DPR  13           HB2      DPR  13  12.496   1.181  -2.113
  137    HB3  DPR  13           HB3      DPR  13  12.509   2.702  -1.203
  138    HG2  DPR  13           HG2      DPR  13  11.678   3.413  -3.400
  139    HG3  DPR  13           HG3      DPR  13  10.671   1.953  -3.551
  140    HD2  DPR  13           HD2      DPR  13   8.984   3.393  -2.712
  141    HD3  DPR  13           HD3      DPR  13  10.158   4.412  -1.822
  142    HA   PRO  14           HA       PRO  14  10.825  -2.753  -0.895
  143    HB2  PRO  14           HB2      PRO  14   9.840  -3.759   1.502
  144    HB3  PRO  14           HB3      PRO  14  11.489  -3.165   1.261
  145    HG2  PRO  14           HG2      PRO  14   9.121  -1.623   2.460
  146    HG3  PRO  14           HG3      PRO  14  10.759  -1.785   3.129
  147    HD2  PRO  14           HD2      PRO  14  10.012   0.448   1.661
  148    HD3  PRO  14           HD3      PRO  14  11.672  -0.203   1.531
  Start of MODEL   11
    1    H1   THR   1           H        THR   1   7.600  -3.242   2.221
    2    HA   THR   1           HA       THR   1   7.373  -3.320  -0.715
    3    HB   THR   1           HB       THR   1   8.817  -5.094   0.290
    4    HG1  THR   1           HG1      THR   1   7.461  -5.653  -1.526
    5   HG21  THR   1          HG2       THR   1   8.183  -6.378   2.089
    6   HG22  THR   1          HG2       THR   1   6.995  -5.092   2.412
    7   HG23  THR   1          HG2       THR   1   6.515  -6.534   1.485
    8    H    TRP   2           H        TRP   2   5.529  -1.705   0.041
    9    HA   TRP   2           HA       TRP   2   3.210  -3.084   1.047
   10    HB2  TRP   2           HB2      TRP   2   3.963  -0.288   0.389
   11    HB3  TRP   2           HB3      TRP   2   2.265  -0.700   0.255
   12    HD1  TRP   2           HD1      TRP   2   3.454  -2.817   2.984
   13    HE1  TRP   2           HE1      TRP   2   3.027  -1.825   5.393
   14    HE3  TRP   2           HE3      TRP   2   2.457   1.921   1.429
   15    HZ2  TRP   2           HZ2      TRP   2   2.335   0.772   6.354
   16    HZ3  TRP   2           HZ3      TRP   2   1.915   3.623   3.167
   17    HH2  TRP   2           HH2      TRP   2   1.845   3.113   5.556
   18    H    LEU   3           H        LEU   3   1.082  -2.739  -0.318
   19    HA   LEU   3           HA       LEU   3   1.662  -3.022  -3.167
   20    HB2  LEU   3           HB2      LEU   3   1.383  -5.240  -1.742
   21    HB3  LEU   3           HB3      LEU   3  -0.320  -4.873  -1.927
   22    HG   LEU   3           HG       LEU   3   0.063  -4.772  -4.426
   23   HD11  LEU   3          HD1       LEU   3   2.117  -6.109  -5.175
   24   HD12  LEU   3          HD1       LEU   3   2.362  -4.416  -4.681
   25   HD13  LEU   3          HD1       LEU   3   2.788  -5.738  -3.568
   26   HD21  LEU   3          HD2       LEU   3   0.170  -7.192  -2.708
   27   HD22  LEU   3          HD2       LEU   3  -1.025  -6.694  -3.930
   28   HD23  LEU   3          HD2       LEU   3   0.521  -7.415  -4.439
   29    H    LYS   4           H        LYS   4   0.636  -0.840  -1.387
   30    HA   LYS   4           HA       LYS   4  -1.149   0.484  -1.122
   31    HB2  LYS   4           HB2      LYS   4  -2.020   1.312  -3.307
   32    HB3  LYS   4           HB3      LYS   4  -0.273   1.277  -3.198
   33    HG2  LYS   4           HG2      LYS   4  -0.162  -0.796  -4.496
   34    HG3  LYS   4           HG3      LYS   4  -1.904  -0.981  -4.445
   35    HD2  LYS   4           HD2      LYS   4  -1.747   1.521  -5.543
   36    HD3  LYS   4           HD3      LYS   4  -0.234   0.855  -6.124
   37    HE2  LYS   4           HE2      LYS   4  -1.514  -1.154  -7.004
   38    HE3  LYS   4           HE3      LYS   4  -3.005  -0.370  -6.521
   39    HZ1  LYS   4           HZ1      LYS   4  -2.531   1.416  -7.995
   40    HZ2  LYS   4           HZ2      LYS   4  -1.054   0.825  -8.363
   41    HZ3  LYS   4           HZ3      LYS   4  -2.396   0.023  -8.837
   42    H    LYS   5           H        LYS   5  -2.105  -1.518   0.094
   43    HA   LYS   5           HA       LYS   5  -4.249  -2.826  -1.282
   44    HB2  LYS   5           HB2      LYS   5  -2.735  -3.739   0.611
   45    HB3  LYS   5           HB3      LYS   5  -3.779  -2.845   1.697
   46    HG2  LYS   5           HG2      LYS   5  -4.770  -5.007   1.586
   47    HG3  LYS   5           HG3      LYS   5  -5.768  -4.025   0.533
   48    HD2  LYS   5           HD2      LYS   5  -4.815  -4.948  -1.449
   49    HD3  LYS   5           HD3      LYS   5  -3.397  -5.540  -0.606
   50    HE2  LYS   5           HE2      LYS   5  -4.436  -7.553  -0.440
   51    HE3  LYS   5           HE3      LYS   5  -5.538  -6.821   0.708
   52    HZ1  LYS   5           HZ1      LYS   5  -6.120  -7.741  -1.818
   53    HZ2  LYS   5           HZ2      LYS   5  -7.135  -6.999  -0.774
   54    HZ3  LYS   5           HZ3      LYS   5  -6.313  -6.120  -1.877
   55    H    ARG   6           H        ARG   6  -5.656  -2.410   1.601
   56    HA   ARG   6           HA       ARG   6  -7.316  -0.325   0.540
   57    HB2  ARG   6           HB2      ARG   6  -8.354  -2.385   1.481
   58    HB3  ARG   6           HB3      ARG   6  -7.600  -2.079   3.032
   59    HG2  ARG   6           HG2      ARG   6  -8.857   0.304   2.732
   60    HG3  ARG   6           HG3      ARG   6  -9.918  -0.670   1.733
   61    HD2  ARG   6           HD2      ARG   6 -10.967  -1.208   3.694
   62    HD3  ARG   6           HD3      ARG   6  -9.626  -2.308   3.947
   63    HE   ARG   6           HE       ARG   6  -8.837   0.291   4.849
   64   HH11  ARG   6          HH2       ARG   6 -11.033  -2.315   5.725
   65   HH12  ARG   6          HH2       ARG   6 -11.013  -1.935   7.416
   66   HH21  ARG   6          HH1       ARG   6  -8.811   0.793   7.078
   67   HH22  ARG   6          HH1       ARG   6  -9.740  -0.155   8.189
   68    H    ARG   7           H        ARG   7  -6.924   1.798   1.083
   69    HA   ARG   7           HA       ARG   7  -6.695   3.529   2.419
   70    HB2  ARG   7           HB2      ARG   7  -7.099   1.612   4.374
   71    HB3  ARG   7           HB3      ARG   7  -5.482   2.150   4.778
   72    HG2  ARG   7           HG2      ARG   7  -7.960   3.912   4.498
   73    HG3  ARG   7           HG3      ARG   7  -7.130   3.515   5.989
   74    HD2  ARG   7           HD2      ARG   7  -5.075   4.684   5.156
   75    HD3  ARG   7           HD3      ARG   7  -5.905   5.080   3.665
   76    HE   ARG   7           HE       ARG   7  -7.182   6.714   4.803
   77   HH11  ARG   7          HH2       ARG   7  -5.342   4.776   7.093
   78   HH12  ARG   7          HH2       ARG   7  -5.649   5.834   8.430
   79   HH21  ARG   7          HH1       ARG   7  -7.587   8.109   6.566
   80   HH22  ARG   7          HH1       ARG   7  -6.935   7.743   8.128
   81    H    TRP   8           H        TRP   8  -4.358   1.037   1.817
   82    HA   TRP   8           HA       TRP   8  -2.104   2.735   2.534
   83    HB2  TRP   8           HB2      TRP   8  -2.471  -0.149   1.843
   84    HB3  TRP   8           HB3      TRP   8  -0.911   0.595   1.556
   85    HD1  TRP   8           HD1      TRP   8  -0.094   2.102   4.008
   86    HE1  TRP   8           HE1      TRP   8   0.040   1.180   6.477
   87    HE3  TRP   8           HE3      TRP   8  -3.302  -1.776   3.293
   88    HZ2  TRP   8           HZ2      TRP   8  -1.184  -1.017   7.823
   89    HZ3  TRP   8           HZ3      TRP   8  -3.780  -3.263   5.236
   90    HH2  TRP   8           HH2      TRP   8  -2.779  -2.933   7.442
   91    H    LYS   9           H        LYS   9  -1.136   4.040   1.031
   92    HA   LYS   9           HA       LYS   9  -2.159   3.996  -1.649
   93    HB2  LYS   9           HB2      LYS   9  -1.318   6.106  -1.828
   94    HB3  LYS   9           HB3      LYS   9  -1.462   6.014  -0.084
   95    HG2  LYS   9           HG2      LYS   9   1.045   4.920  -0.444
   96    HG3  LYS   9           HG3      LYS   9   0.990   6.045  -1.786
   97    HD2  LYS   9           HD2      LYS   9   0.030   7.086   0.861
   98    HD3  LYS   9           HD3      LYS   9   1.748   6.766   0.731
   99    HE2  LYS   9           HE2      LYS   9   1.801   8.171  -1.380
  100    HE3  LYS   9           HE3      LYS   9   0.111   8.559  -1.127
  101    HZ1  LYS   9           HZ1      LYS   9   2.064   9.030   0.993
  102    HZ2  LYS   9           HZ2      LYS   9   1.862  10.121  -0.206
  103    HZ3  LYS   9           HZ3      LYS   9   0.609   9.738   0.770
  104    H    LYS  10           H        LYS  10   0.143   4.734  -3.134
  105    HA   LYS  10           HA       LYS  10   1.023   2.447  -4.159
  106    HB2  LYS  10           HB2      LYS  10   1.536   4.643  -5.082
  107    HB3  LYS  10           HB3      LYS  10   2.637   4.983  -3.762
  108    HG2  LYS  10           HG2      LYS  10   4.282   3.542  -4.562
  109    HG3  LYS  10           HG3      LYS  10   3.126   2.442  -5.287
  110    HD2  LYS  10           HD2      LYS  10   3.271   3.485  -7.301
  111    HD3  LYS  10           HD3      LYS  10   2.964   5.054  -6.584
  112    HE2  LYS  10           HE2      LYS  10   5.173   5.618  -6.619
  113    HE3  LYS  10           HE3      LYS  10   5.657   4.090  -5.911
  114    HZ1  LYS  10           HZ1      LYS  10   4.755   3.899  -8.619
  115    HZ2  LYS  10           HZ2      LYS  10   6.113   4.787  -8.431
  116    HZ3  LYS  10           HZ3      LYS  10   6.070   3.239  -7.909
  117    H    ALA  11           H        ALA  11   2.694   0.918  -3.855
  118    HA   ALA  11           HA       ALA  11   3.129  -0.019  -1.374
  119    HB1  ALA  11           HB1      ALA  11   5.119  -1.161  -2.354
  120    HB2  ALA  11           HB2      ALA  11   3.698  -1.224  -3.424
  121    HB3  ALA  11           HB3      ALA  11   5.018  -0.078  -3.762
  122    H    LYS  12           H        LYS  12   5.951   1.478  -3.057
  123    HA   LYS  12           HA       LYS  12   7.585   2.766  -2.318
  124    HB2  LYS  12           HB2      LYS  12   5.167   3.925  -1.079
  125    HB3  LYS  12           HB3      LYS  12   6.669   4.369  -0.293
  126    HG2  LYS  12           HG2      LYS  12   7.268   5.734  -2.010
  127    HG3  LYS  12           HG3      LYS  12   6.987   4.475  -3.197
  128    HD2  LYS  12           HD2      LYS  12   5.248   5.785  -3.890
  129    HD3  LYS  12           HD3      LYS  12   4.391   5.121  -2.513
  130    HE2  LYS  12           HE2      LYS  12   4.167   7.512  -2.345
  131    HE3  LYS  12           HE3      LYS  12   5.322   7.050  -1.111
  132    HZ1  LYS  12           HZ1      LYS  12   6.090   8.920  -2.389
  133    HZ2  LYS  12           HZ2      LYS  12   7.090   7.650  -2.618
  134    HZ3  LYS  12           HZ3      LYS  12   6.020   8.066  -3.779
  135    HA   DPR  13           HA       DPR  13   8.973   2.163   2.021
  136    HB2  DPR  13           HB2      DPR  13  11.653   2.216   1.500
  137    HB3  DPR  13           HB3      DPR  13  10.639   3.667   1.415
  138    HG2  DPR  13           HG2      DPR  13  11.691   3.631  -0.802
  139    HG3  DPR  13           HG3      DPR  13  11.511   1.863  -0.918
  140    HD2  DPR  13           HD2      DPR  13   9.550   2.442  -2.120
  141    HD3  DPR  13           HD3      DPR  13   9.351   3.992  -1.244
  142    HA   PRO  14           HA       PRO  14  10.445  -1.884   2.843
  143    HB2  PRO  14           HB2      PRO  14   8.196  -2.902   4.122
  144    HB3  PRO  14           HB3      PRO  14   9.254  -1.652   4.789
  145    HG2  PRO  14           HG2      PRO  14   6.598  -1.234   3.308
  146    HG3  PRO  14           HG3      PRO  14   7.096  -0.530   4.863
  147    HD2  PRO  14           HD2      PRO  14   7.341   0.888   2.490
  148    HD3  PRO  14           HD3      PRO  14   8.567   1.065   3.778
  Start of MODEL   12
    1    H1   THR   1           H        THR   1   8.008  -0.969   0.652
    2    HA   THR   1           HA       THR   1   8.124   0.571   3.157
    3    HB   THR   1           HB       THR   1   7.002   1.725   0.585
    4    HG1  THR   1           HG1      THR   1   9.311   2.529   0.375
    5   HG21  THR   1          HG2       THR   1   6.829   3.508   2.016
    6   HG22  THR   1          HG2       THR   1   7.776   2.671   3.269
    7   HG23  THR   1          HG2       THR   1   8.607   3.577   1.982
    8    H    TRP   2           H        TRP   2   5.516   1.822   1.930
    9    HA   TRP   2           HA       TRP   2   3.761   0.276   3.436
   10    HB2  TRP   2           HB2      TRP   2   3.133   2.171   1.165
   11    HB3  TRP   2           HB3      TRP   2   2.003   1.598   2.377
   12    HD1  TRP   2           HD1      TRP   2   5.321   2.387   3.943
   13    HE1  TRP   2           HE1      TRP   2   5.314   4.679   5.251
   14    HE3  TRP   2           HE3      TRP   2   0.883   4.033   2.088
   15    HZ2  TRP   2           HZ2      TRP   2   3.493   6.874   5.360
   16    HZ3  TRP   2           HZ3      TRP   2   0.061   6.261   2.847
   17    HH2  TRP   2           HH2      TRP   2   1.289   7.666   4.426
   18    H    LEU   3           H        LEU   3   1.595  -0.567   2.176
   19    HA   LEU   3           HA       LEU   3   2.342  -2.009  -0.228
   20    HB2  LEU   3           HB2      LEU   3   1.295  -4.098   0.948
   21    HB3  LEU   3           HB3      LEU   3   3.003  -3.730   1.075
   22    HG   LEU   3           HG       LEU   3   1.991  -4.453   3.210
   23   HD11  LEU   3          HD1       LEU   3   3.900  -2.610   2.845
   24   HD12  LEU   3          HD1       LEU   3   2.727  -1.626   3.752
   25   HD13  LEU   3          HD1       LEU   3   3.351  -3.137   4.454
   26   HD21  LEU   3          HD2       LEU   3   0.422  -1.864   3.067
   27   HD22  LEU   3          HD2       LEU   3  -0.249  -3.502   2.881
   28   HD23  LEU   3          HD2       LEU   3   0.465  -3.005   4.434
   29    H    LYS   4           H        LYS   4   0.823  -0.841  -1.405
   30    HA   LYS   4           HA       LYS   4  -1.660  -0.072  -0.551
   31    HB2  LYS   4           HB2      LYS   4  -2.230   0.074  -2.943
   32    HB3  LYS   4           HB3      LYS   4  -0.659   0.761  -2.585
   33    HG2  LYS   4           HG2      LYS   4  -0.166  -1.988  -3.137
   34    HG3  LYS   4           HG3      LYS   4  -1.331  -1.477  -4.342
   35    HD2  LYS   4           HD2      LYS   4   0.107   0.172  -5.238
   36    HD3  LYS   4           HD3      LYS   4   1.049   0.302  -3.767
   37    HE2  LYS   4           HE2      LYS   4   1.852  -2.103  -4.192
   38    HE3  LYS   4           HE3      LYS   4   1.082  -2.006  -5.763
   39    HZ1  LYS   4           HZ1      LYS   4   3.014   0.010  -4.883
   40    HZ2  LYS   4           HZ2      LYS   4   3.484  -1.364  -5.630
   41    HZ3  LYS   4           HZ3      LYS   4   2.510  -0.307  -6.404
   42    H    LYS   5           H        LYS   5  -3.431  -1.146   0.128
   43    HA   LYS   5           HA       LYS   5  -3.828  -3.846  -0.949
   44    HB2  LYS   5           HB2      LYS   5  -2.895  -3.645   1.481
   45    HB3  LYS   5           HB3      LYS   5  -4.525  -3.154   1.898
   46    HG2  LYS   5           HG2      LYS   5  -4.581  -5.503   2.186
   47    HG3  LYS   5           HG3      LYS   5  -5.312  -5.277   0.610
   48    HD2  LYS   5           HD2      LYS   5  -3.750  -6.671  -0.257
   49    HD3  LYS   5           HD3      LYS   5  -2.535  -5.455   0.085
   50    HE2  LYS   5           HE2      LYS   5  -1.834  -7.524   1.156
   51    HE3  LYS   5           HE3      LYS   5  -2.299  -6.401   2.419
   52    HZ1  LYS   5           HZ1      LYS   5  -4.084  -8.456   1.315
   53    HZ2  LYS   5           HZ2      LYS   5  -3.235  -8.618   2.699
   54    HZ3  LYS   5           HZ3      LYS   5  -4.400  -7.480   2.585
   55    H    ARG   6           H        ARG   6  -5.614  -1.592   1.267
   56    HA   ARG   6           HA       ARG   6  -7.526  -1.123  -0.791
   57    HB2  ARG   6           HB2      ARG   6  -8.181  -3.364   0.310
   58    HB3  ARG   6           HB3      ARG   6  -8.480  -2.464   1.784
   59    HG2  ARG   6           HG2      ARG   6 -10.321  -1.300   0.870
   60    HG3  ARG   6           HG3      ARG   6  -9.773  -1.515  -0.781
   61    HD2  ARG   6           HD2      ARG   6 -10.238  -4.116   0.485
   62    HD3  ARG   6           HD3      ARG   6 -11.667  -3.110   0.612
   63    HE   ARG   6           HE       ARG   6 -10.529  -4.221  -1.842
   64   HH11  ARG   6          HH2       ARG   6 -12.534  -1.648  -0.522
   65   HH12  ARG   6          HH2       ARG   6 -13.381  -1.372  -2.008
   66   HH21  ARG   6          HH1       ARG   6 -11.646  -3.857  -3.802
   67   HH22  ARG   6          HH1       ARG   6 -12.872  -2.636  -3.886
   68    H    ARG   7           H        ARG   7  -5.927   0.771   0.285
   69    HA   ARG   7           HA       ARG   7  -7.423   2.741   1.089
   70    HB2  ARG   7           HB2      ARG   7  -7.151   0.854   3.360
   71    HB3  ARG   7           HB3      ARG   7  -6.675   2.488   3.780
   72    HG2  ARG   7           HG2      ARG   7  -9.087   2.671   2.216
   73    HG3  ARG   7           HG3      ARG   7  -9.342   1.427   3.423
   74    HD2  ARG   7           HD2      ARG   7  -9.985   3.689   4.271
   75    HD3  ARG   7           HD3      ARG   7  -8.706   2.975   5.233
   76    HE   ARG   7           HE       ARG   7  -7.515   4.520   3.131
   77   HH11  ARG   7          HH2       ARG   7  -9.328   4.952   6.117
   78   HH12  ARG   7          HH2       ARG   7  -8.659   6.516   6.447
   79   HH21  ARG   7          HH1       ARG   7  -6.633   6.583   3.566
   80   HH22  ARG   7          HH1       ARG   7  -7.116   7.449   4.986
   81    H    TRP   8           H        TRP   8  -4.456   0.907   1.423
   82    HA   TRP   8           HA       TRP   8  -2.903   3.164   2.333
   83    HB2  TRP   8           HB2      TRP   8  -2.199   0.339   1.540
   84    HB3  TRP   8           HB3      TRP   8  -0.999   1.543   1.968
   85    HD1  TRP   8           HD1      TRP   8  -1.281   2.554   4.617
   86    HE1  TRP   8           HE1      TRP   8  -1.969   1.352   6.863
   87    HE3  TRP   8           HE3      TRP   8  -3.558  -1.421   2.408
   88    HZ2  TRP   8           HZ2      TRP   8  -3.356  -1.072   7.452
   89    HZ3  TRP   8           HZ3      TRP   8  -4.552  -3.160   3.891
   90    HH2  TRP   8           HH2      TRP   8  -4.478  -3.032   6.331
   91    H    LYS   9           H        LYS   9  -0.757   3.505   0.901
   92    HA   LYS   9           HA       LYS   9  -1.175   3.205  -1.910
   93    HB2  LYS   9           HB2      LYS   9  -2.493   5.346  -0.891
   94    HB3  LYS   9           HB3      LYS   9  -0.928   6.074  -1.190
   95    HG2  LYS   9           HG2      LYS   9  -1.638   6.321  -3.342
   96    HG3  LYS   9           HG3      LYS   9  -1.297   4.610  -3.515
   97    HD2  LYS   9           HD2      LYS   9  -3.564   3.987  -3.240
   98    HD3  LYS   9           HD3      LYS   9  -3.978   5.469  -2.402
   99    HE2  LYS   9           HE2      LYS   9  -4.620   6.419  -4.359
  100    HE3  LYS   9           HE3      LYS   9  -3.004   6.215  -5.005
  101    HZ1  LYS   9           HZ1      LYS   9  -4.290   4.974  -6.405
  102    HZ2  LYS   9           HZ2      LYS   9  -3.772   3.817  -5.373
  103    HZ3  LYS   9           HZ3      LYS   9  -5.285   4.418  -5.234
  104    H    LYS  10           H        LYS  10   0.703   4.610  -3.054
  105    HA   LYS  10           HA       LYS  10   2.921   4.358  -3.363
  106    HB2  LYS  10           HB2      LYS  10   2.757   6.635  -2.715
  107    HB3  LYS  10           HB3      LYS  10   2.615   6.234  -1.014
  108    HG2  LYS  10           HG2      LYS  10   4.889   6.985  -1.388
  109    HG3  LYS  10           HG3      LYS  10   4.954   5.258  -1.098
  110    HD2  LYS  10           HD2      LYS  10   6.331   5.490  -2.993
  111    HD3  LYS  10           HD3      LYS  10   4.801   5.023  -3.709
  112    HE2  LYS  10           HE2      LYS  10   5.111   7.959  -3.316
  113    HE3  LYS  10           HE3      LYS  10   6.267   7.261  -4.433
  114    HZ1  LYS  10           HZ1      LYS  10   4.199   7.927  -5.492
  115    HZ2  LYS  10           HZ2      LYS  10   4.471   6.328  -5.674
  116    HZ3  LYS  10           HZ3      LYS  10   3.363   6.851  -4.594
  117    H    ALA  11           H        ALA  11   3.122   2.062  -3.005
  118    HA   ALA  11           HA       ALA  11   4.184   1.401  -0.347
  119    HB1  ALA  11           HB1      ALA  11   3.692  -1.002  -1.421
  120    HB2  ALA  11           HB2      ALA  11   2.420  -0.058  -0.611
  121    HB3  ALA  11           HB3      ALA  11   2.538  -0.052  -2.387
  122    H    LYS  12           H        LYS  12   4.565   0.631  -3.882
  123    HA   LYS  12           HA       LYS  12   6.342  -0.204  -4.960
  124    HB2  LYS  12           HB2      LYS  12   6.571   2.427  -4.543
  125    HB3  LYS  12           HB3      LYS  12   8.031   1.923  -3.717
  126    HG2  LYS  12           HG2      LYS  12   8.841   2.160  -5.894
  127    HG3  LYS  12           HG3      LYS  12   8.433   0.456  -5.894
  128    HD2  LYS  12           HD2      LYS  12   6.762   0.734  -7.426
  129    HD3  LYS  12           HD3      LYS  12   6.122   2.144  -6.606
  130    HE2  LYS  12           HE2      LYS  12   6.879   3.041  -8.658
  131    HE3  LYS  12           HE3      LYS  12   8.199   3.413  -7.569
  132    HZ1  LYS  12           HZ1      LYS  12   8.953   1.046  -8.388
  133    HZ2  LYS  12           HZ2      LYS  12   8.097   1.485  -9.708
  134    HZ3  LYS  12           HZ3      LYS  12   9.342   2.410  -9.197
  135    HA   DPR  13           HA       DPR  13   8.951  -2.910  -2.852
  136    HB2  DPR  13           HB2      DPR  13   7.383  -5.111  -2.462
  137    HB3  DPR  13           HB3      DPR  13   7.692  -4.436  -4.072
  138    HG2  DPR  13           HG2      DPR  13   5.239  -4.476  -3.981
  139    HG3  DPR  13           HG3      DPR  13   5.239  -3.943  -2.283
  140    HD2  DPR  13           HD2      DPR  13   4.931  -1.807  -3.267
  141    HD3  DPR  13           HD3      DPR  13   5.781  -2.268  -4.773
  142    HA   PRO  14           HA       PRO  14   9.135  -3.850   1.436
  143    HB2  PRO  14           HB2      PRO  14  11.308  -2.252   2.112
  144    HB3  PRO  14           HB3      PRO  14  11.401  -3.708   1.112
  145    HG2  PRO  14           HG2      PRO  14  11.247  -0.800   0.141
  146    HG3  PRO  14           HG3      PRO  14  12.399  -2.055  -0.369
  147    HD2  PRO  14           HD2      PRO  14  10.128  -1.486  -1.859
  148    HD3  PRO  14           HD3      PRO  14  10.730  -3.164  -1.739
  Start of MODEL   13
    1    H1   THR   1           H        THR   1   9.268  -4.445   0.688
    2    HA   THR   1           HA       THR   1   6.850  -4.497  -0.339
    3    HB   THR   1           HB       THR   1   7.495  -4.803   2.641
    4    HG1  THR   1           HG1      THR   1   8.743  -6.370   1.690
    5   HG21  THR   1          HG2       THR   1   5.699  -6.446   2.671
    6   HG22  THR   1          HG2       THR   1   5.013  -4.956   1.983
    7   HG23  THR   1          HG2       THR   1   5.466  -6.304   0.913
    8    H    TRP   2           H        TRP   2   5.043  -3.321  -0.576
    9    HA   TRP   2           HA       TRP   2   4.977  -0.778   0.851
   10    HB2  TRP   2           HB2      TRP   2   2.942  -0.615  -0.894
   11    HB3  TRP   2           HB3      TRP   2   4.592  -0.144  -1.253
   12    HD1  TRP   2           HD1      TRP   2   6.093  -2.448  -2.343
   13    HE1  TRP   2           HE1      TRP   2   5.388  -4.070  -4.301
   14    HE3  TRP   2           HE3      TRP   2   1.104  -1.521  -2.020
   15    HZ2  TRP   2           HZ2      TRP   2   2.880  -4.768  -5.469
   16    HZ3  TRP   2           HZ3      TRP   2  -0.403  -2.714  -3.607
   17    HH2  TRP   2           HH2      TRP   2   0.411  -4.291  -5.288
   18    H    LEU   3           H        LEU   3   2.707  -3.449  -0.151
   19    HA   LEU   3           HA       LEU   3   1.136  -4.508   1.011
   20    HB2  LEU   3           HB2      LEU   3   1.402  -4.807   3.191
   21    HB3  LEU   3           HB3      LEU   3   2.851  -3.841   2.995
   22    HG   LEU   3           HG       LEU   3   1.124  -1.845   3.449
   23   HD11  LEU   3          HD1       LEU   3  -0.855  -2.402   4.281
   24   HD12  LEU   3          HD1       LEU   3  -0.490  -4.103   3.901
   25   HD13  LEU   3          HD1       LEU   3  -0.102  -3.447   5.510
   26   HD21  LEU   3          HD2       LEU   3   1.696  -2.676   6.042
   27   HD22  LEU   3          HD2       LEU   3   2.982  -3.405   5.051
   28   HD23  LEU   3          HD2       LEU   3   2.706  -1.647   4.999
   29    H    LYS   4           H        LYS   4   1.273  -1.386   0.035
   30    HA   LYS   4           HA       LYS   4  -1.109  -0.363   1.211
   31    HB2  LYS   4           HB2      LYS   4   0.299   0.575  -1.302
   32    HB3  LYS   4           HB3      LYS   4  -0.806   1.490  -0.296
   33    HG2  LYS   4           HG2      LYS   4   1.791   0.327   0.800
   34    HG3  LYS   4           HG3      LYS   4   1.724   1.913   0.057
   35    HD2  LYS   4           HD2      LYS   4   0.682   2.857   1.865
   36    HD3  LYS   4           HD3      LYS   4  -0.409   1.502   2.067
   37    HE2  LYS   4           HE2      LYS   4   0.903   1.357   4.015
   38    HE3  LYS   4           HE3      LYS   4   1.709   0.214   2.958
   39    HZ1  LYS   4           HZ1      LYS   4   2.868   2.577   2.365
   40    HZ2  LYS   4           HZ2      LYS   4   2.664   2.675   3.982
   41    HZ3  LYS   4           HZ3      LYS   4   3.499   1.428   3.338
   42    H    LYS   5           H        LYS   5  -2.575  -2.183   0.908
   43    HA   LYS   5           HA       LYS   5  -3.570  -2.275  -1.854
   44    HB2  LYS   5           HB2      LYS   5  -2.371  -4.364  -1.100
   45    HB3  LYS   5           HB3      LYS   5  -3.613  -4.575   0.118
   46    HG2  LYS   5           HG2      LYS   5  -5.072  -5.421  -1.404
   47    HG3  LYS   5           HG3      LYS   5  -4.858  -4.042  -2.465
   48    HD2  LYS   5           HD2      LYS   5  -3.855  -5.513  -3.891
   49    HD3  LYS   5           HD3      LYS   5  -2.462  -5.382  -2.836
   50    HE2  LYS   5           HE2      LYS   5  -2.897  -7.737  -3.064
   51    HE3  LYS   5           HE3      LYS   5  -3.438  -7.305  -1.454
   52    HZ1  LYS   5           HZ1      LYS   5  -5.679  -7.028  -2.455
   53    HZ2  LYS   5           HZ2      LYS   5  -5.109  -7.699  -3.831
   54    HZ3  LYS   5           HZ3      LYS   5  -5.124  -8.564  -2.447
   55    H    ARG   6           H        ARG   6  -4.672  -0.261  -0.781
   56    HA   ARG   6           HA       ARG   6  -7.300  -0.861  -0.483
   57    HB2  ARG   6           HB2      ARG   6  -6.094  -1.625   1.867
   58    HB3  ARG   6           HB3      ARG   6  -6.468   0.043   2.252
   59    HG2  ARG   6           HG2      ARG   6  -8.862  -0.380   1.523
   60    HG3  ARG   6           HG3      ARG   6  -8.455  -2.070   1.292
   61    HD2  ARG   6           HD2      ARG   6  -7.673  -0.955   3.949
   62    HD3  ARG   6           HD3      ARG   6  -9.399  -1.009   3.658
   63    HE   ARG   6           HE       ARG   6  -7.594  -3.315   3.938
   64   HH11  ARG   6          HH2       ARG   6 -10.743  -2.195   2.836
   65   HH12  ARG   6          HH2       ARG   6 -11.471  -3.765   2.912
   66   HH21  ARG   6          HH1       ARG   6  -8.553  -5.387   4.039
   67   HH22  ARG   6          HH1       ARG   6 -10.216  -5.593   3.601
   68    H    ARG   7           H        ARG   7  -7.825   1.281   1.627
   69    HA   ARG   7           HA       ARG   7  -8.031   3.426   0.045
   70    HB2  ARG   7           HB2      ARG   7  -8.537   2.856   2.723
   71    HB3  ARG   7           HB3      ARG   7  -7.339   4.128   2.855
   72    HG2  ARG   7           HG2      ARG   7  -8.892   5.277   0.966
   73    HG3  ARG   7           HG3      ARG   7 -10.111   4.241   1.681
   74    HD2  ARG   7           HD2      ARG   7  -9.408   5.187   3.973
   75    HD3  ARG   7           HD3      ARG   7  -8.439   6.361   3.105
   76    HE   ARG   7           HE       ARG   7 -10.925   6.584   1.900
   77   HH11  ARG   7          HH2       ARG   7  -9.802   6.749   5.231
   78   HH12  ARG   7          HH2       ARG   7 -11.054   7.836   5.734
   79   HH21  ARG   7          HH1       ARG   7 -12.577   8.017   2.563
   80   HH22  ARG   7          HH1       ARG   7 -12.642   8.562   4.206
   81    H    TRP   8           H        TRP   8  -5.130   2.135   1.522
   82    HA   TRP   8           HA       TRP   8  -3.639   4.571   1.475
   83    HB2  TRP   8           HB2      TRP   8  -2.834   1.676   1.789
   84    HB3  TRP   8           HB3      TRP   8  -1.709   3.017   1.861
   85    HD1  TRP   8           HD1      TRP   8  -2.030   4.738   4.027
   86    HE1  TRP   8           HE1      TRP   8  -2.959   4.390   6.472
   87    HE3  TRP   8           HE3      TRP   8  -4.518   0.418   3.030
   88    HZ2  TRP   8           HZ2      TRP   8  -4.594   2.391   7.688
   89    HZ3  TRP   8           HZ3      TRP   8  -5.756  -0.668   4.901
   90    HH2  TRP   8           HH2      TRP   8  -5.820   0.250   7.165
   91    H    LYS   9           H        LYS   9  -2.821   1.479  -0.218
   92    HA   LYS   9           HA       LYS   9  -1.744   1.221  -2.165
   93    HB2  LYS   9           HB2      LYS   9  -3.882   0.814  -2.972
   94    HB3  LYS   9           HB3      LYS   9  -4.399   2.477  -2.782
   95    HG2  LYS   9           HG2      LYS   9  -2.109   2.231  -4.626
   96    HG3  LYS   9           HG3      LYS   9  -3.486   1.285  -5.156
   97    HD2  LYS   9           HD2      LYS   9  -4.821   3.150  -5.510
   98    HD3  LYS   9           HD3      LYS   9  -4.102   4.055  -4.193
   99    HE2  LYS   9           HE2      LYS   9  -2.243   4.742  -5.496
  100    HE3  LYS   9           HE3      LYS   9  -2.430   3.430  -6.642
  101    HZ1  LYS   9           HZ1      LYS   9  -4.677   4.586  -7.085
  102    HZ2  LYS   9           HZ2      LYS   9  -3.946   5.901  -6.448
  103    HZ3  LYS   9           HZ3      LYS   9  -3.315   5.174  -7.768
  104    H    LYS  10           H        LYS  10   0.177   2.436  -1.793
  105    HA   LYS  10           HA       LYS  10   0.347   4.742  -3.528
  106    HB2  LYS  10           HB2      LYS  10  -0.302   5.429  -1.077
  107    HB3  LYS  10           HB3      LYS  10   1.385   5.101  -0.731
  108    HG2  LYS  10           HG2      LYS  10   2.131   6.923  -1.926
  109    HG3  LYS  10           HG3      LYS  10   0.941   6.712  -3.195
  110    HD2  LYS  10           HD2      LYS  10   0.162   8.679  -2.206
  111    HD3  LYS  10           HD3      LYS  10  -0.789   7.489  -1.340
  112    HE2  LYS  10           HE2      LYS  10   1.543   7.600   0.187
  113    HE3  LYS  10           HE3      LYS  10   1.371   9.261  -0.344
  114    HZ1  LYS  10           HZ1      LYS  10  -0.654   7.664   1.058
  115    HZ2  LYS  10           HZ2      LYS  10   0.152   8.958   1.641
  116    HZ3  LYS  10           HZ3      LYS  10  -0.941   9.149   0.442
  117    H    ALA  11           H        ALA  11   2.423   3.491  -0.839
  118    HA   ALA  11           HA       ALA  11   3.978   1.712  -2.037
  119    HB1  ALA  11           HB1      ALA  11   4.545   4.441  -3.159
  120    HB2  ALA  11           HB2      ALA  11   5.913   3.340  -2.870
  121    HB3  ALA  11           HB3      ALA  11   4.591   2.850  -3.956
  122    H    LYS  12           H        LYS  12   6.163   1.490  -0.986
  123    HA   LYS  12           HA       LYS  12   7.189   3.228   0.853
  124    HB2  LYS  12           HB2      LYS  12   4.704   2.281   1.797
  125    HB3  LYS  12           HB3      LYS  12   5.918   1.407   2.709
  126    HG2  LYS  12           HG2      LYS  12   7.074   3.773   2.964
  127    HG3  LYS  12           HG3      LYS  12   5.504   4.407   2.513
  128    HD2  LYS  12           HD2      LYS  12   5.318   4.316   4.852
  129    HD3  LYS  12           HD3      LYS  12   4.571   2.803   4.383
  130    HE2  LYS  12           HE2      LYS  12   6.091   2.248   6.158
  131    HE3  LYS  12           HE3      LYS  12   6.862   1.687   4.687
  132    HZ1  LYS  12           HZ1      LYS  12   7.408   4.323   5.854
  133    HZ2  LYS  12           HZ2      LYS  12   8.291   2.994   6.201
  134    HZ3  LYS  12           HZ3      LYS  12   8.247   3.569   4.674
  135    HA   DPR  13           HA       DPR  13  10.320   0.281   0.994
  136    HB2  DPR  13           HB2      DPR  13  11.610   0.541  -1.397
  137    HB3  DPR  13           HB3      DPR  13  11.407   1.896  -0.273
  138    HG2  DPR  13           HG2      DPR  13  10.452   2.791  -2.351
  139    HG3  DPR  13           HG3      DPR  13   9.674   1.233  -2.725
  140    HD2  DPR  13           HD2      DPR  13   7.801   2.266  -1.700
  141    HD3  DPR  13           HD3      DPR  13   8.819   3.308  -0.659
  142    HA   PRO  14           HA       PRO  14  10.336  -3.262  -2.096
  143    HB2  PRO  14           HB2      PRO  14  12.062  -4.928  -0.689
  144    HB3  PRO  14           HB3      PRO  14  12.575  -3.576  -1.708
  145    HG2  PRO  14           HG2      PRO  14  12.218  -3.565   1.341
  146    HG3  PRO  14           HG3      PRO  14  13.618  -2.990   0.410
  147    HD2  PRO  14           HD2      PRO  14  11.662  -1.238   1.307
  148    HD3  PRO  14           HD3      PRO  14  12.459  -0.969  -0.270
  Start of MODEL   14
    1    H1   THR   1           H        THR   1   9.048  -4.043   0.146
    2    HA   THR   1           HA       THR   1   6.682  -3.585  -1.178
    3    HB   THR   1           HB       THR   1   7.652  -5.818  -0.807
    4    HG1  THR   1           HG1      THR   1   5.573  -6.705   0.238
    5   HG21  THR   1          HG2       THR   1   7.141  -6.821   1.564
    6   HG22  THR   1          HG2       THR   1   8.598  -5.813   1.394
    7   HG23  THR   1          HG2       THR   1   7.121  -5.128   2.115
    8    H    TRP   2           H        TRP   2   4.457  -3.469  -0.504
    9    HA   TRP   2           HA       TRP   2   4.131  -2.374   2.197
   10    HB2  TRP   2           HB2      TRP   2   4.012  -0.876  -0.193
   11    HB3  TRP   2           HB3      TRP   2   2.356  -1.088   0.336
   12    HD1  TRP   2           HD1      TRP   2   5.566  -0.348   2.461
   13    HE1  TRP   2           HE1      TRP   2   5.172   1.745   4.019
   14    HE3  TRP   2           HE3      TRP   2   0.861   0.653   0.812
   15    HZ2  TRP   2           HZ2      TRP   2   2.985   3.542   4.380
   16    HZ3  TRP   2           HZ3      TRP   2  -0.334   2.594   1.819
   17    HH2  TRP   2           HH2      TRP   2   0.653   4.017   3.545
   18    H    LEU   3           H        LEU   3   1.275  -1.890   1.735
   19    HA   LEU   3           HA       LEU   3   0.229  -4.437   0.849
   20    HB2  LEU   3           HB2      LEU   3   0.840  -3.997   3.576
   21    HB3  LEU   3           HB3      LEU   3  -0.904  -3.896   3.430
   22    HG   LEU   3           HG       LEU   3   0.607  -6.206   2.223
   23   HD11  LEU   3          HD1       LEU   3  -0.502  -6.976   4.733
   24   HD12  LEU   3          HD1       LEU   3   1.193  -7.028   4.195
   25   HD13  LEU   3          HD1       LEU   3   0.559  -5.571   4.998
   26   HD21  LEU   3          HD2       LEU   3  -2.238  -5.595   2.929
   27   HD22  LEU   3          HD2       LEU   3  -1.553  -6.324   1.457
   28   HD23  LEU   3          HD2       LEU   3  -1.677  -7.284   2.951
   29    H    LYS   4           H        LYS   4  -0.492  -2.813  -0.789
   30    HA   LYS   4           HA       LYS   4  -2.116  -0.662  -0.122
   31    HB2  LYS   4           HB2      LYS   4  -1.894  -2.357  -2.619
   32    HB3  LYS   4           HB3      LYS   4  -2.929  -0.948  -2.521
   33    HG2  LYS   4           HG2      LYS   4  -1.150   0.391  -2.931
   34    HG3  LYS   4           HG3      LYS   4  -0.391  -0.161  -1.452
   35    HD2  LYS   4           HD2      LYS   4   0.675  -2.035  -2.613
   36    HD3  LYS   4           HD3      LYS   4  -0.230  -1.707  -4.078
   37    HE2  LYS   4           HE2      LYS   4   0.907   0.702  -3.888
   38    HE3  LYS   4           HE3      LYS   4   2.068  -0.142  -2.882
   39    HZ1  LYS   4           HZ1      LYS   4   2.940  -0.457  -4.931
   40    HZ2  LYS   4           HZ2      LYS   4   2.021  -1.803  -4.853
   41    HZ3  LYS   4           HZ3      LYS   4   1.502  -0.509  -5.701
   42    H    LYS   5           H        LYS   5  -3.703  -3.148  -2.081
   43    HA   LYS   5           HA       LYS   5  -5.822  -3.844  -1.943
   44    HB2  LYS   5           HB2      LYS   5  -4.407  -4.900   0.483
   45    HB3  LYS   5           HB3      LYS   5  -6.111  -5.255   0.270
   46    HG2  LYS   5           HG2      LYS   5  -4.956  -5.699  -2.283
   47    HG3  LYS   5           HG3      LYS   5  -3.798  -6.366  -1.149
   48    HD2  LYS   5           HD2      LYS   5  -6.095  -7.347  -0.050
   49    HD3  LYS   5           HD3      LYS   5  -6.616  -7.226  -1.720
   50    HE2  LYS   5           HE2      LYS   5  -4.180  -8.381  -2.119
   51    HE3  LYS   5           HE3      LYS   5  -4.509  -8.989  -0.509
   52    HZ1  LYS   5           HZ1      LYS   5  -6.598  -9.150  -2.527
   53    HZ2  LYS   5           HZ2      LYS   5  -5.381 -10.238  -2.557
   54    HZ3  LYS   5           HZ3      LYS   5  -6.334 -10.115  -1.237
   55    H    ARG   6           H        ARG   6  -5.735  -1.108  -1.405
   56    HA   ARG   6           HA       ARG   6  -8.129  -0.574  -0.447
   57    HB2  ARG   6           HB2      ARG   6  -6.397  -1.282   1.800
   58    HB3  ARG   6           HB3      ARG   6  -6.932   0.378   1.966
   59    HG2  ARG   6           HG2      ARG   6  -9.173  -0.209   2.191
   60    HG3  ARG   6           HG3      ARG   6  -9.024  -1.620   1.162
   61    HD2  ARG   6           HD2      ARG   6  -8.193  -2.979   2.902
   62    HD3  ARG   6           HD3      ARG   6  -7.565  -1.619   3.811
   63    HE   ARG   6           HE       ARG   6 -10.315  -1.185   3.784
   64   HH11  ARG   6          HH2       ARG   6  -8.236  -3.839   4.791
   65   HH12  ARG   6          HH2       ARG   6  -9.325  -4.394   6.020
   66   HH21  ARG   6          HH1       ARG   6 -11.751  -1.916   5.404
   67   HH22  ARG   6          HH1       ARG   6 -11.337  -3.293   6.370
   68    H    ARG   7           H        ARG   7  -7.830   1.841   1.046
   69    HA   ARG   7           HA       ARG   7  -7.047   3.569  -0.912
   70    HB2  ARG   7           HB2      ARG   7  -8.132   3.725   1.713
   71    HB3  ARG   7           HB3      ARG   7  -6.706   4.743   1.757
   72    HG2  ARG   7           HG2      ARG   7  -8.295   5.123  -0.709
   73    HG3  ARG   7           HG3      ARG   7  -9.213   5.472   0.742
   74    HD2  ARG   7           HD2      ARG   7  -7.067   6.841   1.473
   75    HD3  ARG   7           HD3      ARG   7  -6.655   6.785  -0.230
   76    HE   ARG   7           HE       ARG   7  -9.291   7.621  -0.265
   77   HH11  ARG   7          HH2       ARG   7  -6.408   8.758   1.404
   78   HH12  ARG   7          HH2       ARG   7  -6.934  10.408   1.456
   79   HH21  ARG   7          HH1       ARG   7  -9.984   9.798  -0.196
   80   HH22  ARG   7          HH1       ARG   7  -8.981  11.003   0.540
   81    H    TRP   8           H        TRP   8  -5.112   1.686   1.252
   82    HA   TRP   8           HA       TRP   8  -2.926   3.457   1.552
   83    HB2  TRP   8           HB2      TRP   8  -3.343   0.506   1.930
   84    HB3  TRP   8           HB3      TRP   8  -1.738   1.202   2.034
   85    HD1  TRP   8           HD1      TRP   8  -1.819   3.558   3.871
   86    HE1  TRP   8           HE1      TRP   8  -2.751   3.630   6.338
   87    HE3  TRP   8           HE3      TRP   8  -4.826  -0.517   3.413
   88    HZ2  TRP   8           HZ2      TRP   8  -4.601   2.012   7.789
   89    HZ3  TRP   8           HZ3      TRP   8  -6.162  -1.204   5.402
   90    HH2  TRP   8           HH2      TRP   8  -6.084  -0.012   7.535
   91    H    LYS   9           H        LYS   9  -1.517   4.100  -0.019
   92    HA   LYS   9           HA       LYS   9  -0.783   2.199  -2.077
   93    HB2  LYS   9           HB2      LYS   9  -2.841   3.463  -2.877
   94    HB3  LYS   9           HB3      LYS   9  -1.858   4.914  -2.874
   95    HG2  LYS   9           HG2      LYS   9  -0.267   3.899  -4.463
   96    HG3  LYS   9           HG3      LYS   9  -1.115   2.367  -4.388
   97    HD2  LYS   9           HD2      LYS   9  -2.461   3.051  -6.075
   98    HD3  LYS   9           HD3      LYS   9  -3.100   4.308  -5.035
   99    HE2  LYS   9           HE2      LYS   9  -1.865   5.958  -6.050
  100    HE3  LYS   9           HE3      LYS   9  -0.429   4.959  -6.156
  101    HZ1  LYS   9           HZ1      LYS   9  -2.773   4.647  -7.900
  102    HZ2  LYS   9           HZ2      LYS   9  -1.427   5.477  -8.308
  103    HZ3  LYS   9           HZ3      LYS   9  -1.346   3.867  -8.044
  104    H    LYS  10           H        LYS  10   0.284   3.745   0.379
  105    HA   LYS  10           HA       LYS  10   2.340   5.327  -0.962
  106    HB2  LYS  10           HB2      LYS  10   0.907   6.089   1.090
  107    HB3  LYS  10           HB3      LYS  10   2.008   5.093   2.020
  108    HG2  LYS  10           HG2      LYS  10   3.669   6.577   0.253
  109    HG3  LYS  10           HG3      LYS  10   2.468   7.721   0.819
  110    HD2  LYS  10           HD2      LYS  10   3.590   5.950   2.940
  111    HD3  LYS  10           HD3      LYS  10   4.753   7.038   2.210
  112    HE2  LYS  10           HE2      LYS  10   2.727   8.808   2.569
  113    HE3  LYS  10           HE3      LYS  10   2.314   7.683   3.847
  114    HZ1  LYS  10           HZ1      LYS  10   4.301   9.589   3.866
  115    HZ2  LYS  10           HZ2      LYS  10   3.948   8.510   5.039
  116    HZ3  LYS  10           HZ3      LYS  10   5.060   8.145   3.901
  117    H    ALA  11           H        ALA  11   2.876   2.960  -1.829
  118    HA   ALA  11           HA       ALA  11   3.930   0.982  -0.352
  119    HB1  ALA  11           HB1      ALA  11   3.756   0.929  -2.785
  120    HB2  ALA  11           HB2      ALA  11   5.011   2.182  -2.933
  121    HB3  ALA  11           HB3      ALA  11   5.432   0.571  -2.306
  122    H    LYS  12           H        LYS  12   6.282   3.238  -1.902
  123    HA   LYS  12           HA       LYS  12   8.057   4.293  -1.098
  124    HB2  LYS  12           HB2      LYS  12   6.341   4.157   1.230
  125    HB3  LYS  12           HB3      LYS  12   8.019   3.998   1.708
  126    HG2  LYS  12           HG2      LYS  12   7.599   6.078  -0.360
  127    HG3  LYS  12           HG3      LYS  12   6.715   6.397   1.120
  128    HD2  LYS  12           HD2      LYS  12   9.088   5.690   2.225
  129    HD3  LYS  12           HD3      LYS  12   9.686   6.244   0.674
  130    HE2  LYS  12           HE2      LYS  12   7.719   7.960   2.220
  131    HE3  LYS  12           HE3      LYS  12   9.412   7.965   2.670
  132    HZ1  LYS  12           HZ1      LYS  12   8.838   8.260  -0.140
  133    HZ2  LYS  12           HZ2      LYS  12   8.439   9.523   0.813
  134    HZ3  LYS  12           HZ3      LYS  12   9.981   8.987   0.771
  135    HA   DPR  13           HA       DPR  13  11.213   1.438  -0.183
  136    HB2  DPR  13           HB2      DPR  13  12.359   1.277  -2.656
  137    HB3  DPR  13           HB3      DPR  13  12.242   2.800  -1.759
  138    HG2  DPR  13           HG2      DPR  13  11.174   3.367  -3.895
  139    HG3  DPR  13           HG3      DPR  13  10.354   1.787  -3.965
  140    HD2  DPR  13           HD2      DPR  13   8.560   3.013  -3.016
  141    HD3  DPR  13           HD3      DPR  13   9.653   4.188  -2.219
  142    HA   PRO  14           HA       PRO  14  11.307  -2.817  -1.313
  143    HB2  PRO  14           HB2      PRO  14  10.652  -3.911   1.158
  144    HB3  PRO  14           HB3      PRO  14  12.185  -3.112   0.786
  145    HG2  PRO  14           HG2      PRO  14   9.739  -1.873   2.164
  146    HG3  PRO  14           HG3      PRO  14  11.432  -1.813   2.701
  147    HD2  PRO  14           HD2      PRO  14  10.288   0.285   1.291
  148    HD3  PRO  14           HD3      PRO  14  12.003  -0.147   1.032
  Start of MODEL   15
    1    H1   THR   1           H        THR   1   8.311  -5.008   0.072
    2    HA   THR   1           HA       THR   1   6.578  -4.378  -1.341
    3    HB   THR   1           HB       THR   1   5.720  -6.156   0.969
    4    HG1  THR   1           HG1      THR   1   6.121  -6.363  -1.934
    5   HG21  THR   1          HG2       THR   1   3.983  -4.938  -1.134
    6   HG22  THR   1          HG2       THR   1   3.935  -6.716  -1.068
    7   HG23  THR   1          HG2       THR   1   3.521  -5.759   0.375
    8    H    TRP   2           H        TRP   2   5.122  -2.841  -1.883
    9    HA   TRP   2           HA       TRP   2   4.599  -0.823   0.052
   10    HB2  TRP   2           HB2      TRP   2   3.056  -0.761  -2.444
   11    HB3  TRP   2           HB3      TRP   2   4.068   0.462  -1.702
   12    HD1  TRP   2           HD1      TRP   2   6.851  -1.266  -1.780
   13    HE1  TRP   2           HE1      TRP   2   8.158  -1.632  -4.043
   14    HE3  TRP   2           HE3      TRP   2   2.878  -0.381  -4.826
   15    HZ2  TRP   2           HZ2      TRP   2   7.401  -1.513  -6.791
   16    HZ3  TRP   2           HZ3      TRP   2   3.246  -0.527  -7.287
   17    HH2  TRP   2           HH2      TRP   2   5.413  -1.070  -8.280
   18    H    LEU   3           H        LEU   3   2.828  -0.622   1.382
   19    HA   LEU   3           HA       LEU   3   1.040  -2.776   1.614
   20    HB2  LEU   3           HB2      LEU   3   1.004   0.014   2.771
   21    HB3  LEU   3           HB3      LEU   3  -0.115  -1.256   3.226
   22    HG   LEU   3           HG       LEU   3   2.806  -1.848   3.435
   23   HD11  LEU   3          HD1       LEU   3   1.630  -0.528   5.810
   24   HD12  LEU   3          HD1       LEU   3   3.291  -0.494   5.173
   25   HD13  LEU   3          HD1       LEU   3   2.035   0.534   4.441
   26   HD21  LEU   3          HD2       LEU   3   0.286  -2.914   4.423
   27   HD22  LEU   3          HD2       LEU   3   1.893  -3.672   4.323
   28   HD23  LEU   3          HD2       LEU   3   1.469  -2.667   5.730
   29    H    LYS   4           H        LYS   4  -1.502  -2.029   1.821
   30    HA   LYS   4           HA       LYS   4  -2.407  -0.249  -0.156
   31    HB2  LYS   4           HB2      LYS   4  -1.513  -1.922  -1.709
   32    HB3  LYS   4           HB3      LYS   4  -2.452  -3.181  -0.934
   33    HG2  LYS   4           HG2      LYS   4  -4.332  -2.610  -2.080
   34    HG3  LYS   4           HG3      LYS   4  -4.173  -0.921  -1.640
   35    HD2  LYS   4           HD2      LYS   4  -3.680  -0.536  -3.828
   36    HD3  LYS   4           HD3      LYS   4  -2.111  -1.242  -3.491
   37    HE2  LYS   4           HE2      LYS   4  -2.569  -3.008  -4.840
   38    HE3  LYS   4           HE3      LYS   4  -3.993  -3.401  -3.896
   39    HZ1  LYS   4           HZ1      LYS   4  -3.828  -2.099  -6.394
   40    HZ2  LYS   4           HZ2      LYS   4  -5.127  -2.763  -5.660
   41    HZ3  LYS   4           HZ3      LYS   4  -4.708  -1.218  -5.337
   42    H    LYS   5           H        LYS   5  -3.248  -3.483   1.284
   43    HA   LYS   5           HA       LYS   5  -4.945  -4.119   2.543
   44    HB2  LYS   5           HB2      LYS   5  -4.072  -1.875   3.747
   45    HB3  LYS   5           HB3      LYS   5  -5.707  -1.365   3.384
   46    HG2  LYS   5           HG2      LYS   5  -6.638  -2.817   4.898
   47    HG3  LYS   5           HG3      LYS   5  -5.556  -4.125   4.462
   48    HD2  LYS   5           HD2      LYS   5  -4.447  -1.757   5.985
   49    HD3  LYS   5           HD3      LYS   5  -5.380  -2.958   6.853
   50    HE2  LYS   5           HE2      LYS   5  -3.585  -4.341   6.911
   51    HE3  LYS   5           HE3      LYS   5  -3.539  -4.380   5.158
   52    HZ1  LYS   5           HZ1      LYS   5  -1.545  -3.466   6.398
   53    HZ2  LYS   5           HZ2      LYS   5  -2.075  -2.621   5.104
   54    HZ3  LYS   5           HZ3      LYS   5  -2.424  -2.106   6.615
   55    H    ARG   6           H        ARG   6  -6.269  -0.888   1.580
   56    HA   ARG   6           HA       ARG   6  -7.703  -1.814  -0.565
   57    HB2  ARG   6           HB2      ARG   6 -10.037  -1.833   0.447
   58    HB3  ARG   6           HB3      ARG   6  -9.037  -3.186   0.938
   59    HG2  ARG   6           HG2      ARG   6  -8.374  -1.671   2.985
   60    HG3  ARG   6           HG3      ARG   6  -9.777  -0.717   2.546
   61    HD2  ARG   6           HD2      ARG   6 -10.828  -3.283   2.477
   62    HD3  ARG   6           HD3      ARG   6  -9.643  -3.433   3.758
   63    HE   ARG   6           HE       ARG   6 -11.232  -1.009   4.041
   64   HH11  ARG   6          HH2       ARG   6 -11.222  -4.476   4.643
   65   HH12  ARG   6          HH2       ARG   6 -12.361  -4.383   5.944
   66   HH21  ARG   6          HH1       ARG   6 -12.734  -0.886   5.758
   67   HH22  ARG   6          HH1       ARG   6 -13.227  -2.326   6.582
   68    H    ARG   7           H        ARG   7  -6.333   0.414  -0.502
   69    HA   ARG   7           HA       ARG   7  -7.819   2.416  -1.222
   70    HB2  ARG   7           HB2      ARG   7  -8.061   2.158   1.729
   71    HB3  ARG   7           HB3      ARG   7  -7.601   3.771   1.216
   72    HG2  ARG   7           HG2      ARG   7  -9.648   4.196   0.277
   73    HG3  ARG   7           HG3      ARG   7  -9.760   2.602  -0.444
   74    HD2  ARG   7           HD2      ARG   7 -11.079   1.843   1.247
   75    HD3  ARG   7           HD3      ARG   7  -9.942   2.387   2.464
   76    HE   ARG   7           HE       ARG   7 -11.299   4.678   1.419
   77   HH11  ARG   7          HH2       ARG   7 -11.941   1.836   3.392
   78   HH12  ARG   7          HH2       ARG   7 -13.225   2.586   4.281
   79   HH21  ARG   7          HH1       ARG   7 -12.992   5.668   2.592
   80   HH22  ARG   7          HH1       ARG   7 -13.827   4.780   3.823
   81    H    TRP   8           H        TRP   8  -5.075   1.229   0.593
   82    HA   TRP   8           HA       TRP   8  -3.576   3.696   0.205
   83    HB2  TRP   8           HB2      TRP   8  -2.990   1.129   1.680
   84    HB3  TRP   8           HB3      TRP   8  -1.797   2.391   1.442
   85    HD1  TRP   8           HD1      TRP   8  -2.411   4.845   2.668
   86    HE1  TRP   8           HE1      TRP   8  -3.707   5.436   4.889
   87    HE3  TRP   8           HE3      TRP   8  -4.824   0.387   3.067
   88    HZ2  TRP   8           HZ2      TRP   8  -5.554   4.005   6.528
   89    HZ3  TRP   8           HZ3      TRP   8  -6.355   0.065   5.008
   90    HH2  TRP   8           HH2      TRP   8  -6.737   1.785   6.702
   91    H    LYS   9           H        LYS   9  -1.377   3.504  -0.849
   92    HA   LYS   9           HA       LYS   9  -0.647   1.287  -2.353
   93    HB2  LYS   9           HB2      LYS   9  -2.865   2.145  -3.507
   94    HB3  LYS   9           HB3      LYS   9  -1.794   3.333  -4.222
   95    HG2  LYS   9           HG2      LYS   9  -0.441   1.656  -5.277
   96    HG3  LYS   9           HG3      LYS   9  -1.086   0.376  -4.267
   97    HD2  LYS   9           HD2      LYS   9  -2.562  -0.061  -5.936
   98    HD3  LYS   9           HD3      LYS   9  -3.378   1.427  -5.499
   99    HE2  LYS   9           HE2      LYS   9  -1.493   2.546  -7.035
  100    HE3  LYS   9           HE3      LYS   9  -1.390   0.939  -7.725
  101    HZ1  LYS   9           HZ1      LYS   9  -4.044   2.014  -7.381
  102    HZ2  LYS   9           HZ2      LYS   9  -3.124   2.719  -8.532
  103    HZ3  LYS   9           HZ3      LYS   9  -3.434   1.116  -8.601
  104    H    LYS  10           H        LYS  10   0.689   2.927  -0.607
  105    HA   LYS  10           HA       LYS  10   2.010   5.018  -2.061
  106    HB2  LYS  10           HB2      LYS  10   1.444   4.707   0.538
  107    HB3  LYS  10           HB3      LYS  10   3.046   3.996   0.546
  108    HG2  LYS  10           HG2      LYS  10   3.733   6.173   0.788
  109    HG3  LYS  10           HG3      LYS  10   3.564   6.216  -0.957
  110    HD2  LYS  10           HD2      LYS  10   1.198   7.035  -0.686
  111    HD3  LYS  10           HD3      LYS  10   1.413   7.039   1.053
  112    HE2  LYS  10           HE2      LYS  10   3.140   8.650  -0.887
  113    HE3  LYS  10           HE3      LYS  10   1.763   9.305  -0.024
  114    HZ1  LYS  10           HZ1      LYS  10   2.988   8.415   2.019
  115    HZ2  LYS  10           HZ2      LYS  10   4.309   8.392   1.059
  116    HZ3  LYS  10           HZ3      LYS  10   3.522   9.797   1.329
  117    H    ALA  11           H        ALA  11   4.691   4.569  -1.014
  118    HA   ALA  11           HA       ALA  11   5.467   2.103  -2.381
  119    HB1  ALA  11           HB1      ALA  11   5.932   3.465  -4.168
  120    HB2  ALA  11           HB2      ALA  11   6.092   4.920  -3.158
  121    HB3  ALA  11           HB3      ALA  11   7.425   3.743  -3.241
  122    H    LYS  12           H        LYS  12   7.779   4.628  -1.546
  123    HA   LYS  12           HA       LYS  12   9.534   4.495  -0.174
  124    HB2  LYS  12           HB2      LYS  12   7.615   5.539   1.131
  125    HB3  LYS  12           HB3      LYS  12   7.428   3.999   1.943
  126    HG2  LYS  12           HG2      LYS  12   9.064   4.621   3.383
  127    HG3  LYS  12           HG3      LYS  12  10.207   4.524   2.059
  128    HD2  LYS  12           HD2      LYS  12   9.847   6.881   1.486
  129    HD3  LYS  12           HD3      LYS  12   8.526   7.008   2.629
  130    HE2  LYS  12           HE2      LYS  12  10.661   6.038   4.191
  131    HE3  LYS  12           HE3      LYS  12  11.428   7.180   3.107
  132    HZ1  LYS  12           HZ1      LYS  12  10.448   8.855   4.138
  133    HZ2  LYS  12           HZ2      LYS  12   8.975   8.151   4.152
  134    HZ3  LYS  12           HZ3      LYS  12  10.054   7.811   5.330
  135    HA   DPR  13           HA       DPR  13  11.186   0.590   0.537
  136    HB2  DPR  13           HB2      DPR  13  11.799  -0.383  -1.938
  137    HB3  DPR  13           HB3      DPR  13  12.445   1.152  -1.335
  138    HG2  DPR  13           HG2      DPR  13  11.408   1.818  -3.458
  139    HG3  DPR  13           HG3      DPR  13  10.014   0.748  -3.173
  140    HD2  DPR  13           HD2      DPR  13   9.033   2.741  -2.343
  141    HD3  DPR  13           HD3      DPR  13  10.612   3.433  -1.859
  142    HA   PRO  14           HA       PRO  14   8.998  -3.215  -1.280
  143    HB2  PRO  14           HB2      PRO  14  10.217  -5.103   0.359
  144    HB3  PRO  14           HB3      PRO  14  10.938  -4.428  -1.108
  145    HG2  PRO  14           HG2      PRO  14  11.438  -3.530   1.784
  146    HG3  PRO  14           HG3      PRO  14  12.651  -3.908   0.540
  147    HD2  PRO  14           HD2      PRO  14  11.877  -1.293   1.057
  148    HD3  PRO  14           HD3      PRO  14  12.266  -1.806  -0.610
  Start of MODEL   16
    1    H1   THR   1           H        THR   1   9.715  -2.961   0.444
    2    HA   THR   1           HA       THR   1   7.199  -4.396   0.406
    3    HB   THR   1           HB       THR   1   8.896  -5.000   2.070
    4    HG1  THR   1           HG1      THR   1   6.886  -3.247   3.283
    5   HG21  THR   1          HG2       THR   1   8.905  -2.853   3.888
    6   HG22  THR   1          HG2       THR   1  10.271  -3.340   2.857
    7   HG23  THR   1          HG2       THR   1   9.153  -2.067   2.311
    8    H    TRP   2           H        TRP   2   5.790  -2.957  -0.684
    9    HA   TRP   2           HA       TRP   2   5.390  -0.367   0.577
   10    HB2  TRP   2           HB2      TRP   2   3.563  -0.439  -1.387
   11    HB3  TRP   2           HB3      TRP   2   5.217   0.100  -1.598
   12    HD1  TRP   2           HD1      TRP   2   6.961  -2.055  -2.471
   13    HE1  TRP   2           HE1      TRP   2   6.557  -3.889  -4.325
   14    HE3  TRP   2           HE3      TRP   2   1.888  -1.698  -2.467
   15    HZ2  TRP   2           HZ2      TRP   2   4.215  -4.961  -5.553
   16    HZ3  TRP   2           HZ3      TRP   2   0.618  -3.173  -4.023
   17    HH2  TRP   2           HH2      TRP   2   1.701  -4.763  -5.531
   18    H    LEU   3           H        LEU   3   3.276  -3.101  -0.580
   19    HA   LEU   3           HA       LEU   3   1.544  -4.108   0.356
   20    HB2  LEU   3           HB2      LEU   3   3.144  -3.339   2.600
   21    HB3  LEU   3           HB3      LEU   3   1.455  -3.137   3.021
   22    HG   LEU   3           HG       LEU   3   2.547  -5.695   1.830
   23   HD11  LEU   3          HD1       LEU   3   2.070  -5.227   4.776
   24   HD12  LEU   3          HD1       LEU   3   2.866  -6.606   3.981
   25   HD13  LEU   3          HD1       LEU   3   3.664  -5.015   4.011
   26   HD21  LEU   3          HD2       LEU   3   0.478  -6.600   3.055
   27   HD22  LEU   3          HD2       LEU   3  -0.056  -4.904   3.127
   28   HD23  LEU   3          HD2       LEU   3   0.227  -5.681   1.551
   29    H    LYS   4           H        LYS   4  -0.346  -3.139   2.320
   30    HA   LYS   4           HA       LYS   4  -2.084  -1.790   2.515
   31    HB2  LYS   4           HB2      LYS   4   0.065   0.030   1.753
   32    HB3  LYS   4           HB3      LYS   4  -1.497   0.607   1.207
   33    HG2  LYS   4           HG2      LYS   4  -2.374   0.116   3.582
   34    HG3  LYS   4           HG3      LYS   4  -0.708  -0.145   4.055
   35    HD2  LYS   4           HD2      LYS   4  -0.094   2.138   3.474
   36    HD3  LYS   4           HD3      LYS   4  -1.634   2.417   2.685
   37    HE2  LYS   4           HE2      LYS   4  -2.064   3.417   4.745
   38    HE3  LYS   4           HE3      LYS   4  -2.635   1.795   5.082
   39    HZ1  LYS   4           HZ1      LYS   4  -0.893   1.392   6.412
   40    HZ2  LYS   4           HZ2      LYS   4   0.171   2.268   5.537
   41    HZ3  LYS   4           HZ3      LYS   4  -0.856   3.017   6.563
   42    H    LYS   5           H        LYS   5  -4.033  -1.553   1.415
   43    HA   LYS   5           HA       LYS   5  -3.919  -1.495  -1.489
   44    HB2  LYS   5           HB2      LYS   5  -4.887  -3.808   0.150
   45    HB3  LYS   5           HB3      LYS   5  -5.761  -3.401  -1.313
   46    HG2  LYS   5           HG2      LYS   5  -3.608  -3.490  -2.607
   47    HG3  LYS   5           HG3      LYS   5  -2.757  -3.936  -1.143
   48    HD2  LYS   5           HD2      LYS   5  -4.524  -5.894  -0.997
   49    HD3  LYS   5           HD3      LYS   5  -4.814  -5.545  -2.690
   50    HE2  LYS   5           HE2      LYS   5  -2.685  -6.251  -3.354
   51    HE3  LYS   5           HE3      LYS   5  -1.944  -5.831  -1.822
   52    HZ1  LYS   5           HZ1      LYS   5  -3.892  -8.007  -2.018
   53    HZ2  LYS   5           HZ2      LYS   5  -2.304  -8.255  -2.308
   54    HZ3  LYS   5           HZ3      LYS   5  -2.793  -7.736  -0.839
   55    H    ARG   6           H        ARG   6  -6.168  -1.110  -2.414
   56    HA   ARG   6           HA       ARG   6  -8.007   0.021  -2.497
   57    HB2  ARG   6           HB2      ARG   6  -8.343  -1.447  -0.184
   58    HB3  ARG   6           HB3      ARG   6  -8.543   0.177   0.443
   59    HG2  ARG   6           HG2      ARG   6 -10.315   0.647  -1.211
   60    HG3  ARG   6           HG3      ARG   6 -10.058  -0.908  -1.978
   61    HD2  ARG   6           HD2      ARG   6 -10.651  -0.920   0.975
   62    HD3  ARG   6           HD3      ARG   6 -11.974  -0.519  -0.102
   63    HE   ARG   6           HE       ARG   6 -10.680  -3.131   0.177
   64   HH11  ARG   6          HH2       ARG   6 -12.587  -1.080  -1.954
   65   HH12  ARG   6          HH2       ARG   6 -13.242  -2.407  -2.854
   66   HH21  ARG   6          HH1       ARG   6 -11.544  -4.882  -1.011
   67   HH22  ARG   6          HH1       ARG   6 -12.644  -4.584  -2.315
   68    H    ARG   7           H        ARG   7  -9.090   1.863  -0.327
   69    HA   ARG   7           HA       ARG   7  -8.128   4.187  -1.091
   70    HB2  ARG   7           HB2      ARG   7  -9.817   3.336   0.931
   71    HB3  ARG   7           HB3      ARG   7  -8.530   4.069   1.867
   72    HG2  ARG   7           HG2      ARG   7  -9.525   6.071   1.459
   73    HG3  ARG   7           HG3      ARG   7  -8.937   5.930  -0.185
   74    HD2  ARG   7           HD2      ARG   7 -11.164   4.392  -0.425
   75    HD3  ARG   7           HD3      ARG   7 -11.695   5.411   0.898
   76    HE   ARG   7           HE       ARG   7 -11.211   6.249  -1.873
   77   HH11  ARG   7          HH2       ARG   7 -11.522   7.322   1.464
   78   HH12  ARG   7          HH2       ARG   7 -11.935   8.949   1.037
   79   HH21  ARG   7          HH1       ARG   7 -11.756   8.396  -2.437
   80   HH22  ARG   7          HH1       ARG   7 -12.070   9.563  -1.197
   81    H    TRP   8           H        TRP   8  -6.504   1.864   1.028
   82    HA   TRP   8           HA       TRP   8  -4.594   3.731   2.053
   83    HB2  TRP   8           HB2      TRP   8  -4.815   0.723   2.103
   84    HB3  TRP   8           HB3      TRP   8  -3.448   1.585   2.781
   85    HD1  TRP   8           HD1      TRP   8  -4.044   3.250   4.949
   86    HE1  TRP   8           HE1      TRP   8  -5.876   3.120   6.843
   87    HE3  TRP   8           HE3      TRP   8  -7.105   0.016   2.494
   88    HZ2  TRP   8           HZ2      TRP   8  -8.344   1.710   7.097
   89    HZ3  TRP   8           HZ3      TRP   8  -9.206  -0.687   3.635
   90    HH2  TRP   8           HH2      TRP   8  -9.845   0.105   5.858
   91    H    LYS   9           H        LYS   9  -3.447   0.694   0.645
   92    HA   LYS   9           HA       LYS   9  -1.741   0.347  -0.744
   93    HB2  LYS   9           HB2      LYS   9  -3.579   0.291  -2.289
   94    HB3  LYS   9           HB3      LYS   9  -3.598   2.036  -2.438
   95    HG2  LYS   9           HG2      LYS   9  -1.638   2.096  -3.737
   96    HG3  LYS   9           HG3      LYS   9  -1.031   0.586  -3.088
   97    HD2  LYS   9           HD2      LYS   9  -1.717  -0.099  -5.217
   98    HD3  LYS   9           HD3      LYS   9  -3.145  -0.480  -4.276
   99    HE2  LYS   9           HE2      LYS   9  -4.375   1.326  -5.135
  100    HE3  LYS   9           HE3      LYS   9  -2.946   2.288  -5.459
  101    HZ1  LYS   9           HZ1      LYS   9  -4.292   0.652  -7.212
  102    HZ2  LYS   9           HZ2      LYS   9  -2.923   1.496  -7.495
  103    HZ3  LYS   9           HZ3      LYS   9  -2.836  -0.049  -6.976
  104    H    LYS  10           H        LYS  10   0.067   1.242   0.253
  105    HA   LYS  10           HA       LYS  10   0.695   3.980  -0.611
  106    HB2  LYS  10           HB2      LYS  10   0.248   3.554   1.880
  107    HB3  LYS  10           HB3      LYS  10   1.753   2.656   1.891
  108    HG2  LYS  10           HG2      LYS  10   3.048   4.549   1.666
  109    HG3  LYS  10           HG3      LYS  10   1.923   5.319   0.565
  110    HD2  LYS  10           HD2      LYS  10   0.367   5.671   2.591
  111    HD3  LYS  10           HD3      LYS  10   1.701   5.152   3.603
  112    HE2  LYS  10           HE2      LYS  10   3.008   7.015   2.102
  113    HE3  LYS  10           HE3      LYS  10   1.390   7.682   2.012
  114    HZ1  LYS  10           HZ1      LYS  10   2.977   8.192   3.999
  115    HZ2  LYS  10           HZ2      LYS  10   1.362   8.088   4.215
  116    HZ3  LYS  10           HZ3      LYS  10   2.322   6.829   4.614
  117    H    ALA  11           H        ALA  11   3.135   4.372  -0.767
  118    HA   ALA  11           HA       ALA  11   4.427   1.931  -1.776
  119    HB1  ALA  11           HB1      ALA  11   4.918   4.693  -2.906
  120    HB2  ALA  11           HB2      ALA  11   5.226   3.106  -3.650
  121    HB3  ALA  11           HB3      ALA  11   3.557   3.700  -3.481
  122    H    LYS  12           H        LYS  12   6.637   1.675  -1.278
  123    HA   LYS  12           HA       LYS  12   8.339   3.588  -0.341
  124    HB2  LYS  12           HB2      LYS  12   6.320   3.165   1.587
  125    HB3  LYS  12           HB3      LYS  12   7.740   2.343   2.202
  126    HG2  LYS  12           HG2      LYS  12   9.093   4.434   1.771
  127    HG3  LYS  12           HG3      LYS  12   7.628   5.247   1.255
  128    HD2  LYS  12           HD2      LYS  12   6.695   5.247   3.425
  129    HD3  LYS  12           HD3      LYS  12   7.663   3.886   3.957
  130    HE2  LYS  12           HE2      LYS  12   9.565   5.202   4.353
  131    HE3  LYS  12           HE3      LYS  12   9.117   6.405   3.159
  132    HZ1  LYS  12           HZ1      LYS  12   7.759   7.440   4.613
  133    HZ2  LYS  12           HZ2      LYS  12   7.369   6.089   5.444
  134    HZ3  LYS  12           HZ3      LYS  12   8.808   6.817   5.698
  135    HA   DPR  13           HA       DPR  13  11.260   0.429  -0.423
  136    HB2  DPR  13           HB2      DPR  13  11.837   0.182  -3.080
  137    HB3  DPR  13           HB3      DPR  13  12.050   1.704  -2.198
  138    HG2  DPR  13           HG2      DPR  13  10.610   2.379  -4.068
  139    HG3  DPR  13           HG3      DPR  13   9.655   0.881  -3.942
  140    HD2  DPR  13           HD2      DPR  13   8.220   2.259  -2.650
  141    HD3  DPR  13           HD3      DPR  13   9.558   3.323  -2.117
  142    HA   PRO  14           HA       PRO  14  10.307  -3.560  -2.678
  143    HB2  PRO  14           HB2      PRO  14  12.036  -5.163  -1.203
  144    HB3  PRO  14           HB3      PRO  14  12.530  -4.106  -2.533
  145    HG2  PRO  14           HG2      PRO  14  12.657  -3.486   0.471
  146    HG3  PRO  14           HG3      PRO  14  13.951  -3.293  -0.732
  147    HD2  PRO  14           HD2      PRO  14  12.365  -1.151   0.042
  148    HD3  PRO  14           HD3      PRO  14  12.931  -1.289  -1.647
  Start of MODEL   17
    1    H1   THR   1           H        THR   1   8.272  -0.828   1.250
    2    HA   THR   1           HA       THR   1   6.509  -1.033  -0.090
    3    HB   THR   1           HB       THR   1   8.259  -2.930  -0.881
    4    HG1  THR   1           HG1      THR   1   6.883  -2.829  -2.662
    5   HG21  THR   1          HG2       THR   1   5.778  -4.616  -0.752
    6   HG22  THR   1          HG2       THR   1   7.485  -5.120  -0.774
    7   HG23  THR   1          HG2       THR   1   6.747  -4.539   0.739
    8    H    TRP   2           H        TRP   2   4.304  -1.256   0.047
    9    HA   TRP   2           HA       TRP   2   3.413  -2.728   2.423
   10    HB2  TRP   2           HB2      TRP   2   2.706  -0.152   1.210
   11    HB3  TRP   2           HB3      TRP   2   1.319  -1.135   1.635
   12    HD1  TRP   2           HD1      TRP   2   3.976  -1.932   4.083
   13    HE1  TRP   2           HE1      TRP   2   3.700  -0.672   6.386
   14    HE3  TRP   2           HE3      TRP   2   0.530   1.424   2.435
   15    HZ2  TRP   2           HZ2      TRP   2   2.109   1.538   7.240
   16    HZ3  TRP   2           HZ3      TRP   2  -0.333   3.099   4.067
   17    HH2  TRP   2           HH2      TRP   2   0.401   3.190   6.396
   18    H    LEU   3           H        LEU   3   1.344  -1.616  -0.259
   19    HA   LEU   3           HA       LEU   3   1.351  -3.976  -1.750
   20    HB2  LEU   3           HB2      LEU   3   0.372  -4.732   0.507
   21    HB3  LEU   3           HB3      LEU   3  -1.057  -3.830   0.044
   22    HG   LEU   3           HG       LEU   3  -1.446  -6.099  -0.522
   23   HD11  LEU   3          HD1       LEU   3  -1.979  -5.982  -2.827
   24   HD12  LEU   3          HD1       LEU   3  -2.091  -4.319  -2.200
   25   HD13  LEU   3          HD1       LEU   3  -0.671  -4.819  -3.149
   26   HD21  LEU   3          HD2       LEU   3   0.255  -7.058  -2.373
   27   HD22  LEU   3          HD2       LEU   3   1.376  -6.041  -1.434
   28   HD23  LEU   3          HD2       LEU   3   0.448  -7.326  -0.624
   29    H    LYS   4           H        LYS   4  -1.035  -1.580  -0.408
   30    HA   LYS   4           HA       LYS   4  -1.951   0.178  -1.468
   31    HB2  LYS   4           HB2      LYS   4   0.078   0.020  -3.069
   32    HB3  LYS   4           HB3      LYS   4  -1.013  -0.812  -4.159
   33    HG2  LYS   4           HG2      LYS   4  -2.473   1.444  -3.239
   34    HG3  LYS   4           HG3      LYS   4  -0.853   2.043  -3.531
   35    HD2  LYS   4           HD2      LYS   4  -0.933   1.581  -5.820
   36    HD3  LYS   4           HD3      LYS   4  -2.038   0.234  -5.624
   37    HE2  LYS   4           HE2      LYS   4  -3.839   1.952  -4.961
   38    HE3  LYS   4           HE3      LYS   4  -2.719   3.205  -5.461
   39    HZ1  LYS   4           HZ1      LYS   4  -4.386   1.731  -7.064
   40    HZ2  LYS   4           HZ2      LYS   4  -3.268   2.822  -7.542
   41    HZ3  LYS   4           HZ3      LYS   4  -2.875   1.240  -7.444
   42    H    LYS   5           H        LYS   5  -3.902  -0.785  -0.704
   43    HA   LYS   5           HA       LYS   5  -5.535  -1.770  -2.882
   44    HB2  LYS   5           HB2      LYS   5  -4.332  -3.699  -1.484
   45    HB3  LYS   5           HB3      LYS   5  -5.651  -3.393  -0.373
   46    HG2  LYS   5           HG2      LYS   5  -7.083  -3.453  -2.676
   47    HG3  LYS   5           HG3      LYS   5  -5.740  -4.459  -3.185
   48    HD2  LYS   5           HD2      LYS   5  -7.032  -5.015  -0.507
   49    HD3  LYS   5           HD3      LYS   5  -7.865  -5.523  -1.962
   50    HE2  LYS   5           HE2      LYS   5  -6.017  -6.928  -2.651
   51    HE3  LYS   5           HE3      LYS   5  -4.939  -6.218  -1.465
   52    HZ1  LYS   5           HZ1      LYS   5  -5.571  -7.908  -0.208
   53    HZ2  LYS   5           HZ2      LYS   5  -6.982  -7.118   0.026
   54    HZ3  LYS   5           HZ3      LYS   5  -6.873  -8.271  -1.125
   55    H    ARG   6           H        ARG   6  -5.859  -1.804   0.726
   56    HA   ARG   6           HA       ARG   6  -7.883   0.256   0.359
   57    HB2  ARG   6           HB2      ARG   6  -8.368  -2.361   1.181
   58    HB3  ARG   6           HB3      ARG   6  -8.212  -1.534   2.717
   59    HG2  ARG   6           HG2      ARG   6  -9.870   0.216   1.823
   60    HG3  ARG   6           HG3      ARG   6 -10.135  -0.842   0.452
   61    HD2  ARG   6           HD2      ARG   6 -10.514  -1.715   3.357
   62    HD3  ARG   6           HD3      ARG   6 -11.817  -1.129   2.342
   63    HE   ARG   6           HE       ARG   6 -10.325  -3.294   1.076
   64   HH11  ARG   6          HH2       ARG   6 -12.895  -2.564   3.367
   65   HH12  ARG   6          HH2       ARG   6 -13.683  -4.094   3.165
   66   HH21  ARG   6          HH1       ARG   6 -11.365  -5.311   0.809
   67   HH22  ARG   6          HH1       ARG   6 -12.807  -5.667   1.700
   68    H    ARG   7           H        ARG   7  -6.840   2.090   1.146
   69    HA   ARG   7           HA       ARG   7  -6.222   3.452   2.753
   70    HB2  ARG   7           HB2      ARG   7  -7.053   1.344   4.348
   71    HB3  ARG   7           HB3      ARG   7  -5.359   1.442   4.786
   72    HG2  ARG   7           HG2      ARG   7  -6.908   4.023   4.650
   73    HG3  ARG   7           HG3      ARG   7  -7.239   2.952   5.998
   74    HD2  ARG   7           HD2      ARG   7  -4.407   3.002   5.793
   75    HD3  ARG   7           HD3      ARG   7  -4.903   4.662   5.527
   76    HE   ARG   7           HE       ARG   7  -6.367   3.596   7.758
   77   HH11  ARG   7          HH2       ARG   7  -3.127   4.650   6.878
   78   HH12  ARG   7          HH2       ARG   7  -2.693   5.091   8.496
   79   HH21  ARG   7          HH1       ARG   7  -5.796   4.179   9.892
   80   HH22  ARG   7          HH1       ARG   7  -4.222   4.823  10.221
   81    H    TRP   8           H        TRP   8  -4.504   0.660   1.627
   82    HA   TRP   8           HA       TRP   8  -1.932   1.550   2.613
   83    HB2  TRP   8           HB2      TRP   8  -2.840  -0.790   0.941
   84    HB3  TRP   8           HB3      TRP   8  -1.148  -0.423   1.211
   85    HD1  TRP   8           HD1      TRP   8  -0.849   0.038   4.221
   86    HE1  TRP   8           HE1      TRP   8  -1.429  -1.714   6.108
   87    HE3  TRP   8           HE3      TRP   8  -4.056  -2.725   1.403
   88    HZ2  TRP   8           HZ2      TRP   8  -3.125  -4.007   6.207
   89    HZ3  TRP   8           HZ3      TRP   8  -5.131  -4.704   2.471
   90    HH2  TRP   8           HH2      TRP   8  -4.711  -5.360   4.787
   91    H    LYS   9           H        LYS   9  -0.434   2.705   1.399
   92    HA   LYS   9           HA       LYS   9  -1.440   3.841  -1.059
   93    HB2  LYS   9           HB2      LYS   9   0.412   4.601   1.037
   94    HB3  LYS   9           HB3      LYS   9   1.167   4.776  -0.535
   95    HG2  LYS   9           HG2      LYS   9  -1.659   5.792  -0.113
   96    HG3  LYS   9           HG3      LYS   9  -0.304   6.748   0.452
   97    HD2  LYS   9           HD2      LYS   9   0.566   6.130  -2.081
   98    HD3  LYS   9           HD3      LYS   9  -1.165   6.144  -2.347
   99    HE2  LYS   9           HE2      LYS   9  -0.608   8.430  -0.725
  100    HE3  LYS   9           HE3      LYS   9   0.641   8.398  -1.953
  101    HZ1  LYS   9           HZ1      LYS   9  -1.100   8.194  -3.613
  102    HZ2  LYS   9           HZ2      LYS   9  -2.252   8.267  -2.457
  103    HZ3  LYS   9           HZ3      LYS   9  -1.286   9.556  -2.730
  104    H    LYS  10           H        LYS  10   0.905   4.258  -2.524
  105    HA   LYS  10           HA       LYS  10   1.050   2.112  -4.131
  106    HB2  LYS  10           HB2      LYS  10   2.081   4.467  -4.347
  107    HB3  LYS  10           HB3      LYS  10   3.490   3.794  -3.552
  108    HG2  LYS  10           HG2      LYS  10   2.428   2.123  -5.777
  109    HG3  LYS  10           HG3      LYS  10   3.018   3.695  -6.278
  110    HD2  LYS  10           HD2      LYS  10   5.208   3.175  -5.813
  111    HD3  LYS  10           HD3      LYS  10   4.801   2.306  -4.346
  112    HE2  LYS  10           HE2      LYS  10   4.636   0.278  -5.427
  113    HE3  LYS  10           HE3      LYS  10   3.875   0.974  -6.844
  114    HZ1  LYS  10           HZ1      LYS  10   6.051   0.222  -7.379
  115    HZ2  LYS  10           HZ2      LYS  10   6.052   1.853  -7.464
  116    HZ3  LYS  10           HZ3      LYS  10   6.735   1.102  -6.186
  117    H    ALA  11           H        ALA  11   3.613   2.801  -1.641
  118    HA   ALA  11           HA       ALA  11   3.619   0.495  -0.288
  119    HB1  ALA  11           HB1      ALA  11   4.531   0.045  -3.066
  120    HB2  ALA  11           HB2      ALA  11   5.637  -0.580  -1.820
  121    HB3  ALA  11           HB3      ALA  11   3.941  -1.117  -1.853
  122    H    LYS  12           H        LYS  12   5.450   2.955  -2.069
  123    HA   LYS  12           HA       LYS  12   7.395   3.962  -1.651
  124    HB2  LYS  12           HB2      LYS  12   5.532   4.555   0.265
  125    HB3  LYS  12           HB3      LYS  12   6.894   4.081   1.259
  126    HG2  LYS  12           HG2      LYS  12   8.358   5.705   0.144
  127    HG3  LYS  12           HG3      LYS  12   7.117   6.082  -1.035
  128    HD2  LYS  12           HD2      LYS  12   5.776   7.240   0.541
  129    HD3  LYS  12           HD3      LYS  12   6.511   6.435   1.912
  130    HE2  LYS  12           HE2      LYS  12   7.337   8.736   1.825
  131    HE3  LYS  12           HE3      LYS  12   8.664   7.652   1.457
  132    HZ1  LYS  12           HZ1      LYS  12   7.484   8.175  -0.940
  133    HZ2  LYS  12           HZ2      LYS  12   7.486   9.618  -0.177
  134    HZ3  LYS  12           HZ3      LYS  12   8.886   8.805  -0.392
  135    HA   DPR  13           HA       DPR  13  10.812   1.731  -0.231
  136    HB2  DPR  13           HB2      DPR  13  11.645   0.509  -2.525
  137    HB3  DPR  13           HB3      DPR  13  11.534   2.272  -2.373
  138    HG2  DPR  13           HG2      DPR  13  10.167   1.830  -4.363
  139    HG3  DPR  13           HG3      DPR  13   9.459   0.375  -3.620
  140    HD2  DPR  13           HD2      DPR  13   7.716   1.879  -3.048
  141    HD3  DPR  13           HD3      DPR  13   8.815   3.292  -3.009
  142    HA   PRO  14           HA       PRO  14  10.936  -2.565   0.649
  143    HB2  PRO  14           HB2      PRO  14  10.768  -2.424   3.421
  144    HB3  PRO  14           HB3      PRO  14  12.160  -1.891   2.468
  145    HG2  PRO  14           HG2      PRO  14   9.885  -0.143   3.560
  146    HG3  PRO  14           HG3      PRO  14  11.634   0.137   3.707
  147    HD2  PRO  14           HD2      PRO  14  10.131   1.386   1.737
  148    HD3  PRO  14           HD3      PRO  14  11.807   0.868   1.399
  Start of MODEL   18
    1    H1   THR   1           H        THR   1   8.507  -2.471   0.365
    2    HA   THR   1           HA       THR   1   7.162  -3.390  -1.591
    3    HB   THR   1           HB       THR   1   7.114  -5.578   0.107
    4    HG1  THR   1           HG1      THR   1   5.666  -6.273  -1.568
    5   HG21  THR   1          HG2       THR   1   5.260  -4.095   1.388
    6   HG22  THR   1          HG2       THR   1   4.240  -4.651   0.040
    7   HG23  THR   1          HG2       THR   1   5.014  -5.837   1.119
    8    H    TRP   2           H        TRP   2   5.282  -2.245  -2.072
    9    HA   TRP   2           HA       TRP   2   4.849   0.028  -0.514
   10    HB2  TRP   2           HB2      TRP   2   2.738  -0.929  -2.383
   11    HB3  TRP   2           HB3      TRP   2   3.389   0.681  -2.143
   12    HD1  TRP   2           HD1      TRP   2   6.545  -0.379  -2.628
   13    HE1  TRP   2           HE1      TRP   2   7.411  -0.769  -5.091
   14    HE3  TRP   2           HE3      TRP   2   1.940  -0.820  -4.738
   15    HZ2  TRP   2           HZ2      TRP   2   6.103  -1.207  -7.588
   16    HZ3  TRP   2           HZ3      TRP   2   1.822  -1.228  -7.195
   17    HH2  TRP   2           HH2      TRP   2   3.806  -1.422  -8.610
   18    H    LEU   3           H        LEU   3   2.779  -2.919  -1.061
   19    HA   LEU   3           HA       LEU   3   1.293  -3.926   0.224
   20    HB2  LEU   3           HB2      LEU   3   3.067  -3.989   1.881
   21    HB3  LEU   3           HB3      LEU   3   2.628  -2.394   2.459
   22    HG   LEU   3           HG       LEU   3   0.654  -4.672   2.537
   23   HD11  LEU   3          HD1       LEU   3   1.671  -5.714   4.215
   24   HD12  LEU   3          HD1       LEU   3   3.112  -4.731   3.862
   25   HD13  LEU   3          HD1       LEU   3   1.943  -4.187   5.088
   26   HD21  LEU   3          HD2       LEU   3   0.486  -2.850   4.733
   27   HD22  LEU   3          HD2       LEU   3   0.560  -1.918   3.218
   28   HD23  LEU   3          HD2       LEU   3  -0.694  -3.162   3.438
   29    H    LYS   4           H        LYS   4  -0.821  -3.486  -0.049
   30    HA   LYS   4           HA       LYS   4  -1.756  -0.868   0.890
   31    HB2  LYS   4           HB2      LYS   4  -3.338  -0.951  -1.119
   32    HB3  LYS   4           HB3      LYS   4  -1.666  -0.520  -1.418
   33    HG2  LYS   4           HG2      LYS   4  -1.226  -2.457  -2.589
   34    HG3  LYS   4           HG3      LYS   4  -2.228  -3.446  -1.544
   35    HD2  LYS   4           HD2      LYS   4  -4.250  -2.174  -2.650
   36    HD3  LYS   4           HD3      LYS   4  -3.092  -1.708  -3.880
   37    HE2  LYS   4           HE2      LYS   4  -3.166  -3.767  -4.843
   38    HE3  LYS   4           HE3      LYS   4  -2.841  -4.562  -3.315
   39    HZ1  LYS   4           HZ1      LYS   4  -5.358  -3.788  -2.989
   40    HZ2  LYS   4           HZ2      LYS   4  -5.350  -4.064  -4.598
   41    HZ3  LYS   4           HZ3      LYS   4  -4.926  -5.255  -3.563
   42    H    LYS   5           H        LYS   5  -4.461  -1.160   0.498
   43    HA   LYS   5           HA       LYS   5  -5.323  -3.739   1.384
   44    HB2  LYS   5           HB2      LYS   5  -4.729  -1.632   3.352
   45    HB3  LYS   5           HB3      LYS   5  -6.355  -2.273   3.478
   46    HG2  LYS   5           HG2      LYS   5  -4.344  -4.394   3.045
   47    HG3  LYS   5           HG3      LYS   5  -4.027  -3.463   4.496
   48    HD2  LYS   5           HD2      LYS   5  -5.831  -4.338   5.590
   49    HD3  LYS   5           HD3      LYS   5  -6.890  -4.107   4.214
   50    HE2  LYS   5           HE2      LYS   5  -5.379  -6.158   3.244
   51    HE3  LYS   5           HE3      LYS   5  -5.231  -6.498   4.957
   52    HZ1  LYS   5           HZ1      LYS   5  -7.461  -6.847   3.282
   53    HZ2  LYS   5           HZ2      LYS   5  -7.219  -7.399   4.799
   54    HZ3  LYS   5           HZ3      LYS   5  -7.863  -5.918   4.563
   55    H    ARG   6           H        ARG   6  -6.821  -0.634   2.329
   56    HA   ARG   6           HA       ARG   6  -8.640  -1.000   0.087
   57    HB2  ARG   6           HB2      ARG   6  -9.597  -1.718   2.360
   58    HB3  ARG   6           HB3      ARG   6  -9.458  -0.049   2.875
   59    HG2  ARG   6           HG2      ARG   6 -11.429   0.441   1.875
   60    HG3  ARG   6           HG3      ARG   6 -10.771  -0.027   0.320
   61    HD2  ARG   6           HD2      ARG   6 -11.387  -2.397   0.741
   62    HD3  ARG   6           HD3      ARG   6 -11.971  -1.984   2.340
   63    HE   ARG   6           HE       ARG   6 -13.329  -1.458  -0.211
   64   HH11  ARG   6          HH2       ARG   6 -13.115  -0.589   3.193
   65   HH12  ARG   6          HH2       ARG   6 -14.722   0.053   3.261
   66   HH21  ARG   6          HH1       ARG   6 -15.449  -0.612  -0.121
   67   HH22  ARG   6          HH1       ARG   6 -16.059   0.040   1.364
   68    H    ARG   7           H        ARG   7  -7.954   0.713  -1.223
   69    HA   ARG   7           HA       ARG   7  -8.054   2.805  -1.888
   70    HB2  ARG   7           HB2      ARG   7  -9.470   3.099   0.476
   71    HB3  ARG   7           HB3      ARG   7  -8.106   4.157   0.775
   72    HG2  ARG   7           HG2      ARG   7  -9.775   5.526  -0.279
   73    HG3  ARG   7           HG3      ARG   7  -8.553   5.236  -1.503
   74    HD2  ARG   7           HD2      ARG   7 -10.219   3.072  -1.923
   75    HD3  ARG   7           HD3      ARG   7 -11.376   4.271  -1.378
   76    HE   ARG   7           HE       ARG   7  -9.648   5.500  -3.301
   77   HH11  ARG   7          HH2       ARG   7 -12.194   3.077  -3.127
   78   HH12  ARG   7          HH2       ARG   7 -12.724   3.331  -4.756
   79   HH21  ARG   7          HH1       ARG   7 -10.347   5.836  -5.450
   80   HH22  ARG   7          HH1       ARG   7 -11.667   4.912  -6.087
   81    H    TRP   8           H        TRP   8  -6.028   1.509   0.605
   82    HA   TRP   8           HA       TRP   8  -4.120   3.645   0.636
   83    HB2  TRP   8           HB2      TRP   8  -4.394   0.954   1.875
   84    HB3  TRP   8           HB3      TRP   8  -2.776   1.604   1.706
   85    HD1  TRP   8           HD1      TRP   8  -2.984   4.549   2.573
   86    HE1  TRP   8           HE1      TRP   8  -3.744   5.382   4.959
   87    HE3  TRP   8           HE3      TRP   8  -5.520   0.322   3.820
   88    HZ2  TRP   8           HZ2      TRP   8  -5.284   4.206   7.053
   89    HZ3  TRP   8           HZ3      TRP   8  -6.623   0.246   6.054
   90    HH2  TRP   8           HH2      TRP   8  -6.536   2.097   7.646
   91    H    LYS   9           H        LYS   9  -1.929   3.476  -0.268
   92    HA   LYS   9           HA       LYS   9  -1.178   1.365  -1.949
   93    HB2  LYS   9           HB2      LYS   9  -3.130   2.621  -3.220
   94    HB3  LYS   9           HB3      LYS   9  -1.862   3.763  -3.616
   95    HG2  LYS   9           HG2      LYS   9  -0.472   1.617  -4.286
   96    HG3  LYS   9           HG3      LYS   9  -2.031   0.817  -4.321
   97    HD2  LYS   9           HD2      LYS   9  -2.144   1.572  -6.476
   98    HD3  LYS   9           HD3      LYS   9  -2.608   3.100  -5.754
   99    HE2  LYS   9           HE2      LYS   9  -0.821   3.762  -7.125
  100    HE3  LYS   9           HE3      LYS   9  -0.009   3.540  -5.589
  101    HZ1  LYS   9           HZ1      LYS   9  -0.080   1.663  -7.840
  102    HZ2  LYS   9           HZ2      LYS   9   1.226   2.402  -7.193
  103    HZ3  LYS   9           HZ3      LYS   9   0.451   1.232  -6.357
  104    H    LYS  10           H        LYS  10   0.140   2.447   0.120
  105    HA   LYS  10           HA       LYS  10   1.628   4.725  -0.324
  106    HB2  LYS  10           HB2      LYS  10   3.300   3.443   1.235
  107    HB3  LYS  10           HB3      LYS  10   1.743   3.972   1.839
  108    HG2  LYS  10           HG2      LYS  10   1.701   1.287   0.555
  109    HG3  LYS  10           HG3      LYS  10   2.699   1.378   1.992
  110    HD2  LYS  10           HD2      LYS  10   0.185   2.786   2.450
  111    HD3  LYS  10           HD3      LYS  10  -0.142   1.167   1.865
  112    HE2  LYS  10           HE2      LYS  10   1.110   0.148   3.660
  113    HE3  LYS  10           HE3      LYS  10   1.856   1.669   4.108
  114    HZ1  LYS  10           HZ1      LYS  10   0.061   2.272   5.250
  115    HZ2  LYS  10           HZ2      LYS  10  -1.006   1.689   4.160
  116    HZ3  LYS  10           HZ3      LYS  10  -0.321   0.684   5.250
  117    H    ALA  11           H        ALA  11   4.332   4.155  -0.258
  118    HA   ALA  11           HA       ALA  11   4.987   2.392  -2.428
  119    HB1  ALA  11           HB1      ALA  11   4.842   5.383  -2.756
  120    HB2  ALA  11           HB2      ALA  11   6.125   4.477  -3.593
  121    HB3  ALA  11           HB3      ALA  11   4.417   4.093  -3.907
  122    H    LYS  12           H        LYS  12   7.516   2.889  -2.954
  123    HA   LYS  12           HA       LYS  12   9.595   3.039  -2.197
  124    HB2  LYS  12           HB2      LYS  12   8.222   4.938  -0.529
  125    HB3  LYS  12           HB3      LYS  12   9.416   4.094   0.435
  126    HG2  LYS  12           HG2      LYS  12  10.842   5.659  -0.463
  127    HG3  LYS  12           HG3      LYS  12  10.915   4.521  -1.793
  128    HD2  LYS  12           HD2      LYS  12  10.454   6.653  -2.794
  129    HD3  LYS  12           HD3      LYS  12   8.940   5.774  -2.846
  130    HE2  LYS  12           HE2      LYS  12   9.434   7.431  -0.390
  131    HE3  LYS  12           HE3      LYS  12   9.148   8.312  -1.877
  132    HZ1  LYS  12           HZ1      LYS  12   7.247   6.448  -1.960
  133    HZ2  LYS  12           HZ2      LYS  12   7.340   6.713  -0.350
  134    HZ3  LYS  12           HZ3      LYS  12   7.031   7.954  -1.366
  135    HA   DPR  13           HA       DPR  13  10.033   0.422   1.624
  136    HB2  DPR  13           HB2      DPR  13  12.685  -0.177   1.381
  137    HB3  DPR  13           HB3      DPR  13  12.114   1.421   1.888
  138    HG2  DPR  13           HG2      DPR  13  13.558   1.962  -0.022
  139    HG3  DPR  13           HG3      DPR  13  12.962   0.555  -0.938
  140    HD2  DPR  13           HD2      DPR  13  11.506   2.169  -1.888
  141    HD3  DPR  13           HD3      DPR  13  11.531   3.199  -0.423
  142    HA   PRO  14           HA       PRO  14  11.382  -3.685  -0.232
  143    HB2  PRO  14           HB2      PRO  14  10.671  -5.284   1.927
  144    HB3  PRO  14           HB3      PRO  14  12.167  -4.348   1.819
  145    HG2  PRO  14           HG2      PRO  14   9.576  -3.541   3.256
  146    HG3  PRO  14           HG3      PRO  14  11.233  -3.501   3.901
  147    HD2  PRO  14           HD2      PRO  14  10.032  -1.225   2.861
  148    HD3  PRO  14           HD3      PRO  14  11.782  -1.507   2.632
  Start of MODEL   19
    1    H1   THR   1           H        THR   1   8.253  -1.749   0.959
    2    HA   THR   1           HA       THR   1   6.778  -2.728   3.277
    3    HB   THR   1           HB       THR   1   7.972  -0.688   4.065
    4    HG1  THR   1           HG1      THR   1   5.938  -0.595   4.964
    5   HG21  THR   1          HG2       THR   1   7.403   1.511   3.055
    6   HG22  THR   1          HG2       THR   1   8.218   0.484   1.850
    7   HG23  THR   1          HG2       THR   1   6.452   0.694   1.791
    8    H    TRP   2           H        TRP   2   4.962  -0.252   2.596
    9    HA   TRP   2           HA       TRP   2   3.092   0.027   1.444
   10    HB2  TRP   2           HB2      TRP   2   3.773   0.725  -0.534
   11    HB3  TRP   2           HB3      TRP   2   5.178  -0.320  -0.487
   12    HD1  TRP   2           HD1      TRP   2   4.214  -3.140  -1.059
   13    HE1  TRP   2           HE1      TRP   2   2.886  -3.929  -3.198
   14    HE3  TRP   2           HE3      TRP   2   2.414   1.455  -2.281
   15    HZ2  TRP   2           HZ2      TRP   2   1.267  -2.574  -5.118
   16    HZ3  TRP   2           HZ3      TRP   2   0.967   1.636  -4.302
   17    HH2  TRP   2           HH2      TRP   2   0.388  -0.282  -5.701
   18    H    LEU   3           H        LEU   3   1.277  -1.187   0.220
   19    HA   LEU   3           HA       LEU   3   1.305  -3.896  -0.205
   20    HB2  LEU   3           HB2      LEU   3   1.667  -3.510   2.472
   21    HB3  LEU   3           HB3      LEU   3  -0.077  -3.660   2.383
   22    HG   LEU   3           HG       LEU   3   1.284  -5.777   2.826
   23   HD11  LEU   3          HD1       LEU   3  -1.100  -5.784   2.255
   24   HD12  LEU   3          HD1       LEU   3  -0.687  -5.794   0.524
   25   HD13  LEU   3          HD1       LEU   3  -0.248  -7.180   1.551
   26   HD21  LEU   3          HD2       LEU   3   1.632  -6.112  -0.105
   27   HD22  LEU   3          HD2       LEU   3   2.796  -5.056   0.732
   28   HD23  LEU   3          HD2       LEU   3   2.592  -6.746   1.253
   29    H    LYS   4           H        LYS   4   0.239  -2.201  -1.793
   30    HA   LYS   4           HA       LYS   4  -2.078  -0.931  -1.402
   31    HB2  LYS   4           HB2      LYS   4  -2.529  -1.212  -3.734
   32    HB3  LYS   4           HB3      LYS   4  -0.793  -1.096  -3.530
   33    HG2  LYS   4           HG2      LYS   4  -0.638  -3.032  -4.709
   34    HG3  LYS   4           HG3      LYS   4  -1.256  -3.845  -3.286
   35    HD2  LYS   4           HD2      LYS   4  -3.600  -2.902  -4.408
   36    HD3  LYS   4           HD3      LYS   4  -2.638  -3.190  -5.844
   37    HE2  LYS   4           HE2      LYS   4  -2.512  -5.368  -3.807
   38    HE3  LYS   4           HE3      LYS   4  -4.092  -5.132  -4.527
   39    HZ1  LYS   4           HZ1      LYS   4  -1.761  -6.209  -5.691
   40    HZ2  LYS   4           HZ2      LYS   4  -3.304  -6.273  -6.223
   41    HZ3  LYS   4           HZ3      LYS   4  -2.358  -5.000  -6.611
   42    H    LYS   5           H        LYS   5  -4.079  -1.386  -0.652
   43    HA   LYS   5           HA       LYS   5  -5.274  -3.925  -1.206
   44    HB2  LYS   5           HB2      LYS   5  -3.685  -3.860   1.060
   45    HB3  LYS   5           HB3      LYS   5  -5.280  -3.519   1.701
   46    HG2  LYS   5           HG2      LYS   5  -6.174  -5.572   0.960
   47    HG3  LYS   5           HG3      LYS   5  -4.981  -5.756  -0.310
   48    HD2  LYS   5           HD2      LYS   5  -3.278  -6.446   1.211
   49    HD3  LYS   5           HD3      LYS   5  -4.116  -5.781   2.600
   50    HE2  LYS   5           HE2      LYS   5  -5.397  -8.011   0.985
   51    HE3  LYS   5           HE3      LYS   5  -4.170  -8.389   2.178
   52    HZ1  LYS   5           HZ1      LYS   5  -5.670  -6.828   3.617
   53    HZ2  LYS   5           HZ2      LYS   5  -6.827  -7.324   2.576
   54    HZ3  LYS   5           HZ3      LYS   5  -6.001  -8.419   3.462
   55    H    ARG   6           H        ARG   6  -5.736  -1.630   1.550
   56    HA   ARG   6           HA       ARG   6  -8.019  -0.581   0.111
   57    HB2  ARG   6           HB2      ARG   6  -9.388  -0.718   2.229
   58    HB3  ARG   6           HB3      ARG   6  -8.971  -2.291   1.581
   59    HG2  ARG   6           HG2      ARG   6  -8.159  -2.779   3.649
   60    HG3  ARG   6           HG3      ARG   6  -6.800  -1.749   3.245
   61    HD2  ARG   6           HD2      ARG   6  -7.420  -0.230   4.817
   62    HD3  ARG   6           HD3      ARG   6  -9.006  -0.066   4.092
   63    HE   ARG   6           HE       ARG   6  -8.360  -1.596   6.459
   64   HH11  ARG   6          HH2       ARG   6 -10.477  -1.594   3.647
   65   HH12  ARG   6          HH2       ARG   6 -11.714  -2.529   4.419
   66   HH21  ARG   6          HH1       ARG   6  -9.991  -2.830   7.477
   67   HH22  ARG   6          HH1       ARG   6 -11.436  -3.237   6.612
   68    H    ARG   7           H        ARG   7  -7.364   1.557  -0.104
   69    HA   ARG   7           HA       ARG   7  -7.143   3.625   0.605
   70    HB2  ARG   7           HB2      ARG   7  -7.848   2.480   3.026
   71    HB3  ARG   7           HB3      ARG   7  -6.245   3.078   3.402
   72    HG2  ARG   7           HG2      ARG   7  -6.954   5.240   3.434
   73    HG3  ARG   7           HG3      ARG   7  -7.755   5.077   1.885
   74    HD2  ARG   7           HD2      ARG   7  -9.674   3.891   3.087
   75    HD3  ARG   7           HD3      ARG   7  -8.891   4.278   4.607
   76    HE   ARG   7           HE       ARG   7  -9.241   6.622   2.894
   77   HH11  ARG   7          HH2       ARG   7 -10.799   4.560   5.283
   78   HH12  ARG   7          HH2       ARG   7 -11.916   5.780   5.794
   79   HH21  ARG   7          HH1       ARG   7 -10.716   8.232   3.569
   80   HH22  ARG   7          HH1       ARG   7 -11.869   7.883   4.814
   81    H    TRP   8           H        TRP   8  -4.927   1.007   1.104
   82    HA   TRP   8           HA       TRP   8  -2.636   2.673   1.631
   83    HB2  TRP   8           HB2      TRP   8  -3.176  -0.249   1.365
   84    HB3  TRP   8           HB3      TRP   8  -1.542   0.319   1.083
   85    HD1  TRP   8           HD1      TRP   8  -0.863   2.239   3.332
   86    HE1  TRP   8           HE1      TRP   8  -0.930   1.701   5.915
   87    HE3  TRP   8           HE3      TRP   8  -4.091  -1.674   2.967
   88    HZ2  TRP   8           HZ2      TRP   8  -2.294  -0.258   7.480
   89    HZ3  TRP   8           HZ3      TRP   8  -4.739  -2.844   5.070
   90    HH2  TRP   8           HH2      TRP   8  -3.896  -2.194   7.271
   91    H    LYS   9           H        LYS   9  -1.454   3.684   0.059
   92    HA   LYS   9           HA       LYS   9  -1.213   2.482  -2.536
   93    HB2  LYS   9           HB2      LYS   9  -3.412   4.056  -2.269
   94    HB3  LYS   9           HB3      LYS   9  -2.228   5.261  -2.731
   95    HG2  LYS   9           HG2      LYS   9  -1.719   3.050  -4.437
   96    HG3  LYS   9           HG3      LYS   9  -3.466   3.167  -4.363
   97    HD2  LYS   9           HD2      LYS   9  -2.063   5.781  -4.676
   98    HD3  LYS   9           HD3      LYS   9  -1.866   4.683  -6.027
   99    HE2  LYS   9           HE2      LYS   9  -4.537   4.380  -5.666
  100    HE3  LYS   9           HE3      LYS   9  -4.370   5.988  -4.989
  101    HZ1  LYS   9           HZ1      LYS   9  -3.064   5.460  -7.521
  102    HZ2  LYS   9           HZ2      LYS   9  -4.690   5.610  -7.527
  103    HZ3  LYS   9           HZ3      LYS   9  -3.761   6.835  -6.978
  104    H    LYS  10           H        LYS  10   0.383   3.305  -0.098
  105    HA   LYS  10           HA       LYS  10   2.050   5.373  -1.328
  106    HB2  LYS  10           HB2      LYS  10   1.049   5.236   1.204
  107    HB3  LYS  10           HB3      LYS  10   2.612   4.479   1.437
  108    HG2  LYS  10           HG2      LYS  10   2.640   6.950  -0.243
  109    HG3  LYS  10           HG3      LYS  10   2.199   7.199   1.434
  110    HD2  LYS  10           HD2      LYS  10   4.283   5.863   2.088
  111    HD3  LYS  10           HD3      LYS  10   4.745   5.870   0.398
  112    HE2  LYS  10           HE2      LYS  10   4.040   8.577   1.211
  113    HE3  LYS  10           HE3      LYS  10   5.207   7.918   2.342
  114    HZ1  LYS  10           HZ1      LYS  10   6.616   8.578   0.757
  115    HZ2  LYS  10           HZ2      LYS  10   6.261   7.146   0.057
  116    HZ3  LYS  10           HZ3      LYS  10   5.522   8.509  -0.454
  117    H    ALA  11           H        ALA  11   3.076   4.064  -2.914
  118    HA   ALA  11           HA       ALA  11   4.388   1.652  -2.071
  119    HB1  ALA  11           HB1      ALA  11   4.887   3.054  -4.692
  120    HB2  ALA  11           HB2      ALA  11   4.762   1.312  -4.344
  121    HB3  ALA  11           HB3      ALA  11   3.295   2.319  -4.381
  122    H    LYS  12           H        LYS  12   6.639   1.325  -1.845
  123    HA   LYS  12           HA       LYS  12   8.593   3.162  -2.460
  124    HB2  LYS  12           HB2      LYS  12   9.100   4.075  -0.165
  125    HB3  LYS  12           HB3      LYS  12   7.704   4.767  -0.967
  126    HG2  LYS  12           HG2      LYS  12   6.274   3.031   0.306
  127    HG3  LYS  12           HG3      LYS  12   7.707   2.675   1.250
  128    HD2  LYS  12           HD2      LYS  12   6.946   5.572   0.976
  129    HD3  LYS  12           HD3      LYS  12   5.911   4.573   1.978
  130    HE2  LYS  12           HE2      LYS  12   8.332   3.761   2.930
  131    HE3  LYS  12           HE3      LYS  12   8.775   5.373   2.405
  132    HZ1  LYS  12           HZ1      LYS  12   6.418   4.877   4.074
  133    HZ2  LYS  12           HZ2      LYS  12   7.894   5.163   4.711
  134    HZ3  LYS  12           HZ3      LYS  12   7.164   6.302   3.795
  135    HA   DPR  13           HA       DPR  13  11.062  -0.221  -1.435
  136    HB2  DPR  13           HB2      DPR  13  10.747  -1.950  -3.524
  137    HB3  DPR  13           HB3      DPR  13  11.279  -0.274  -3.748
  138    HG2  DPR  13           HG2      DPR  13   9.336  -0.412  -5.242
  139    HG3  DPR  13           HG3      DPR  13   8.426  -1.381  -4.057
  140    HD2  DPR  13           HD2      DPR  13   7.525   0.732  -3.469
  141    HD3  DPR  13           HD3      DPR  13   8.995   1.614  -3.986
  142    HA   PRO  14           HA       PRO  14   9.984  -4.251   0.087
  143    HB2  PRO  14           HB2      PRO  14  10.961  -3.930   2.669
  144    HB3  PRO  14           HB3      PRO  14  11.969  -4.090   1.224
  145    HG2  PRO  14           HG2      PRO  14  11.142  -1.488   2.629
  146    HG3  PRO  14           HG3      PRO  14  12.776  -1.981   2.131
  147    HD2  PRO  14           HD2      PRO  14  11.233  -0.295   0.558
  148    HD3  PRO  14           HD3      PRO  14  12.316  -1.497  -0.202
  Start of MODEL   20
    1    H1   THR   1           H        THR   1   8.656  -2.272   0.941
    2    HA   THR   1           HA       THR   1   6.352  -4.087   0.664
    3    HB   THR   1           HB       THR   1   8.020  -3.095   2.981
    4    HG1  THR   1           HG1      THR   1   8.307  -5.272   2.576
    5   HG21  THR   1          HG2       THR   1   5.067  -3.899   3.100
    6   HG22  THR   1          HG2       THR   1   6.159  -3.938   4.504
    7   HG23  THR   1          HG2       THR   1   5.782  -2.389   3.714
    8    H    TRP   2           H        TRP   2   5.051  -2.817  -0.664
    9    HA   TRP   2           HA       TRP   2   4.496  -0.111   0.254
   10    HB2  TRP   2           HB2      TRP   2   2.907  -0.694  -1.967
   11    HB3  TRP   2           HB3      TRP   2   4.366   0.275  -1.911
   12    HD1  TRP   2           HD1      TRP   2   6.711  -1.666  -1.927
   13    HE1  TRP   2           HE1      TRP   2   7.210  -3.478  -3.779
   14    HE3  TRP   2           HE3      TRP   2   1.946  -1.948  -3.679
   15    HZ2  TRP   2           HZ2      TRP   2   5.592  -4.797  -5.725
   16    HZ3  TRP   2           HZ3      TRP   2   1.490  -3.523  -5.557
   17    HH2  TRP   2           HH2      TRP   2   3.220  -4.918  -6.575
   18    H    LEU   3           H        LEU   3   2.354  -2.704  -1.105
   19    HA   LEU   3           HA       LEU   3   0.541  -3.687  -0.278
   20    HB2  LEU   3           HB2      LEU   3   1.948  -3.422   1.957
   21    HB3  LEU   3           HB3      LEU   3   0.671  -2.288   2.351
   22    HG   LEU   3           HG       LEU   3  -0.332  -4.855   1.328
   23   HD11  LEU   3          HD1       LEU   3   1.076  -6.188   2.440
   24   HD12  LEU   3          HD1       LEU   3   1.736  -4.848   3.408
   25   HD13  LEU   3          HD1       LEU   3   0.222  -5.642   3.903
   26   HD21  LEU   3          HD2       LEU   3  -1.994  -4.563   2.928
   27   HD22  LEU   3          HD2       LEU   3  -0.947  -3.593   3.991
   28   HD23  LEU   3          HD2       LEU   3  -1.569  -2.896   2.475
   29    H    LYS   4           H        LYS   4  -1.743  -3.173  -0.081
   30    HA   LYS   4           HA       LYS   4  -2.275  -0.294  -0.286
   31    HB2  LYS   4           HB2      LYS   4  -2.437  -0.868  -2.517
   32    HB3  LYS   4           HB3      LYS   4  -2.992  -2.497  -2.186
   33    HG2  LYS   4           HG2      LYS   4  -5.169  -1.513  -1.315
   34    HG3  LYS   4           HG3      LYS   4  -4.609   0.069  -1.818
   35    HD2  LYS   4           HD2      LYS   4  -5.552  -0.387  -3.838
   36    HD3  LYS   4           HD3      LYS   4  -4.192  -1.457  -4.115
   37    HE2  LYS   4           HE2      LYS   4  -5.686  -3.162  -4.263
   38    HE3  LYS   4           HE3      LYS   4  -5.924  -3.009  -2.534
   39    HZ1  LYS   4           HZ1      LYS   4  -7.877  -2.730  -4.213
   40    HZ2  LYS   4           HZ2      LYS   4  -7.829  -1.863  -2.830
   41    HZ3  LYS   4           HZ3      LYS   4  -7.376  -1.176  -4.241
   42    H    LYS   5           H        LYS   5  -4.172  -3.395  -0.267
   43    HA   LYS   5           HA       LYS   5  -5.678  -4.164   1.163
   44    HB2  LYS   5           HB2      LYS   5  -3.958  -3.293   2.893
   45    HB3  LYS   5           HB3      LYS   5  -5.068  -1.959   3.130
   46    HG2  LYS   5           HG2      LYS   5  -6.437  -4.580   3.116
   47    HG3  LYS   5           HG3      LYS   5  -5.223  -4.464   4.373
   48    HD2  LYS   5           HD2      LYS   5  -6.314  -2.704   5.474
   49    HD3  LYS   5           HD3      LYS   5  -7.083  -2.119   4.011
   50    HE2  LYS   5           HE2      LYS   5  -8.357  -4.459   4.088
   51    HE3  LYS   5           HE3      LYS   5  -7.894  -4.443   5.778
   52    HZ1  LYS   5           HZ1      LYS   5  -9.982  -3.396   5.554
   53    HZ2  LYS   5           HZ2      LYS   5  -8.907  -2.217   5.903
   54    HZ3  LYS   5           HZ3      LYS   5  -9.459  -2.392   4.377
   55    H    ARG   6           H        ARG   6  -5.826  -0.585   1.780
   56    HA   ARG   6           HA       ARG   6  -8.437  -0.683   0.502
   57    HB2  ARG   6           HB2      ARG   6  -8.312  -0.460   3.149
   58    HB3  ARG   6           HB3      ARG   6  -7.865   1.202   2.814
   59    HG2  ARG   6           HG2      ARG   6 -10.053   0.844   1.129
   60    HG3  ARG   6           HG3      ARG   6 -10.493  -0.143   2.508
   61    HD2  ARG   6           HD2      ARG   6  -9.359   2.537   3.190
   62    HD3  ARG   6           HD3      ARG   6 -10.904   2.576   2.366
   63    HE   ARG   6           HE       ARG   6 -10.991   0.605   4.463
   64   HH11  ARG   6          HH2       ARG   6 -10.972   4.090   3.976
   65   HH12  ARG   6          HH2       ARG   6 -11.823   4.428   5.447
   66   HH21  ARG   6          HH1       ARG   6 -12.114   1.050   6.402
   67   HH22  ARG   6          HH1       ARG   6 -12.477   2.687   6.836
   68    H    ARG   7           H        ARG   7  -6.461  -0.040  -1.155
   69    HA   ARG   7           HA       ARG   7  -5.903   1.495  -2.591
   70    HB2  ARG   7           HB2      ARG   7  -8.048   2.814  -1.232
   71    HB3  ARG   7           HB3      ARG   7  -6.759   3.995  -1.345
   72    HG2  ARG   7           HG2      ARG   7  -7.341   2.379  -3.814
   73    HG3  ARG   7           HG3      ARG   7  -8.534   3.576  -3.352
   74    HD2  ARG   7           HD2      ARG   7  -6.186   5.021  -3.058
   75    HD3  ARG   7           HD3      ARG   7  -5.770   3.965  -4.393
   76    HE   ARG   7           HE       ARG   7  -7.681   6.159  -4.453
   77   HH11  ARG   7          HH2       ARG   7  -6.916   3.039  -5.891
   78   HH12  ARG   7          HH2       ARG   7  -7.747   3.375  -7.373
   79   HH21  ARG   7          HH1       ARG   7  -8.777   6.602  -6.409
   80   HH22  ARG   7          HH1       ARG   7  -8.812   5.415  -7.670
   81    H    TRP   8           H        TRP   8  -5.064   1.378   0.674
   82    HA   TRP   8           HA       TRP   8  -3.339   3.613   0.867
   83    HB2  TRP   8           HB2      TRP   8  -3.959   1.191   2.457
   84    HB3  TRP   8           HB3      TRP   8  -2.366   1.883   2.695
   85    HD1  TRP   8           HD1      TRP   8  -3.055   4.992   2.617
   86    HE1  TRP   8           HE1      TRP   8  -4.455   6.195   4.503
   87    HE3  TRP   8           HE3      TRP   8  -5.332   0.785   4.340
   88    HZ2  TRP   8           HZ2      TRP   8  -6.315   5.272   6.461
   89    HZ3  TRP   8           HZ3      TRP   8  -6.926   1.024   6.242
   90    HH2  TRP   8           HH2      TRP   8  -7.431   3.171   7.296
   91    H    LYS   9           H        LYS   9  -2.680   2.934  -1.582
   92    HA   LYS   9           HA       LYS   9  -0.601   0.925  -1.587
   93    HB2  LYS   9           HB2      LYS   9  -2.228   1.127  -3.449
   94    HB3  LYS   9           HB3      LYS   9  -1.614   2.729  -3.804
   95    HG2  LYS   9           HG2      LYS   9   0.649   1.794  -4.232
   96    HG3  LYS   9           HG3      LYS   9   0.086   0.190  -3.808
   97    HD2  LYS   9           HD2      LYS   9  -0.334  -0.047  -6.041
   98    HD3  LYS   9           HD3      LYS   9  -1.773   0.900  -5.723
   99    HE2  LYS   9           HE2      LYS   9  -0.876   2.849  -6.640
  100    HE3  LYS   9           HE3      LYS   9   0.768   2.435  -6.199
  101    HZ1  LYS   9           HZ1      LYS   9  -0.802   1.269  -8.389
  102    HZ2  LYS   9           HZ2      LYS   9   0.534   2.200  -8.517
  103    HZ3  LYS   9           HZ3      LYS   9   0.649   0.687  -7.915
  104    H    LYS  10           H        LYS  10   0.416   2.379   0.243
  105    HA   LYS  10           HA       LYS  10   1.719   4.738  -0.701
  106    HB2  LYS  10           HB2      LYS  10   0.957   4.454   1.633
  107    HB3  LYS  10           HB3      LYS  10   2.101   3.146   1.852
  108    HG2  LYS  10           HG2      LYS  10   3.957   4.782   1.181
  109    HG3  LYS  10           HG3      LYS  10   2.759   6.059   1.229
  110    HD2  LYS  10           HD2      LYS  10   3.501   6.224   3.413
  111    HD3  LYS  10           HD3      LYS  10   2.261   5.011   3.662
  112    HE2  LYS  10           HE2      LYS  10   5.054   4.116   2.910
  113    HE3  LYS  10           HE3      LYS  10   4.739   4.615   4.560
  114    HZ1  LYS  10           HZ1      LYS  10   4.027   2.545   4.800
  115    HZ2  LYS  10           HZ2      LYS  10   2.669   3.004   4.018
  116    HZ3  LYS  10           HZ3      LYS  10   3.876   2.271   3.198
  117    H    ALA  11           H        ALA  11   3.176   4.463  -2.341
  118    HA   ALA  11           HA       ALA  11   4.812   2.136  -2.479
  119    HB1  ALA  11           HB1      ALA  11   4.058   3.273  -4.495
  120    HB2  ALA  11           HB2      ALA  11   4.826   4.790  -3.971
  121    HB3  ALA  11           HB3      ALA  11   5.832   3.385  -4.398
  122    H    LYS  12           H        LYS  12   6.051   1.958  -0.578
  123    HA   LYS  12           HA       LYS  12   8.245   3.860  -0.461
  124    HB2  LYS  12           HB2      LYS  12   6.457   4.673   1.107
  125    HB3  LYS  12           HB3      LYS  12   6.618   3.176   2.003
  126    HG2  LYS  12           HG2      LYS  12   9.176   3.751   2.108
  127    HG3  LYS  12           HG3      LYS  12   8.693   5.365   1.625
  128    HD2  LYS  12           HD2      LYS  12   7.179   4.107   3.903
  129    HD3  LYS  12           HD3      LYS  12   8.828   4.606   4.221
  130    HE2  LYS  12           HE2      LYS  12   7.952   6.838   2.922
  131    HE3  LYS  12           HE3      LYS  12   6.425   6.286   3.581
  132    HZ1  LYS  12           HZ1      LYS  12   8.131   7.736   4.943
  133    HZ2  LYS  12           HZ2      LYS  12   7.108   6.686   5.662
  134    HZ3  LYS  12           HZ3      LYS  12   8.661   6.260   5.395
  135    HA   DPR  13           HA       DPR  13  10.841   0.590   0.707
  136    HB2  DPR  13           HB2      DPR  13  12.166   0.162  -1.642
  137    HB3  DPR  13           HB3      DPR  13  12.213   1.717  -0.794
  138    HG2  DPR  13           HG2      DPR  13  11.447   2.364  -3.035
  139    HG3  DPR  13           HG3      DPR  13  10.395   0.931  -3.147
  140    HD2  DPR  13           HD2      DPR  13   8.740   2.457  -2.400
  141    HD3  DPR  13           HD3      DPR  13   9.929   3.474  -1.529
  142    HA   PRO  14           HA       PRO  14  10.316  -3.478  -1.493
  143    HB2  PRO  14           HB2      PRO  14  11.374  -5.060   0.534
  144    HB3  PRO  14           HB3      PRO  14  12.336  -4.126  -0.619
  145    HG2  PRO  14           HG2      PRO  14  11.554  -3.304   2.232
  146    HG3  PRO  14           HG3      PRO  14  13.171  -3.262   1.497
  147    HD2  PRO  14           HD2      PRO  14  11.578  -0.992   1.617
  148    HD3  PRO  14           HD3      PRO  14  12.635  -1.278   0.205