*HEADER    ANTIMICROBIAL PROTEIN                   26-JUN-19   6KBO              
*TITLE     THREE-DIMENSIONAL LPS BOUND STRUCTURE OF VG16KRKP-KYE28.              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VG16KRKP;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: HEPARIN COFACTOR 2;                                        
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 FRAGMENT: HELIX-D;                                                   
*COMPND   9 SYNONYM: KYE28;                                                      
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: DENGUE VIRUS;                                   
*SOURCE   4 ORGANISM_TAXID: 12637;                                               
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   8 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   9 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ANTIMICROBIAL PEPTIDE, NUCLEAR MAGNETIC SPECTROSCOPY, PEPTIDE         
*KEYWDS   2 SYNERGISM, LIPOPOLYSACCHARIDE (LPS), BACTERIAL MEMBRANE,             
*KEYWDS   3 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    H.ILYAS,A.BHUNIA                                                      
*REVDAT   1   14-AUG-19 6KBO    0                                                
# Restraints file 1: KRKP_KYE28.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   
   2 ALA A  PHI  -120   -30
   2 ALA A  PSI  -120   120
   3 ARG A  PHI  -120   -30
   3 ARG A  PSI  -120   120
   4 GLY A  PHI  -120   -30
   4 GLY A  PSI  -120   120
   5 TRP A  PHI  -120   -30
   5 TRP A  PSI  -120   120
   6 LYS A  PHI  -120   -30
   6 LYS A  PSI  -120   120
   7 ARG A  PHI  -120   -30
   7 ARG A  PSI  -120   120
   8 LYS A  PHI  -120   -30
   8 LYS A  PSI  -120   120
   9 CYS A  PHI  -120   -30
   9 CYS A  PSI  -120   120
  11 LEU A  PHI  -120   -30
  11 LEU A  PSI  -120   120
  12 PHE A  PHI  -120   -30
  12 PHE A  PSI  -120   120
  13 GLY A  PHI  -120   -30
  13 GLY A  PSI  -120   120
  14 LYS A  PHI  -120   -30
  14 LYS A  PSI  -120   120
  15 GLY A  PHI  -120   -30
  15 GLY A  PSI  -120   120
  16 GLY A  PHI  -120   -30
  16 GLY A  PSI  -120   120
   1 LYS B  PHI  -120   -30
   1 LYS B  PSI  -120   120
   2 TYR B  PHI  -120   -30
   2 TYR B  PSI  -120   120
   3 GLU B  PHI  -120   -30
   3 GLU B  PSI  -120   120
   4 ILE B  PHI  -120   -30
   4 ILE B  PSI  -120   120
   5 THR B  PHI  -120   -30
   5 THR B  PSI  -120   120
   6 THR B  PHI  -120   -30
   6 THR B  PSI  -120   120
   7 ILE B  PHI  -120   -30
   7 ILE B  PSI  -120   120
   8 HIS B  PHI  -120   -30
   8 HIS B  PSI  -120   120
   9 ASN B  PHI  -120   -30
   9 ASN B  PSI  -120   120
  10 LEU B  PHI  -120   -30
  10 LEU B  PSI  -120   120
  11 PHE B  PHI  -120   -30
  11 PHE B  PSI  -120   120
  12 ARG B  PHI  -120   -30
  12 ARG B  PSI  -120   120
  13 LYS B  PHI  -120   -30
  13 LYS B  PSI  -120   120
  14 LEU B  PHI  -120   -30
  14 LEU B  PSI  -120   120
  15 THR B  PHI  -120   -30
  15 THR B  PSI  -120   120
  16 HIS B  PHI  -120   -30
  16 HIS B  PSI  -120   120
  17 ARG B  PHI  -120   -30
  17 ARG B  PSI  -120   120
  18 LEU B  PHI  -120   -30
  18 LEU B  PSI  -120   120
  19 PHE B  PHI  -120   -30
  19 PHE B  PSI  -120   120
  20 ARG B  PHI  -120   -30
  20 ARG B  PSI  -120   120
  21 ARG B  PHI  -120   -30
  21 ARG B  PSI  -120   120
  22 ASN B  PHI  -120   -30
  22 ASN B  PSI  -120   120
  23 PHE B  PHI  -120   -30
  23 PHE B  PSI  -120   120
  24 GLY B  PHI  -120   -30
  24 GLY B  PSI  -120   120
  25 TYR B  PHI  -120   -30
  25 TYR B  PSI  -120   120
  26 THR B  PHI  -120   -30
  26 THR B  PSI  -120   120
  27 LEU B  PHI  -120   -30
  27 LEU B  PSI  -120   120
  28 ARG B  PHI  -120   -30
  28 ARG B  PSI  -120   120
# Restraints file 2: KRKP_KYE28.seq
VAL A
ALA A
ARG A
GLY A
TRP A
LYS A
ARG A
LYS A
CYS A
PRO A
LEU A
PHE A
GLY A
LYS A
GLY A
GLY A
LYS B
TYR B
GLU B
ILE B
THR B
THR B
ILE B
HIS B
ASN B
LEU B
PHE B
ARG B
LYS B
LEU B
THR B
HIS B
ARG B
LEU B
PHE B
ARG B
ARG B
ASN B
PHE B
GLY B
TYR B
THR B
LEU B
ARG B
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   1.807   0.001   0.856
    2    HA   VAL   1           HA       VAL   1   1.974  -0.970  -1.706
    3    HB   VAL   1           HB       VAL   1   2.186   1.036  -3.112
    4   HG11  VAL   1          HG11      VAL   1   0.029   0.891  -3.683
    5   HG12  VAL   1          HG12      VAL   1  -0.125  -0.218  -2.319
    6   HG13  VAL   1          HG13      VAL   1  -0.516   1.490  -2.116
    7   HG21  VAL   1          HG21      VAL   1   1.463   2.410  -0.556
    8   HG22  VAL   1          HG22      VAL   1   2.726   2.808  -1.722
    9   HG23  VAL   1          HG23      VAL   1   1.036   3.137  -2.105
   10    H    ALA   2           H        ALA   2   4.073  -1.185  -2.288
   11    HA   ALA   2           HA       ALA   2   6.052   0.339  -0.721
   12    HB1  ALA   2           HB1      ALA   2   5.769  -2.238  -0.428
   13    HB2  ALA   2           HB2      ALA   2   6.696  -2.314  -1.927
   14    HB3  ALA   2           HB3      ALA   2   7.381  -1.528  -0.505
   15    H    ARG   3           H        ARG   3   5.572   1.844  -2.657
   16    HA   ARG   3           HA       ARG   3   7.442   1.172  -4.834
   17    HB2  ARG   3           HB2      ARG   3   5.543   3.236  -5.547
   18    HB3  ARG   3           HB3      ARG   3   5.914   1.727  -6.370
   19    HG2  ARG   3           HG2      ARG   3   4.383   0.546  -4.852
   20    HG3  ARG   3           HG3      ARG   3   3.980   2.086  -4.091
   21    HD2  ARG   3           HD2      ARG   3   3.545   2.697  -6.681
   22    HD3  ARG   3           HD3      ARG   3   3.154   0.978  -6.695
   23    HE   ARG   3           HE       ARG   3   1.281   1.418  -5.438
   24   HH11  ARG   3          HH11      ARG   3   3.340   4.224  -5.496
   25   HH12  ARG   3          HH12      ARG   3   2.161   5.265  -4.769
   26   HH21  ARG   3          HH21      ARG   3  -0.279   2.778  -4.479
   27   HH22  ARG   3          HH22      ARG   3   0.104   4.441  -4.190
   28    H    GLY   4           H        GLY   4   6.976   3.081  -2.182
   29    HA2  GLY   4           HA2      GLY   4   8.337   5.420  -3.325
   30    HA3  GLY   4           HA3      GLY   4   7.534   5.361  -1.763
   31    H    TRP   5           H        TRP   5   9.203   2.562  -1.945
   32    HA   TRP   5           HA       TRP   5  11.578   3.752  -0.667
   33    HB2  TRP   5           HB2      TRP   5   9.934   1.350   0.028
   34    HB3  TRP   5           HB3      TRP   5  11.650   1.355   0.425
   35    HD1  TRP   5           HD1      TRP   5  10.334   4.789   0.723
   36    HE1  TRP   5           HE1      TRP   5   9.892   5.379   3.189
   37    HE3  TRP   5           HE3      TRP   5  10.674   0.108   2.751
   38    HZ2  TRP   5           HZ2      TRP   5   9.711   4.038   5.666
   39    HZ3  TRP   5           HZ3      TRP   5  10.354  -0.152   5.177
   40    HH2  TRP   5           HH2      TRP   5   9.883   1.774   6.603
   41    H    LYS   6           H        LYS   6  10.467   1.989  -3.291
   42    HA   LYS   6           HA       LYS   6  13.163   0.908  -3.794
   43    HB2  LYS   6           HB2      LYS   6  12.054  -0.812  -5.214
   44    HB3  LYS   6           HB3      LYS   6  11.637  -0.932  -3.509
   45    HG2  LYS   6           HG2      LYS   6   9.542  -1.095  -4.277
   46    HG3  LYS   6           HG3      LYS   6   9.643   0.663  -4.405
   47    HD2  LYS   6           HD2      LYS   6   8.966   0.208  -6.527
   48    HD3  LYS   6           HD3      LYS   6  10.705   0.025  -6.765
   49    HE2  LYS   6           HE2      LYS   6  10.519  -2.375  -6.491
   50    HE3  LYS   6           HE3      LYS   6   8.799  -2.227  -6.136
   51    HZ1  LYS   6           HZ1      LYS   6   8.362  -1.534  -8.340
   52    HZ2  LYS   6           HZ2      LYS   6   9.351  -2.900  -8.460
   53    HZ3  LYS   6           HZ3      LYS   6  10.005  -1.359  -8.701
   54    H    ARG   7           H        ARG   7  10.243   2.252  -5.295
   55    HA   ARG   7           HA       ARG   7  11.465   2.629  -7.848
   56    HB2  ARG   7           HB2      ARG   7   8.919   2.497  -7.115
   57    HB3  ARG   7           HB3      ARG   7   9.102   4.242  -7.007
   58    HG2  ARG   7           HG2      ARG   7   8.256   3.762  -9.163
   59    HG3  ARG   7           HG3      ARG   7   9.953   4.203  -9.365
   60    HD2  ARG   7           HD2      ARG   7   9.895   1.423  -8.946
   61    HD3  ARG   7           HD3      ARG   7   8.605   1.779 -10.094
   62    HE   ARG   7           HE       ARG   7  11.031   3.098 -10.789
   63   HH11  ARG   7          HH11      ARG   7   9.391   0.029 -10.894
   64   HH12  ARG   7          HH12      ARG   7  10.261  -0.536 -12.281
   65   HH21  ARG   7          HH21      ARG   7  12.183   2.366 -12.616
   66   HH22  ARG   7          HH22      ARG   7  11.850   0.794 -13.260
   67    H    LYS   8           H        LYS   8  10.594   4.836  -5.196
   68    HA   LYS   8           HA       LYS   8  11.553   7.192  -6.351
   69    HB2  LYS   8           HB2      LYS   8  10.954   6.282  -3.584
   70    HB3  LYS   8           HB3      LYS   8  11.935   7.731  -3.757
   71    HG2  LYS   8           HG2      LYS   8   9.537   8.216  -3.512
   72    HG3  LYS   8           HG3      LYS   8  10.203   8.811  -5.034
   73    HD2  LYS   8           HD2      LYS   8   8.965   7.388  -6.283
   74    HD3  LYS   8           HD3      LYS   8   9.077   6.084  -5.099
   75    HE2  LYS   8           HE2      LYS   8   6.954   6.542  -4.592
   76    HE3  LYS   8           HE3      LYS   8   7.564   8.001  -3.811
   77    HZ1  LYS   8           HZ1      LYS   8   6.939   9.310  -5.559
   78    HZ2  LYS   8           HZ2      LYS   8   5.720   8.139  -5.628
   79    HZ3  LYS   8           HZ3      LYS   8   7.030   8.060  -6.696
   80    H    CYS   9           H        CYS   9  13.170   5.714  -3.560
   81    HA   CYS   9           HA       CYS   9  15.747   6.209  -4.901
   82    HB2  CYS   9           HB2      CYS   9  14.962   6.605  -2.016
   83    HB3  CYS   9           HB3      CYS   9  16.642   6.504  -2.528
   84    HG   CYS   9           HG       CYS   9  16.889   8.942  -3.315
   85    HA   PRO  10           HA       PRO  10  16.198   1.813  -4.387
   86    HB2  PRO  10           HB2      PRO  10  18.705   1.662  -5.418
   87    HB3  PRO  10           HB3      PRO  10  17.262   1.844  -6.423
   88    HG2  PRO  10           HG2      PRO  10  19.215   3.924  -5.518
   89    HG3  PRO  10           HG3      PRO  10  18.475   3.703  -7.114
   90    HD2  PRO  10           HD2      PRO  10  17.589   5.548  -5.341
   91    HD3  PRO  10           HD3      PRO  10  16.507   4.725  -6.483
   92    H    LEU  11           H        LEU  11  16.701   3.588  -2.122
   93    HA   LEU  11           HA       LEU  11  19.242   2.678  -1.032
   94    HB2  LEU  11           HB2      LEU  11  17.113   4.459   0.143
   95    HB3  LEU  11           HB3      LEU  11  18.675   4.114   0.881
   96    HG   LEU  11           HG       LEU  11  18.465   5.415  -1.817
   97   HD11  LEU  11          HD11      LEU  11  17.553   7.209  -0.875
   98   HD12  LEU  11          HD12      LEU  11  19.060   7.406   0.018
   99   HD13  LEU  11          HD13      LEU  11  17.714   6.528   0.745
  100   HD21  LEU  11          HD21      LEU  11  20.579   4.883   0.191
  101   HD22  LEU  11          HD22      LEU  11  20.665   6.405  -0.696
  102   HD23  LEU  11          HD23      LEU  11  20.658   4.873  -1.571
  103    H    PHE  12           H        PHE  12  15.797   2.541  -0.133
  104    HA   PHE  12           HA       PHE  12  16.317   0.554   1.898
  105    HB2  PHE  12           HB2      PHE  12  14.490   2.423   1.882
  106    HB3  PHE  12           HB3      PHE  12  13.571   1.266   0.927
  107    HD1  PHE  12           HD1      PHE  12  14.733   2.176   4.214
  108    HD2  PHE  12           HD2      PHE  12  12.994  -0.947   1.905
  109    HE1  PHE  12           HE1      PHE  12  14.009   1.055   6.282
  110    HE2  PHE  12           HE2      PHE  12  12.266  -2.073   3.968
  111    HZ   PHE  12           HZ       PHE  12  12.773  -1.071   6.160
  112    H    GLY  13           H        GLY  13  15.738   0.548  -1.436
  113    HA2  GLY  13           HA2      GLY  13  14.683  -2.200  -1.376
  114    HA3  GLY  13           HA3      GLY  13  14.618  -1.116  -2.757
  115    H    LYS  14           H        LYS  14  16.502  -0.781  -4.008
  116    HA   LYS  14           HA       LYS  14  17.996  -3.014  -4.599
  117    HB2  LYS  14           HB2      LYS  14  17.727  -0.752  -5.864
  118    HB3  LYS  14           HB3      LYS  14  19.166  -0.276  -4.971
  119    HG2  LYS  14           HG2      LYS  14  20.416  -1.264  -6.502
  120    HG3  LYS  14           HG3      LYS  14  19.691  -2.816  -6.076
  121    HD2  LYS  14           HD2      LYS  14  18.750  -2.888  -8.088
  122    HD3  LYS  14           HD3      LYS  14  17.807  -1.455  -7.670
  123    HE2  LYS  14           HE2      LYS  14  19.924  -0.145  -8.345
  124    HE3  LYS  14           HE3      LYS  14  20.414  -1.640  -9.140
  125    HZ1  LYS  14           HZ1      LYS  14  19.208  -0.024 -10.582
  126    HZ2  LYS  14           HZ2      LYS  14  17.821  -0.296  -9.654
  127    HZ3  LYS  14           HZ3      LYS  14  18.514  -1.566 -10.531
  128    H    GLY  15           H        GLY  15  18.989  -0.245  -2.588
  129    HA2  GLY  15           HA2      GLY  15  21.518  -1.364  -1.907
  130    HA3  GLY  15           HA3      GLY  15  20.736  -0.007  -1.109
  131    H    GLY  16           H        GLY  16  18.336  -1.447  -0.395
  132    HA2  GLY  16           HA2      GLY  16  19.048  -2.382   2.131
  133    HA3  GLY  16           HA3      GLY  16  17.520  -2.719   1.331
  134    H1   LYS   1           H        LYS   1  18.250   4.680   4.413
  135    HA   LYS   1           HA       LYS   1  16.796   6.993   5.460
  136    HB2  LYS   1           HB2      LYS   1  18.163   6.351   2.888
  137    HB3  LYS   1           HB3      LYS   1  16.829   7.497   2.851
  138    HG2  LYS   1           HG2      LYS   1  17.947   8.980   4.324
  139    HG3  LYS   1           HG3      LYS   1  19.185   7.778   4.698
  140    HD2  LYS   1           HD2      LYS   1  19.063   8.203   1.863
  141    HD3  LYS   1           HD3      LYS   1  19.242   9.751   2.693
  142    HE2  LYS   1           HE2      LYS   1  20.974   7.339   3.215
  143    HE3  LYS   1           HE3      LYS   1  21.397   8.634   2.095
  144    HZ1  LYS   1           HZ1      LYS   1  20.654   9.692   4.618
  145    HZ2  LYS   1           HZ2      LYS   1  22.106   9.875   3.770
  146    HZ3  LYS   1           HZ3      LYS   1  21.892   8.554   4.805
  147    H    TYR   2           H        TYR   2  14.767   6.318   5.961
  148    HA   TYR   2           HA       TYR   2  13.202   5.099   3.781
  149    HB2  TYR   2           HB2      TYR   2  11.801   4.543   6.099
  150    HB3  TYR   2           HB3      TYR   2  12.832   3.417   5.222
  151    HD1  TYR   2           HD1      TYR   2  12.581   5.618   8.144
  152    HD2  TYR   2           HD2      TYR   2  15.031   2.837   6.055
  153    HE1  TYR   2           HE1      TYR   2  14.037   5.427  10.118
  154    HE2  TYR   2           HE2      TYR   2  16.493   2.638   8.023
  155    HH   TYR   2           HH       TYR   2  17.035   3.597  10.018
  156    H    GLU   3           H        GLU   3  12.833   7.027   6.760
  157    HA   GLU   3           HA       GLU   3  10.312   8.056   6.258
  158    HB2  GLU   3           HB2      GLU   3  10.960   9.924   7.758
  159    HB3  GLU   3           HB3      GLU   3  11.367   8.343   8.409
  160    HG2  GLU   3           HG2      GLU   3  13.672   8.926   7.168
  161    HG3  GLU   3           HG3      GLU   3  13.118  10.553   7.559
  162    H    ILE   4           H        ILE   4  13.471   9.346   5.289
  163    HA   ILE   4           HA       ILE   4  12.381  11.635   3.975
  164    HB   ILE   4           HB       ILE   4  14.582  12.103   3.216
  165   HG12  ILE   4          HG12      ILE   4  16.307  10.113   3.886
  166   HG13  ILE   4          HG13      ILE   4  14.896   9.172   3.416
  167   HG21  ILE   4          HG21      ILE   4  14.676  10.786   5.925
  168   HG22  ILE   4          HG22      ILE   4  15.924  11.856   5.289
  169   HG23  ILE   4          HG23      ILE   4  14.297  12.472   5.574
  170   HD11  ILE   4          HD11      ILE   4  16.792   9.988   1.706
  171   HD12  ILE   4          HD12      ILE   4  15.116   9.691   1.242
  172   HD13  ILE   4          HD13      ILE   4  15.661  11.335   1.576
  173    H    THR   5           H        THR   5  12.113   8.481   3.206
  174    HA   THR   5           HA       THR   5  12.363   8.891   0.309
  175    HB   THR   5           HB       THR   5  11.632   6.201   1.235
  176    HG1  THR   5           HG1      THR   5  13.996   7.486   2.117
  177   HG21  THR   5          HG21      THR   5  13.153   7.500  -0.870
  178   HG22  THR   5          HG22      THR   5  12.389   5.911  -0.850
  179   HG23  THR   5          HG23      THR   5  14.010   6.119  -0.189
  180    H    THR   6           H        THR   6  10.074   8.366   2.856
  181    HA   THR   6           HA       THR   6   7.906   8.220   0.863
  182    HB   THR   6           HB       THR   6   7.871   6.189   2.117
  183    HG1  THR   6           HG1      THR   6   5.925   7.649   3.522
  184   HG21  THR   6          HG21      THR   6   9.255   6.981   4.013
  185   HG22  THR   6          HG22      THR   6   7.823   6.095   4.538
  186   HG23  THR   6          HG23      THR   6   7.856   7.855   4.635
  187    H    ILE   7           H        ILE   7   9.395  10.228   3.014
  188    HA   ILE   7           HA       ILE   7   6.920  11.766   3.462
  189    HB   ILE   7           HB       ILE   7   9.358  11.883   5.232
  190   HG12  ILE   7          HG12      ILE   7   8.355   9.630   5.322
  191   HG13  ILE   7          HG13      ILE   7   8.130  10.505   6.833
  192   HG21  ILE   7          HG21      ILE   7   7.557  12.826   6.808
  193   HG22  ILE   7          HG22      ILE   7   8.156  13.856   5.509
  194   HG23  ILE   7          HG23      ILE   7   6.599  13.045   5.343
  195   HD11  ILE   7          HD11      ILE   7   6.184   9.258   5.239
  196   HD12  ILE   7          HD12      ILE   7   5.946  10.210   6.705
  197   HD13  ILE   7          HD13      ILE   7   5.899  10.995   5.126
  198    H    HIS   8           H        HIS   8   9.704  11.664   1.733
  199    HA   HIS   8           HA       HIS   8   9.924  14.601   1.626
  200    HB2  HIS   8           HB2      HIS   8  11.937  12.843   2.207
  201    HB3  HIS   8           HB3      HIS   8  12.137  13.046   0.469
  202    HD1  HIS   8           HD1      HIS   8  12.412  15.620  -0.331
  203    HD2  HIS   8           HD2      HIS   8  12.991  14.852   3.710
  204    HE1  HIS   8           HE1      HIS   8  13.647  17.619   0.563
  205    H    ASN   9           H        ASN   9   9.070  11.785  -0.060
  206    HA   ASN   9           HA       ASN   9   9.652  12.672  -2.710
  207    HB2  ASN   9           HB2      ASN   9   9.435  10.363  -2.586
  208    HB3  ASN   9           HB3      ASN   9   8.035  10.448  -1.520
  209   HD21  ASN   9          HD21      ASN   9   6.252   9.791  -2.450
  210   HD22  ASN   9          HD22      ASN   9   5.830   9.987  -4.114
  211    H    LEU  10           H        LEU  10   6.525  12.228  -1.045
  212    HA   LEU  10           HA       LEU  10   5.493  14.513  -2.591
  213    HB2  LEU  10           HB2      LEU  10   3.494  13.443  -3.024
  214    HB3  LEU  10           HB3      LEU  10   4.677  12.150  -3.215
  215    HG   LEU  10           HG       LEU  10   3.952  11.906  -0.580
  216   HD11  LEU  10          HD11      LEU  10   2.110  13.632  -1.322
  217   HD12  LEU  10          HD12      LEU  10   1.724  12.287  -0.250
  218   HD13  LEU  10          HD13      LEU  10   1.337  12.184  -1.968
  219   HD21  LEU  10          HD21      LEU  10   4.086  10.311  -2.718
  220   HD22  LEU  10          HD22      LEU  10   2.333  10.431  -2.570
  221   HD23  LEU  10          HD23      LEU  10   3.294   9.833  -1.217
  222    H    PHE  11           H        PHE  11   6.235  13.360   0.416
  223    HA   PHE  11           HA       PHE  11   4.155  14.977   1.728
  224    HB2  PHE  11           HB2      PHE  11   5.373  12.414   2.372
  225    HB3  PHE  11           HB3      PHE  11   5.471  13.544   3.718
  226    HD1  PHE  11           HD1      PHE  11   3.940  12.569   5.206
  227    HD2  PHE  11           HD2      PHE  11   2.777  13.375   1.191
  228    HE1  PHE  11           HE1      PHE  11   1.601  12.078   5.788
  229    HE2  PHE  11           HE2      PHE  11   0.436  12.886   1.767
  230    HZ   PHE  11           HZ       PHE  11  -0.155  12.237   4.068
  231    H    ARG  12           H        ARG  12   6.779  15.802   0.474
  232    HA   ARG  12           HA       ARG  12   8.730  16.450   2.300
  233    HB2  ARG  12           HB2      ARG  12   9.198  18.433   0.823
  234    HB3  ARG  12           HB3      ARG  12   9.107  16.888  -0.013
  235    HG2  ARG  12           HG2      ARG  12   6.749  17.442  -0.618
  236    HG3  ARG  12           HG3      ARG  12   7.017  19.049   0.059
  237    HD2  ARG  12           HD2      ARG  12   7.354  19.167  -2.308
  238    HD3  ARG  12           HD3      ARG  12   8.922  19.326  -1.518
  239    HE   ARG  12           HE       ARG  12   8.697  16.660  -2.057
  240   HH11  ARG  12          HH11      ARG  12   8.519  19.579  -3.947
  241   HH12  ARG  12          HH12      ARG  12   9.122  18.835  -5.391
  242   HH21  ARG  12          HH21      ARG  12   9.492  15.670  -3.952
  243   HH22  ARG  12          HH22      ARG  12   9.675  16.612  -5.393
  244    H    LYS  13           H        LYS  13   5.623  17.986   1.782
  245    HA   LYS  13           HA       LYS  13   6.191  19.781   4.050
  246    HB2  LYS  13           HB2      LYS  13   5.546  20.546   1.488
  247    HB3  LYS  13           HB3      LYS  13   3.982  20.573   2.293
  248    HG2  LYS  13           HG2      LYS  13   4.564  22.290   3.677
  249    HG3  LYS  13           HG3      LYS  13   6.280  21.879   3.648
  250    HD2  LYS  13           HD2      LYS  13   5.199  22.672   1.045
  251    HD3  LYS  13           HD3      LYS  13   5.125  23.941   2.270
  252    HE2  LYS  13           HE2      LYS  13   7.617  23.095   2.702
  253    HE3  LYS  13           HE3      LYS  13   7.472  22.645   1.004
  254    HZ1  LYS  13           HZ1      LYS  13   6.486  25.133   0.986
  255    HZ2  LYS  13           HZ2      LYS  13   8.102  24.753   0.663
  256    HZ3  LYS  13           HZ3      LYS  13   7.648  25.268   2.209
  257    H    LEU  14           H        LEU  14   5.041  17.021   3.940
  258    HA   LEU  14           HA       LEU  14   2.473  17.629   5.251
  259    HB2  LEU  14           HB2      LEU  14   3.211  15.542   3.278
  260    HB3  LEU  14           HB3      LEU  14   2.098  15.082   4.565
  261    HG   LEU  14           HG       LEU  14   0.975  15.747   2.458
  262   HD11  LEU  14          HD11      LEU  14  -0.725  16.251   3.784
  263   HD12  LEU  14          HD12      LEU  14  -0.075  17.872   4.028
  264   HD13  LEU  14          HD13      LEU  14   0.399  16.561   5.107
  265   HD21  LEU  14          HD21      LEU  14   1.613  18.597   3.019
  266   HD22  LEU  14          HD22      LEU  14   1.165  17.814   1.503
  267   HD23  LEU  14          HD23      LEU  14   2.798  17.627   2.145
  268    H    THR  15           H        THR  15   2.419  17.135   7.334
  269    HA   THR  15           HA       THR  15   4.362  16.323   8.960
  270    HB   THR  15           HB       THR  15   2.002  14.869   9.785
  271    HG1  THR  15           HG1      THR  15   0.624  16.126   8.738
  272   HG21  THR  15          HG21      THR  15   3.307  17.414  10.759
  273   HG22  THR  15          HG22      THR  15   3.649  15.779  11.326
  274   HG23  THR  15          HG23      THR  15   2.072  16.506  11.630
  275    H    HIS  16           H        HIS  16   5.690  14.648   9.119
  276    HA   HIS  16           HA       HIS  16   5.732  12.438   7.499
  277    HB2  HIS  16           HB2      HIS  16   7.161  11.372   9.290
  278    HB3  HIS  16           HB3      HIS  16   7.677  12.975   8.773
  279    HD1  HIS  16           HD1      HIS  16   7.200  14.955  10.459
  280    HD2  HIS  16           HD2      HIS  16   6.521  11.140  11.959
  281    HE1  HIS  16           HE1      HIS  16   7.062  15.229  12.955
  282    H    ARG  17           H        ARG  17   3.866  11.308   7.214
  283    HA   ARG  17           HA       ARG  17   2.829   9.880   9.574
  284    HB2  ARG  17           HB2      ARG  17   1.446  11.621   7.772
  285    HB3  ARG  17           HB3      ARG  17   0.815   9.991   7.579
  286    HG2  ARG  17           HG2      ARG  17  -0.339  10.155   9.459
  287    HG3  ARG  17           HG3      ARG  17   1.107  10.606  10.365
  288    HD2  ARG  17           HD2      ARG  17   0.673  12.925   9.143
  289    HD3  ARG  17           HD3      ARG  17  -0.982  12.316   9.129
  290    HE   ARG  17           HE       ARG  17  -0.045  11.980  11.708
  291   HH11  ARG  17          HH11      ARG  17  -0.606  14.621   9.510
  292   HH12  ARG  17          HH12      ARG  17  -0.943  15.766  10.766
  293   HH21  ARG  17          HH21      ARG  17  -0.487  13.477  13.371
  294   HH22  ARG  17          HH22      ARG  17  -0.874  15.114  12.962
  295    H    LEU  18           H        LEU  18   3.035   9.787   6.020
  296    HA   LEU  18           HA       LEU  18   2.366   7.106   5.672
  297    HB2  LEU  18           HB2      LEU  18   4.312   8.709   4.022
  298    HB3  LEU  18           HB3      LEU  18   3.443   7.264   3.510
  299    HG   LEU  18           HG       LEU  18   1.988   9.770   4.298
  300   HD11  LEU  18          HD11      LEU  18   3.102   9.063   1.588
  301   HD12  LEU  18          HD12      LEU  18   3.521  10.461   2.578
  302   HD13  LEU  18          HD13      LEU  18   1.904  10.323   1.888
  303   HD21  LEU  18          HD21      LEU  18   0.668   7.743   4.159
  304   HD22  LEU  18          HD22      LEU  18   1.301   7.411   2.546
  305   HD23  LEU  18          HD23      LEU  18   0.269   8.816   2.817
  306    H    PHE  19           H        PHE  19   5.113   8.457   7.119
  307    HA   PHE  19           HA       PHE  19   7.153   6.692   6.469
  308    HB2  PHE  19           HB2      PHE  19   7.697   8.614   7.760
  309    HB3  PHE  19           HB3      PHE  19   6.549   8.180   9.022
  310    HD1  PHE  19           HD1      PHE  19   7.932   8.078  10.904
  311    HD2  PHE  19           HD2      PHE  19   9.011   5.959   7.374
  312    HE1  PHE  19           HE1      PHE  19   9.727   6.937  12.142
  313    HE2  PHE  19           HE2      PHE  19  10.807   4.814   8.606
  314    HZ   PHE  19           HZ       PHE  19  11.166   5.302  10.993
  315    H    ARG  20           H        ARG  20   4.847   6.460   9.176
  316    HA   ARG  20           HA       ARG  20   5.448   3.578   9.314
  317    HB2  ARG  20           HB2      ARG  20   4.765   3.682  11.682
  318    HB3  ARG  20           HB3      ARG  20   6.140   4.724  11.342
  319    HG2  ARG  20           HG2      ARG  20   3.808   6.276  10.984
  320    HG3  ARG  20           HG3      ARG  20   3.632   5.392  12.502
  321    HD2  ARG  20           HD2      ARG  20   6.054   7.019  11.739
  322    HD3  ARG  20           HD3      ARG  20   4.732   7.610  12.745
  323    HE   ARG  20           HE       ARG  20   6.858   5.865  13.541
  324   HH11  ARG  20          HH11      ARG  20   3.556   6.779  14.161
  325   HH12  ARG  20          HH12      ARG  20   3.584   6.253  15.812
  326   HH21  ARG  20          HH21      ARG  20   6.907   5.169  15.713
  327   HH22  ARG  20          HH22      ARG  20   5.490   5.338  16.694
  328    H    ARG  21           H        ARG  21   3.080   5.931   8.692
  329    HA   ARG  21           HA       ARG  21   0.822   4.221   9.322
  330    HB2  ARG  21           HB2      ARG  21   0.854   6.886   7.896
  331    HB3  ARG  21           HB3      ARG  21  -0.553   6.071   8.564
  332    HG2  ARG  21           HG2      ARG  21   1.781   7.011  10.213
  333    HG3  ARG  21           HG3      ARG  21   0.312   7.951   9.945
  334    HD2  ARG  21           HD2      ARG  21  -0.134   5.197  10.858
  335    HD3  ARG  21           HD3      ARG  21   0.701   6.233  12.016
  336    HE   ARG  21           HE       ARG  21  -2.050   6.359  11.278
  337   HH11  ARG  21          HH11      ARG  21   0.666   8.282  12.300
  338   HH12  ARG  21          HH12      ARG  21  -0.313   9.521  13.012
  339   HH21  ARG  21          HH21      ARG  21  -3.349   7.984  12.212
  340   HH22  ARG  21          HH22      ARG  21  -2.597   9.351  12.962
  341    H    ASN  22           H        ASN  22   2.904   4.801   6.686
  342    HA   ASN  22           HA       ASN  22   1.048   3.388   4.884
  343    HB2  ASN  22           HB2      ASN  22   1.619   5.835   4.331
  344    HB3  ASN  22           HB3      ASN  22   3.224   5.237   3.924
  345   HD21  ASN  22          HD21      ASN  22  -0.170   5.117   3.109
  346   HD22  ASN  22          HD22      ASN  22   0.038   4.509   1.506
  347    H    PHE  23           H        PHE  23   4.473   3.985   5.618
  348    HA   PHE  23           HA       PHE  23   5.152   1.430   4.342
  349    HB2  PHE  23           HB2      PHE  23   6.785   3.853   5.073
  350    HB3  PHE  23           HB3      PHE  23   7.544   2.313   4.681
  351    HD1  PHE  23           HD1      PHE  23   7.886   1.680   2.461
  352    HD2  PHE  23           HD2      PHE  23   5.270   4.918   3.349
  353    HE1  PHE  23           HE1      PHE  23   7.754   2.225   0.065
  354    HE2  PHE  23           HE2      PHE  23   5.132   5.467   0.954
  355    HZ   PHE  23           HZ       PHE  23   6.374   4.119  -0.691
  356    H    GLY  24           H        GLY  24   4.037   2.133   7.168
  357    HA2  GLY  24           HA2      GLY  24   6.126   0.829   8.773
  358    HA3  GLY  24           HA3      GLY  24   4.754   1.722   9.410
  359    H    TYR  25           H        TYR  25   3.064   0.227   7.333
  360    HA   TYR  25           HA       TYR  25   2.223  -1.848   9.102
  361    HB2  TYR  25           HB2      TYR  25   1.165  -0.488   6.830
  362    HB3  TYR  25           HB3      TYR  25   1.088  -2.218   6.516
  363    HD1  TYR  25           HD1      TYR  25   0.605  -0.165   9.605
  364    HD2  TYR  25           HD2      TYR  25  -1.054  -2.988   6.888
  365    HE1  TYR  25           HE1      TYR  25  -1.409  -0.323  11.008
  366    HE2  TYR  25           HE2      TYR  25  -3.073  -3.152   8.283
  367    HH   TYR  25           HH       TYR  25  -3.800  -0.956  10.733
  368    H    THR  26           H        THR  26   4.554  -1.663   6.644
  369    HA   THR  26           HA       THR  26   4.478  -4.523   6.062
  370    HB   THR  26           HB       THR  26   5.782  -2.166   4.811
  371    HG1  THR  26           HG1      THR  26   5.139  -3.418   2.934
  372   HG21  THR  26          HG21      THR  26   7.740  -3.493   5.292
  373   HG22  THR  26          HG22      THR  26   7.356  -3.644   3.577
  374   HG23  THR  26          HG23      THR  26   6.947  -4.949   4.691
  375    H    LEU  27           H        LEU  27   6.876  -2.127   7.177
  376    HA   LEU  27           HA       LEU  27   8.756  -4.109   7.987
  377    HB2  LEU  27           HB2      LEU  27   8.827  -1.401   7.546
  378    HB3  LEU  27           HB3      LEU  27   8.973  -1.509   9.300
  379    HG   LEU  27           HG       LEU  27  10.814  -2.710   7.237
  380   HD11  LEU  27          HD11      LEU  27  11.218  -0.598   9.350
  381   HD12  LEU  27          HD12      LEU  27  11.141  -0.335   7.608
  382   HD13  LEU  27          HD13      LEU  27  12.476  -1.255   8.302
  383   HD21  LEU  27          HD21      LEU  27  10.596  -4.301   9.022
  384   HD22  LEU  27          HD22      LEU  27  10.783  -3.034  10.234
  385   HD23  LEU  27          HD23      LEU  27  12.141  -3.468   9.195
  386    H    ARG  28           H        ARG  28   5.837  -3.415   9.245
  387    HA   ARG  28           HA       ARG  28   6.278  -3.154  12.006
  388    HB2  ARG  28           HB2      ARG  28   4.073  -3.184  10.391
  389    HB3  ARG  28           HB3      ARG  28   3.917  -4.725  11.225
  390    HG2  ARG  28           HG2      ARG  28   4.456  -2.237  12.784
  391    HG3  ARG  28           HG3      ARG  28   2.823  -2.597  12.221
  392    HD2  ARG  28           HD2      ARG  28   3.305  -4.945  13.273
  393    HD3  ARG  28           HD3      ARG  28   4.521  -4.058  14.192
  394    HE   ARG  28           HE       ARG  28   2.129  -2.649  14.386
  395   HH11  ARG  28          HH11      ARG  28   3.431  -5.734  15.339
  396   HH12  ARG  28          HH12      ARG  28   2.420  -5.875  16.738
  397   HH21  ARG  28          HH21      ARG  28   0.793  -2.823  16.226
  398   HH22  ARG  28          HH22      ARG  28   0.919  -4.219  17.242
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1   4.094  -4.945  -2.708
    2    HA   VAL   1           HA       VAL   1   3.632  -2.823  -1.940
    3    HB   VAL   1           HB       VAL   1   3.405  -2.745   0.544
    4   HG11  VAL   1          HG11      VAL   1   2.320  -5.339  -0.506
    5   HG12  VAL   1          HG12      VAL   1   1.572  -4.205   0.621
    6   HG13  VAL   1          HG13      VAL   1   1.730  -3.781  -1.084
    7   HG21  VAL   1          HG21      VAL   1   3.820  -4.868   1.779
    8   HG22  VAL   1          HG22      VAL   1   4.667  -5.477   0.357
    9   HG23  VAL   1          HG23      VAL   1   5.288  -4.068   1.217
   10    H    ALA   2           H        ALA   2   6.356  -3.061  -2.735
   11    HA   ALA   2           HA       ALA   2   7.634  -1.215  -0.824
   12    HB1  ALA   2           HB1      ALA   2   9.248  -2.905  -2.685
   13    HB2  ALA   2           HB2      ALA   2   9.701  -2.192  -1.137
   14    HB3  ALA   2           HB3      ALA   2   8.629  -3.592  -1.182
   15    H    ARG   3           H        ARG   3   6.440   0.414  -2.122
   16    HA   ARG   3           HA       ARG   3   7.919   1.077  -4.584
   17    HB2  ARG   3           HB2      ARG   3   5.704   2.435  -5.038
   18    HB3  ARG   3           HB3      ARG   3   5.817   0.726  -5.441
   19    HG2  ARG   3           HG2      ARG   3   4.667   0.140  -3.386
   20    HG3  ARG   3           HG3      ARG   3   4.603   1.841  -2.921
   21    HD2  ARG   3           HD2      ARG   3   2.599   1.857  -3.913
   22    HD3  ARG   3           HD3      ARG   3   3.502   1.873  -5.427
   23    HE   ARG   3           HE       ARG   3   3.225  -0.783  -4.661
   24   HH11  ARG   3          HH11      ARG   3   1.187   1.880  -5.598
   25   HH12  ARG   3          HH12      ARG   3  -0.042   0.868  -6.281
   26   HH21  ARG   3          HH21      ARG   3   1.614  -2.125  -5.559
   27   HH22  ARG   3          HH22      ARG   3   0.201  -1.410  -6.258
   28    H    GLY   4           H        GLY   4   6.989   2.048  -1.451
   29    HA2  GLY   4           HA2      GLY   4   7.110   4.870  -1.786
   30    HA3  GLY   4           HA3      GLY   4   7.244   4.001  -0.264
   31    H    TRP   5           H        TRP   5   9.532   2.457  -1.661
   32    HA   TRP   5           HA       TRP   5  11.581   4.549  -1.330
   33    HB2  TRP   5           HB2      TRP   5  11.979   1.668  -0.533
   34    HB3  TRP   5           HB3      TRP   5  12.988   3.056  -0.135
   35    HD1  TRP   5           HD1      TRP   5  10.806   5.021   1.011
   36    HE1  TRP   5           HE1      TRP   5   9.657   4.502   3.255
   37    HE3  TRP   5           HE3      TRP   5  11.660  -0.016   1.215
   38    HZ2  TRP   5           HZ2      TRP   5   9.177   2.256   4.895
   39    HZ3  TRP   5           HZ3      TRP   5  10.823  -1.276   3.156
   40    HH2  TRP   5           HH2      TRP   5   9.608  -0.162   4.957
   41    H    LYS   6           H        LYS   6  10.179   2.459  -3.440
   42    HA   LYS   6           HA       LYS   6  12.661   2.143  -4.998
   43    HB2  LYS   6           HB2      LYS   6  11.906  -0.038  -4.501
   44    HB3  LYS   6           HB3      LYS   6  10.224   0.387  -4.795
   45    HG2  LYS   6           HG2      LYS   6  11.906   0.777  -7.134
   46    HG3  LYS   6           HG3      LYS   6  11.907  -0.889  -6.551
   47    HD2  LYS   6           HD2      LYS   6   9.243   0.250  -6.544
   48    HD3  LYS   6           HD3      LYS   6   9.977   0.315  -8.148
   49    HE2  LYS   6           HE2      LYS   6  10.429  -2.227  -6.813
   50    HE3  LYS   6           HE3      LYS   6   8.715  -1.863  -7.005
   51    HZ1  LYS   6           HZ1      LYS   6   9.083  -2.796  -9.010
   52    HZ2  LYS   6           HZ2      LYS   6  10.733  -2.423  -9.027
   53    HZ3  LYS   6           HZ3      LYS   6   9.593  -1.235  -9.419
   54    H    ARG   7           H        ARG   7   9.193   2.826  -5.165
   55    HA   ARG   7           HA       ARG   7   9.262   3.527  -7.945
   56    HB2  ARG   7           HB2      ARG   7   7.264   2.735  -6.395
   57    HB3  ARG   7           HB3      ARG   7   7.078   4.465  -6.143
   58    HG2  ARG   7           HG2      ARG   7   5.990   4.643  -8.058
   59    HG3  ARG   7           HG3      ARG   7   7.384   3.998  -8.929
   60    HD2  ARG   7           HD2      ARG   7   6.365   1.727  -7.884
   61    HD3  ARG   7           HD3      ARG   7   4.890   2.674  -8.085
   62    HE   ARG   7           HE       ARG   7   6.169   2.934 -10.471
   63   HH11  ARG   7          HH11      ARG   7   5.167   0.224  -8.528
   64   HH12  ARG   7          HH12      ARG   7   4.919  -0.824  -9.885
   65   HH21  ARG   7          HH21      ARG   7   5.845   1.563 -12.265
   66   HH22  ARG   7          HH22      ARG   7   5.306  -0.062 -12.010
   67    H    LYS   8           H        LYS   8   8.938   5.379  -4.922
   68    HA   LYS   8           HA       LYS   8   8.949   7.922  -6.155
   69    HB2  LYS   8           HB2      LYS   8   9.254   6.886  -3.386
   70    HB3  LYS   8           HB3      LYS   8   9.831   8.517  -3.699
   71    HG2  LYS   8           HG2      LYS   8   7.736   9.136  -3.257
   72    HG3  LYS   8           HG3      LYS   8   7.377   8.557  -4.885
   73    HD2  LYS   8           HD2      LYS   8   6.953   6.290  -3.846
   74    HD3  LYS   8           HD3      LYS   8   7.024   7.095  -2.276
   75    HE2  LYS   8           HE2      LYS   8   5.302   8.652  -3.830
   76    HE3  LYS   8           HE3      LYS   8   4.869   6.982  -4.193
   77    HZ1  LYS   8           HZ1      LYS   8   4.361   6.553  -1.978
   78    HZ2  LYS   8           HZ2      LYS   8   3.732   8.104  -2.228
   79    HZ3  LYS   8           HZ3      LYS   8   5.198   7.909  -1.407
   80    H    CYS   9           H        CYS   9  11.473   6.903  -3.891
   81    HA   CYS   9           HA       CYS   9  13.479   7.906  -5.803
   82    HB2  CYS   9           HB2      CYS   9  13.750   8.035  -2.800
   83    HB3  CYS   9           HB3      CYS   9  14.747   8.836  -4.009
   84    HG   CYS   9           HG       CYS   9  13.483  11.050  -3.793
   85    HA   PRO  10           HA       PRO  10  15.003   3.737  -5.468
   86    HB2  PRO  10           HB2      PRO  10  17.144   4.089  -7.098
   87    HB3  PRO  10           HB3      PRO  10  15.495   3.904  -7.706
   88    HG2  PRO  10           HG2      PRO  10  17.096   6.402  -7.301
   89    HG3  PRO  10           HG3      PRO  10  16.053   5.950  -8.661
   90    HD2  PRO  10           HD2      PRO  10  15.245   7.638  -6.704
   91    HD3  PRO  10           HD3      PRO  10  14.126   6.546  -7.545
   92    H    LEU  11           H        LEU  11  15.626   5.636  -3.363
   93    HA   LEU  11           HA       LEU  11  18.473   5.605  -2.964
   94    HB2  LEU  11           HB2      LEU  11  16.103   6.567  -1.453
   95    HB3  LEU  11           HB3      LEU  11  17.590   6.270  -0.554
   96    HG   LEU  11           HG       LEU  11  17.692   7.993  -2.988
   97   HD11  LEU  11          HD11      LEU  11  17.348   9.874  -1.152
   98   HD12  LEU  11          HD12      LEU  11  16.318   8.634  -0.440
   99   HD13  LEU  11          HD13      LEU  11  16.001   9.208  -2.075
  100   HD21  LEU  11          HD21      LEU  11  19.807   7.792  -2.183
  101   HD22  LEU  11          HD22      LEU  11  19.273   7.517  -0.525
  102   HD23  LEU  11          HD23      LEU  11  19.273   9.150  -1.193
  103    H    PHE  12           H        PHE  12  15.764   4.168  -1.134
  104    HA   PHE  12           HA       PHE  12  17.609   2.214   0.007
  105    HB2  PHE  12           HB2      PHE  12  16.152   3.273   1.601
  106    HB3  PHE  12           HB3      PHE  12  14.733   2.897   0.630
  107    HD1  PHE  12           HD1      PHE  12  17.542   1.212   2.403
  108    HD2  PHE  12           HD2      PHE  12  13.477   1.039   1.155
  109    HE1  PHE  12           HE1      PHE  12  17.252  -0.887   3.652
  110    HE2  PHE  12           HE2      PHE  12  13.179  -1.060   2.403
  111    HZ   PHE  12           HZ       PHE  12  15.068  -2.026   3.653
  112    H    GLY  13           H        GLY  13  14.863   2.429  -2.160
  113    HA2  GLY  13           HA2      GLY  13  14.318  -0.353  -2.316
  114    HA3  GLY  13           HA3      GLY  13  13.820   0.864  -3.481
  115    H    LYS  14           H        LYS  14  15.465   1.573  -5.058
  116    HA   LYS  14           HA       LYS  14  16.791  -0.720  -6.173
  117    HB2  LYS  14           HB2      LYS  14  17.089   2.094  -7.188
  118    HB3  LYS  14           HB3      LYS  14  17.138   0.588  -8.095
  119    HG2  LYS  14           HG2      LYS  14  14.695   1.801  -6.816
  120    HG3  LYS  14           HG3      LYS  14  15.091   1.819  -8.536
  121    HD2  LYS  14           HD2      LYS  14  15.263  -0.847  -7.908
  122    HD3  LYS  14           HD3      LYS  14  13.922  -0.300  -6.897
  123    HE2  LYS  14           HE2      LYS  14  12.888  -0.918  -8.890
  124    HE3  LYS  14           HE3      LYS  14  13.049   0.832  -9.035
  125    HZ1  LYS  14           HZ1      LYS  14  13.705  -0.216 -11.078
  126    HZ2  LYS  14           HZ2      LYS  14  14.816  -1.207 -10.276
  127    HZ3  LYS  14           HZ3      LYS  14  15.073   0.463 -10.352
  128    H    GLY  15           H        GLY  15  17.692   1.982  -4.217
  129    HA2  GLY  15           HA2      GLY  15  20.518   1.776  -4.825
  130    HA3  GLY  15           HA3      GLY  15  19.779   2.838  -3.636
  131    H    GLY  16           H        GLY  16  18.472   1.151  -1.972
  132    HA2  GLY  16           HA2      GLY  16  20.675  -0.056  -0.547
  133    HA3  GLY  16           HA3      GLY  16  19.012   0.065   0.007
  134    H1   LYS   1           H        LYS   1  17.531   1.710   4.527
  135    HA   LYS   1           HA       LYS   1  18.481   4.460   4.836
  136    HB2  LYS   1           HB2      LYS   1  19.028   2.445   2.977
  137    HB3  LYS   1           HB3      LYS   1  18.039   3.606   2.100
  138    HG2  LYS   1           HG2      LYS   1  19.819   4.882   1.814
  139    HG3  LYS   1           HG3      LYS   1  19.950   5.082   3.563
  140    HD2  LYS   1           HD2      LYS   1  21.447   3.286   3.766
  141    HD3  LYS   1           HD3      LYS   1  21.049   2.661   2.164
  142    HE2  LYS   1           HE2      LYS   1  21.949   5.111   1.506
  143    HE3  LYS   1           HE3      LYS   1  22.900   4.819   2.962
  144    HZ1  LYS   1           HZ1      LYS   1  23.263   2.516   1.755
  145    HZ2  LYS   1           HZ2      LYS   1  24.248   3.853   1.441
  146    HZ3  LYS   1           HZ3      LYS   1  22.991   3.462   0.379
  147    H    TYR   2           H        TYR   2  15.609   2.722   4.334
  148    HA   TYR   2           HA       TYR   2  14.093   4.281   2.652
  149    HB2  TYR   2           HB2      TYR   2  12.147   3.603   4.210
  150    HB3  TYR   2           HB3      TYR   2  13.064   2.324   3.421
  151    HD1  TYR   2           HD1      TYR   2  14.173   0.677   4.687
  152    HD2  TYR   2           HD2      TYR   2  12.671   4.155   6.622
  153    HE1  TYR   2           HE1      TYR   2  14.635  -0.349   6.874
  154    HE2  TYR   2           HE2      TYR   2  13.129   3.140   8.816
  155    HH   TYR   2           HH       TYR   2  14.399   1.449   9.832
  156    H    GLU   3           H        GLU   3  15.069   4.934   5.947
  157    HA   GLU   3           HA       GLU   3  13.346   6.880   6.770
  158    HB2  GLU   3           HB2      GLU   3  15.511   7.970   7.771
  159    HB3  GLU   3           HB3      GLU   3  14.964   6.399   8.339
  160    HG2  GLU   3           HG2      GLU   3  16.819   5.395   7.647
  161    HG3  GLU   3           HG3      GLU   3  16.742   6.171   6.065
  162    H    ILE   4           H        ILE   4  16.287   7.460   4.838
  163    HA   ILE   4           HA       ILE   4  15.846  10.202   4.433
  164    HB   ILE   4           HB       ILE   4  17.312   8.331   2.573
  165   HG12  ILE   4          HG12      ILE   4  19.181   9.655   4.139
  166   HG13  ILE   4          HG13      ILE   4  17.913   9.232   5.283
  167   HG21  ILE   4          HG21      ILE   4  17.057  10.386   1.478
  168   HG22  ILE   4          HG22      ILE   4  17.317  11.307   2.959
  169   HG23  ILE   4          HG23      ILE   4  18.665  10.464   2.196
  170   HD11  ILE   4          HD11      ILE   4  19.028   7.193   3.401
  171   HD12  ILE   4          HD12      ILE   4  19.839   7.584   4.917
  172   HD13  ILE   4          HD13      ILE   4  18.192   6.956   4.935
  173    H    THR   5           H        THR   5  14.254   7.502   3.139
  174    HA   THR   5           HA       THR   5  13.340   8.937   0.761
  175    HB   THR   5           HB       THR   5  12.206   6.271   1.322
  176    HG1  THR   5           HG1      THR   5  14.988   6.651   0.816
  177   HG21  THR   5          HG21      THR   5  13.049   7.922  -0.957
  178   HG22  THR   5          HG22      THR   5  11.734   6.753  -0.827
  179   HG23  THR   5          HG23      THR   5  13.379   6.199  -1.137
  180    H    THR   6           H        THR   6  12.318   8.079   3.935
  181    HA   THR   6           HA       THR   6   9.565   8.923   3.309
  182    HB   THR   6           HB       THR   6   9.333   6.787   4.205
  183    HG1  THR   6           HG1      THR   6   8.060   8.270   5.395
  184   HG21  THR   6          HG21      THR   6  11.268   5.943   5.005
  185   HG22  THR   6          HG22      THR   6  10.631   6.465   6.565
  186   HG23  THR   6          HG23      THR   6  11.776   7.484   5.692
  187    H    ILE   7           H        ILE   7  12.347  10.133   4.468
  188    HA   ILE   7           HA       ILE   7  11.009  11.813   6.486
  189    HB   ILE   7           HB       ILE   7  13.926  11.103   6.190
  190   HG12  ILE   7          HG12      ILE   7  12.433   9.433   7.289
  191   HG13  ILE   7          HG13      ILE   7  13.673  10.074   8.364
  192   HG21  ILE   7          HG21      ILE   7  14.133  12.478   8.332
  193   HG22  ILE   7          HG22      ILE   7  13.976  13.359   6.814
  194   HG23  ILE   7          HG23      ILE   7  12.582  13.186   7.882
  195   HD11  ILE   7          HD11      ILE   7  10.981   9.904   8.893
  196   HD12  ILE   7          HD12      ILE   7  12.160  10.874   9.776
  197   HD13  ILE   7          HD13      ILE   7  11.213  11.603   8.480
  198    H    HIS   8           H        HIS   8  12.780  11.772   3.507
  199    HA   HIS   8           HA       HIS   8  12.860  14.711   3.474
  200    HB2  HIS   8           HB2      HIS   8  14.739  12.730   2.662
  201    HB3  HIS   8           HB3      HIS   8  14.212  13.595   1.221
  202    HD1  HIS   8           HD1      HIS   8  16.096  14.048   4.412
  203    HD2  HIS   8           HD2      HIS   8  14.986  16.288   1.093
  204    HE1  HIS   8           HE1      HIS   8  17.455  16.161   4.541
  205    H    ASN   9           H        ASN   9  11.061  12.131   2.378
  206    HA   ASN   9           HA       ASN   9  10.031  13.701   0.106
  207    HB2  ASN   9           HB2      ASN   9   9.809  10.703   0.344
  208    HB3  ASN   9           HB3      ASN   9   9.548  11.703  -1.083
  209   HD21  ASN   9          HD21      ASN   9  11.793  13.334  -0.916
  210   HD22  ASN   9          HD22      ASN   9  13.199  12.372  -1.206
  211    H    LEU  10           H        LEU  10   9.323  13.413   3.086
  212    HA   LEU  10           HA       LEU  10   6.470  12.783   2.694
  213    HB2  LEU  10           HB2      LEU  10   6.368  11.762   4.705
  214    HB3  LEU  10           HB3      LEU  10   8.078  11.489   4.377
  215    HG   LEU  10           HG       LEU  10   6.998  13.733   6.078
  216   HD11  LEU  10          HD11      LEU  10   7.033  12.408   7.871
  217   HD12  LEU  10          HD12      LEU  10   8.549  11.649   7.389
  218   HD13  LEU  10          HD13      LEU  10   7.021  11.063   6.729
  219   HD21  LEU  10          HD21      LEU  10   9.631  13.234   6.736
  220   HD22  LEU  10          HD22      LEU  10   9.037  14.573   5.753
  221   HD23  LEU  10          HD23      LEU  10   9.610  13.094   4.978
  222    H    PHE  11           H        PHE  11   8.766  15.165   3.543
  223    HA   PHE  11           HA       PHE  11   6.997  16.841   5.059
  224    HB2  PHE  11           HB2      PHE  11   9.767  16.765   4.510
  225    HB3  PHE  11           HB3      PHE  11   9.180  18.306   3.892
  226    HD1  PHE  11           HD1      PHE  11   8.093  16.335   6.854
  227    HD2  PHE  11           HD2      PHE  11   9.891  19.907   5.397
  228    HE1  PHE  11           HE1      PHE  11   8.112  17.252   9.137
  229    HE2  PHE  11           HE2      PHE  11   9.914  20.829   7.678
  230    HZ   PHE  11           HZ       PHE  11   9.025  19.501   9.552
  231    H    ARG  12           H        ARG  12   7.242  16.098   1.812
  232    HA   ARG  12           HA       ARG  12   6.148  18.698   0.976
  233    HB2  ARG  12           HB2      ARG  12   7.471  16.483  -0.589
  234    HB3  ARG  12           HB3      ARG  12   6.630  17.824  -1.355
  235    HG2  ARG  12           HG2      ARG  12   8.249  19.332  -0.818
  236    HG3  ARG  12           HG3      ARG  12   8.728  18.464   0.641
  237    HD2  ARG  12           HD2      ARG  12  10.085  17.004  -0.510
  238    HD3  ARG  12           HD3      ARG  12   9.194  17.200  -2.018
  239    HE   ARG  12           HE       ARG  12  11.457  18.689  -1.185
  240   HH11  ARG  12          HH11      ARG  12   8.429  18.993  -2.876
  241   HH12  ARG  12          HH12      ARG  12   8.958  20.323  -3.852
  242   HH21  ARG  12          HH21      ARG  12  12.165  20.439  -2.464
  243   HH22  ARG  12          HH22      ARG  12  11.084  21.144  -3.617
  244    H    LYS  13           H        LYS  13   5.565  15.231   0.983
  245    HA   LYS  13           HA       LYS  13   2.803  15.760   0.100
  246    HB2  LYS  13           HB2      LYS  13   4.252  13.148  -0.305
  247    HB3  LYS  13           HB3      LYS  13   2.742  13.674  -1.038
  248    HG2  LYS  13           HG2      LYS  13   4.158  15.534  -2.111
  249    HG3  LYS  13           HG3      LYS  13   5.539  14.524  -1.674
  250    HD2  LYS  13           HD2      LYS  13   4.103  12.644  -2.830
  251    HD3  LYS  13           HD3      LYS  13   3.355  14.021  -3.642
  252    HE2  LYS  13           HE2      LYS  13   6.058  14.558  -3.809
  253    HE3  LYS  13           HE3      LYS  13   5.974  12.813  -4.035
  254    HZ1  LYS  13           HZ1      LYS  13   5.795  14.145  -6.112
  255    HZ2  LYS  13           HZ2      LYS  13   4.313  14.742  -5.557
  256    HZ3  LYS  13           HZ3      LYS  13   4.499  13.088  -5.856
  257    H    LEU  14           H        LEU  14   3.808  15.808   2.808
  258    HA   LEU  14           HA       LEU  14   3.498  13.541   4.310
  259    HB2  LEU  14           HB2      LEU  14   3.702  16.246   4.817
  260    HB3  LEU  14           HB3      LEU  14   2.142  15.818   5.516
  261    HG   LEU  14           HG       LEU  14   4.425  14.072   6.219
  262   HD11  LEU  14          HD11      LEU  14   4.728  15.937   8.129
  263   HD12  LEU  14          HD12      LEU  14   4.382  16.972   6.744
  264   HD13  LEU  14          HD13      LEU  14   5.736  15.845   6.685
  265   HD21  LEU  14          HD21      LEU  14   3.267  13.803   8.214
  266   HD22  LEU  14          HD22      LEU  14   1.976  13.982   7.026
  267   HD23  LEU  14          HD23      LEU  14   2.427  15.345   8.052
  268    H    THR  15           H        THR  15   1.029  15.409   2.714
  269    HA   THR  15           HA       THR  15  -1.267  14.662   4.034
  270    HB   THR  15           HB       THR  15  -1.113  16.216   2.052
  271    HG1  THR  15           HG1      THR  15  -3.144  14.281   1.657
  272   HG21  THR  15          HG21      THR  15   0.045  14.257   0.705
  273   HG22  THR  15          HG22      THR  15  -0.955  15.460  -0.108
  274   HG23  THR  15          HG23      THR  15  -1.623  13.875   0.282
  275    H    HIS  16           H        HIS  16   0.691  12.778   1.813
  276    HA   HIS  16           HA       HIS  16  -1.174  10.653   1.482
  277    HB2  HIS  16           HB2      HIS  16   1.830  10.638   1.120
  278    HB3  HIS  16           HB3      HIS  16   0.711   9.419   0.514
  279    HD1  HIS  16           HD1      HIS  16   2.558  10.986  -1.396
  280    HD2  HIS  16           HD2      HIS  16  -1.357  12.060  -0.514
  281    HE1  HIS  16           HE1      HIS  16   1.793  12.389  -3.337
  282    H    ARG  17           H        ARG  17  -1.733   9.158   2.910
  283    HA   ARG  17           HA       ARG  17  -0.071   8.763   5.284
  284    HB2  ARG  17           HB2      ARG  17  -2.044   7.620   6.218
  285    HB3  ARG  17           HB3      ARG  17  -2.417   9.255   5.686
  286    HG2  ARG  17           HG2      ARG  17  -2.901   7.496   3.513
  287    HG3  ARG  17           HG3      ARG  17  -3.670   6.824   4.952
  288    HD2  ARG  17           HD2      ARG  17  -4.047   9.590   3.816
  289    HD3  ARG  17           HD3      ARG  17  -5.224   8.277   3.822
  290    HE   ARG  17           HE       ARG  17  -4.585  10.048   5.998
  291   HH11  ARG  17          HH11      ARG  17  -5.890   6.945   5.109
  292   HH12  ARG  17          HH12      ARG  17  -6.826   6.778   6.558
  293   HH21  ARG  17          HH21      ARG  17  -5.812   9.839   7.909
  294   HH22  ARG  17          HH22      ARG  17  -6.781   8.426   8.150
  295    H    LEU  18           H        LEU  18   0.739   7.663   2.732
  296    HA   LEU  18           HA       LEU  18   0.562   4.787   3.354
  297    HB2  LEU  18           HB2      LEU  18   1.080   5.972   0.637
  298    HB3  LEU  18           HB3      LEU  18   0.753   4.285   1.031
  299    HG   LEU  18           HG       LEU  18  -1.328   6.345   1.612
  300   HD11  LEU  18          HD11      LEU  18  -2.091   5.473  -0.825
  301   HD12  LEU  18          HD12      LEU  18  -0.346   5.576  -1.051
  302   HD13  LEU  18          HD13      LEU  18  -1.253   6.998  -0.539
  303   HD21  LEU  18          HD21      LEU  18  -1.111   3.541   1.756
  304   HD22  LEU  18          HD22      LEU  18  -2.232   3.899   0.442
  305   HD23  LEU  18          HD23      LEU  18  -2.534   4.539   2.058
  306    H    PHE  19           H        PHE  19   2.498   6.991   4.144
  307    HA   PHE  19           HA       PHE  19   4.946   5.658   3.188
  308    HB2  PHE  19           HB2      PHE  19   4.272   8.318   2.828
  309    HB3  PHE  19           HB3      PHE  19   5.335   8.358   4.230
  310    HD1  PHE  19           HD1      PHE  19   7.183   6.143   3.582
  311    HD2  PHE  19           HD2      PHE  19   5.570   9.223   1.126
  312    HE1  PHE  19           HE1      PHE  19   9.142   5.986   2.103
  313    HE2  PHE  19           HE2      PHE  19   7.526   9.068  -0.357
  314    HZ   PHE  19           HZ       PHE  19   9.315   7.448   0.129
  315    H    ARG  20           H        ARG  20   3.388   7.317   5.893
  316    HA   ARG  20           HA       ARG  20   5.379   6.145   7.712
  317    HB2  ARG  20           HB2      ARG  20   3.493   8.479   8.036
  318    HB3  ARG  20           HB3      ARG  20   4.402   7.790   9.374
  319    HG2  ARG  20           HG2      ARG  20   5.631   8.935   6.875
  320    HG3  ARG  20           HG3      ARG  20   5.457   9.795   8.407
  321    HD2  ARG  20           HD2      ARG  20   6.671   7.503   9.215
  322    HD3  ARG  20           HD3      ARG  20   7.368   7.715   7.610
  323    HE   ARG  20           HE       ARG  20   8.598   9.445   8.438
  324   HH11  ARG  20          HH11      ARG  20   5.877   8.911  10.542
  325   HH12  ARG  20          HH12      ARG  20   6.391  10.074  11.719
  326   HH21  ARG  20          HH21      ARG  20   9.286  10.979   9.980
  327   HH22  ARG  20          HH22      ARG  20   8.330  11.251  11.397
  328    H    ARG  21           H        ARG  21   1.966   6.306   6.964
  329    HA   ARG  21           HA       ARG  21   1.262   4.697   9.287
  330    HB2  ARG  21           HB2      ARG  21  -0.300   6.112   7.151
  331    HB3  ARG  21           HB3      ARG  21  -1.069   4.873   8.134
  332    HG2  ARG  21           HG2      ARG  21  -0.645   6.114  10.140
  333    HG3  ARG  21           HG3      ARG  21   0.320   7.296   9.254
  334    HD2  ARG  21           HD2      ARG  21  -1.542   8.214   8.206
  335    HD3  ARG  21           HD3      ARG  21  -2.533   6.788   8.505
  336    HE   ARG  21           HE       ARG  21  -3.102   7.658  10.540
  337   HH11  ARG  21          HH11      ARG  21  -0.292   9.325   9.341
  338   HH12  ARG  21          HH12      ARG  21  -0.298  10.514  10.601
  339   HH21  ARG  21          HH21      ARG  21  -3.121   9.218  12.205
  340   HH22  ARG  21          HH22      ARG  21  -1.907  10.452  12.231
  341    H    ASN  22           H        ASN  22   2.309   4.194   6.141
  342    HA   ASN  22           HA       ASN  22   1.159   1.480   6.120
  343    HB2  ASN  22           HB2      ASN  22   0.352   3.037   4.289
  344    HB3  ASN  22           HB3      ASN  22   2.000   3.028   3.667
  345   HD21  ASN  22          HD21      ASN  22  -0.833   1.852   2.981
  346   HD22  ASN  22          HD22      ASN  22  -0.433   0.275   2.396
  347    H    PHE  23           H        PHE  23   3.953   3.474   5.252
  348    HA   PHE  23           HA       PHE  23   5.606   1.049   5.133
  349    HB2  PHE  23           HB2      PHE  23   5.952   3.819   4.009
  350    HB3  PHE  23           HB3      PHE  23   7.321   2.722   4.167
  351    HD1  PHE  23           HD1      PHE  23   3.825   2.689   2.858
  352    HD2  PHE  23           HD2      PHE  23   7.866   1.455   2.339
  353    HE1  PHE  23           HE1      PHE  23   3.228   1.644   0.711
  354    HE2  PHE  23           HE2      PHE  23   7.275   0.409   0.192
  355    HZ   PHE  23           HZ       PHE  23   4.954   0.503  -0.625
  356    H    GLY  24           H        GLY  24   4.618   2.909   7.469
  357    HA2  GLY  24           HA2      GLY  24   7.277   3.301   8.690
  358    HA3  GLY  24           HA3      GLY  24   5.837   4.209   9.127
  359    H    TYR  25           H        TYR  25   4.110   1.863   9.154
  360    HA   TYR  25           HA       TYR  25   4.579   1.066  11.857
  361    HB2  TYR  25           HB2      TYR  25   2.384   1.097  10.085
  362    HB3  TYR  25           HB3      TYR  25   2.619  -0.586  10.546
  363    HD1  TYR  25           HD1      TYR  25   2.449  -1.258  12.914
  364    HD2  TYR  25           HD2      TYR  25   1.602   2.721  11.665
  365    HE1  TYR  25           HE1      TYR  25   1.305  -0.837  15.051
  366    HE2  TYR  25           HE2      TYR  25   0.457   3.153  13.799
  367    HH   TYR  25           HH       TYR  25   0.813   1.700  16.405
  368    H    THR  26           H        THR  26   5.716  -0.052   8.901
  369    HA   THR  26           HA       THR  26   5.987  -2.827   9.740
  370    HB   THR  26           HB       THR  26   6.356  -1.357   7.189
  371    HG1  THR  26           HG1      THR  26   5.394  -3.392   6.468
  372   HG21  THR  26          HG21      THR  26   8.573  -2.289   7.437
  373   HG22  THR  26          HG22      THR  26   7.683  -3.229   6.240
  374   HG23  THR  26          HG23      THR  26   7.901  -3.859   7.873
  375    H    LEU  27           H        LEU  27   8.151  -0.185   8.710
  376    HA   LEU  27           HA       LEU  27  10.527  -1.538   9.473
  377    HB2  LEU  27           HB2      LEU  27  11.665   0.451   8.945
  378    HB3  LEU  27           HB3      LEU  27  10.322   0.341   7.810
  379    HG   LEU  27           HG       LEU  27   9.160   1.889   9.634
  380   HD11  LEU  27          HD11      LEU  27  10.646   2.361  11.256
  381   HD12  LEU  27          HD12      LEU  27  11.227   3.555  10.096
  382   HD13  LEU  27          HD13      LEU  27  12.039   1.996  10.237
  383   HD21  LEU  27          HD21      LEU  27  10.265   2.215   7.103
  384   HD22  LEU  27          HD22      LEU  27  10.924   3.546   8.055
  385   HD23  LEU  27          HD23      LEU  27   9.178   3.325   7.937
  386    H    ARG  28           H        ARG  28   8.107  -0.361  11.351
  387    HA   ARG  28           HA       ARG  28   9.893   0.466  13.532
  388    HB2  ARG  28           HB2      ARG  28   8.170   2.082  13.075
  389    HB3  ARG  28           HB3      ARG  28   6.925   0.842  13.126
  390    HG2  ARG  28           HG2      ARG  28   6.921   0.737  15.409
  391    HG3  ARG  28           HG3      ARG  28   8.600   1.265  15.544
  392    HD2  ARG  28           HD2      ARG  28   7.006   3.323  14.330
  393    HD3  ARG  28           HD3      ARG  28   6.278   2.813  15.852
  394    HE   ARG  28           HE       ARG  28   8.986   3.163  16.332
  395   HH11  ARG  28          HH11      ARG  28   6.265   5.100  15.350
  396   HH12  ARG  28          HH12      ARG  28   6.883   6.557  16.054
  397   HH21  ARG  28          HH21      ARG  28   9.809   5.076  17.263
  398   HH22  ARG  28          HH22      ARG  28   8.899   6.543  17.141
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   2.607  -1.325  -3.685
    2    HA   VAL   1           HA       VAL   1   1.583  -0.441  -1.596
    3    HB   VAL   1           HB       VAL   1   2.509  -3.062  -0.424
    4   HG11  VAL   1          HG11      VAL   1   2.455  -1.423   1.255
    5   HG12  VAL   1          HG12      VAL   1   0.972  -0.703   0.624
    6   HG13  VAL   1          HG13      VAL   1   0.922  -2.280   1.413
    7   HG21  VAL   1          HG21      VAL   1   0.747  -3.876  -1.614
    8   HG22  VAL   1          HG22      VAL   1  -0.133  -3.268  -0.211
    9   HG23  VAL   1          HG23      VAL   1  -0.068  -2.314  -1.692
   10    H    ALA   2           H        ALA   2   4.429  -1.637  -2.846
   11    HA   ALA   2           HA       ALA   2   6.026  -0.181  -0.839
   12    HB1  ALA   2           HB1      ALA   2   6.319  -2.746  -1.090
   13    HB2  ALA   2           HB2      ALA   2   7.210  -2.325  -2.554
   14    HB3  ALA   2           HB3      ALA   2   7.749  -1.717  -0.989
   15    H    ARG   3           H        ARG   3   5.436   1.678  -2.260
   16    HA   ARG   3           HA       ARG   3   7.237   1.820  -4.589
   17    HB2  ARG   3           HB2      ARG   3   5.038   3.775  -4.451
   18    HB3  ARG   3           HB3      ARG   3   5.651   2.862  -5.823
   19    HG2  ARG   3           HG2      ARG   3   4.433   0.886  -5.052
   20    HG3  ARG   3           HG3      ARG   3   3.807   1.813  -3.686
   21    HD2  ARG   3           HD2      ARG   3   2.061   2.085  -5.115
   22    HD3  ARG   3           HD3      ARG   3   3.053   3.443  -5.644
   23    HE   ARG   3           HE       ARG   3   3.324   2.398  -7.654
   24   HH11  ARG   3          HH11      ARG   3   2.291   0.050  -5.301
   25   HH12  ARG   3          HH12      ARG   3   2.107  -1.224  -6.461
   26   HH21  ARG   3          HH21      ARG   3   3.086   0.729  -9.190
   27   HH22  ARG   3          HH22      ARG   3   2.560  -0.837  -8.673
   28    H    GLY   4           H        GLY   4   6.495   3.047  -1.516
   29    HA2  GLY   4           HA2      GLY   4   7.530   5.700  -1.892
   30    HA3  GLY   4           HA3      GLY   4   7.160   4.933  -0.355
   31    H    TRP   5           H        TRP   5   8.974   2.654  -1.533
   32    HA   TRP   5           HA       TRP   5  11.503   3.912  -0.693
   33    HB2  TRP   5           HB2      TRP   5  10.402   1.159  -0.160
   34    HB3  TRP   5           HB3      TRP   5  12.123   1.508  -0.019
   35    HD1  TRP   5           HD1      TRP   5  10.646   4.566   1.118
   36    HE1  TRP   5           HE1      TRP   5  10.370   4.625   3.677
   37    HE3  TRP   5           HE3      TRP   5  11.243  -0.414   2.114
   38    HZ2  TRP   5           HZ2      TRP   5  10.401   2.801   5.832
   39    HZ3  TRP   5           HZ3      TRP   5  11.105  -1.173   4.450
   40    HH2  TRP   5           HH2      TRP   5  10.694   0.402   6.269
   41    H    LYS   6           H        LYS   6   9.853   2.365  -3.198
   42    HA   LYS   6           HA       LYS   6  12.379   1.674  -4.548
   43    HB2  LYS   6           HB2      LYS   6  11.089  -0.299  -4.403
   44    HB3  LYS   6           HB3      LYS   6   9.600   0.547  -4.806
   45    HG2  LYS   6           HG2      LYS   6  11.599   0.753  -6.905
   46    HG3  LYS   6           HG3      LYS   6  11.164  -0.918  -6.533
   47    HD2  LYS   6           HD2      LYS   6   8.839   0.817  -6.650
   48    HD3  LYS   6           HD3      LYS   6   9.757   0.834  -8.158
   49    HE2  LYS   6           HE2      LYS   6   9.333  -1.820  -6.953
   50    HE3  LYS   6           HE3      LYS   6   7.880  -1.011  -7.540
   51    HZ1  LYS   6           HZ1      LYS   6   9.808  -2.370  -9.027
   52    HZ2  LYS   6           HZ2      LYS   6   9.910  -0.738  -9.459
   53    HZ3  LYS   6           HZ3      LYS   6   8.438  -1.558  -9.596
   54    H    ARG   7           H        ARG   7   9.169   3.103  -5.041
   55    HA   ARG   7           HA       ARG   7   9.889   4.138  -7.638
   56    HB2  ARG   7           HB2      ARG   7   7.525   3.427  -6.634
   57    HB3  ARG   7           HB3      ARG   7   7.487   5.126  -6.182
   58    HG2  ARG   7           HG2      ARG   7   6.926   5.709  -8.241
   59    HG3  ARG   7           HG3      ARG   7   8.332   4.874  -8.906
   60    HD2  ARG   7           HD2      ARG   7   6.764   2.763  -8.381
   61    HD3  ARG   7           HD3      ARG   7   5.522   3.983  -8.663
   62    HE   ARG   7           HE       ARG   7   7.498   4.011 -10.709
   63   HH11  ARG   7          HH11      ARG   7   4.693   2.291  -9.572
   64   HH12  ARG   7          HH12      ARG   7   4.262   1.695 -11.139
   65   HH21  ARG   7          HH21      ARG   7   6.939   3.231 -12.779
   66   HH22  ARG   7          HH22      ARG   7   5.540   2.230 -12.963
   67    H    LYS   8           H        LYS   8   9.107   5.549  -4.464
   68    HA   LYS   8           HA       LYS   8   9.576   8.221  -5.137
   69    HB2  LYS   8           HB2      LYS   8   9.428   6.658  -2.621
   70    HB3  LYS   8           HB3      LYS   8  10.237   8.217  -2.527
   71    HG2  LYS   8           HG2      LYS   8   7.875   8.389  -1.950
   72    HG3  LYS   8           HG3      LYS   8   8.255   9.320  -3.401
   73    HD2  LYS   8           HD2      LYS   8   7.096   7.901  -4.781
   74    HD3  LYS   8           HD3      LYS   8   7.322   6.510  -3.719
   75    HE2  LYS   8           HE2      LYS   8   5.489   6.988  -2.485
   76    HE3  LYS   8           HE3      LYS   8   5.725   8.731  -2.615
   77    HZ1  LYS   8           HZ1      LYS   8   3.919   7.163  -4.015
   78    HZ2  LYS   8           HZ2      LYS   8   5.077   7.658  -5.144
   79    HZ3  LYS   8           HZ3      LYS   8   4.237   8.810  -4.234
   80    H    CYS   9           H        CYS   9  11.730   6.420  -2.960
   81    HA   CYS   9           HA       CYS   9  14.017   7.638  -4.364
   82    HB2  CYS   9           HB2      CYS   9  13.239   7.851  -1.622
   83    HB3  CYS   9           HB3      CYS   9  14.755   6.963  -1.702
   84    HG   CYS   9           HG       CYS   9  15.227   9.403  -3.708
   85    HA   PRO  10           HA       PRO  10  15.056   3.356  -5.050
   86    HB2  PRO  10           HB2      PRO  10  17.324   3.853  -6.455
   87    HB3  PRO  10           HB3      PRO  10  15.708   4.009  -7.153
   88    HG2  PRO  10           HG2      PRO  10  17.518   6.135  -6.074
   89    HG3  PRO  10           HG3      PRO  10  16.526   6.149  -7.545
   90    HD2  PRO  10           HD2      PRO  10  15.763   7.387  -5.260
   91    HD3  PRO  10           HD3      PRO  10  14.599   6.667  -6.391
   92    H    LEU  11           H        LEU  11  15.741   4.639  -2.521
   93    HA   LEU  11           HA       LEU  11  18.538   3.979  -2.082
   94    HB2  LEU  11           HB2      LEU  11  16.389   5.296  -0.489
   95    HB3  LEU  11           HB3      LEU  11  17.780   4.612   0.348
   96    HG   LEU  11           HG       LEU  11  18.314   6.467  -1.907
   97   HD11  LEU  11          HD11      LEU  11  17.390   8.283  -1.025
   98   HD12  LEU  11          HD12      LEU  11  18.032   7.911   0.575
   99   HD13  LEU  11          HD13      LEU  11  16.496   7.215   0.057
  100   HD21  LEU  11          HD21      LEU  11  20.139   5.390  -0.707
  101   HD22  LEU  11          HD22      LEU  11  19.546   6.055   0.816
  102   HD23  LEU  11          HD23      LEU  11  20.154   7.133  -0.440
  103    H    PHE  12           H        PHE  12  15.344   2.749  -1.306
  104    HA   PHE  12           HA       PHE  12  16.579   0.474   0.092
  105    HB2  PHE  12           HB2      PHE  12  14.273   2.067   0.662
  106    HB3  PHE  12           HB3      PHE  12  13.751   0.413   0.359
  107    HD1  PHE  12           HD1      PHE  12  13.392  -0.723   2.313
  108    HD2  PHE  12           HD2      PHE  12  16.703   1.940   2.061
  109    HE1  PHE  12           HE1      PHE  12  14.068  -1.353   4.593
  110    HE2  PHE  12           HE2      PHE  12  17.385   1.313   4.340
  111    HZ   PHE  12           HZ       PHE  12  16.068  -0.336   5.609
  112    H    GLY  13           H        GLY  13  14.673   1.419  -2.648
  113    HA2  GLY  13           HA2      GLY  13  13.633  -1.150  -3.294
  114    HA3  GLY  13           HA3      GLY  13  13.746   0.225  -4.382
  115    H    LYS  14           H        LYS  14  15.501   0.426  -5.750
  116    HA   LYS  14           HA       LYS  14  16.704  -1.934  -6.646
  117    HB2  LYS  14           HB2      LYS  14  17.936  -0.581  -8.161
  118    HB3  LYS  14           HB3      LYS  14  16.380   0.213  -7.944
  119    HG2  LYS  14           HG2      LYS  14  17.410   1.772  -6.356
  120    HG3  LYS  14           HG3      LYS  14  18.970   0.988  -6.615
  121    HD2  LYS  14           HD2      LYS  14  17.333   2.279  -8.795
  122    HD3  LYS  14           HD3      LYS  14  18.652   3.079  -7.934
  123    HE2  LYS  14           HE2      LYS  14  20.115   2.165  -9.328
  124    HE3  LYS  14           HE3      LYS  14  19.596   0.557  -8.824
  125    HZ1  LYS  14           HZ1      LYS  14  18.836   2.102 -11.186
  126    HZ2  LYS  14           HZ2      LYS  14  17.654   1.107 -10.497
  127    HZ3  LYS  14           HZ3      LYS  14  19.116   0.441 -11.025
  128    H    GLY  15           H        GLY  15  17.622   0.270  -4.144
  129    HA2  GLY  15           HA2      GLY  15  20.276  -0.996  -3.954
  130    HA3  GLY  15           HA3      GLY  15  19.841   0.551  -3.244
  131    H    GLY  16           H        GLY  16  17.852  -2.341  -3.064
  132    HA2  GLY  16           HA2      GLY  16  17.976  -2.181  -0.153
  133    HA3  GLY  16           HA3      GLY  16  16.841  -3.136  -1.096
  134    H1   LYS   1           H        LYS   1  18.471   2.418   5.752
  135    HA   LYS   1           HA       LYS   1  17.587   5.064   6.704
  136    HB2  LYS   1           HB2      LYS   1  19.079   4.207   4.261
  137    HB3  LYS   1           HB3      LYS   1  18.021   5.607   4.155
  138    HG2  LYS   1           HG2      LYS   1  19.305   6.858   5.604
  139    HG3  LYS   1           HG3      LYS   1  20.036   5.435   6.351
  140    HD2  LYS   1           HD2      LYS   1  21.131   5.015   4.087
  141    HD3  LYS   1           HD3      LYS   1  20.634   6.656   3.668
  142    HE2  LYS   1           HE2      LYS   1  22.856   6.818   4.461
  143    HE3  LYS   1           HE3      LYS   1  21.824   7.417   5.759
  144    HZ1  LYS   1           HZ1      LYS   1  22.618   5.874   7.112
  145    HZ2  LYS   1           HZ2      LYS   1  23.717   5.408   5.914
  146    HZ3  LYS   1           HZ3      LYS   1  22.219   4.631   6.035
  147    H    TYR   2           H        TYR   2  15.426   4.700   6.975
  148    HA   TYR   2           HA       TYR   2  13.933   3.856   4.578
  149    HB2  TYR   2           HB2      TYR   2  12.170   3.409   6.601
  150    HB3  TYR   2           HB3      TYR   2  13.234   2.180   5.924
  151    HD1  TYR   2           HD1      TYR   2  15.272   1.505   7.125
  152    HD2  TYR   2           HD2      TYR   2  12.531   4.291   8.807
  153    HE1  TYR   2           HE1      TYR   2  16.299   1.173   9.335
  154    HE2  TYR   2           HE2      TYR   2  13.551   3.968  11.021
  155    HH   TYR   2           HH       TYR   2  14.871   2.333  12.218
  156    H    GLU   3           H        GLU   3  13.636   5.751   7.582
  157    HA   GLU   3           HA       GLU   3  11.368   7.202   6.921
  158    HB2  GLU   3           HB2      GLU   3  12.268   8.937   8.503
  159    HB3  GLU   3           HB3      GLU   3  12.202   7.305   9.153
  160    HG2  GLU   3           HG2      GLU   3  14.613   7.057   8.626
  161    HG3  GLU   3           HG3      GLU   3  14.637   8.752   8.142
  162    H    ILE   4           H        ILE   4  14.770   7.970   6.267
  163    HA   ILE   4           HA       ILE   4  14.244  10.448   4.986
  164    HB   ILE   4           HB       ILE   4  16.531  10.433   4.285
  165   HG12  ILE   4          HG12      ILE   4  17.644   8.032   5.134
  166   HG13  ILE   4          HG13      ILE   4  16.151   7.544   4.339
  167   HG21  ILE   4          HG21      ILE   4  16.225   9.143   6.992
  168   HG22  ILE   4          HG22      ILE   4  17.687   9.944   6.418
  169   HG23  ILE   4          HG23      ILE   4  16.200  10.869   6.632
  170   HD11  ILE   4          HD11      ILE   4  17.986   7.523   2.775
  171   HD12  ILE   4          HD12      ILE   4  16.838   8.789   2.339
  172   HD13  ILE   4          HD13      ILE   4  18.352   9.208   3.141
  173    H    THR   5           H        THR   5  13.562   7.338   4.034
  174    HA   THR   5           HA       THR   5  13.884   7.913   1.174
  175    HB   THR   5           HB       THR   5  13.194   5.314   2.559
  176    HG1  THR   5           HG1      THR   5  15.570   6.497   1.685
  177   HG21  THR   5          HG21      THR   5  12.198   5.495   0.310
  178   HG22  THR   5          HG22      THR   5  13.471   4.275   0.376
  179   HG23  THR   5          HG23      THR   5  13.792   5.849  -0.352
  180    H    THR   6           H        THR   6  11.512   7.559   3.665
  181    HA   THR   6           HA       THR   6   9.352   7.638   1.666
  182    HB   THR   6           HB       THR   6   8.133   7.248   4.123
  183    HG1  THR   6           HG1      THR   6   9.960   6.699   5.225
  184   HG21  THR   6          HG21      THR   6   8.839   5.540   1.792
  185   HG22  THR   6          HG22      THR   6   7.256   5.999   2.417
  186   HG23  THR   6          HG23      THR   6   8.197   4.751   3.232
  187    H    ILE   7           H        ILE   7  11.107   9.617   3.651
  188    HA   ILE   7           HA       ILE   7   8.851  11.440   4.139
  189    HB   ILE   7           HB       ILE   7  11.595  11.349   5.391
  190   HG12  ILE   7          HG12      ILE   7   8.843  10.991   6.596
  191   HG13  ILE   7          HG13      ILE   7   9.942   9.677   6.194
  192   HG21  ILE   7          HG21      ILE   7  10.052  13.148   6.820
  193   HG22  ILE   7          HG22      ILE   7  11.378  13.538   5.725
  194   HG23  ILE   7          HG23      ILE   7   9.717  13.537   5.133
  195   HD11  ILE   7          HD11      ILE   7   9.959  11.533   8.468
  196   HD12  ILE   7          HD12      ILE   7  10.513   9.862   8.353
  197   HD13  ILE   7          HD13      ILE   7  11.535  11.173   7.764
  198    H    HIS   8           H        HIS   8  12.044  11.191   2.682
  199    HA   HIS   8           HA       HIS   8  12.347  13.897   1.961
  200    HB2  HIS   8           HB2      HIS   8  14.090  11.989   1.944
  201    HB3  HIS   8           HB3      HIS   8  13.461  11.620   0.341
  202    HD1  HIS   8           HD1      HIS   8  13.656  13.641  -1.439
  203    HD2  HIS   8           HD2      HIS   8  15.949  13.980   2.009
  204    HE1  HIS   8           HE1      HIS   8  15.399  15.379  -1.958
  205    H    ASN   9           H        ASN   9  10.685  11.213   0.444
  206    HA   ASN   9           HA       ASN   9   9.955  12.945  -1.818
  207    HB2  ASN   9           HB2      ASN   9   9.633   9.946  -1.586
  208    HB3  ASN   9           HB3      ASN   9   9.389  10.925  -3.030
  209   HD21  ASN   9          HD21      ASN   9  10.995  10.911  -4.411
  210   HD22  ASN   9          HD22      ASN   9  12.658  10.623  -4.043
  211    H    LEU  10           H        LEU  10   8.800  12.808   0.991
  212    HA   LEU  10           HA       LEU  10   6.001  12.332   0.202
  213    HB2  LEU  10           HB2      LEU  10   6.328  10.751   1.838
  214    HB3  LEU  10           HB3      LEU  10   7.478  11.752   2.723
  215    HG   LEU  10           HG       LEU  10   5.552  13.177   3.448
  216   HD11  LEU  10          HD11      LEU  10   3.928  10.935   2.255
  217   HD12  LEU  10          HD12      LEU  10   3.991  12.598   1.673
  218   HD13  LEU  10          HD13      LEU  10   3.302  12.244   3.258
  219   HD21  LEU  10          HD21      LEU  10   6.572  11.001   4.594
  220   HD22  LEU  10          HD22      LEU  10   4.920  10.429   4.362
  221   HD23  LEU  10          HD23      LEU  10   5.223  11.896   5.295
  222    H    PHE  11           H        PHE  11   8.296  14.471   1.702
  223    HA   PHE  11           HA       PHE  11   6.639  16.277   2.992
  224    HB2  PHE  11           HB2      PHE  11   9.342  16.348   1.824
  225    HB3  PHE  11           HB3      PHE  11   8.558  17.919   1.952
  226    HD1  PHE  11           HD1      PHE  11   7.946  15.159   4.296
  227    HD2  PHE  11           HD2      PHE  11  10.028  18.806   3.605
  228    HE1  PHE  11           HE1      PHE  11   8.551  15.262   6.679
  229    HE2  PHE  11           HE2      PHE  11  10.637  18.914   5.987
  230    HZ   PHE  11           HZ       PHE  11   9.899  17.140   7.527
  231    H    ARG  12           H        ARG  12   7.055  15.709  -0.387
  232    HA   ARG  12           HA       ARG  12   6.116  18.215  -1.339
  233    HB2  ARG  12           HB2      ARG  12   6.773  15.589  -2.477
  234    HB3  ARG  12           HB3      ARG  12   5.488  16.435  -3.328
  235    HG2  ARG  12           HG2      ARG  12   6.929  18.352  -3.663
  236    HG3  ARG  12           HG3      ARG  12   8.212  17.570  -2.738
  237    HD2  ARG  12           HD2      ARG  12   7.697  15.659  -4.573
  238    HD3  ARG  12           HD3      ARG  12   7.309  17.105  -5.504
  239    HE   ARG  12           HE       ARG  12   9.764  17.530  -4.256
  240   HH11  ARG  12          HH11      ARG  12   8.377  15.455  -6.684
  241   HH12  ARG  12          HH12      ARG  12   9.864  15.261  -7.553
  242   HH21  ARG  12          HH21      ARG  12  11.727  17.283  -5.392
  243   HH22  ARG  12          HH22      ARG  12  11.767  16.300  -6.817
  244    H    LYS  13           H        LYS  13   4.527  15.053  -0.944
  245    HA   LYS  13           HA       LYS  13   1.942  16.467  -0.906
  246    HB2  LYS  13           HB2      LYS  13   2.772  13.978  -2.326
  247    HB3  LYS  13           HB3      LYS  13   1.129  14.070  -1.705
  248    HG2  LYS  13           HG2      LYS  13   0.642  15.973  -3.043
  249    HG3  LYS  13           HG3      LYS  13   2.335  16.157  -3.503
  250    HD2  LYS  13           HD2      LYS  13   2.121  13.808  -4.507
  251    HD3  LYS  13           HD3      LYS  13   0.378  14.041  -4.349
  252    HE2  LYS  13           HE2      LYS  13   1.830  16.269  -5.603
  253    HE3  LYS  13           HE3      LYS  13   1.839  14.763  -6.519
  254    HZ1  LYS  13           HZ1      LYS  13  -0.423  16.482  -5.793
  255    HZ2  LYS  13           HZ2      LYS  13  -0.696  14.823  -5.974
  256    HZ3  LYS  13           HZ3      LYS  13  -0.078  15.724  -7.265
  257    H    LEU  14           H        LEU  14   2.842  16.420   1.460
  258    HA   LEU  14           HA       LEU  14   2.944  14.198   3.051
  259    HB2  LEU  14           HB2      LEU  14   2.441  15.589   4.902
  260    HB3  LEU  14           HB3      LEU  14   3.339  16.564   3.742
  261    HG   LEU  14           HG       LEU  14   0.852  17.228   3.015
  262   HD11  LEU  14          HD11      LEU  14   0.674  16.292   5.850
  263   HD12  LEU  14          HD12      LEU  14  -0.448  16.032   4.513
  264   HD13  LEU  14          HD13      LEU  14  -0.334  17.619   5.274
  265   HD21  LEU  14          HD21      LEU  14   1.257  19.276   4.000
  266   HD22  LEU  14          HD22      LEU  14   2.879  18.588   3.913
  267   HD23  LEU  14          HD23      LEU  14   1.990  18.559   5.436
  268    H    THR  15           H        THR  15   0.175  15.568   1.505
  269    HA   THR  15           HA       THR  15  -2.003  14.899   2.908
  270    HB   THR  15           HB       THR  15  -2.307  15.735   0.698
  271    HG1  THR  15           HG1      THR  15  -3.300  13.099   0.451
  272   HG21  THR  15          HG21      THR  15  -0.288  14.593  -0.260
  273   HG22  THR  15          HG22      THR  15  -1.709  14.567  -1.305
  274   HG23  THR  15          HG23      THR  15  -1.257  13.127  -0.394
  275    H    HIS  16           H        HIS  16  -0.052  12.554   1.084
  276    HA   HIS  16           HA       HIS  16  -1.602  10.344   2.167
  277    HB2  HIS  16           HB2      HIS  16   0.035   8.969   0.781
  278    HB3  HIS  16           HB3      HIS  16  -1.027  10.052  -0.112
  279    HD1  HIS  16           HD1      HIS  16   2.536   9.958   1.194
  280    HD2  HIS  16           HD2      HIS  16   0.270  11.750  -1.791
  281    HE1  HIS  16           HE1      HIS  16   4.182  11.206  -0.241
  282    H    ARG  17           H        ARG  17  -1.074   9.273   3.950
  283    HA   ARG  17           HA       ARG  17   1.472   9.848   5.244
  284    HB2  ARG  17           HB2      ARG  17  -1.082   8.539   6.150
  285    HB3  ARG  17           HB3      ARG  17   0.389   8.440   7.110
  286    HG2  ARG  17           HG2      ARG  17  -0.937  11.004   6.253
  287    HG3  ARG  17           HG3      ARG  17  -1.123  10.243   7.834
  288    HD2  ARG  17           HD2      ARG  17   1.411  10.367   8.015
  289    HD3  ARG  17           HD3      ARG  17   1.352  11.439   6.616
  290    HE   ARG  17           HE       ARG  17   0.630  12.080   9.317
  291   HH11  ARG  17          HH11      ARG  17   0.093  12.858   5.966
  292   HH12  ARG  17          HH12      ARG  17  -0.414  14.483   6.289
  293   HH21  ARG  17          HH21      ARG  17  -0.036  14.216   9.755
  294   HH22  ARG  17          HH22      ARG  17  -0.487  15.254   8.445
  295    H    LEU  18           H        LEU  18   1.242   8.099   2.848
  296    HA   LEU  18           HA       LEU  18   1.415   5.409   3.322
  297    HB2  LEU  18           HB2      LEU  18   2.875   5.270   1.365
  298    HB3  LEU  18           HB3      LEU  18   1.508   6.350   1.097
  299    HG   LEU  18           HG       LEU  18   3.213   8.219   1.731
  300   HD11  LEU  18          HD11      LEU  18   4.869   5.886   1.764
  301   HD12  LEU  18          HD12      LEU  18   5.287   7.557   2.141
  302   HD13  LEU  18          HD13      LEU  18   5.399   6.974   0.481
  303   HD21  LEU  18          HD21      LEU  18   3.848   8.423  -0.615
  304   HD22  LEU  18          HD22      LEU  18   2.154   7.957  -0.456
  305   HD23  LEU  18          HD23      LEU  18   3.362   6.751  -0.900
  306    H    PHE  19           H        PHE  19   3.675   7.879   4.214
  307    HA   PHE  19           HA       PHE  19   6.027   6.455   4.519
  308    HB2  PHE  19           HB2      PHE  19   6.116   8.798   4.851
  309    HB3  PHE  19           HB3      PHE  19   4.868   8.749   6.091
  310    HD1  PHE  19           HD1      PHE  19   7.763   6.471   5.871
  311    HD2  PHE  19           HD2      PHE  19   6.026   9.821   7.840
  312    HE1  PHE  19           HE1      PHE  19   9.501   6.346   7.608
  313    HE2  PHE  19           HE2      PHE  19   7.762   9.701   9.580
  314    HZ   PHE  19           HZ       PHE  19   9.503   7.963   9.465
  315    H    ARG  20           H        ARG  20   3.454   6.926   6.937
  316    HA   ARG  20           HA       ARG  20   4.579   4.676   8.462
  317    HB2  ARG  20           HB2      ARG  20   3.115   5.589  10.326
  318    HB3  ARG  20           HB3      ARG  20   4.483   6.587   9.853
  319    HG2  ARG  20           HG2      ARG  20   3.014   8.018   8.550
  320    HG3  ARG  20           HG3      ARG  20   1.636   6.999   8.968
  321    HD2  ARG  20           HD2      ARG  20   3.278   8.113  11.180
  322    HD3  ARG  20           HD3      ARG  20   2.208   9.211  10.310
  323    HE   ARG  20           HE       ARG  20   0.750   6.928  11.002
  324   HH11  ARG  20          HH11      ARG  20   2.312   9.639  12.531
  325   HH12  ARG  20          HH12      ARG  20   1.237   9.659  13.890
  326   HH21  ARG  20          HH21      ARG  20  -0.672   6.946  12.786
  327   HH22  ARG  20          HH22      ARG  20  -0.460   8.126  14.034
  328    H    ARG  21           H        ARG  21   1.584   6.006   7.140
  329    HA   ARG  21           HA       ARG  21  -0.161   4.005   8.050
  330    HB2  ARG  21           HB2      ARG  21  -0.259   5.870   5.687
  331    HB3  ARG  21           HB3      ARG  21  -1.552   4.727   6.023
  332    HG2  ARG  21           HG2      ARG  21  -0.596   6.887   7.892
  333    HG3  ARG  21           HG3      ARG  21  -2.049   6.954   6.892
  334    HD2  ARG  21           HD2      ARG  21  -2.447   4.613   8.174
  335    HD3  ARG  21           HD3      ARG  21  -1.531   5.490   9.398
  336    HE   ARG  21           HE       ARG  21  -4.233   5.942   8.649
  337   HH11  ARG  21          HH11      ARG  21  -1.338   7.567   9.697
  338   HH12  ARG  21          HH12      ARG  21  -2.188   8.890  10.425
  339   HH21  ARG  21          HH21      ARG  21  -5.363   7.679   9.603
  340   HH22  ARG  21          HH22      ARG  21  -4.477   8.952  10.372
  341    H    ASN  22           H        ASN  22   2.283   3.921   5.674
  342    HA   ASN  22           HA       ASN  22   1.264   1.334   4.701
  343    HB2  ASN  22           HB2      ASN  22   1.450   3.461   3.096
  344    HB3  ASN  22           HB3      ASN  22   3.119   2.909   2.985
  345   HD21  ASN  22          HD21      ASN  22   2.759   2.463   0.776
  346   HD22  ASN  22          HD22      ASN  22   1.916   1.037   0.283
  347    H    PHE  23           H        PHE  23   4.264   3.255   4.898
  348    HA   PHE  23           HA       PHE  23   5.820   0.813   5.174
  349    HB2  PHE  23           HB2      PHE  23   6.563   3.718   4.855
  350    HB3  PHE  23           HB3      PHE  23   7.760   2.477   5.213
  351    HD1  PHE  23           HD1      PHE  23   5.569   3.904   2.692
  352    HD2  PHE  23           HD2      PHE  23   8.281   0.742   3.570
  353    HE1  PHE  23           HE1      PHE  23   5.750   3.396   0.291
  354    HE2  PHE  23           HE2      PHE  23   8.465   0.230   1.171
  355    HZ   PHE  23           HZ       PHE  23   7.200   1.558  -0.473
  356    H    GLY  24           H        GLY  24   3.965   2.129   7.275
  357    HA2  GLY  24           HA2      GLY  24   5.954   2.257   9.453
  358    HA3  GLY  24           HA3      GLY  24   4.396   3.068   9.486
  359    H    TYR  25           H        TYR  25   3.202   0.560   8.246
  360    HA   TYR  25           HA       TYR  25   2.516  -0.680  10.749
  361    HB2  TYR  25           HB2      TYR  25   1.282  -0.392   8.249
  362    HB3  TYR  25           HB3      TYR  25   1.570  -2.120   8.424
  363    HD1  TYR  25           HD1      TYR  25   0.415  -3.410  10.109
  364    HD2  TYR  25           HD2      TYR  25  -0.201   0.788   9.793
  365    HE1  TYR  25           HE1      TYR  25  -1.562  -3.597  11.560
  366    HE2  TYR  25           HE2      TYR  25  -2.179   0.613  11.246
  367    HH   TYR  25           HH       TYR  25  -3.636  -2.344  12.015
  368    H    THR  26           H        THR  26   4.936  -1.146   8.457
  369    HA   THR  26           HA       THR  26   5.241  -3.992   9.100
  370    HB   THR  26           HB       THR  26   6.146  -2.281   6.849
  371    HG1  THR  26           HG1      THR  26   4.556  -3.705   6.347
  372   HG21  THR  26          HG21      THR  26   8.290  -2.992   7.708
  373   HG22  THR  26          HG22      THR  26   7.914  -3.919   6.255
  374   HG23  THR  26          HG23      THR  26   7.721  -4.655   7.846
  375    H    LEU  27           H        LEU  27   7.238  -1.045   8.876
  376    HA   LEU  27           HA       LEU  27   9.419  -2.193  10.309
  377    HB2  LEU  27           HB2      LEU  27   8.924   0.153   8.828
  378    HB3  LEU  27           HB3      LEU  27   9.427   0.666  10.437
  379    HG   LEU  27           HG       LEU  27  10.985  -1.131   8.579
  380   HD11  LEU  27          HD11      LEU  27  12.365   0.670   8.111
  381   HD12  LEU  27          HD12      LEU  27  11.807   1.593   9.506
  382   HD13  LEU  27          HD13      LEU  27  10.758   1.398   8.101
  383   HD21  LEU  27          HD21      LEU  27  11.443  -1.778  10.829
  384   HD22  LEU  27          HD22      LEU  27  11.576  -0.098  11.348
  385   HD23  LEU  27          HD23      LEU  27  12.794  -0.789  10.273
  386    H    ARG  28           H        ARG  28   6.448  -1.440  11.375
  387    HA   ARG  28           HA       ARG  28   6.699   0.137  13.623
  388    HB2  ARG  28           HB2      ARG  28   4.790  -1.197  14.550
  389    HB3  ARG  28           HB3      ARG  28   4.532  -0.595  12.918
  390    HG2  ARG  28           HG2      ARG  28   4.910  -2.742  11.976
  391    HG3  ARG  28           HG3      ARG  28   5.482  -3.382  13.517
  392    HD2  ARG  28           HD2      ARG  28   2.990  -2.418  14.145
  393    HD3  ARG  28           HD3      ARG  28   2.761  -3.045  12.514
  394    HE   ARG  28           HE       ARG  28   4.107  -5.019  13.853
  395   HH11  ARG  28          HH11      ARG  28   1.112  -3.303  14.298
  396   HH12  ARG  28          HH12      ARG  28   0.318  -4.627  15.084
  397   HH21  ARG  28          HH21      ARG  28   3.074  -6.771  14.885
  398   HH22  ARG  28          HH22      ARG  28   1.436  -6.600  15.418
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1   1.749  -1.203  -0.332
    2    HA   VAL   1           HA       VAL   1   2.517  -2.160  -2.843
    3    HB   VAL   1           HB       VAL   1   0.752  -0.586  -3.644
    4   HG11  VAL   1          HG11      VAL   1   1.074   1.787  -3.500
    5   HG12  VAL   1          HG12      VAL   1   1.121   1.118  -1.868
    6   HG13  VAL   1          HG13      VAL   1   2.620   1.574  -2.679
    7   HG21  VAL   1          HG21      VAL   1   3.537   0.219  -4.471
    8   HG22  VAL   1          HG22      VAL   1   2.725  -1.250  -5.011
    9   HG23  VAL   1          HG23      VAL   1   2.064   0.329  -5.435
   10    H    ALA   2           H        ALA   2   4.635  -1.573  -3.392
   11    HA   ALA   2           HA       ALA   2   6.024   0.033  -1.347
   12    HB1  ALA   2           HB1      ALA   2   7.811  -1.419  -1.356
   13    HB2  ALA   2           HB2      ALA   2   6.457  -2.526  -1.593
   14    HB3  ALA   2           HB3      ALA   2   7.442  -2.032  -2.970
   15    H    ARG   3           H        ARG   3   5.341   1.808  -2.891
   16    HA   ARG   3           HA       ARG   3   7.284   2.045  -5.094
   17    HB2  ARG   3           HB2      ARG   3   5.745   3.203  -6.364
   18    HB3  ARG   3           HB3      ARG   3   4.696   2.083  -5.505
   19    HG2  ARG   3           HG2      ARG   3   4.281   3.895  -3.830
   20    HG3  ARG   3           HG3      ARG   3   5.154   4.992  -4.902
   21    HD2  ARG   3           HD2      ARG   3   3.318   3.693  -6.544
   22    HD3  ARG   3           HD3      ARG   3   2.433   4.035  -5.058
   23    HE   ARG   3           HE       ARG   3   2.532   6.277  -5.543
   24   HH11  ARG   3          HH11      ARG   3   4.705   4.533  -7.630
   25   HH12  ARG   3          HH12      ARG   3   5.025   5.895  -8.651
   26   HH21  ARG   3          HH21      ARG   3   2.946   8.078  -6.881
   27   HH22  ARG   3          HH22      ARG   3   4.025   7.912  -8.223
   28    H    GLY   4           H        GLY   4   6.301   3.275  -2.080
   29    HA2  GLY   4           HA2      GLY   4   7.396   5.930  -2.485
   30    HA3  GLY   4           HA3      GLY   4   6.728   5.292  -0.990
   31    H    TRP   5           H        TRP   5   8.728   2.937  -1.902
   32    HA   TRP   5           HA       TRP   5  11.046   4.142  -0.537
   33    HB2  TRP   5           HB2      TRP   5   9.702   1.502  -0.185
   34    HB3  TRP   5           HB3      TRP   5  11.449   1.579   0.029
   35    HD1  TRP   5           HD1      TRP   5   9.844   4.743   1.127
   36    HE1  TRP   5           HE1      TRP   5   9.696   4.822   3.696
   37    HE3  TRP   5           HE3      TRP   5  10.985  -0.133   2.157
   38    HZ2  TRP   5           HZ2      TRP   5  10.019   3.052   5.870
   39    HZ3  TRP   5           HZ3      TRP   5  11.045  -0.858   4.508
   40    HH2  TRP   5           HH2      TRP   5  10.573   0.702   6.324
   41    H    LYS   6           H        LYS   6   9.888   2.553  -3.313
   42    HA   LYS   6           HA       LYS   6  12.650   2.107  -4.241
   43    HB2  LYS   6           HB2      LYS   6  10.179   0.600  -5.117
   44    HB3  LYS   6           HB3      LYS   6  11.827   0.302  -5.654
   45    HG2  LYS   6           HG2      LYS   6  12.222  -1.026  -3.924
   46    HG3  LYS   6           HG3      LYS   6  11.657   0.196  -2.782
   47    HD2  LYS   6           HD2      LYS   6   9.457  -0.578  -2.858
   48    HD3  LYS   6           HD3      LYS   6   9.715  -1.442  -4.377
   49    HE2  LYS   6           HE2      LYS   6   9.717  -3.185  -2.883
   50    HE3  LYS   6           HE3      LYS   6  11.438  -2.806  -2.950
   51    HZ1  LYS   6           HZ1      LYS   6   9.708  -2.749  -0.727
   52    HZ2  LYS   6           HZ2      LYS   6  10.328  -1.196  -0.980
   53    HZ3  LYS   6           HZ3      LYS   6  11.381  -2.504  -0.772
   54    H    ARG   7           H        ARG   7   9.340   2.701  -5.430
   55    HA   ARG   7           HA       ARG   7  10.069   3.625  -7.969
   56    HB2  ARG   7           HB2      ARG   7   7.708   3.117  -6.725
   57    HB3  ARG   7           HB3      ARG   7   7.688   4.875  -6.751
   58    HG2  ARG   7           HG2      ARG   7   7.094   4.879  -8.882
   59    HG3  ARG   7           HG3      ARG   7   8.495   3.896  -9.313
   60    HD2  ARG   7           HD2      ARG   7   7.145   1.902  -8.481
   61    HD3  ARG   7           HD3      ARG   7   5.752   2.983  -8.496
   62    HE   ARG   7           HE       ARG   7   5.668   2.741 -10.759
   63   HH11  ARG   7          HH11      ARG   7   8.874   1.921  -9.677
   64   HH12  ARG   7          HH12      ARG   7   9.414   1.415 -11.243
   65   HH21  ARG   7          HH21      ARG   7   6.368   2.077 -12.826
   66   HH22  ARG   7          HH22      ARG   7   7.988   1.505 -13.034
   67    H    LYS   8           H        LYS   8   9.201   5.514  -5.071
   68    HA   LYS   8           HA       LYS   8   9.743   8.038  -6.149
   69    HB2  LYS   8           HB2      LYS   8   9.377   6.907  -3.445
   70    HB3  LYS   8           HB3      LYS   8  10.281   8.415  -3.515
   71    HG2  LYS   8           HG2      LYS   8   7.945   8.870  -3.145
   72    HG3  LYS   8           HG3      LYS   8   8.420   9.450  -4.743
   73    HD2  LYS   8           HD2      LYS   8   7.566   7.193  -5.606
   74    HD3  LYS   8           HD3      LYS   8   6.786   7.032  -4.030
   75    HE2  LYS   8           HE2      LYS   8   5.137   7.972  -5.394
   76    HE3  LYS   8           HE3      LYS   8   5.790   9.343  -4.497
   77    HZ1  LYS   8           HZ1      LYS   8   6.723   8.603  -7.210
   78    HZ2  LYS   8           HZ2      LYS   8   7.022  10.039  -6.369
   79    HZ3  LYS   8           HZ3      LYS   8   5.465   9.701  -6.939
   80    H    CYS   9           H        CYS   9  11.739   6.659  -3.561
   81    HA   CYS   9           HA       CYS   9  14.124   7.566  -5.036
   82    HB2  CYS   9           HB2      CYS   9  13.429   8.860  -2.912
   83    HB3  CYS   9           HB3      CYS   9  13.979   7.438  -2.033
   84    HG   CYS   9           HG       CYS   9  16.580   7.651  -3.382
   85    HA   PRO  10           HA       PRO  10  15.163   3.242  -4.797
   86    HB2  PRO  10           HB2      PRO  10  17.557   3.464  -6.058
   87    HB3  PRO  10           HB3      PRO  10  16.012   3.490  -6.917
   88    HG2  PRO  10           HG2      PRO  10  17.759   5.776  -6.092
   89    HG3  PRO  10           HG3      PRO  10  16.903   5.518  -7.624
   90    HD2  PRO  10           HD2      PRO  10  15.963   7.162  -5.688
   91    HD3  PRO  10           HD3      PRO  10  14.891   6.245  -6.766
   92    H    LEU  11           H        LEU  11  15.647   4.979  -2.501
   93    HA   LEU  11           HA       LEU  11  18.382   4.473  -1.692
   94    HB2  LEU  11           HB2      LEU  11  16.057   5.948  -0.581
   95    HB3  LEU  11           HB3      LEU  11  17.291   5.390   0.546
   96    HG   LEU  11           HG       LEU  11  17.863   7.143  -1.839
   97   HD11  LEU  11          HD11      LEU  11  16.340   8.040   0.095
   98   HD12  LEU  11          HD12      LEU  11  17.652   9.026  -0.550
   99   HD13  LEU  11          HD13      LEU  11  17.870   8.151   0.965
  100   HD21  LEU  11          HD21      LEU  11  19.713   7.348   0.326
  101   HD22  LEU  11          HD22      LEU  11  20.000   6.829  -1.335
  102   HD23  LEU  11          HD23      LEU  11  19.522   5.651  -0.112
  103    H    PHE  12           H        PHE  12  15.148   3.290  -0.933
  104    HA   PHE  12           HA       PHE  12  16.315   1.289   0.870
  105    HB2  PHE  12           HB2      PHE  12  14.342   2.792   1.564
  106    HB3  PHE  12           HB3      PHE  12  13.370   1.790   0.492
  107    HD1  PHE  12           HD1      PHE  12  14.745   2.130   3.751
  108    HD2  PHE  12           HD2      PHE  12  13.375  -0.734   0.916
  109    HE1  PHE  12           HE1      PHE  12  14.461   0.484   5.557
  110    HE2  PHE  12           HE2      PHE  12  13.088  -2.384   2.718
  111    HZ   PHE  12           HZ       PHE  12  13.630  -1.776   5.042
  112    H    GLY  13           H        GLY  13  14.726   1.696  -2.179
  113    HA2  GLY  13           HA2      GLY  13  13.872  -1.008  -2.507
  114    HA3  GLY  13           HA3      GLY  13  14.016   0.197  -3.778
  115    H    LYS  14           H        LYS  14  15.650   0.036  -5.190
  116    HA   LYS  14           HA       LYS  14  17.185  -2.274  -5.389
  117    HB2  LYS  14           HB2      LYS  14  18.330  -1.215  -7.193
  118    HB3  LYS  14           HB3      LYS  14  16.670  -0.638  -7.232
  119    HG2  LYS  14           HG2      LYS  14  17.506   1.379  -5.928
  120    HG3  LYS  14           HG3      LYS  14  19.131   0.826  -6.338
  121    HD2  LYS  14           HD2      LYS  14  17.961   0.722  -8.766
  122    HD3  LYS  14           HD3      LYS  14  17.053   2.050  -8.039
  123    HE2  LYS  14           HE2      LYS  14  18.911   3.027  -9.134
  124    HE3  LYS  14           HE3      LYS  14  19.272   3.066  -7.409
  125    HZ1  LYS  14           HZ1      LYS  14  20.920   1.539  -7.623
  126    HZ2  LYS  14           HZ2      LYS  14  21.013   2.216  -9.171
  127    HZ3  LYS  14           HZ3      LYS  14  20.199   0.752  -8.936
  128    H    GLY  15           H        GLY  15  17.748   0.630  -3.589
  129    HA2  GLY  15           HA2      GLY  15  20.543  -0.124  -3.098
  130    HA3  GLY  15           HA3      GLY  15  19.811   1.423  -2.700
  131    H    GLY  16           H        GLY  16  18.535  -1.792  -1.960
  132    HA2  GLY  16           HA2      GLY  16  17.858  -1.169   0.679
  133    HA3  GLY  16           HA3      GLY  16  18.038  -2.797   0.041
  134    H1   LYS   1           H        LYS   1  17.680   3.699   7.450
  135    HA   LYS   1           HA       LYS   1  18.336   6.115   5.900
  136    HB2  LYS   1           HB2      LYS   1  18.589   3.201   5.328
  137    HB3  LYS   1           HB3      LYS   1  18.232   4.275   3.981
  138    HG2  LYS   1           HG2      LYS   1  20.261   5.630   5.034
  139    HG3  LYS   1           HG3      LYS   1  20.691   4.017   5.609
  140    HD2  LYS   1           HD2      LYS   1  19.895   3.871   2.863
  141    HD3  LYS   1           HD3      LYS   1  21.124   5.123   3.052
  142    HE2  LYS   1           HE2      LYS   1  22.737   3.638   3.644
  143    HE3  LYS   1           HE3      LYS   1  21.600   2.564   4.458
  144    HZ1  LYS   1           HZ1      LYS   1  22.096   1.316   2.642
  145    HZ2  LYS   1           HZ2      LYS   1  22.385   2.650   1.641
  146    HZ3  LYS   1           HZ3      LYS   1  20.796   2.190   2.000
  147    H    TYR   2           H        TYR   2  15.919   3.652   6.506
  148    HA   TYR   2           HA       TYR   2  14.122   4.092   4.466
  149    HB2  TYR   2           HB2      TYR   2  12.357   3.525   6.269
  150    HB3  TYR   2           HB3      TYR   2  13.594   2.327   5.906
  151    HD1  TYR   2           HD1      TYR   2  15.169   1.644   7.558
  152    HD2  TYR   2           HD2      TYR   2  12.520   4.878   8.350
  153    HE1  TYR   2           HE1      TYR   2  15.804   1.575   9.933
  154    HE2  TYR   2           HE2      TYR   2  13.148   4.818  10.727
  155    HH   TYR   2           HH       TYR   2  15.222   2.290  12.017
  156    H    GLU   3           H        GLU   3  14.559   5.945   7.444
  157    HA   GLU   3           HA       GLU   3  12.360   7.600   7.360
  158    HB2  GLU   3           HB2      GLU   3  13.837   9.303   8.490
  159    HB3  GLU   3           HB3      GLU   3  13.809   7.715   9.243
  160    HG2  GLU   3           HG2      GLU   3  15.928   7.187   8.043
  161    HG3  GLU   3           HG3      GLU   3  15.973   8.863   7.499
  162    H    ILE   4           H        ILE   4  15.481   8.062   5.727
  163    HA   ILE   4           HA       ILE   4  14.739  10.507   4.479
  164    HB   ILE   4           HB       ILE   4  16.887   8.589   3.579
  165   HG12  ILE   4          HG12      ILE   4  18.096  10.642   5.000
  166   HG13  ILE   4          HG13      ILE   4  16.676  10.255   5.965
  167   HG21  ILE   4          HG21      ILE   4  16.621  10.172   1.894
  168   HG22  ILE   4          HG22      ILE   4  16.289  11.473   3.036
  169   HG23  ILE   4          HG23      ILE   4  17.926  10.836   2.877
  170   HD11  ILE   4          HD11      ILE   4  17.396   7.867   5.911
  171   HD12  ILE   4          HD12      ILE   4  18.894   8.403   5.148
  172   HD13  ILE   4          HD13      ILE   4  18.486   8.954   6.772
  173    H    THR   5           H        THR   5  13.659   7.424   3.965
  174    HA   THR   5           HA       THR   5  13.246   7.819   1.083
  175    HB   THR   5           HB       THR   5  12.271   5.288   2.118
  176    HG1  THR   5           HG1      THR   5  14.858   6.142   2.814
  177   HG21  THR   5          HG21      THR   5  13.497   6.356  -0.200
  178   HG22  THR   5          HG22      THR   5  12.818   4.743   0.030
  179   HG23  THR   5          HG23      THR   5  14.520   5.043   0.379
  180    H    THR   6           H        THR   6  11.661   7.981   4.091
  181    HA   THR   6           HA       THR   6   9.046   8.072   2.732
  182    HB   THR   6           HB       THR   6   8.587   6.306   4.083
  183    HG1  THR   6           HG1      THR   6   7.368   8.138   4.914
  184   HG21  THR   6          HG21      THR   6  10.628   5.735   5.002
  185   HG22  THR   6          HG22      THR   6   9.712   6.172   6.444
  186   HG23  THR   6          HG23      THR   6  10.855   7.318   5.745
  187    H    ILE   7           H        ILE   7  11.363   9.883   4.198
  188    HA   ILE   7           HA       ILE   7   9.399  11.855   5.169
  189    HB   ILE   7           HB       ILE   7  12.262  11.561   6.084
  190   HG12  ILE   7          HG12      ILE   7   9.721  10.903   7.587
  191   HG13  ILE   7          HG13      ILE   7  10.745   9.703   6.806
  192   HG21  ILE   7          HG21      ILE   7  10.222  13.617   6.433
  193   HG22  ILE   7          HG22      ILE   7  10.916  13.049   7.950
  194   HG23  ILE   7          HG23      ILE   7  11.966  13.693   6.688
  195   HD11  ILE   7          HD11      ILE   7  12.589  10.879   8.310
  196   HD12  ILE   7          HD12      ILE   7  11.171  11.236   9.295
  197   HD13  ILE   7          HD13      ILE   7  11.574   9.564   8.903
  198    H    HIS   8           H        HIS   8  11.809  11.172   2.893
  199    HA   HIS   8           HA       HIS   8  11.946  14.016   2.140
  200    HB2  HIS   8           HB2      HIS   8  14.092  12.201   2.728
  201    HB3  HIS   8           HB3      HIS   8  14.184  12.683   1.036
  202    HD1  HIS   8           HD1      HIS   8  13.337  15.606   1.230
  203    HD2  HIS   8           HD2      HIS   8  15.960  13.789   3.891
  204    HE1  HIS   8           HE1      HIS   8  14.689  17.479   2.225
  205    H    ASN   9           H        ASN   9  10.652  11.156   1.325
  206    HA   ASN   9           HA       ASN   9  11.135  11.326  -1.544
  207    HB2  ASN   9           HB2      ASN   9   9.850   9.319   0.269
  208    HB3  ASN   9           HB3      ASN   9   9.444   9.312  -1.444
  209   HD21  ASN   9          HD21      ASN   9  10.392   7.238  -1.587
  210   HD22  ASN   9          HD22      ASN   9  12.107   7.051  -1.669
  211    H    LEU  10           H        LEU  10   8.250  11.107   0.549
  212    HA   LEU  10           HA       LEU  10   6.851  12.845  -1.376
  213    HB2  LEU  10           HB2      LEU  10   4.776  11.627  -0.351
  214    HB3  LEU  10           HB3      LEU  10   5.698  10.895  -1.663
  215    HG   LEU  10           HG       LEU  10   6.409  10.185   1.141
  216   HD11  LEU  10          HD11      LEU  10   3.776   9.899   0.125
  217   HD12  LEU  10          HD12      LEU  10   4.445   9.291   1.639
  218   HD13  LEU  10          HD13      LEU  10   4.520   8.301   0.182
  219   HD21  LEU  10          HD21      LEU  10   7.372   8.362   0.193
  220   HD22  LEU  10          HD22      LEU  10   7.443   9.444  -1.198
  221   HD23  LEU  10          HD23      LEU  10   6.157   8.241  -1.080
  222    H    PHE  11           H        PHE  11   8.145  12.732   1.627
  223    HA   PHE  11           HA       PHE  11   6.045  14.117   3.055
  224    HB2  PHE  11           HB2      PHE  11   8.552  12.811   3.725
  225    HB3  PHE  11           HB3      PHE  11   8.400  14.372   4.526
  226    HD1  PHE  11           HD1      PHE  11   8.088  13.672   6.746
  227    HD2  PHE  11           HD2      PHE  11   5.630  12.085   3.655
  228    HE1  PHE  11           HE1      PHE  11   6.620  12.657   8.440
  229    HE2  PHE  11           HE2      PHE  11   4.157  11.068   5.344
  230    HZ   PHE  11           HZ       PHE  11   4.651  11.355   7.740
  231    H    ARG  12           H        ARG  12   8.469  14.963   0.883
  232    HA   ARG  12           HA       ARG  12   9.149  17.529   1.955
  233    HB2  ARG  12           HB2      ARG  12  10.343  17.887  -0.089
  234    HB3  ARG  12           HB3      ARG  12  10.594  16.212   0.387
  235    HG2  ARG  12           HG2      ARG  12   8.830  15.540  -1.215
  236    HG3  ARG  12           HG3      ARG  12   8.724  17.220  -1.746
  237    HD2  ARG  12           HD2      ARG  12  11.037  17.172  -2.461
  238    HD3  ARG  12           HD3      ARG  12  11.222  15.532  -1.840
  239    HE   ARG  12           HE       ARG  12   9.143  15.435  -3.650
  240   HH11  ARG  12          HH11      ARG  12  12.524  16.264  -3.699
  241   HH12  ARG  12          HH12      ARG  12  12.754  15.777  -5.346
  242   HH21  ARG  12          HH21      ARG  12   9.432  14.791  -5.820
  243   HH22  ARG  12          HH22      ARG  12  10.995  14.940  -6.552
  244    H    LYS  13           H        LYS  13   6.367  16.354   0.583
  245    HA   LYS  13           HA       LYS  13   5.573  19.036  -0.346
  246    HB2  LYS  13           HB2      LYS  13   5.215  16.378  -1.553
  247    HB3  LYS  13           HB3      LYS  13   3.756  17.359  -1.518
  248    HG2  LYS  13           HG2      LYS  13   5.832  19.041  -2.399
  249    HG3  LYS  13           HG3      LYS  13   5.997  17.519  -3.279
  250    HD2  LYS  13           HD2      LYS  13   4.451  18.402  -4.651
  251    HD3  LYS  13           HD3      LYS  13   3.308  17.916  -3.396
  252    HE2  LYS  13           HE2      LYS  13   2.892  20.039  -2.789
  253    HE3  LYS  13           HE3      LYS  13   4.584  20.514  -2.931
  254    HZ1  LYS  13           HZ1      LYS  13   2.448  20.641  -4.904
  255    HZ2  LYS  13           HZ2      LYS  13   3.977  20.210  -5.485
  256    HZ3  LYS  13           HZ3      LYS  13   3.766  21.675  -4.665
  257    H    LEU  14           H        LEU  14   3.822  16.044   0.465
  258    HA   LEU  14           HA       LEU  14   2.254  17.603   2.412
  259    HB2  LEU  14           HB2      LEU  14   1.421  15.631   0.341
  260    HB3  LEU  14           HB3      LEU  14   0.500  15.727   1.840
  261    HG   LEU  14           HG       LEU  14   0.122  18.149   1.370
  262   HD11  LEU  14          HD11      LEU  14   1.911  18.716  -0.059
  263   HD12  LEU  14          HD12      LEU  14   0.453  18.811  -1.047
  264   HD13  LEU  14          HD13      LEU  14   1.523  17.417  -1.187
  265   HD21  LEU  14          HD21      LEU  14  -1.343  17.590  -0.747
  266   HD22  LEU  14          HD22      LEU  14  -1.739  16.930   0.840
  267   HD23  LEU  14          HD23      LEU  14  -0.888  15.935  -0.342
  268    H    THR  15           H        THR  15   2.592  16.961   4.423
  269    HA   THR  15           HA       THR  15   3.610  14.267   4.930
  270    HB   THR  15           HB       THR  15   3.765  15.267   7.347
  271    HG1  THR  15           HG1      THR  15   3.014  17.251   7.373
  272   HG21  THR  15          HG21      THR  15   5.522  15.083   5.183
  273   HG22  THR  15          HG22      THR  15   5.947  15.307   6.881
  274   HG23  THR  15          HG23      THR  15   5.754  16.708   5.827
  275    H    HIS  16           H        HIS  16   1.939  12.857   4.980
  276    HA   HIS  16           HA       HIS  16  -0.286  13.469   6.813
  277    HB2  HIS  16           HB2      HIS  16  -0.297  11.715   4.349
  278    HB3  HIS  16           HB3      HIS  16  -1.657  11.917   5.449
  279    HD1  HIS  16           HD1      HIS  16  -1.426  15.028   5.764
  280    HD2  HIS  16           HD2      HIS  16  -1.381  12.963   2.159
  281    HE1  HIS  16           HE1      HIS  16  -2.165  16.691   4.028
  282    H    ARG  17           H        ARG  17  -0.600  10.376   5.752
  283    HA   ARG  17           HA       ARG  17   0.912   9.288   8.037
  284    HB2  ARG  17           HB2      ARG  17  -1.583   7.966   7.045
  285    HB3  ARG  17           HB3      ARG  17  -0.852   7.911   8.644
  286    HG2  ARG  17           HG2      ARG  17  -2.543   9.285   9.174
  287    HG3  ARG  17           HG3      ARG  17  -1.481  10.525   8.501
  288    HD2  ARG  17           HD2      ARG  17  -2.863  10.913   6.793
  289    HD3  ARG  17           HD3      ARG  17  -3.049   9.192   6.456
  290    HE   ARG  17           HE       ARG  17  -4.870  10.861   7.872
  291   HH11  ARG  17          HH11      ARG  17  -3.621   7.616   7.693
  292   HH12  ARG  17          HH12      ARG  17  -5.044   6.891   8.363
  293   HH21  ARG  17          HH21      ARG  17  -6.749   9.919   8.755
  294   HH22  ARG  17          HH22      ARG  17  -6.824   8.202   8.967
  295    H    LEU  18           H        LEU  18   2.331   9.339   5.845
  296    HA   LEU  18           HA       LEU  18   2.065   6.666   4.634
  297    HB2  LEU  18           HB2      LEU  18   3.553   8.983   3.432
  298    HB3  LEU  18           HB3      LEU  18   3.072   7.477   2.654
  299    HG   LEU  18           HG       LEU  18   0.894   9.211   3.666
  300   HD11  LEU  18          HD11      LEU  18   1.896   9.940   0.995
  301   HD12  LEU  18          HD12      LEU  18   2.849  10.521   2.360
  302   HD13  LEU  18          HD13      LEU  18   1.139  10.935   2.239
  303   HD21  LEU  18          HD21      LEU  18  -0.274   7.837   2.376
  304   HD22  LEU  18          HD22      LEU  18   1.213   6.993   1.943
  305   HD23  LEU  18          HD23      LEU  18   0.649   8.346   0.962
  306    H    PHE  19           H        PHE  19   3.472   7.627   7.131
  307    HA   PHE  19           HA       PHE  19   6.195   6.760   6.420
  308    HB2  PHE  19           HB2      PHE  19   6.228   8.995   7.328
  309    HB3  PHE  19           HB3      PHE  19   5.240   8.501   8.698
  310    HD1  PHE  19           HD1      PHE  19   7.999   6.470   7.384
  311    HD2  PHE  19           HD2      PHE  19   6.772   9.240  10.374
  312    HE1  PHE  19           HE1      PHE  19  10.039   5.979   8.671
  313    HE2  PHE  19           HE2      PHE  19   8.809   8.754  11.665
  314    HZ   PHE  19           HZ       PHE  19  10.446   7.123  10.815
  315    H    ARG  20           H        ARG  20   3.716   6.552   8.957
  316    HA   ARG  20           HA       ARG  20   4.895   3.979   9.779
  317    HB2  ARG  20           HB2      ARG  20   3.316   5.990  11.390
  318    HB3  ARG  20           HB3      ARG  20   3.752   4.388  11.972
  319    HG2  ARG  20           HG2      ARG  20   6.044   4.910  12.009
  320    HG3  ARG  20           HG3      ARG  20   5.807   6.364  11.039
  321    HD2  ARG  20           HD2      ARG  20   5.015   7.582  12.807
  322    HD3  ARG  20           HD3      ARG  20   4.388   6.162  13.643
  323    HE   ARG  20           HE       ARG  20   6.962   7.332  13.964
  324   HH11  ARG  20          HH11      ARG  20   5.259   4.295  13.987
  325   HH12  ARG  20          HH12      ARG  20   6.385   3.524  15.055
  326   HH21  ARG  20          HH21      ARG  20   8.451   6.327  15.370
  327   HH22  ARG  20          HH22      ARG  20   8.199   4.680  15.842
  328    H    ARG  21           H        ARG  21   1.974   5.687   8.899
  329    HA   ARG  21           HA       ARG  21   0.237   3.453   9.436
  330    HB2  ARG  21           HB2      ARG  21  -0.133   6.148   8.160
  331    HB3  ARG  21           HB3      ARG  21  -1.398   4.930   8.079
  332    HG2  ARG  21           HG2      ARG  21  -0.186   5.922  10.647
  333    HG3  ARG  21           HG3      ARG  21  -1.657   6.576   9.926
  334    HD2  ARG  21           HD2      ARG  21  -1.953   3.773   9.990
  335    HD3  ARG  21           HD3      ARG  21  -1.322   4.254  11.565
  336    HE   ARG  21           HE       ARG  21  -3.937   4.786  10.515
  337   HH11  ARG  21          HH11      ARG  21  -1.475   5.893  12.714
  338   HH12  ARG  21          HH12      ARG  21  -2.587   6.742  13.737
  339   HH21  ARG  21          HH21      ARG  21  -5.411   5.899  11.854
  340   HH22  ARG  21          HH22      ARG  21  -4.825   6.742  13.248
  341    H    ASN  22           H        ASN  22   2.402   4.206   6.998
  342    HA   ASN  22           HA       ASN  22   1.002   2.430   5.110
  343    HB2  ASN  22           HB2      ASN  22   1.189   4.822   4.351
  344    HB3  ASN  22           HB3      ASN  22   2.938   4.625   4.355
  345   HD21  ASN  22          HD21      ASN  22   0.187   4.434   2.519
  346   HD22  ASN  22          HD22      ASN  22   0.799   3.495   1.204
  347    H    PHE  23           H        PHE  23   4.237   3.646   5.985
  348    HA   PHE  23           HA       PHE  23   5.373   1.080   5.132
  349    HB2  PHE  23           HB2      PHE  23   6.587   3.798   5.602
  350    HB3  PHE  23           HB3      PHE  23   7.577   2.353   5.428
  351    HD1  PHE  23           HD1      PHE  23   7.784   1.232   3.300
  352    HD2  PHE  23           HD2      PHE  23   5.367   4.710   3.724
  353    HE1  PHE  23           HE1      PHE  23   7.701   1.467   0.853
  354    HE2  PHE  23           HE2      PHE  23   5.280   4.950   1.276
  355    HZ   PHE  23           HZ       PHE  23   6.447   3.327  -0.162
  356    H    GLY  24           H        GLY  24   3.961   1.921   7.761
  357    HA2  GLY  24           HA2      GLY  24   6.102   1.024   9.586
  358    HA3  GLY  24           HA3      GLY  24   4.753   2.038  10.072
  359    H    TYR  25           H        TYR  25   2.862   0.411   8.456
  360    HA   TYR  25           HA       TYR  25   2.220  -1.488  10.507
  361    HB2  TYR  25           HB2      TYR  25   0.839  -0.174   8.399
  362    HB3  TYR  25           HB3      TYR  25   0.644  -1.907   8.158
  363    HD1  TYR  25           HD1      TYR  25  -0.484  -3.278   9.858
  364    HD2  TYR  25           HD2      TYR  25  -0.178   0.946  10.269
  365    HE1  TYR  25           HE1      TYR  25  -2.238  -3.324  11.581
  366    HE2  TYR  25           HE2      TYR  25  -1.931   0.912  11.994
  367    HH   TYR  25           HH       TYR  25  -2.787  -1.017  13.709
  368    H    THR  26           H        THR  26   4.179  -1.573   7.775
  369    HA   THR  26           HA       THR  26   3.858  -4.465   7.408
  370    HB   THR  26           HB       THR  26   4.928  -2.275   5.709
  371    HG1  THR  26           HG1      THR  26   2.990  -3.076   5.068
  372   HG21  THR  26          HG21      THR  26   6.898  -3.670   5.900
  373   HG22  THR  26          HG22      THR  26   6.169  -3.904   4.311
  374   HG23  THR  26          HG23      THR  26   5.943  -5.116   5.573
  375    H    LEU  27           H        LEU  27   6.472  -2.070   7.804
  376    HA   LEU  27           HA       LEU  27   8.468  -4.020   8.339
  377    HB2  LEU  27           HB2      LEU  27   8.262  -1.090   8.329
  378    HB3  LEU  27           HB3      LEU  27   9.454  -1.745   9.450
  379    HG   LEU  27           HG       LEU  27  10.331  -1.084   7.191
  380   HD11  LEU  27          HD11      LEU  27  11.320  -3.594   6.933
  381   HD12  LEU  27          HD12      LEU  27  10.725  -3.630   8.593
  382   HD13  LEU  27          HD13      LEU  27  11.896  -2.406   8.102
  383   HD21  LEU  27          HD21      LEU  27   8.889  -3.568   6.275
  384   HD22  LEU  27          HD22      LEU  27   9.913  -2.509   5.304
  385   HD23  LEU  27          HD23      LEU  27   8.367  -1.922   5.919
  386    H    ARG  28           H        ARG  28   5.864  -3.178  10.135
  387    HA   ARG  28           HA       ARG  28   6.746  -2.744  12.719
  388    HB2  ARG  28           HB2      ARG  28   4.620  -3.638  13.466
  389    HB3  ARG  28           HB3      ARG  28   4.377  -2.684  12.009
  390    HG2  ARG  28           HG2      ARG  28   4.276  -4.732  10.681
  391    HG3  ARG  28           HG3      ARG  28   4.519  -5.689  12.144
  392    HD2  ARG  28           HD2      ARG  28   2.275  -3.722  12.010
  393    HD3  ARG  28           HD3      ARG  28   2.111  -5.288  11.216
  394    HE   ARG  28           HE       ARG  28   3.002  -5.562  13.906
  395   HH11  ARG  28          HH11      ARG  28   0.183  -4.975  11.949
  396   HH12  ARG  28          HH12      ARG  28  -0.923  -5.615  13.118
  397   HH21  ARG  28          HH21      ARG  28   1.555  -6.409  15.454
  398   HH22  ARG  28          HH22      ARG  28  -0.141  -6.430  15.111
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   1.062  -1.294  -0.523
    2    HA   VAL   1           HA       VAL   1   2.074  -2.186  -2.962
    3    HB   VAL   1           HB       VAL   1   2.080  -0.157  -4.321
    4   HG11  VAL   1          HG11      VAL   1  -0.136  -0.299  -5.141
    5   HG12  VAL   1          HG12      VAL   1   0.254  -1.893  -4.491
    6   HG13  VAL   1          HG13      VAL   1  -0.763  -0.786  -3.567
    7   HG21  VAL   1          HG21      VAL   1   1.822   1.765  -3.197
    8   HG22  VAL   1          HG22      VAL   1   0.092   1.467  -3.377
    9   HG23  VAL   1          HG23      VAL   1   0.920   0.991  -1.894
   10    H    ALA   2           H        ALA   2   4.236  -1.869  -3.032
   11    HA   ALA   2           HA       ALA   2   5.373   0.079  -1.132
   12    HB1  ALA   2           HB1      ALA   2   6.665  -2.526  -1.906
   13    HB2  ALA   2           HB2      ALA   2   7.127  -1.427  -0.606
   14    HB3  ALA   2           HB3      ALA   2   5.625  -2.343  -0.493
   15    H    ARG   3           H        ARG   3   5.238   1.500  -3.077
   16    HA   ARG   3           HA       ARG   3   7.534   1.048  -4.870
   17    HB2  ARG   3           HB2      ARG   3   5.481   2.994  -5.709
   18    HB3  ARG   3           HB3      ARG   3   6.344   1.788  -6.652
   19    HG2  ARG   3           HG2      ARG   3   4.046   1.204  -4.797
   20    HG3  ARG   3           HG3      ARG   3   3.923   1.375  -6.548
   21    HD2  ARG   3           HD2      ARG   3   5.956  -0.528  -5.585
   22    HD3  ARG   3           HD3      ARG   3   4.281  -0.980  -5.275
   23    HE   ARG   3           HE       ARG   3   5.618  -1.037  -7.778
   24   HH11  ARG   3          HH11      ARG   3   2.528  -0.397  -6.306
   25   HH12  ARG   3          HH12      ARG   3   1.621  -0.813  -7.722
   26   HH21  ARG   3          HH21      ARG   3   4.434  -1.587  -9.649
   27   HH22  ARG   3          HH22      ARG   3   2.706  -1.490  -9.623
   28    H    GLY   4           H        GLY   4   6.160   3.046  -2.476
   29    HA2  GLY   4           HA2      GLY   4   7.467   5.491  -3.219
   30    HA3  GLY   4           HA3      GLY   4   6.684   5.151  -1.683
   31    H    TRP   5           H        TRP   5   8.579   2.620  -1.846
   32    HA   TRP   5           HA       TRP   5  10.903   4.017  -0.690
   33    HB2  TRP   5           HB2      TRP   5   9.389   1.606   0.217
   34    HB3  TRP   5           HB3      TRP   5  11.120   1.677   0.533
   35    HD1  TRP   5           HD1      TRP   5   9.615   5.069   0.679
   36    HE1  TRP   5           HE1      TRP   5   9.308   5.803   3.126
   37    HE3  TRP   5           HE3      TRP   5  10.435   0.579   2.983
   38    HZ2  TRP   5           HZ2      TRP   5   9.402   4.636   5.694
   39    HZ3  TRP   5           HZ3      TRP   5  10.309   0.474   5.438
   40    HH2  TRP   5           HH2      TRP   5   9.804   2.462   6.764
   41    H    LYS   6           H        LYS   6   9.852   2.111  -3.206
   42    HA   LYS   6           HA       LYS   6  12.558   1.027  -3.652
   43    HB2  LYS   6           HB2      LYS   6  11.159  -0.850  -3.462
   44    HB3  LYS   6           HB3      LYS   6   9.849  -0.075  -4.343
   45    HG2  LYS   6           HG2      LYS   6  12.295  -0.372  -5.907
   46    HG3  LYS   6           HG3      LYS   6  11.594  -1.902  -5.373
   47    HD2  LYS   6           HD2      LYS   6   9.390  -0.518  -6.221
   48    HD3  LYS   6           HD3      LYS   6  10.630   0.023  -7.356
   49    HE2  LYS   6           HE2      LYS   6  10.033  -2.865  -6.726
   50    HE3  LYS   6           HE3      LYS   6   9.369  -1.991  -8.106
   51    HZ1  LYS   6           HZ1      LYS   6  12.278  -2.295  -7.613
   52    HZ2  LYS   6           HZ2      LYS   6  11.528  -1.715  -9.013
   53    HZ3  LYS   6           HZ3      LYS   6  11.384  -3.348  -8.591
   54    H    ARG   7           H        ARG   7   9.685   2.358  -5.259
   55    HA   ARG   7           HA       ARG   7  11.189   2.857  -7.692
   56    HB2  ARG   7           HB2      ARG   7   8.891   2.104  -7.910
   57    HB3  ARG   7           HB3      ARG   7   8.324   3.458  -6.942
   58    HG2  ARG   7           HG2      ARG   7   9.883   4.245  -9.284
   59    HG3  ARG   7           HG3      ARG   7   8.390   3.383  -9.662
   60    HD2  ARG   7           HD2      ARG   7   7.925   5.315  -7.588
   61    HD3  ARG   7           HD3      ARG   7   8.690   6.089  -8.975
   62    HE   ARG   7           HE       ARG   7   6.023   5.052  -8.829
   63   HH11  ARG   7          HH11      ARG   7   8.684   5.752 -10.962
   64   HH12  ARG   7          HH12      ARG   7   7.683   5.921 -12.367
   65   HH21  ARG   7          HH21      ARG   7   4.696   5.272 -10.670
   66   HH22  ARG   7          HH22      ARG   7   5.414   5.648 -12.199
   67    H    LYS   8           H        LYS   8   9.328   4.832  -5.377
   68    HA   LYS   8           HA       LYS   8   9.926   7.338  -6.331
   69    HB2  LYS   8           HB2      LYS   8   9.320   6.256  -3.620
   70    HB3  LYS   8           HB3      LYS   8   9.891   7.916  -3.737
   71    HG2  LYS   8           HG2      LYS   8   7.493   6.791  -5.171
   72    HG3  LYS   8           HG3      LYS   8   7.448   7.773  -3.705
   73    HD2  LYS   8           HD2      LYS   8   8.655   9.564  -4.997
   74    HD3  LYS   8           HD3      LYS   8   8.392   8.595  -6.448
   75    HE2  LYS   8           HE2      LYS   8   5.947   8.665  -5.960
   76    HE3  LYS   8           HE3      LYS   8   6.291   9.784  -4.642
   77    HZ1  LYS   8           HZ1      LYS   8   6.442  10.219  -7.536
   78    HZ2  LYS   8           HZ2      LYS   8   7.507  11.078  -6.542
   79    HZ3  LYS   8           HZ3      LYS   8   5.837  11.233  -6.325
   80    H    CYS   9           H        CYS   9  11.574   6.119  -3.428
   81    HA   CYS   9           HA       CYS   9  14.070   7.294  -4.465
   82    HB2  CYS   9           HB2      CYS   9  12.695   7.636  -1.892
   83    HB3  CYS   9           HB3      CYS   9  14.409   7.267  -1.743
   84    HG   CYS   9           HG       CYS   9  14.463   9.485  -3.985
   85    HA   PRO  10           HA       PRO  10  15.392   3.038  -4.121
   86    HB2  PRO  10           HB2      PRO  10  17.861   3.455  -5.169
   87    HB3  PRO  10           HB3      PRO  10  16.403   3.339  -6.161
   88    HG2  PRO  10           HG2      PRO  10  17.867   5.776  -5.223
   89    HG3  PRO  10           HG3      PRO  10  17.178   5.431  -6.819
   90    HD2  PRO  10           HD2      PRO  10  15.930   7.004  -5.002
   91    HD3  PRO  10           HD3      PRO  10  15.042   5.988  -6.156
   92    H    LEU  11           H        LEU  11  15.523   4.840  -1.823
   93    HA   LEU  11           HA       LEU  11  18.211   4.456  -0.766
   94    HB2  LEU  11           HB2      LEU  11  15.780   5.937   0.165
   95    HB3  LEU  11           HB3      LEU  11  17.113   5.608   1.269
   96    HG   LEU  11           HG       LEU  11  17.807   6.907  -1.299
   97   HD11  LEU  11          HD11      LEU  11  16.064   8.154   0.781
   98   HD12  LEU  11          HD12      LEU  11  15.984   8.282  -0.976
   99   HD13  LEU  11          HD13      LEU  11  17.247   9.134  -0.085
  100   HD21  LEU  11          HD21      LEU  11  18.941   6.481   1.283
  101   HD22  LEU  11          HD22      LEU  11  18.831   8.216   0.985
  102   HD23  LEU  11          HD23      LEU  11  19.687   7.176  -0.155
  103    H    PHE  12           H        PHE  12  14.939   3.270  -0.328
  104    HA   PHE  12           HA       PHE  12  15.831   1.518   1.846
  105    HB2  PHE  12           HB2      PHE  12  13.779   2.804   2.245
  106    HB3  PHE  12           HB3      PHE  12  13.044   2.086   0.815
  107    HD1  PHE  12           HD1      PHE  12  13.822   1.666   4.313
  108    HD2  PHE  12           HD2      PHE  12  12.511  -0.338   0.795
  109    HE1  PHE  12           HE1      PHE  12  12.974  -0.190   5.690
  110    HE2  PHE  12           HE2      PHE  12  11.662  -2.196   2.165
  111    HZ   PHE  12           HZ       PHE  12  11.892  -2.124   4.617
  112    H    GLY  13           H        GLY  13  14.625   1.483  -1.441
  113    HA2  GLY  13           HA2      GLY  13  14.127  -1.315  -1.589
  114    HA3  GLY  13           HA3      GLY  13  14.327  -0.225  -2.953
  115    H    LYS  14           H        LYS  14  16.252  -0.144  -4.018
  116    HA   LYS  14           HA       LYS  14  18.003  -2.345  -3.765
  117    HB2  LYS  14           HB2      LYS  14  19.361  -1.201  -5.473
  118    HB3  LYS  14           HB3      LYS  14  17.655  -1.234  -5.903
  119    HG2  LYS  14           HG2      LYS  14  18.034   0.930  -6.384
  120    HG3  LYS  14           HG3      LYS  14  17.753   1.135  -4.653
  121    HD2  LYS  14           HD2      LYS  14  19.732   2.322  -5.083
  122    HD3  LYS  14           HD3      LYS  14  20.270   0.793  -4.382
  123    HE2  LYS  14           HE2      LYS  14  21.679   0.883  -6.167
  124    HE3  LYS  14           HE3      LYS  14  20.313   0.075  -6.935
  125    HZ1  LYS  14           HZ1      LYS  14  19.705   1.973  -8.056
  126    HZ2  LYS  14           HZ2      LYS  14  21.391   2.110  -8.072
  127    HZ3  LYS  14           HZ3      LYS  14  20.481   3.013  -6.969
  128    H    GLY  15           H        GLY  15  17.940   0.764  -2.278
  129    HA2  GLY  15           HA2      GLY  15  20.644   1.171  -1.705
  130    HA3  GLY  15           HA3      GLY  15  19.307   1.750  -0.722
  131    H    GLY  16           H        GLY  16  18.290  -0.930  -0.161
  132    HA2  GLY  16           HA2      GLY  16  20.207  -1.594   1.952
  133    HA3  GLY  16           HA3      GLY  16  18.519  -2.080   1.895
  134    H1   LYS   1           H        LYS   1  18.922   2.923   4.825
  135    HA   LYS   1           HA       LYS   1  18.318   5.698   5.556
  136    HB2  LYS   1           HB2      LYS   1  18.787   4.575   2.793
  137    HB3  LYS   1           HB3      LYS   1  18.764   6.269   3.263
  138    HG2  LYS   1           HG2      LYS   1  20.724   5.345   4.870
  139    HG3  LYS   1           HG3      LYS   1  20.907   4.271   3.480
  140    HD2  LYS   1           HD2      LYS   1  21.232   6.100   2.001
  141    HD3  LYS   1           HD3      LYS   1  20.725   7.267   3.226
  142    HE2  LYS   1           HE2      LYS   1  22.835   7.481   3.883
  143    HE3  LYS   1           HE3      LYS   1  22.873   5.770   4.304
  144    HZ1  LYS   1           HZ1      LYS   1  23.142   6.199   1.492
  145    HZ2  LYS   1           HZ2      LYS   1  24.129   5.317   2.545
  146    HZ3  LYS   1           HZ3      LYS   1  24.359   6.983   2.366
  147    H    TYR   2           H        TYR   2  16.190   5.355   6.293
  148    HA   TYR   2           HA       TYR   2  14.260   4.614   4.193
  149    HB2  TYR   2           HB2      TYR   2  12.730   4.353   6.320
  150    HB3  TYR   2           HB3      TYR   2  13.834   3.065   5.849
  151    HD1  TYR   2           HD1      TYR   2  15.799   2.563   7.173
  152    HD2  TYR   2           HD2      TYR   2  13.176   5.721   8.287
  153    HE1  TYR   2           HE1      TYR   2  16.852   2.646   9.394
  154    HE2  TYR   2           HE2      TYR   2  14.222   5.814  10.511
  155    HH   TYR   2           HH       TYR   2  17.089   4.603  11.246
  156    H    GLU   3           H        GLU   3  14.873   6.835   6.885
  157    HA   GLU   3           HA       GLU   3  12.639   8.433   6.758
  158    HB2  GLU   3           HB2      GLU   3  14.185  10.299   7.519
  159    HB3  GLU   3           HB3      GLU   3  14.184   8.840   8.499
  160    HG2  GLU   3           HG2      GLU   3  16.182   8.344   6.692
  161    HG3  GLU   3           HG3      GLU   3  16.336  10.076   6.980
  162    H    ILE   4           H        ILE   4  15.653   8.845   4.909
  163    HA   ILE   4           HA       ILE   4  14.783  11.077   3.425
  164    HB   ILE   4           HB       ILE   4  16.798   9.046   2.477
  165   HG12  ILE   4          HG12      ILE   4  17.579   9.531   4.635
  166   HG13  ILE   4          HG13      ILE   4  18.438  10.684   3.620
  167   HG21  ILE   4          HG21      ILE   4  17.828  11.093   1.463
  168   HG22  ILE   4          HG22      ILE   4  16.263  10.638   0.791
  169   HG23  ILE   4          HG23      ILE   4  16.377  11.976   1.934
  170   HD11  ILE   4          HD11      ILE   4  16.713  12.377   4.218
  171   HD12  ILE   4          HD12      ILE   4  16.050  11.212   5.365
  172   HD13  ILE   4          HD13      ILE   4  17.694  11.816   5.572
  173    H    THR   5           H        THR   5  13.829   7.851   3.285
  174    HA   THR   5           HA       THR   5  13.119   7.930   0.455
  175    HB   THR   5           HB       THR   5  12.237   5.653   2.137
  176    HG1  THR   5           HG1      THR   5  14.898   6.476   1.900
  177   HG21  THR   5          HG21      THR   5  13.639   5.870  -0.531
  178   HG22  THR   5          HG22      THR   5  11.907   5.652  -0.280
  179   HG23  THR   5          HG23      THR   5  13.033   4.380   0.191
  180    H    THR   6           H        THR   6  11.707   8.368   3.575
  181    HA   THR   6           HA       THR   6   8.989   8.183   2.504
  182    HB   THR   6           HB       THR   6   8.300   7.672   4.573
  183    HG1  THR   6           HG1      THR   6  10.061   9.477   5.858
  184   HG21  THR   6          HG21      THR   6  10.587   6.504   4.322
  185   HG22  THR   6          HG22      THR   6   9.849   6.559   5.924
  186   HG23  THR   6          HG23      THR   6  11.151   7.676   5.512
  187    H    ILE   7           H        ILE   7  11.243  10.496   3.914
  188    HA   ILE   7           HA       ILE   7   9.403  12.663   4.026
  189    HB   ILE   7           HB       ILE   7  11.285  14.072   4.489
  190   HG12  ILE   7          HG12      ILE   7  12.964  11.769   3.476
  191   HG13  ILE   7          HG13      ILE   7  12.813  13.367   2.754
  192   HG21  ILE   7          HG21      ILE   7  12.427  11.831   5.907
  193   HG22  ILE   7          HG22      ILE   7  11.521  13.210   6.525
  194   HG23  ILE   7          HG23      ILE   7  10.665  11.784   5.942
  195   HD11  ILE   7          HD11      ILE   7  13.704  14.091   5.151
  196   HD12  ILE   7          HD12      ILE   7  14.403  12.473   5.074
  197   HD13  ILE   7          HD13      ILE   7  14.779  13.657   3.822
  198    H    HIS   8           H        HIS   8  11.711  11.516   1.627
  199    HA   HIS   8           HA       HIS   8  11.396  13.783  -0.100
  200    HB2  HIS   8           HB2      HIS   8  12.707  11.091  -0.385
  201    HB3  HIS   8           HB3      HIS   8  12.542  12.169  -1.768
  202    HD1  HIS   8           HD1      HIS   8  13.048  14.362   0.942
  203    HD2  HIS   8           HD2      HIS   8  15.536  11.820  -1.204
  204    HE1  HIS   8           HE1      HIS   8  15.382  15.209   1.345
  205    H    ASN   9           H        ASN   9   9.730  10.804   0.399
  206    HA   ASN   9           HA       ASN   9   8.291  11.073  -2.140
  207    HB2  ASN   9           HB2      ASN   9   7.993   8.835  -2.106
  208    HB3  ASN   9           HB3      ASN   9   9.265   8.842  -0.887
  209   HD21  ASN   9          HD21      ASN   9   6.431   7.524  -1.538
  210   HD22  ASN   9          HD22      ASN   9   5.777   7.340   0.052
  211    H    LEU  10           H        LEU  10   8.034  12.082   1.002
  212    HA   LEU  10           HA       LEU  10   5.183  11.755   1.312
  213    HB2  LEU  10           HB2      LEU  10   6.296  11.723   3.345
  214    HB3  LEU  10           HB3      LEU  10   7.360  13.055   2.895
  215    HG   LEU  10           HG       LEU  10   5.445  14.606   3.117
  216   HD11  LEU  10          HD11      LEU  10   3.979  12.275   4.333
  217   HD12  LEU  10          HD12      LEU  10   3.705  12.856   2.691
  218   HD13  LEU  10          HD13      LEU  10   3.378  13.911   4.065
  219   HD21  LEU  10          HD21      LEU  10   5.203  13.752   5.749
  220   HD22  LEU  10          HD22      LEU  10   6.406  14.871   5.106
  221   HD23  LEU  10          HD23      LEU  10   6.777  13.151   5.232
  222    H    PHE  11           H        PHE  11   7.421  14.295   0.363
  223    HA   PHE  11           HA       PHE  11   5.488  16.386   0.324
  224    HB2  PHE  11           HB2      PHE  11   8.287  16.147  -0.068
  225    HB3  PHE  11           HB3      PHE  11   7.624  16.907  -1.512
  226    HD1  PHE  11           HD1      PHE  11   6.540  17.192   2.032
  227    HD2  PHE  11           HD2      PHE  11   8.224  19.137  -1.358
  228    HE1  PHE  11           HE1      PHE  11   6.435  19.345   3.219
  229    HE2  PHE  11           HE2      PHE  11   8.123  21.292  -0.177
  230    HZ   PHE  11           HZ       PHE  11   7.229  21.399   2.115
  231    H    ARG  12           H        ARG  12   5.843  13.704  -1.594
  232    HA   ARG  12           HA       ARG  12   5.210  14.848  -4.143
  233    HB2  ARG  12           HB2      ARG  12   5.052  11.995  -3.155
  234    HB3  ARG  12           HB3      ARG  12   4.831  12.490  -4.828
  235    HG2  ARG  12           HG2      ARG  12   7.344  13.043  -3.277
  236    HG3  ARG  12           HG3      ARG  12   7.097  11.582  -4.235
  237    HD2  ARG  12           HD2      ARG  12   6.588  13.110  -6.187
  238    HD3  ARG  12           HD3      ARG  12   7.187  14.434  -5.188
  239    HE   ARG  12           HE       ARG  12   9.065  12.306  -5.314
  240   HH11  ARG  12          HH11      ARG  12   7.788  14.990  -7.126
  241   HH12  ARG  12          HH12      ARG  12   9.231  15.216  -8.058
  242   HH21  ARG  12          HH21      ARG  12  10.970  12.594  -6.535
  243   HH22  ARG  12          HH22      ARG  12  11.040  13.852  -7.723
  244    H    LYS  13           H        LYS  13   3.321  12.416  -2.368
  245    HA   LYS  13           HA       LYS  13   0.892  13.950  -3.028
  246    HB2  LYS  13           HB2      LYS  13   1.392  11.651  -4.201
  247    HB3  LYS  13           HB3      LYS  13   0.825  10.978  -2.679
  248    HG2  LYS  13           HG2      LYS  13  -1.317  11.944  -2.942
  249    HG3  LYS  13           HG3      LYS  13  -0.772  12.954  -4.282
  250    HD2  LYS  13           HD2      LYS  13  -0.552   9.986  -4.508
  251    HD3  LYS  13           HD3      LYS  13  -2.126  10.754  -4.733
  252    HE2  LYS  13           HE2      LYS  13  -1.294  12.086  -6.535
  253    HE3  LYS  13           HE3      LYS  13   0.364  11.577  -6.217
  254    HZ1  LYS  13           HZ1      LYS  13  -1.341   9.343  -6.661
  255    HZ2  LYS  13           HZ2      LYS  13   0.083   9.780  -7.463
  256    HZ3  LYS  13           HZ3      LYS  13  -1.402  10.415  -7.967
  257    H    LEU  14           H        LEU  14   2.212  14.448  -0.673
  258    HA   LEU  14           HA       LEU  14   1.704  13.005   1.575
  259    HB2  LEU  14           HB2      LEU  14   1.177  15.465   2.528
  260    HB3  LEU  14           HB3      LEU  14   2.798  14.864   2.189
  261    HG   LEU  14           HG       LEU  14   2.766  16.003   0.023
  262   HD11  LEU  14          HD11      LEU  14   0.457  15.964  -0.542
  263   HD12  LEU  14          HD12      LEU  14   0.932  17.656  -0.396
  264   HD13  LEU  14          HD13      LEU  14   0.024  16.880   0.901
  265   HD21  LEU  14          HD21      LEU  14   3.167  17.120   2.459
  266   HD22  LEU  14          HD22      LEU  14   1.945  18.203   1.791
  267   HD23  LEU  14          HD23      LEU  14   3.461  17.942   0.926
  268    H    THR  15           H        THR  15  -0.146  11.892   1.858
  269    HA   THR  15           HA       THR  15  -2.705  13.292   1.553
  270    HB   THR  15           HB       THR  15  -3.551  10.840   2.035
  271    HG1  THR  15           HG1      THR  15  -2.074   9.314   1.811
  272   HG21  THR  15          HG21      THR  15  -2.720  10.511  -0.585
  273   HG22  THR  15          HG22      THR  15  -2.752  12.261  -0.372
  274   HG23  THR  15          HG23      THR  15  -4.201  11.307  -0.054
  275    H    HIS  16           H        HIS  16  -2.265  10.534   3.646
  276    HA   HIS  16           HA       HIS  16  -2.789  12.252   5.981
  277    HB2  HIS  16           HB2      HIS  16  -4.239   9.894   4.983
  278    HB3  HIS  16           HB3      HIS  16  -3.872   9.849   6.705
  279    HD1  HIS  16           HD1      HIS  16  -6.654  10.483   4.932
  280    HD2  HIS  16           HD2      HIS  16  -4.497  12.931   7.504
  281    HE1  HIS  16           HE1      HIS  16  -8.274  12.248   5.699
  282    H    ARG  17           H        ARG  17  -2.299   8.760   5.833
  283    HA   ARG  17           HA       ARG  17   0.225   9.119   7.313
  284    HB2  ARG  17           HB2      ARG  17  -1.820   6.924   7.699
  285    HB3  ARG  17           HB3      ARG  17  -0.300   7.083   8.569
  286    HG2  ARG  17           HG2      ARG  17  -2.539   9.092   8.658
  287    HG3  ARG  17           HG3      ARG  17  -2.261   7.834   9.864
  288    HD2  ARG  17           HD2      ARG  17  -0.063   8.778  10.349
  289    HD3  ARG  17           HD3      ARG  17  -0.319  10.021   9.126
  290    HE   ARG  17           HE       ARG  17  -2.382  10.013  11.097
  291   HH11  ARG  17          HH11      ARG  17   0.875  11.058  10.446
  292   HH12  ARG  17          HH12      ARG  17   0.813  12.382  11.561
  293   HH21  ARG  17          HH21      ARG  17  -2.476  11.753  12.569
  294   HH22  ARG  17          HH22      ARG  17  -1.094  12.776  12.769
  295    H    LEU  18           H        LEU  18   0.973   9.051   4.974
  296    HA   LEU  18           HA       LEU  18   1.061   6.350   3.865
  297    HB2  LEU  18           HB2      LEU  18   2.323   7.599   2.000
  298    HB3  LEU  18           HB3      LEU  18   0.587   7.849   2.173
  299    HG   LEU  18           HG       LEU  18   1.019   9.983   3.308
  300   HD11  LEU  18          HD11      LEU  18   3.540  10.738   2.830
  301   HD12  LEU  18          HD12      LEU  18   3.806   9.020   3.126
  302   HD13  LEU  18          HD13      LEU  18   3.023  10.015   4.353
  303   HD21  LEU  18          HD21      LEU  18   0.620  10.297   1.053
  304   HD22  LEU  18          HD22      LEU  18   2.102   9.475   0.567
  305   HD23  LEU  18          HD23      LEU  18   2.180  11.092   1.270
  306    H    PHE  19           H        PHE  19   2.562   7.310   6.302
  307    HA   PHE  19           HA       PHE  19   5.258   6.565   5.376
  308    HB2  PHE  19           HB2      PHE  19   5.460   8.810   6.080
  309    HB3  PHE  19           HB3      PHE  19   4.415   8.555   7.472
  310    HD1  PHE  19           HD1      PHE  19   7.283   6.490   6.350
  311    HD2  PHE  19           HD2      PHE  19   5.757   9.189   9.266
  312    HE1  PHE  19           HE1      PHE  19   9.262   6.085   7.756
  313    HE2  PHE  19           HE2      PHE  19   7.733   8.789  10.676
  314    HZ   PHE  19           HZ       PHE  19   9.489   7.236   9.921
  315    H    ARG  20           H        ARG  20   3.129   6.582   8.232
  316    HA   ARG  20           HA       ARG  20   4.532   4.223   9.253
  317    HB2  ARG  20           HB2      ARG  20   2.437   5.931  10.608
  318    HB3  ARG  20           HB3      ARG  20   3.397   4.663  11.360
  319    HG2  ARG  20           HG2      ARG  20   4.544   7.175  10.163
  320    HG3  ARG  20           HG3      ARG  20   4.171   6.960  11.874
  321    HD2  ARG  20           HD2      ARG  20   5.670   4.738  11.320
  322    HD3  ARG  20           HD3      ARG  20   6.419   5.959  10.293
  323    HE   ARG  20           HE       ARG  20   6.111   7.109  12.790
  324   HH11  ARG  20          HH11      ARG  20   7.807   4.407  11.397
  325   HH12  ARG  20          HH12      ARG  20   9.103   4.460  12.546
  326   HH21  ARG  20          HH21      ARG  20   7.811   7.189  14.309
  327   HH22  ARG  20          HH22      ARG  20   9.104   6.043  14.202
  328    H    ARG  21           H        ARG  21   1.284   5.356   8.411
  329    HA   ARG  21           HA       ARG  21   0.074   2.799   8.928
  330    HB2  ARG  21           HB2      ARG  21  -0.970   5.222   8.961
  331    HB3  ARG  21           HB3      ARG  21  -1.252   4.891   7.258
  332    HG2  ARG  21           HG2      ARG  21  -3.041   3.688   7.748
  333    HG3  ARG  21           HG3      ARG  21  -2.092   2.641   8.806
  334    HD2  ARG  21           HD2      ARG  21  -2.336   4.825  10.372
  335    HD3  ARG  21           HD3      ARG  21  -3.841   4.924   9.458
  336    HE   ARG  21           HE       ARG  21  -3.192   3.035  11.501
  337   HH11  ARG  21          HH11      ARG  21  -5.032   3.506   8.583
  338   HH12  ARG  21          HH12      ARG  21  -6.217   2.307   8.982
  339   HH21  ARG  21          HH21      ARG  21  -4.746   1.455  12.037
  340   HH22  ARG  21          HH22      ARG  21  -6.054   1.142  10.948
  341    H    ASN  22           H        ASN  22   2.079   3.813   6.551
  342    HA   ASN  22           HA       ASN  22   0.866   1.994   4.575
  343    HB2  ASN  22           HB2      ASN  22   2.072   4.695   4.244
  344    HB3  ASN  22           HB3      ASN  22   2.386   3.511   2.980
  345   HD21  ASN  22          HD21      ASN  22  -0.395   4.447   4.980
  346   HD22  ASN  22          HD22      ASN  22  -1.507   4.588   3.664
  347    H    PHE  23           H        PHE  23   3.973   3.490   5.486
  348    HA   PHE  23           HA       PHE  23   5.334   1.035   4.627
  349    HB2  PHE  23           HB2      PHE  23   6.354   3.835   5.118
  350    HB3  PHE  23           HB3      PHE  23   7.414   2.463   4.812
  351    HD1  PHE  23           HD1      PHE  23   4.988   4.774   3.365
  352    HD2  PHE  23           HD2      PHE  23   7.533   1.445   2.621
  353    HE1  PHE  23           HE1      PHE  23   4.734   5.126   0.943
  354    HE2  PHE  23           HE2      PHE  23   7.285   1.793   0.198
  355    HZ   PHE  23           HZ       PHE  23   5.885   3.635  -0.645
  356    H    GLY  24           H        GLY  24   3.882   1.787   7.269
  357    HA2  GLY  24           HA2      GLY  24   6.116   1.092   9.073
  358    HA3  GLY  24           HA3      GLY  24   4.696   2.002   9.567
  359    H    TYR  25           H        TYR  25   3.026   0.111   7.879
  360    HA   TYR  25           HA       TYR  25   2.488  -1.754  10.001
  361    HB2  TYR  25           HB2      TYR  25   1.085  -0.705   7.717
  362    HB3  TYR  25           HB3      TYR  25   0.982  -2.463   7.724
  363    HD1  TYR  25           HD1      TYR  25   1.007   0.021  10.514
  364    HD2  TYR  25           HD2      TYR  25  -1.127  -3.045   8.477
  365    HE1  TYR  25           HE1      TYR  25  -0.769   0.137  12.212
  366    HE2  TYR  25           HE2      TYR  25  -2.909  -2.937  10.168
  367    HH   TYR  25           HH       TYR  25  -3.322  -0.449  12.249
  368    H    THR  26           H        THR  26   4.514  -1.738   7.314
  369    HA   THR  26           HA       THR  26   4.463  -4.648   6.997
  370    HB   THR  26           HB       THR  26   5.455  -2.395   5.338
  371    HG1  THR  26           HG1      THR  26   4.599  -3.833   3.712
  372   HG21  THR  26          HG21      THR  26   7.525  -3.597   5.662
  373   HG22  THR  26          HG22      THR  26   6.913  -3.934   4.042
  374   HG23  THR  26          HG23      THR  26   6.727  -5.132   5.322
  375    H    LEU  27           H        LEU  27   6.863  -2.060   7.516
  376    HA   LEU  27           HA       LEU  27   8.940  -3.877   8.232
  377    HB2  LEU  27           HB2      LEU  27   8.816  -1.234   7.510
  378    HB3  LEU  27           HB3      LEU  27   9.203  -1.142   9.227
  379    HG   LEU  27           HG       LEU  27  10.806  -2.498   7.064
  380   HD11  LEU  27          HD11      LEU  27  12.514  -0.835   8.182
  381   HD12  LEU  27          HD12      LEU  27  11.040   0.030   8.615
  382   HD13  LEU  27          HD13      LEU  27  11.404  -0.298   6.921
  383   HD21  LEU  27          HD21      LEU  27  12.432  -2.935   8.920
  384   HD22  LEU  27          HD22      LEU  27  10.957  -3.899   8.985
  385   HD23  LEU  27          HD23      LEU  27  11.152  -2.511  10.057
  386    H    ARG  28           H        ARG  28   6.198  -3.175   9.824
  387    HA   ARG  28           HA       ARG  28   6.890  -2.528  12.430
  388    HB2  ARG  28           HB2      ARG  28   4.571  -2.655  11.611
  389    HB3  ARG  28           HB3      ARG  28   4.702  -4.406  11.521
  390    HG2  ARG  28           HG2      ARG  28   5.406  -3.955  14.104
  391    HG3  ARG  28           HG3      ARG  28   4.234  -2.665  13.826
  392    HD2  ARG  28           HD2      ARG  28   2.695  -4.220  14.304
  393    HD3  ARG  28           HD3      ARG  28   3.003  -4.811  12.672
  394    HE   ARG  28           HE       ARG  28   4.814  -5.943  14.551
  395   HH11  ARG  28          HH11      ARG  28   1.550  -6.148  13.357
  396   HH12  ARG  28          HH12      ARG  28   1.364  -7.820  13.774
  397   HH21  ARG  28          HH21      ARG  28   4.581  -8.144  15.104
  398   HH22  ARG  28          HH22      ARG  28   3.089  -8.954  14.767
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1  -0.338   1.593  -1.725
    2    HA   VAL   1           HA       VAL   1   1.204   1.250  -3.366
    3    HB   VAL   1           HB       VAL   1   1.890   3.170  -4.727
    4   HG11  VAL   1          HG11      VAL   1  -0.149   2.440  -5.470
    5   HG12  VAL   1          HG12      VAL   1  -0.957   2.790  -3.940
    6   HG13  VAL   1          HG13      VAL   1  -0.551   4.104  -5.045
    7   HG21  VAL   1          HG21      VAL   1   0.603   4.787  -2.533
    8   HG22  VAL   1          HG22      VAL   1   2.290   4.830  -3.047
    9   HG23  VAL   1          HG23      VAL   1   1.026   5.433  -4.118
   10    H    ALA   2           H        ALA   2   3.386   0.940  -3.579
   11    HA   ALA   2           HA       ALA   2   5.099   2.305  -1.604
   12    HB1  ALA   2           HB1      ALA   2   5.087   0.171  -0.769
   13    HB2  ALA   2           HB2      ALA   2   4.905  -0.570  -2.359
   14    HB3  ALA   2           HB3      ALA   2   6.467   0.081  -1.863
   15    H    ARG   3           H        ARG   3   5.365   3.844  -3.442
   16    HA   ARG   3           HA       ARG   3   7.345   2.852  -5.386
   17    HB2  ARG   3           HB2      ARG   3   6.633   5.033  -6.624
   18    HB3  ARG   3           HB3      ARG   3   5.606   3.609  -6.713
   19    HG2  ARG   3           HG2      ARG   3   4.046   4.504  -5.208
   20    HG3  ARG   3           HG3      ARG   3   5.162   5.762  -4.674
   21    HD2  ARG   3           HD2      ARG   3   3.668   6.875  -6.089
   22    HD3  ARG   3           HD3      ARG   3   5.093   6.596  -7.088
   23    HE   ARG   3           HE       ARG   3   3.360   4.447  -7.463
   24   HH11  ARG   3          HH11      ARG   3   3.458   7.875  -8.065
   25   HH12  ARG   3          HH12      ARG   3   2.430   7.791  -9.457
   26   HH21  ARG   3          HH21      ARG   3   2.005   4.324  -9.294
   27   HH22  ARG   3          HH22      ARG   3   1.603   5.772 -10.154
   28    H    GLY   4           H        GLY   4   6.760   4.995  -2.781
   29    HA2  GLY   4           HA2      GLY   4   8.808   6.903  -3.384
   30    HA3  GLY   4           HA3      GLY   4   7.992   6.702  -1.840
   31    H    TRP   5           H        TRP   5   8.917   3.711  -2.304
   32    HA   TRP   5           HA       TRP   5  11.616   4.135  -1.197
   33    HB2  TRP   5           HB2      TRP   5   9.373   2.400  -0.297
   34    HB3  TRP   5           HB3      TRP   5  11.004   1.749  -0.153
   35    HD1  TRP   5           HD1      TRP   5  10.770   5.466   0.350
   36    HE1  TRP   5           HE1      TRP   5  11.049   6.019   2.848
   37    HE3  TRP   5           HE3      TRP   5  10.435   0.740   2.269
   38    HZ2  TRP   5           HZ2      TRP   5  11.118   4.635   5.307
   39    HZ3  TRP   5           HZ3      TRP   5  10.618   0.440   4.704
   40    HH2  TRP   5           HH2      TRP   5  10.953   2.348   6.190
   41    H    LYS   6           H        LYS   6   9.848   2.860  -3.725
   42    HA   LYS   6           HA       LYS   6  11.982   0.938  -4.387
   43    HB2  LYS   6           HB2      LYS   6   9.977  -0.296  -4.219
   44    HB3  LYS   6           HB3      LYS   6   9.044   0.947  -5.042
   45    HG2  LYS   6           HG2      LYS   6  11.190  -0.104  -6.691
   46    HG3  LYS   6           HG3      LYS   6  10.053  -1.350  -6.170
   47    HD2  LYS   6           HD2      LYS   6   8.705   1.076  -7.021
   48    HD3  LYS   6           HD3      LYS   6   9.726   0.402  -8.294
   49    HE2  LYS   6           HE2      LYS   6   8.413  -1.408  -8.560
   50    HE3  LYS   6           HE3      LYS   6   8.107  -1.565  -6.830
   51    HZ1  LYS   6           HZ1      LYS   6   6.494   0.215  -6.978
   52    HZ2  LYS   6           HZ2      LYS   6   6.094  -1.020  -8.063
   53    HZ3  LYS   6           HZ3      LYS   6   6.805   0.406  -8.630
   54    H    ARG   7           H        ARG   7   9.737   3.316  -5.774
   55    HA   ARG   7           HA       ARG   7  11.251   3.422  -8.244
   56    HB2  ARG   7           HB2      ARG   7   8.869   3.590  -8.455
   57    HB3  ARG   7           HB3      ARG   7   8.802   4.896  -7.280
   58    HG2  ARG   7           HG2      ARG   7  10.548   5.638  -9.416
   59    HG3  ARG   7           HG3      ARG   7   9.006   5.087 -10.074
   60    HD2  ARG   7           HD2      ARG   7   7.879   6.851  -9.245
   61    HD3  ARG   7           HD3      ARG   7   8.795   6.855  -7.738
   62    HE   ARG   7           HE       ARG   7  10.542   7.759  -9.653
   63   HH11  ARG   7          HH11      ARG   7   7.427   8.733  -8.441
   64   HH12  ARG   7          HH12      ARG   7   7.682  10.416  -8.764
   65   HH21  ARG   7          HH21      ARG   7  10.890   9.972 -10.082
   66   HH22  ARG   7          HH22      ARG   7   9.652  11.119  -9.699
   67    H    LYS   8           H        LYS   8  10.345   5.738  -5.689
   68    HA   LYS   8           HA       LYS   8  11.766   7.935  -6.522
   69    HB2  LYS   8           HB2      LYS   8  10.942   6.900  -3.852
   70    HB3  LYS   8           HB3      LYS   8  12.090   8.232  -3.893
   71    HG2  LYS   8           HG2      LYS   8   9.374   8.221  -5.193
   72    HG3  LYS   8           HG3      LYS   8   9.791   9.018  -3.674
   73    HD2  LYS   8           HD2      LYS   8  11.608   9.774  -5.790
   74    HD3  LYS   8           HD3      LYS   8   9.934  10.104  -6.238
   75    HE2  LYS   8           HE2      LYS   8  10.451  10.876  -3.506
   76    HE3  LYS   8           HE3      LYS   8  11.590  11.651  -4.606
   77    HZ1  LYS   8           HZ1      LYS   8   8.727  12.034  -4.334
   78    HZ2  LYS   8           HZ2      LYS   8   9.306  12.006  -5.923
   79    HZ3  LYS   8           HZ3      LYS   8   9.925  13.126  -4.815
   80    H    CYS   9           H        CYS   9  13.018   5.964  -3.843
   81    HA   CYS   9           HA       CYS   9  15.706   6.243  -5.015
   82    HB2  CYS   9           HB2      CYS   9  14.838   7.308  -2.616
   83    HB3  CYS   9           HB3      CYS   9  15.638   5.821  -2.122
   84    HG   CYS   9           HG       CYS   9  17.228   7.981  -4.217
   85    HA   PRO  10           HA       PRO  10  15.437   1.787  -5.033
   86    HB2  PRO  10           HB2      PRO  10  17.863   1.385  -6.182
   87    HB3  PRO  10           HB3      PRO  10  16.438   1.885  -7.099
   88    HG2  PRO  10           HG2      PRO  10  18.705   3.545  -6.068
   89    HG3  PRO  10           HG3      PRO  10  17.897   3.611  -7.645
   90    HD2  PRO  10           HD2      PRO  10  17.347   5.360  -5.652
   91    HD3  PRO  10           HD3      PRO  10  16.124   4.835  -6.826
   92    H    LEU  11           H        LEU  11  16.275   3.221  -2.623
   93    HA   LEU  11           HA       LEU  11  18.646   1.762  -1.746
   94    HB2  LEU  11           HB2      LEU  11  16.989   3.849  -0.337
   95    HB3  LEU  11           HB3      LEU  11  18.481   3.140   0.278
   96    HG   LEU  11           HG       LEU  11  18.197   4.919  -2.142
   97   HD11  LEU  11          HD11      LEU  11  18.719   6.634  -0.827
   98   HD12  LEU  11          HD12      LEU  11  20.013   5.734  -0.037
   99   HD13  LEU  11          HD13      LEU  11  18.354   5.578   0.538
  100   HD21  LEU  11          HD21      LEU  11  19.910   3.364  -2.648
  101   HD22  LEU  11          HD22      LEU  11  20.564   3.444  -1.013
  102   HD23  LEU  11          HD23      LEU  11  20.717   4.830  -2.092
  103    H    PHE  12           H        PHE  12  15.189   1.939  -1.188
  104    HA   PHE  12           HA       PHE  12  15.403  -0.239   0.777
  105    HB2  PHE  12           HB2      PHE  12  14.004   2.112   0.954
  106    HB3  PHE  12           HB3      PHE  12  12.764   0.995   0.395
  107    HD1  PHE  12           HD1      PHE  12  14.474   2.261   3.206
  108    HD2  PHE  12           HD2      PHE  12  12.578  -1.242   1.704
  109    HE1  PHE  12           HE1      PHE  12  14.194   1.431   5.505
  110    HE2  PHE  12           HE2      PHE  12  12.295  -2.078   4.001
  111    HZ   PHE  12           HZ       PHE  12  13.102  -0.741   5.905
  112    H    GLY  13           H        GLY  13  14.449   0.505  -2.414
  113    HA2  GLY  13           HA2      GLY  13  12.527  -1.633  -2.681
  114    HA3  GLY  13           HA3      GLY  13  13.158  -0.626  -3.975
  115    H    LYS  14           H        LYS  14  14.762  -1.388  -5.249
  116    HA   LYS  14           HA       LYS  14  15.336  -4.172  -5.175
  117    HB2  LYS  14           HB2      LYS  14  16.809  -3.694  -7.098
  118    HB3  LYS  14           HB3      LYS  14  15.208  -2.990  -7.292
  119    HG2  LYS  14           HG2      LYS  14  16.500  -1.244  -7.972
  120    HG3  LYS  14           HG3      LYS  14  16.373  -0.875  -6.251
  121    HD2  LYS  14           HD2      LYS  14  18.592  -0.904  -6.122
  122    HD3  LYS  14           HD3      LYS  14  18.564  -2.620  -6.537
  123    HE2  LYS  14           HE2      LYS  14  18.845  -2.171  -8.834
  124    HE3  LYS  14           HE3      LYS  14  18.463  -0.463  -8.626
  125    HZ1  LYS  14           HZ1      LYS  14  20.967  -1.631  -8.623
  126    HZ2  LYS  14           HZ2      LYS  14  20.679  -1.177  -7.020
  127    HZ3  LYS  14           HZ3      LYS  14  20.588  -0.024  -8.254
  128    H    GLY  15           H        GLY  15  16.952  -1.326  -3.991
  129    HA2  GLY  15           HA2      GLY  15  19.542  -2.461  -3.691
  130    HA3  GLY  15           HA3      GLY  15  18.940  -1.026  -2.873
  131    H    GLY  16           H        GLY  16  16.805  -2.094  -1.454
  132    HA2  GLY  16           HA2      GLY  16  17.998  -2.987   0.878
  133    HA3  GLY  16           HA3      GLY  16  16.301  -3.218   0.485
  134    H1   LYS   1           H        LYS   1  18.468   4.896   6.015
  135    HA   LYS   1           HA       LYS   1  18.380   7.011   3.976
  136    HB2  LYS   1           HB2      LYS   1  19.588   4.390   4.088
  137    HB3  LYS   1           HB3      LYS   1  18.501   4.506   2.710
  138    HG2  LYS   1           HG2      LYS   1  20.583   5.171   1.891
  139    HG3  LYS   1           HG3      LYS   1  19.703   6.679   2.151
  140    HD2  LYS   1           HD2      LYS   1  20.867   7.041   4.240
  141    HD3  LYS   1           HD3      LYS   1  21.674   5.477   4.095
  142    HE2  LYS   1           HE2      LYS   1  21.968   7.719   2.102
  143    HE3  LYS   1           HE3      LYS   1  23.076   7.447   3.446
  144    HZ1  LYS   1           HZ1      LYS   1  24.086   6.357   1.697
  145    HZ2  LYS   1           HZ2      LYS   1  22.630   5.786   1.052
  146    HZ3  LYS   1           HZ3      LYS   1  23.259   5.094   2.462
  147    H    TYR   2           H        TYR   2  16.158   6.002   5.764
  148    HA   TYR   2           HA       TYR   2  14.271   5.275   3.619
  149    HB2  TYR   2           HB2      TYR   2  13.038   4.522   5.977
  150    HB3  TYR   2           HB3      TYR   2  13.850   3.444   4.847
  151    HD1  TYR   2           HD1      TYR   2  13.994   5.033   8.111
  152    HD2  TYR   2           HD2      TYR   2  16.166   2.702   5.291
  153    HE1  TYR   2           HE1      TYR   2  15.597   4.410   9.869
  154    HE2  TYR   2           HE2      TYR   2  17.775   2.072   7.043
  155    HH   TYR   2           HH       TYR   2  17.672   3.518  10.237
  156    H    GLU   3           H        GLU   3  14.542   6.891   6.778
  157    HA   GLU   3           HA       GLU   3  12.088   8.155   6.849
  158    HB2  GLU   3           HB2      GLU   3  13.232   9.891   8.255
  159    HB3  GLU   3           HB3      GLU   3  13.506   8.232   8.770
  160    HG2  GLU   3           HG2      GLU   3  15.678   8.305   7.518
  161    HG3  GLU   3           HG3      GLU   3  15.406  10.033   7.298
  162    H    ILE   4           H        ILE   4  15.113   9.343   5.411
  163    HA   ILE   4           HA       ILE   4  13.942  11.757   4.435
  164    HB   ILE   4           HB       ILE   4  16.007  12.263   3.494
  165   HG12  ILE   4          HG12      ILE   4  16.215  10.330   2.026
  166   HG13  ILE   4          HG13      ILE   4  17.714  10.567   2.917
  167   HG21  ILE   4          HG21      ILE   4  16.749  10.331   5.683
  168   HG22  ILE   4          HG22      ILE   4  17.648  11.755   5.163
  169   HG23  ILE   4          HG23      ILE   4  16.087  11.941   5.960
  170   HD11  ILE   4          HD11      ILE   4  15.584   8.526   3.501
  171   HD12  ILE   4          HD12      ILE   4  17.180   8.227   2.814
  172   HD13  ILE   4          HD13      ILE   4  17.028   8.793   4.478
  173    H    THR   5           H        THR   5  13.382   8.680   3.537
  174    HA   THR   5           HA       THR   5  13.127   9.310   0.674
  175    HB   THR   5           HB       THR   5  12.561   6.546   1.425
  176    HG1  THR   5           HG1      THR   5  14.915   6.176   1.761
  177   HG21  THR   5          HG21      THR   5  13.933   8.079  -0.667
  178   HG22  THR   5          HG22      THR   5  12.993   6.591  -0.784
  179   HG23  THR   5          HG23      THR   5  14.685   6.529  -0.291
  180    H    THR   6           H        THR   6  11.361   8.754   3.556
  181    HA   THR   6           HA       THR   6   8.856   8.595   2.009
  182    HB   THR   6           HB       THR   6   8.810   6.591   3.154
  183    HG1  THR   6           HG1      THR   6   7.751   8.270   5.188
  184   HG21  THR   6          HG21      THR   6  10.619   6.378   4.509
  185   HG22  THR   6          HG22      THR   6   9.440   6.755   5.765
  186   HG23  THR   6          HG23      THR   6  10.484   8.025   5.125
  187    H    ILE   7           H        ILE   7  10.730  10.488   4.040
  188    HA   ILE   7           HA       ILE   7   8.402  11.970   5.054
  189    HB   ILE   7           HB       ILE   7  11.284  12.165   5.934
  190   HG12  ILE   7          HG12      ILE   7   8.932  10.921   7.371
  191   HG13  ILE   7          HG13      ILE   7  10.152  10.004   6.494
  192   HG21  ILE   7          HG21      ILE   7  10.629  14.135   6.751
  193   HG22  ILE   7          HG22      ILE   7   8.928  13.792   6.438
  194   HG23  ILE   7          HG23      ILE   7   9.687  13.208   7.918
  195   HD11  ILE   7          HD11      ILE   7  11.629  11.591   8.199
  196   HD12  ILE   7          HD12      ILE   7  10.228  11.119   9.161
  197   HD13  ILE   7          HD13      ILE   7  11.243   9.884   8.419
  198    H    HIS   8           H        HIS   8  10.837  12.049   2.710
  199    HA   HIS   8           HA       HIS   8  10.394  14.932   2.289
  200    HB2  HIS   8           HB2      HIS   8  12.858  13.488   2.582
  201    HB3  HIS   8           HB3      HIS   8  12.771  14.168   0.959
  202    HD1  HIS   8           HD1      HIS   8  14.020  16.293   0.942
  203    HD2  HIS   8           HD2      HIS   8  11.866  15.806   4.462
  204    HE1  HIS   8           HE1      HIS   8  14.408  18.396   2.264
  205    H    ASN   9           H        ASN   9   9.666  11.955   1.157
  206    HA   ASN   9           HA       ASN   9   9.955  12.518  -1.675
  207    HB2  ASN   9           HB2      ASN   9  10.280  10.260  -1.348
  208    HB3  ASN   9           HB3      ASN   9   9.100  10.169  -0.045
  209   HD21  ASN   9          HD21      ASN   9   7.632   8.746  -0.649
  210   HD22  ASN   9          HD22      ASN   9   6.816   8.719  -2.172
  211    H    LEU  10           H        LEU  10   7.213  11.686   0.454
  212    HA   LEU  10           HA       LEU  10   5.508  13.373  -1.256
  213    HB2  LEU  10           HB2      LEU  10   3.768  11.859  -1.147
  214    HB3  LEU  10           HB3      LEU  10   5.181  10.817  -1.303
  215    HG   LEU  10           HG       LEU  10   3.779  11.418   1.299
  216   HD11  LEU  10          HD11      LEU  10   3.077   8.984   1.050
  217   HD12  LEU  10          HD12      LEU  10   3.489   9.157  -0.655
  218   HD13  LEU  10          HD13      LEU  10   2.232  10.170   0.055
  219   HD21  LEU  10          HD21      LEU  10   6.202   9.920   0.531
  220   HD22  LEU  10          HD22      LEU  10   5.130   9.129   1.687
  221   HD23  LEU  10          HD23      LEU  10   5.795  10.724   2.047
  222    H    PHE  11           H        PHE  11   6.854  13.020   1.752
  223    HA   PHE  11           HA       PHE  11   4.650  13.978   3.335
  224    HB2  PHE  11           HB2      PHE  11   7.260  12.894   3.825
  225    HB3  PHE  11           HB3      PHE  11   7.096  14.415   4.697
  226    HD1  PHE  11           HD1      PHE  11   6.996  13.606   6.903
  227    HD2  PHE  11           HD2      PHE  11   4.365  12.044   3.945
  228    HE1  PHE  11           HE1      PHE  11   5.709  12.459   8.658
  229    HE2  PHE  11           HE2      PHE  11   3.072  10.896   5.695
  230    HZ   PHE  11           HZ       PHE  11   3.744  11.104   8.055
  231    H    ARG  12           H        ARG  12   6.591  15.426   1.105
  232    HA   ARG  12           HA       ARG  12   7.154  17.903   2.419
  233    HB2  ARG  12           HB2      ARG  12   7.864  18.690   0.254
  234    HB3  ARG  12           HB3      ARG  12   8.452  17.050   0.479
  235    HG2  ARG  12           HG2      ARG  12   6.426  16.290  -0.837
  236    HG3  ARG  12           HG3      ARG  12   6.188  17.989  -1.253
  237    HD2  ARG  12           HD2      ARG  12   8.930  17.232  -1.670
  238    HD3  ARG  12           HD3      ARG  12   7.855  16.125  -2.525
  239    HE   ARG  12           HE       ARG  12   6.985  18.720  -3.043
  240   HH11  ARG  12          HH11      ARG  12   9.758  16.710  -3.667
  241   HH12  ARG  12          HH12      ARG  12  10.166  17.507  -5.150
  242   HH21  ARG  12          HH21      ARG  12   7.512  19.779  -4.993
  243   HH22  ARG  12          HH22      ARG  12   8.888  19.253  -5.903
  244    H    LYS  13           H        LYS  13   4.322  16.541   1.330
  245    HA   LYS  13           HA       LYS  13   3.071  19.188   0.987
  246    HB2  LYS  13           HB2      LYS  13   2.699  16.632  -0.487
  247    HB3  LYS  13           HB3      LYS  13   1.265  17.609  -0.195
  248    HG2  LYS  13           HG2      LYS  13   3.129  19.430  -1.116
  249    HG3  LYS  13           HG3      LYS  13   3.417  17.989  -2.093
  250    HD2  LYS  13           HD2      LYS  13   0.983  17.914  -2.596
  251    HD3  LYS  13           HD3      LYS  13   0.797  19.441  -1.730
  252    HE2  LYS  13           HE2      LYS  13   2.457  18.955  -4.201
  253    HE3  LYS  13           HE3      LYS  13   0.945  19.857  -4.108
  254    HZ1  LYS  13           HZ1      LYS  13   3.618  20.703  -3.492
  255    HZ2  LYS  13           HZ2      LYS  13   2.514  21.076  -2.265
  256    HZ3  LYS  13           HZ3      LYS  13   2.245  21.629  -3.841
  257    H    LEU  14           H        LEU  14   1.789  15.914   1.515
  258    HA   LEU  14           HA       LEU  14   0.278  16.974   3.806
  259    HB2  LEU  14           HB2      LEU  14  -0.262  14.826   1.804
  260    HB3  LEU  14           HB3      LEU  14  -1.015  14.738   3.396
  261    HG   LEU  14           HG       LEU  14  -1.359  17.332   2.102
  262   HD11  LEU  14          HD11      LEU  14  -2.282  14.826   0.737
  263   HD12  LEU  14          HD12      LEU  14  -1.487  16.239   0.043
  264   HD13  LEU  14          HD13      LEU  14  -3.164  16.345   0.579
  265   HD21  LEU  14          HD21      LEU  14  -3.519  17.163   2.980
  266   HD22  LEU  14          HD22      LEU  14  -2.505  16.333   4.160
  267   HD23  LEU  14          HD23      LEU  14  -3.467  15.400   3.013
  268    H    THR  15           H        THR  15   1.298  16.563   5.656
  269    HA   THR  15           HA       THR  15   2.760  14.042   5.968
  270    HB   THR  15           HB       THR  15   3.446  15.203   8.200
  271    HG1  THR  15           HG1      THR  15   2.148  16.982   8.224
  272   HG21  THR  15          HG21      THR  15   4.538  15.132   5.619
  273   HG22  THR  15          HG22      THR  15   5.388  15.446   7.132
  274   HG23  THR  15          HG23      THR  15   4.752  16.789   6.183
  275    H    HIS  16           H        HIS  16   1.317  12.486   6.509
  276    HA   HIS  16           HA       HIS  16  -0.332  12.974   8.902
  277    HB2  HIS  16           HB2      HIS  16  -1.740  12.767   6.904
  278    HB3  HIS  16           HB3      HIS  16  -0.997  11.214   6.532
  279    HD1  HIS  16           HD1      HIS  16  -3.492  10.282   6.658
  280    HD2  HIS  16           HD2      HIS  16  -1.874  11.615  10.245
  281    HE1  HIS  16           HE1      HIS  16  -4.967   9.326   8.456
  282    H    ARG  17           H        ARG  17  -0.308   9.866   7.427
  283    HA   ARG  17           HA       ARG  17   1.570   8.877   9.468
  284    HB2  ARG  17           HB2      ARG  17   0.174   6.972   9.884
  285    HB3  ARG  17           HB3      ARG  17  -0.818   8.415  10.051
  286    HG2  ARG  17           HG2      ARG  17  -1.564   8.019   7.668
  287    HG3  ARG  17           HG3      ARG  17  -0.786   6.440   7.790
  288    HD2  ARG  17           HD2      ARG  17  -2.215   6.280   9.994
  289    HD3  ARG  17           HD3      ARG  17  -3.209   7.483   9.174
  290    HE   ARG  17           HE       ARG  17  -3.087   4.707   8.599
  291   HH11  ARG  17          HH11      ARG  17  -3.435   7.828   7.094
  292   HH12  ARG  17          HH12      ARG  17  -4.326   7.220   5.739
  293   HH21  ARG  17          HH21      ARG  17  -4.259   3.895   6.818
  294   HH22  ARG  17          HH22      ARG  17  -4.796   4.983   5.583
  295    H    LEU  18           H        LEU  18   2.103   9.530   6.711
  296    HA   LEU  18           HA       LEU  18   2.357   6.940   5.390
  297    HB2  LEU  18           HB2      LEU  18   3.352   9.542   4.289
  298    HB3  LEU  18           HB3      LEU  18   2.831   8.099   3.422
  299    HG   LEU  18           HG       LEU  18   0.882   9.742   5.003
  300   HD11  LEU  18          HD11      LEU  18   0.836  11.396   3.520
  301   HD12  LEU  18          HD12      LEU  18   0.855  10.274   2.160
  302   HD13  LEU  18          HD13      LEU  18   2.371  10.779   2.907
  303   HD21  LEU  18          HD21      LEU  18   0.799   7.438   3.248
  304   HD22  LEU  18          HD22      LEU  18  -0.277   8.723   2.701
  305   HD23  LEU  18          HD23      LEU  18  -0.436   8.076   4.334
  306    H    PHE  19           H        PHE  19   3.913   7.698   7.805
  307    HA   PHE  19           HA       PHE  19   6.627   7.547   6.673
  308    HB2  PHE  19           HB2      PHE  19   6.369   9.518   8.045
  309    HB3  PHE  19           HB3      PHE  19   5.691   8.565   9.360
  310    HD1  PHE  19           HD1      PHE  19   8.568   7.472   7.358
  311    HD2  PHE  19           HD2      PHE  19   7.279   9.249  11.004
  312    HE1  PHE  19           HE1      PHE  19  10.823   7.175   8.297
  313    HE2  PHE  19           HE2      PHE  19   9.531   8.955  11.949
  314    HZ   PHE  19           HZ       PHE  19  11.308   7.917  10.595
  315    H    ARG  20           H        ARG  20   4.630   6.372   9.373
  316    HA   ARG  20           HA       ARG  20   6.305   3.948   9.438
  317    HB2  ARG  20           HB2      ARG  20   5.379   3.736  11.819
  318    HB3  ARG  20           HB3      ARG  20   6.594   4.973  11.528
  319    HG2  ARG  20           HG2      ARG  20   5.209   6.609  12.123
  320    HG3  ARG  20           HG3      ARG  20   3.896   5.964  11.137
  321    HD2  ARG  20           HD2      ARG  20   3.112   4.602  12.852
  322    HD3  ARG  20           HD3      ARG  20   4.645   4.655  13.723
  323    HE   ARG  20           HE       ARG  20   3.509   7.239  13.586
  324   HH11  ARG  20          HH11      ARG  20   3.117   4.164  15.170
  325   HH12  ARG  20          HH12      ARG  20   2.383   4.840  16.587
  326   HH21  ARG  20          HH21      ARG  20   2.544   8.141  15.445
  327   HH22  ARG  20          HH22      ARG  20   2.057   7.102  16.741
  328    H    ARG  21           H        ARG  21   3.030   5.230   9.556
  329    HA   ARG  21           HA       ARG  21   1.761   2.680   9.794
  330    HB2  ARG  21           HB2      ARG  21   0.906   5.180  10.242
  331    HB3  ARG  21           HB3      ARG  21   0.290   4.973   8.608
  332    HG2  ARG  21           HG2      ARG  21  -1.443   3.852   9.398
  333    HG3  ARG  21           HG3      ARG  21  -0.358   2.642  10.085
  334    HD2  ARG  21           HD2      ARG  21  -0.118   4.000  12.103
  335    HD3  ARG  21           HD3      ARG  21  -1.189   5.219  11.413
  336    HE   ARG  21           HE       ARG  21  -2.497   2.728  11.440
  337   HH11  ARG  21          HH11      ARG  21  -1.397   5.224  13.603
  338   HH12  ARG  21          HH12      ARG  21  -2.612   4.904  14.797
  339   HH21  ARG  21          HH21      ARG  21  -4.100   2.298  13.005
  340   HH22  ARG  21          HH22      ARG  21  -4.148   3.239  14.456
  341    H    ASN  22           H        ASN  22   3.385   4.140   7.282
  342    HA   ASN  22           HA       ASN  22   1.924   2.529   5.296
  343    HB2  ASN  22           HB2      ASN  22   1.655   5.011   4.994
  344    HB3  ASN  22           HB3      ASN  22   3.393   5.108   4.721
  345   HD21  ASN  22          HD21      ASN  22   0.359   3.909   3.483
  346   HD22  ASN  22          HD22      ASN  22   0.897   3.661   1.860
  347    H    PHE  23           H        PHE  23   5.063   4.153   5.793
  348    HA   PHE  23           HA       PHE  23   6.370   1.952   4.369
  349    HB2  PHE  23           HB2      PHE  23   7.257   4.736   5.108
  350    HB3  PHE  23           HB3      PHE  23   8.393   3.519   4.532
  351    HD1  PHE  23           HD1      PHE  23   5.843   5.895   3.622
  352    HD2  PHE  23           HD2      PHE  23   8.119   2.572   2.246
  353    HE1  PHE  23           HE1      PHE  23   5.277   6.474   1.299
  354    HE2  PHE  23           HE2      PHE  23   7.558   3.147  -0.080
  355    HZ   PHE  23           HZ       PHE  23   6.135   5.100  -0.556
  356    H    GLY  24           H        GLY  24   5.364   2.147   7.297
  357    HA2  GLY  24           HA2      GLY  24   7.910   1.452   8.611
  358    HA3  GLY  24           HA3      GLY  24   6.462   1.994   9.446
  359    H    TYR  25           H        TYR  25   5.013   0.109   7.428
  360    HA   TYR  25           HA       TYR  25   4.890  -2.110   9.248
  361    HB2  TYR  25           HB2      TYR  25   3.283  -1.050   7.096
  362    HB3  TYR  25           HB3      TYR  25   3.496  -2.786   6.904
  363    HD1  TYR  25           HD1      TYR  25   2.202  -0.147   9.129
  364    HD2  TYR  25           HD2      TYR  25   2.452  -4.332   8.403
  365    HE1  TYR  25           HE1      TYR  25   0.456  -0.538  10.817
  366    HE2  TYR  25           HE2      TYR  25   0.706  -4.735  10.088
  367    HH   TYR  25           HH       TYR  25  -1.057  -3.612  11.216
  368    H    THR  26           H        THR  26   6.755  -1.333   6.527
  369    HA   THR  26           HA       THR  26   7.186  -4.030   5.606
  370    HB   THR  26           HB       THR  26   8.151  -1.340   4.824
  371    HG1  THR  26           HG1      THR  26   6.917  -1.966   3.232
  372   HG21  THR  26          HG21      THR  26  10.285  -2.410   5.168
  373   HG22  THR  26          HG22      THR  26   9.963  -2.330   3.437
  374   HG23  THR  26          HG23      THR  26   9.745  -3.849   4.305
  375    H    LEU  27           H        LEU  27   9.209  -1.591   7.241
  376    HA   LEU  27           HA       LEU  27  11.348  -3.408   7.728
  377    HB2  LEU  27           HB2      LEU  27  11.035  -0.689   7.823
  378    HB3  LEU  27           HB3      LEU  27  11.150  -1.113   9.529
  379    HG   LEU  27           HG       LEU  27  13.201  -1.950   7.489
  380   HD11  LEU  27          HD11      LEU  27  14.486  -0.068   7.955
  381   HD12  LEU  27          HD12      LEU  27  13.535   0.349   9.380
  382   HD13  LEU  27          HD13      LEU  27  12.856   0.581   7.770
  383   HD21  LEU  27          HD21      LEU  27  13.314  -3.297   9.431
  384   HD22  LEU  27          HD22      LEU  27  13.098  -1.908  10.496
  385   HD23  LEU  27          HD23      LEU  27  14.596  -2.096   9.585
  386    H    ARG  28           H        ARG  28   8.340  -3.387   8.980
  387    HA   ARG  28           HA       ARG  28   8.639  -3.593  11.742
  388    HB2  ARG  28           HB2      ARG  28   6.497  -3.561  10.280
  389    HB3  ARG  28           HB3      ARG  28   6.698  -5.308  10.222
  390    HG2  ARG  28           HG2      ARG  28   6.790  -4.034  12.891
  391    HG3  ARG  28           HG3      ARG  28   5.229  -4.080  12.068
  392    HD2  ARG  28           HD2      ARG  28   4.978  -6.212  12.632
  393    HD3  ARG  28           HD3      ARG  28   6.466  -6.623  11.782
  394    HE   ARG  28           HE       ARG  28   7.174  -5.559  14.256
  395   HH11  ARG  28          HH11      ARG  28   5.513  -8.339  12.978
  396   HH12  ARG  28          HH12      ARG  28   5.945  -9.369  14.302
  397   HH21  ARG  28          HH21      ARG  28   7.750  -6.906  16.006
  398   HH22  ARG  28          HH22      ARG  28   7.216  -8.553  16.024
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   1.843   1.484  -0.262
    2    HA   VAL   1           HA       VAL   1   2.153  -0.469  -2.057
    3    HB   VAL   1           HB       VAL   1   2.633   1.998  -3.697
    4   HG11  VAL   1          HG11      VAL   1   2.274  -0.931  -4.294
    5   HG12  VAL   1          HG12      VAL   1   2.298   0.317  -5.543
    6   HG13  VAL   1          HG13      VAL   1   3.717   0.056  -4.527
    7   HG21  VAL   1          HG21      VAL   1   0.430   1.447  -4.820
    8   HG22  VAL   1          HG22      VAL   1   0.057   0.474  -3.397
    9   HG23  VAL   1          HG23      VAL   1   0.325   2.208  -3.232
   10    H    ALA   2           H        ALA   2   4.364  -0.765  -2.878
   11    HA   ALA   2           HA       ALA   2   6.279   0.664  -1.177
   12    HB1  ALA   2           HB1      ALA   2   6.089  -1.854  -1.102
   13    HB2  ALA   2           HB2      ALA   2   6.793  -1.867  -2.719
   14    HB3  ALA   2           HB3      ALA   2   7.710  -1.208  -1.364
   15    H    ARG   3           H        ARG   3   5.873   2.436  -2.895
   16    HA   ARG   3           HA       ARG   3   7.842   2.088  -5.060
   17    HB2  ARG   3           HB2      ARG   3   5.957   4.240  -5.528
   18    HB3  ARG   3           HB3      ARG   3   6.390   2.888  -6.564
   19    HG2  ARG   3           HG2      ARG   3   4.790   1.467  -5.424
   20    HG3  ARG   3           HG3      ARG   3   4.387   2.782  -4.318
   21    HD2  ARG   3           HD2      ARG   3   4.096   3.858  -6.878
   22    HD3  ARG   3           HD3      ARG   3   3.399   2.241  -6.975
   23    HE   ARG   3           HE       ARG   3   1.675   2.942  -5.642
   24   HH11  ARG   3          HH11      ARG   3   4.282   5.242  -5.444
   25   HH12  ARG   3          HH12      ARG   3   3.364   6.401  -4.538
   26   HH21  ARG   3          HH21      ARG   3   0.457   4.459  -4.451
   27   HH22  ARG   3          HH22      ARG   3   1.189   5.953  -3.973
   28    H    GLY   4           H        GLY   4   7.273   3.573  -2.175
   29    HA2  GLY   4           HA2      GLY   4   8.738   6.021  -2.909
   30    HA3  GLY   4           HA3      GLY   4   7.774   5.814  -1.455
   31    H    TRP   5           H        TRP   5   9.453   3.013  -1.875
   32    HA   TRP   5           HA       TRP   5  11.692   3.970  -0.214
   33    HB2  TRP   5           HB2      TRP   5   9.853   1.659   0.118
   34    HB3  TRP   5           HB3      TRP   5  11.545   1.397   0.533
   35    HD1  TRP   5           HD1      TRP   5  10.253   4.869   1.218
   36    HE1  TRP   5           HE1      TRP   5   9.970   5.195   3.755
   37    HE3  TRP   5           HE3      TRP   5  10.908   0.031   2.733
   38    HZ2  TRP   5           HZ2      TRP   5  10.019   3.609   6.090
   39    HZ3  TRP   5           HZ3      TRP   5  10.775  -0.480   5.136
   40    HH2  TRP   5           HH2      TRP   5  10.341   1.274   6.779
   41    H    LYS   6           H        LYS   6  10.677   2.135  -2.945
   42    HA   LYS   6           HA       LYS   6  13.472   1.343  -3.442
   43    HB2  LYS   6           HB2      LYS   6  12.301  -0.682  -3.145
   44    HB3  LYS   6           HB3      LYS   6  10.903  -0.103  -4.042
   45    HG2  LYS   6           HG2      LYS   6  13.323  -0.127  -5.648
   46    HG3  LYS   6           HG3      LYS   6  12.908  -1.719  -5.010
   47    HD2  LYS   6           HD2      LYS   6  10.605  -0.258  -6.048
   48    HD3  LYS   6           HD3      LYS   6  11.845  -0.559  -7.268
   49    HE2  LYS   6           HE2      LYS   6  11.747  -2.901  -6.915
   50    HE3  LYS   6           HE3      LYS   6  10.786  -2.710  -5.449
   51    HZ1  LYS   6           HZ1      LYS   6   9.503  -1.509  -7.682
   52    HZ2  LYS   6           HZ2      LYS   6   8.928  -2.706  -6.635
   53    HZ3  LYS   6           HZ3      LYS   6   9.840  -3.136  -7.994
   54    H    ARG   7           H        ARG   7  10.404   1.900  -5.180
   55    HA   ARG   7           HA       ARG   7  11.555   2.443  -7.671
   56    HB2  ARG   7           HB2      ARG   7   8.928   3.275  -6.448
   57    HB3  ARG   7           HB3      ARG   7   9.364   3.667  -8.106
   58    HG2  ARG   7           HG2      ARG   7   9.727   1.166  -8.427
   59    HG3  ARG   7           HG3      ARG   7   8.881   0.970  -6.891
   60    HD2  ARG   7           HD2      ARG   7   6.961   1.059  -8.005
   61    HD3  ARG   7           HD3      ARG   7   7.321   2.740  -8.395
   62    HE   ARG   7           HE       ARG   7   8.625   0.978 -10.196
   63   HH11  ARG   7          HH11      ARG   7   5.515   2.343  -9.432
   64   HH12  ARG   7          HH12      ARG   7   4.917   2.219 -11.053
   65   HH21  ARG   7          HH21      ARG   7   7.848   0.808 -12.334
   66   HH22  ARG   7          HH22      ARG   7   6.245   1.344 -12.703
   67    H    LYS   8           H        LYS   8  10.278   4.769  -5.283
   68    HA   LYS   8           HA       LYS   8  11.087   7.097  -6.559
   69    HB2  LYS   8           HB2      LYS   8  10.508   6.370  -3.722
   70    HB3  LYS   8           HB3      LYS   8  11.244   7.932  -4.051
   71    HG2  LYS   8           HG2      LYS   8   8.656   6.933  -5.223
   72    HG3  LYS   8           HG3      LYS   8   8.814   8.084  -3.894
   73    HD2  LYS   8           HD2      LYS   8  10.390   8.915  -6.161
   74    HD3  LYS   8           HD3      LYS   8   8.709   8.654  -6.630
   75    HE2  LYS   8           HE2      LYS   8   8.000  10.451  -5.498
   76    HE3  LYS   8           HE3      LYS   8   9.004  10.075  -4.098
   77    HZ1  LYS   8           HZ1      LYS   8   9.431  12.013  -6.082
   78    HZ2  LYS   8           HZ2      LYS   8  10.692  10.889  -6.164
   79    HZ3  LYS   8           HZ3      LYS   8  10.366  11.689  -4.709
   80    H    CYS   9           H        CYS   9  12.710   5.972  -3.605
   81    HA   CYS   9           HA       CYS   9  15.280   6.693  -4.853
   82    HB2  CYS   9           HB2      CYS   9  14.083   7.804  -2.565
   83    HB3  CYS   9           HB3      CYS   9  15.376   6.769  -1.969
   84    HG   CYS   9           HG       CYS   9  17.023   8.155  -4.150
   85    HA   PRO  10           HA       PRO  10  16.189   2.400  -4.126
   86    HB2  PRO  10           HB2      PRO  10  18.744   2.493  -5.039
   87    HB3  PRO  10           HB3      PRO  10  17.341   2.471  -6.113
   88    HG2  PRO  10           HG2      PRO  10  19.004   4.793  -5.216
   89    HG3  PRO  10           HG3      PRO  10  18.372   4.427  -6.832
   90    HD2  PRO  10           HD2      PRO  10  17.203   6.228  -5.184
   91    HD3  PRO  10           HD3      PRO  10  16.276   5.244  -6.334
   92    H    LEU  11           H        LEU  11  16.374   4.296  -1.918
   93    HA   LEU  11           HA       LEU  11  18.951   3.787  -0.683
   94    HB2  LEU  11           HB2      LEU  11  16.513   5.339   0.126
   95    HB3  LEU  11           HB3      LEU  11  17.828   5.027   1.258
   96    HG   LEU  11           HG       LEU  11  18.216   6.443  -1.373
   97   HD11  LEU  11          HD11      LEU  11  17.136   7.415   1.176
   98   HD12  LEU  11          HD12      LEU  11  17.011   8.094  -0.446
   99   HD13  LEU  11          HD13      LEU  11  18.463   8.370   0.516
  100   HD21  LEU  11          HD21      LEU  11  20.234   5.485  -0.460
  101   HD22  LEU  11          HD22      LEU  11  19.900   6.199   1.118
  102   HD23  LEU  11          HD23      LEU  11  20.274   7.237  -0.259
  103    H    PHE  12           H        PHE  12  15.611   2.741  -0.396
  104    HA   PHE  12           HA       PHE  12  16.422   0.849   1.710
  105    HB2  PHE  12           HB2      PHE  12  14.548   2.559   2.147
  106    HB3  PHE  12           HB3      PHE  12  13.574   1.578   1.058
  107    HD1  PHE  12           HD1      PHE  12  14.771   1.989   4.392
  108    HD2  PHE  12           HD2      PHE  12  13.260  -0.880   1.633
  109    HE1  PHE  12           HE1      PHE  12  14.197   0.497   6.262
  110    HE2  PHE  12           HE2      PHE  12  12.683  -2.375   3.499
  111    HZ   PHE  12           HZ       PHE  12  13.150  -1.688   5.817
  112    H    GLY  13           H        GLY  13  15.157   1.183  -1.489
  113    HA2  GLY  13           HA2      GLY  13  14.045  -1.430  -1.738
  114    HA3  GLY  13           HA3      GLY  13  14.462  -0.351  -3.059
  115    H    LYS  14           H        LYS  14  16.126  -0.895  -4.311
  116    HA   LYS  14           HA       LYS  14  17.450  -3.344  -4.045
  117    HB2  LYS  14           HB2      LYS  14  18.929  -2.518  -5.856
  118    HB3  LYS  14           HB3      LYS  14  17.222  -2.275  -6.204
  119    HG2  LYS  14           HG2      LYS  14  17.772   0.087  -5.075
  120    HG3  LYS  14           HG3      LYS  14  19.365  -0.302  -5.730
  121    HD2  LYS  14           HD2      LYS  14  18.213   0.929  -7.405
  122    HD3  LYS  14           HD3      LYS  14  18.231  -0.756  -7.931
  123    HE2  LYS  14           HE2      LYS  14  15.984  -1.014  -7.633
  124    HE3  LYS  14           HE3      LYS  14  15.914   0.156  -6.316
  125    HZ1  LYS  14           HZ1      LYS  14  16.168   1.934  -7.944
  126    HZ2  LYS  14           HZ2      LYS  14  14.799   0.997  -8.274
  127    HZ3  LYS  14           HZ3      LYS  14  16.200   0.802  -9.202
  128    H    GLY  15           H        GLY  15  18.123  -0.255  -2.671
  129    HA2  GLY  15           HA2      GLY  15  20.883  -0.973  -2.030
  130    HA3  GLY  15           HA3      GLY  15  20.115   0.576  -1.722
  131    H    GLY  16           H        GLY  16  18.440  -2.317  -0.829
  132    HA2  GLY  16           HA2      GLY  16  18.057  -1.571   1.823
  133    HA3  GLY  16           HA3      GLY  16  17.890  -3.211   1.212
  134    H1   LYS   1           H        LYS   1  17.134   5.811   6.778
  135    HA   LYS   1           HA       LYS   1  17.989   6.027   3.966
  136    HB2  LYS   1           HB2      LYS   1  17.961   3.634   5.804
  137    HB3  LYS   1           HB3      LYS   1  18.129   3.494   4.059
  138    HG2  LYS   1           HG2      LYS   1  19.989   5.341   5.421
  139    HG3  LYS   1           HG3      LYS   1  20.210   3.616   5.722
  140    HD2  LYS   1           HD2      LYS   1  20.649   3.155   3.484
  141    HD3  LYS   1           HD3      LYS   1  19.887   4.646   2.928
  142    HE2  LYS   1           HE2      LYS   1  22.300   4.796   4.677
  143    HE3  LYS   1           HE3      LYS   1  22.497   4.410   2.968
  144    HZ1  LYS   1           HZ1      LYS   1  22.121   6.511   2.400
  145    HZ2  LYS   1           HZ2      LYS   1  22.292   6.909   4.035
  146    HZ3  LYS   1           HZ3      LYS   1  20.753   6.637   3.388
  147    H    TYR   2           H        TYR   2  15.385   5.699   6.072
  148    HA   TYR   2           HA       TYR   2  13.668   4.720   3.887
  149    HB2  TYR   2           HB2      TYR   2  12.185   4.269   6.138
  150    HB3  TYR   2           HB3      TYR   2  13.172   3.058   5.329
  151    HD1  TYR   2           HD1      TYR   2  13.019   5.398   8.171
  152    HD2  TYR   2           HD2      TYR   2  15.186   2.232   6.329
  153    HE1  TYR   2           HE1      TYR   2  14.349   5.122  10.221
  154    HE2  TYR   2           HE2      TYR   2  16.521   1.947   8.376
  155    HH   TYR   2           HH       TYR   2  16.733   2.526  10.530
  156    H    GLU   3           H        GLU   3  13.740   6.758   6.800
  157    HA   GLU   3           HA       GLU   3  11.315   8.060   6.467
  158    HB2  GLU   3           HB2      GLU   3  12.358   9.921   7.778
  159    HB3  GLU   3           HB3      GLU   3  12.536   8.332   8.507
  160    HG2  GLU   3           HG2      GLU   3  14.813   8.467   7.067
  161    HG3  GLU   3           HG3      GLU   3  14.569  10.169   7.452
  162    H    ILE   4           H        ILE   4  14.513   8.970   5.219
  163    HA   ILE   4           HA       ILE   4  13.614  11.310   3.887
  164    HB   ILE   4           HB       ILE   4  15.758  11.497   2.975
  165   HG12  ILE   4          HG12      ILE   4  15.846   9.345   1.825
  166   HG13  ILE   4          HG13      ILE   4  17.324   9.601   2.746
  167   HG21  ILE   4          HG21      ILE   4  16.836   9.930   5.165
  168   HG22  ILE   4          HG22      ILE   4  16.855  11.674   4.905
  169   HG23  ILE   4          HG23      ILE   4  15.456  10.909   5.658
  170   HD11  ILE   4          HD11      ILE   4  15.064   7.724   3.302
  171   HD12  ILE   4          HD12      ILE   4  16.787   7.382   3.146
  172   HD13  ILE   4          HD13      ILE   4  16.179   8.217   4.575
  173    H    THR   5           H        THR   5  13.007   8.112   3.252
  174    HA   THR   5           HA       THR   5  12.863   8.484   0.346
  175    HB   THR   5           HB       THR   5  12.021   5.867   1.234
  176    HG1  THR   5           HG1      THR   5  14.725   6.378   1.850
  177   HG21  THR   5          HG21      THR   5  13.270   6.978  -0.935
  178   HG22  THR   5          HG22      THR   5  13.139   5.248  -0.615
  179   HG23  THR   5          HG23      THR   5  14.593   6.126  -0.141
  180    H    THR   6           H        THR   6  10.896   7.896   3.186
  181    HA   THR   6           HA       THR   6   8.469   7.679   1.584
  182    HB   THR   6           HB       THR   6   7.728   7.778   4.277
  183    HG1  THR   6           HG1      THR   6   9.784   7.466   5.036
  184   HG21  THR   6          HG21      THR   6   7.987   5.721   2.160
  185   HG22  THR   6          HG22      THR   6   6.576   6.211   3.098
  186   HG23  THR   6          HG23      THR   6   7.781   5.140   3.812
  187    H    ILE   7           H        ILE   7  10.008   9.863   3.886
  188    HA   ILE   7           HA       ILE   7   7.841  11.669   4.124
  189    HB   ILE   7           HB       ILE   7  10.793  12.154   4.536
  190   HG12  ILE   7          HG12      ILE   7   8.635  11.626   6.584
  191   HG13  ILE   7          HG13      ILE   7   9.708  10.380   5.955
  192   HG21  ILE   7          HG21      ILE   7   9.701  14.259   4.210
  193   HG22  ILE   7          HG22      ILE   7   8.391  13.804   5.297
  194   HG23  ILE   7          HG23      ILE   7  10.014  14.065   5.934
  195   HD11  ILE   7          HD11      ILE   7  10.495  12.814   7.536
  196   HD12  ILE   7          HD12      ILE   7  10.528  11.134   8.071
  197   HD13  ILE   7          HD13      ILE   7  11.632  11.679   6.808
  198    H    HIS   8           H        HIS   8  10.613  11.493   1.950
  199    HA   HIS   8           HA       HIS   8  10.036  14.006   0.681
  200    HB2  HIS   8           HB2      HIS   8  12.187  12.143   0.695
  201    HB3  HIS   8           HB3      HIS   8  11.671  12.350  -0.976
  202    HD1  HIS   8           HD1      HIS   8  14.198  13.562   0.947
  203    HD2  HIS   8           HD2      HIS   8  11.175  15.510  -1.134
  204    HE1  HIS   8           HE1      HIS   8  15.044  15.899   0.562
  205    H    ASN   9           H        ASN   9   8.525  11.082   0.584
  206    HA   ASN   9           HA       ASN   9   7.611  11.499  -2.188
  207    HB2  ASN   9           HB2      ASN   9   8.785   9.376  -1.970
  208    HB3  ASN   9           HB3      ASN   9   7.765   8.923  -0.608
  209   HD21  ASN   9          HD21      ASN   9   6.909  10.441  -3.682
  210   HD22  ASN   9          HD22      ASN   9   5.840   9.188  -4.205
  211    H    LEU  10           H        LEU  10   6.750  11.845   0.976
  212    HA   LEU  10           HA       LEU  10   3.889  11.514   0.356
  213    HB2  LEU  10           HB2      LEU  10   3.466  10.634   2.398
  214    HB3  LEU  10           HB3      LEU  10   5.132  10.089   2.213
  215    HG   LEU  10           HG       LEU  10   5.572  12.423   3.459
  216   HD11  LEU  10          HD11      LEU  10   2.789  11.585   4.180
  217   HD12  LEU  10          HD12      LEU  10   3.410  13.194   3.813
  218   HD13  LEU  10          HD13      LEU  10   3.817  12.420   5.344
  219   HD21  LEU  10          HD21      LEU  10   6.040   9.886   4.028
  220   HD22  LEU  10          HD22      LEU  10   4.749  10.156   5.199
  221   HD23  LEU  10          HD23      LEU  10   6.205  11.151   5.246
  222    H    PHE  11           H        PHE  11   6.390  13.622   1.332
  223    HA   PHE  11           HA       PHE  11   5.124  15.545   2.845
  224    HB2  PHE  11           HB2      PHE  11   7.523  15.363   1.298
  225    HB3  PHE  11           HB3      PHE  11   6.762  16.918   0.974
  226    HD1  PHE  11           HD1      PHE  11   8.106  18.444   2.094
  227    HD2  PHE  11           HD2      PHE  11   6.772  14.946   4.119
  228    HE1  PHE  11           HE1      PHE  11   9.009  19.326   4.207
  229    HE2  PHE  11           HE2      PHE  11   7.672  15.823   6.234
  230    HZ   PHE  11           HZ       PHE  11   8.791  18.017   6.281
  231    H    ARG  12           H        ARG  12   4.676  14.777  -0.496
  232    HA   ARG  12           HA       ARG  12   3.643  17.163  -1.489
  233    HB2  ARG  12           HB2      ARG  12   2.891  14.316  -2.175
  234    HB3  ARG  12           HB3      ARG  12   2.418  15.725  -3.116
  235    HG2  ARG  12           HG2      ARG  12   4.999  16.174  -3.167
  236    HG3  ARG  12           HG3      ARG  12   5.089  14.445  -2.825
  237    HD2  ARG  12           HD2      ARG  12   4.980  14.235  -5.061
  238    HD3  ARG  12           HD3      ARG  12   3.251  14.481  -4.815
  239    HE   ARG  12           HE       ARG  12   4.510  16.978  -5.094
  240   HH11  ARG  12          HH11      ARG  12   3.684  14.160  -6.964
  241   HH12  ARG  12          HH12      ARG  12   3.560  15.028  -8.459
  242   HH21  ARG  12          HH21      ARG  12   4.348  18.132  -7.055
  243   HH22  ARG  12          HH22      ARG  12   3.939  17.287  -8.509
  244    H    LYS  13           H        LYS  13   2.298  14.923   0.755
  245    HA   LYS  13           HA       LYS  13  -0.351  16.174   0.518
  246    HB2  LYS  13           HB2      LYS  13   0.601  13.525   1.526
  247    HB3  LYS  13           HB3      LYS  13  -0.882  14.201   2.189
  248    HG2  LYS  13           HG2      LYS  13  -1.475  14.505  -0.362
  249    HG3  LYS  13           HG3      LYS  13  -0.307  13.195  -0.545
  250    HD2  LYS  13           HD2      LYS  13  -2.265  12.015  -0.278
  251    HD3  LYS  13           HD3      LYS  13  -1.687  12.095   1.387
  252    HE2  LYS  13           HE2      LYS  13  -3.123  14.091   1.730
  253    HE3  LYS  13           HE3      LYS  13  -3.762  13.868   0.102
  254    HZ1  LYS  13           HZ1      LYS  13  -4.730  11.819   0.714
  255    HZ2  LYS  13           HZ2      LYS  13  -5.139  12.912   1.939
  256    HZ3  LYS  13           HZ3      LYS  13  -3.912  11.775   2.196
  257    H    LEU  14           H        LEU  14   1.354  14.698   3.267
  258    HA   LEU  14           HA       LEU  14   0.800  17.150   4.804
  259    HB2  LEU  14           HB2      LEU  14   1.004  14.319   5.820
  260    HB3  LEU  14           HB3      LEU  14   0.676  15.749   6.797
  261    HG   LEU  14           HG       LEU  14  -1.322  15.773   4.874
  262   HD11  LEU  14          HD11      LEU  14  -1.186  12.982   5.965
  263   HD12  LEU  14          HD12      LEU  14  -0.525  13.398   4.384
  264   HD13  LEU  14          HD13      LEU  14  -2.243  13.629   4.710
  265   HD21  LEU  14          HD21      LEU  14  -1.732  14.472   7.529
  266   HD22  LEU  14          HD22      LEU  14  -2.741  15.646   6.684
  267   HD23  LEU  14          HD23      LEU  14  -1.240  16.164   7.452
  268    H    THR  15           H        THR  15   2.475  15.118   6.736
  269    HA   THR  15           HA       THR  15   5.080  16.237   5.922
  270    HB   THR  15           HB       THR  15   5.500  15.861   8.538
  271    HG1  THR  15           HG1      THR  15   3.473  16.730   9.536
  272   HG21  THR  15          HG21      THR  15   4.886  18.087   6.838
  273   HG22  THR  15          HG22      THR  15   5.936  18.028   8.253
  274   HG23  THR  15          HG23      THR  15   4.216  18.366   8.445
  275    H    HIS  16           H        HIS  16   4.560  14.070   8.617
  276    HA   HIS  16           HA       HIS  16   5.882  11.916   7.101
  277    HB2  HIS  16           HB2      HIS  16   6.888  11.259   9.354
  278    HB3  HIS  16           HB3      HIS  16   7.543  12.705   8.591
  279    HD1  HIS  16           HD1      HIS  16   6.863  15.008   9.663
  280    HD2  HIS  16           HD2      HIS  16   5.681  11.652  11.808
  281    HE1  HIS  16           HE1      HIS  16   6.239  15.856  11.947
  282    H    ARG  17           H        ARG  17   3.805  11.030   6.653
  283    HA   ARG  17           HA       ARG  17   2.556   9.733   8.985
  284    HB2  ARG  17           HB2      ARG  17   1.166  10.542   6.427
  285    HB3  ARG  17           HB3      ARG  17   0.416   9.851   7.860
  286    HG2  ARG  17           HG2      ARG  17   1.744  12.548   7.677
  287    HG3  ARG  17           HG3      ARG  17   0.007  12.236   7.734
  288    HD2  ARG  17           HD2      ARG  17   0.960  10.887   9.935
  289    HD3  ARG  17           HD3      ARG  17   1.968  12.333   9.889
  290    HE   ARG  17           HE       ARG  17  -0.599  13.234   9.545
  291   HH11  ARG  17          HH11      ARG  17   1.098  11.386  11.959
  292   HH12  ARG  17          HH12      ARG  17   0.108  11.941  13.267
  293   HH21  ARG  17          HH21      ARG  17  -1.910  13.972  11.260
  294   HH22  ARG  17          HH22      ARG  17  -1.604  13.412  12.868
  295    H    LEU  18           H        LEU  18   2.959   9.442   5.456
  296    HA   LEU  18           HA       LEU  18   2.310   6.701   5.328
  297    HB2  LEU  18           HB2      LEU  18   4.086   8.253   3.453
  298    HB3  LEU  18           HB3      LEU  18   3.233   6.751   3.100
  299    HG   LEU  18           HG       LEU  18   2.037   9.488   3.505
  300   HD11  LEU  18          HD11      LEU  18   3.123   8.604   1.277
  301   HD12  LEU  18          HD12      LEU  18   1.612   9.512   1.261
  302   HD13  LEU  18          HD13      LEU  18   1.586   7.754   1.131
  303   HD21  LEU  18          HD21      LEU  18   0.509   8.047   4.560
  304   HD22  LEU  18          HD22      LEU  18   0.742   6.780   3.356
  305   HD23  LEU  18          HD23      LEU  18  -0.115   8.260   2.925
  306    H    PHE  19           H        PHE  19   4.941   8.196   6.712
  307    HA   PHE  19           HA       PHE  19   7.055   6.460   6.009
  308    HB2  PHE  19           HB2      PHE  19   7.541   8.593   7.027
  309    HB3  PHE  19           HB3      PHE  19   6.617   8.169   8.463
  310    HD1  PHE  19           HD1      PHE  19   8.210   8.279  10.159
  311    HD2  PHE  19           HD2      PHE  19   9.060   6.077   6.616
  312    HE1  PHE  19           HE1      PHE  19  10.250   7.387  11.206
  313    HE2  PHE  19           HE2      PHE  19  11.100   5.182   7.659
  314    HZ   PHE  19           HZ       PHE  19  11.697   5.836   9.956
  315    H    ARG  20           H        ARG  20   4.874   6.494   8.821
  316    HA   ARG  20           HA       ARG  20   5.616   3.683   9.312
  317    HB2  ARG  20           HB2      ARG  20   4.797   5.839  11.260
  318    HB3  ARG  20           HB3      ARG  20   4.888   4.136  11.685
  319    HG2  ARG  20           HG2      ARG  20   7.203   4.078  11.482
  320    HG3  ARG  20           HG3      ARG  20   7.248   5.550  10.510
  321    HD2  ARG  20           HD2      ARG  20   6.958   6.928  12.343
  322    HD3  ARG  20           HD3      ARG  20   6.211   5.655  13.309
  323    HE   ARG  20           HE       ARG  20   8.954   5.120  12.677
  324   HH11  ARG  20          HH11      ARG  20   6.818   6.799  14.853
  325   HH12  ARG  20          HH12      ARG  20   7.958   6.829  16.157
  326   HH21  ARG  20          HH21      ARG  20  10.464   5.153  14.386
  327   HH22  ARG  20          HH22      ARG  20  10.032   5.894  15.889
  328    H    ARG  21           H        ARG  21   3.009   6.033   9.143
  329    HA   ARG  21           HA       ARG  21   0.913   4.287   9.895
  330    HB2  ARG  21           HB2      ARG  21   1.041   6.932   9.558
  331    HB3  ARG  21           HB3      ARG  21   0.376   6.505   7.986
  332    HG2  ARG  21           HG2      ARG  21  -1.647   6.221   8.843
  333    HG3  ARG  21           HG3      ARG  21  -1.030   5.133  10.089
  334    HD2  ARG  21           HD2      ARG  21  -0.185   7.390  11.155
  335    HD3  ARG  21           HD3      ARG  21  -1.483   8.075  10.179
  336    HE   ARG  21           HE       ARG  21  -1.764   6.576  12.581
  337   HH11  ARG  21          HH11      ARG  21  -3.270   7.222   9.509
  338   HH12  ARG  21          HH12      ARG  21  -4.869   6.859  10.069
  339   HH21  ARG  21          HH21      ARG  21  -3.865   6.096  13.330
  340   HH22  ARG  21          HH22      ARG  21  -5.206   6.219  12.243
  341    H    ASN  22           H        ASN  22   2.762   4.576   7.037
  342    HA   ASN  22           HA       ASN  22   0.863   2.822   5.623
  343    HB2  ASN  22           HB2      ASN  22   1.162   5.196   4.692
  344    HB3  ASN  22           HB3      ASN  22   2.779   4.680   4.222
  345   HD21  ASN  22          HD21      ASN  22   2.932   2.801   2.814
  346   HD22  ASN  22          HD22      ASN  22   1.684   2.526   1.651
  347    H    PHE  23           H        PHE  23   4.289   3.801   5.720
  348    HA   PHE  23           HA       PHE  23   5.078   1.185   4.713
  349    HB2  PHE  23           HB2      PHE  23   6.474   3.801   5.128
  350    HB3  PHE  23           HB3      PHE  23   7.429   2.327   5.014
  351    HD1  PHE  23           HD1      PHE  23   8.022   1.482   2.941
  352    HD2  PHE  23           HD2      PHE  23   4.812   4.263   3.221
  353    HE1  PHE  23           HE1      PHE  23   7.914   1.599   0.486
  354    HE2  PHE  23           HE2      PHE  23   4.698   4.384   0.766
  355    HZ   PHE  23           HZ       PHE  23   6.250   3.051  -0.605
  356    H    GLY  24           H        GLY  24   4.062   2.009   7.560
  357    HA2  GLY  24           HA2      GLY  24   6.264   0.731   9.056
  358    HA3  GLY  24           HA3      GLY  24   5.099   1.843   9.761
  359    H    TYR  25           H        TYR  25   2.931   0.471   8.160
  360    HA   TYR  25           HA       TYR  25   2.253  -1.454  10.184
  361    HB2  TYR  25           HB2      TYR  25   0.845   0.111   8.284
  362    HB3  TYR  25           HB3      TYR  25   0.467  -1.574   7.948
  363    HD1  TYR  25           HD1      TYR  25   0.220   1.129  10.417
  364    HD2  TYR  25           HD2      TYR  25  -0.788  -2.906   9.526
  365    HE1  TYR  25           HE1      TYR  25  -1.393   1.128  12.274
  366    HE2  TYR  25           HE2      TYR  25  -2.404  -2.919  11.379
  367    HH   TYR  25           HH       TYR  25  -2.938  -0.024  13.370
  368    H    THR  26           H        THR  26   3.973  -1.569   7.298
  369    HA   THR  26           HA       THR  26   3.291  -4.354   6.730
  370    HB   THR  26           HB       THR  26   4.659  -2.190   5.227
  371    HG1  THR  26           HG1      THR  26   2.494  -2.898   4.790
  372   HG21  THR  26          HG21      THR  26   6.432  -3.832   5.271
  373   HG22  THR  26          HG22      THR  26   5.675  -3.845   3.678
  374   HG23  THR  26          HG23      THR  26   5.301  -5.115   4.843
  375    H    LEU  27           H        LEU  27   6.226  -2.411   7.314
  376    HA   LEU  27           HA       LEU  27   7.907  -4.678   7.657
  377    HB2  LEU  27           HB2      LEU  27   9.618  -3.181   8.082
  378    HB3  LEU  27           HB3      LEU  27   8.532  -2.260   7.042
  379    HG   LEU  27           HG       LEU  27   7.612  -1.473   9.432
  380   HD11  LEU  27          HD11      LEU  27  10.320  -2.561   9.899
  381   HD12  LEU  27          HD12      LEU  27   8.954  -2.393  11.002
  382   HD13  LEU  27          HD13      LEU  27   9.954  -0.992  10.619
  383   HD21  LEU  27          HD21      LEU  27   8.480   0.551   8.885
  384   HD22  LEU  27          HD22      LEU  27   8.792  -0.281   7.360
  385   HD23  LEU  27          HD23      LEU  27  10.084  -0.102   8.548
  386    H    ARG  28           H        ARG  28   5.462  -3.607   9.546
  387    HA   ARG  28           HA       ARG  28   6.461  -3.576  12.149
  388    HB2  ARG  28           HB2      ARG  28   3.962  -3.392  10.973
  389    HB3  ARG  28           HB3      ARG  28   3.852  -4.867  11.926
  390    HG2  ARG  28           HG2      ARG  28   4.000  -3.768  13.906
  391    HG3  ARG  28           HG3      ARG  28   5.015  -2.485  13.244
  392    HD2  ARG  28           HD2      ARG  28   3.221  -1.286  12.452
  393    HD3  ARG  28           HD3      ARG  28   2.195  -2.713  12.315
  394    HE   ARG  28           HE       ARG  28   1.525  -2.406  14.486
  395   HH11  ARG  28          HH11      ARG  28   4.331  -0.444  13.852
  396   HH12  ARG  28          HH12      ARG  28   4.230   0.416  15.352
  397   HH21  ARG  28          HH21      ARG  28   1.382  -1.280  16.465
  398   HH22  ARG  28          HH22      ARG  28   2.553  -0.061  16.839
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   1.467  -1.910  -3.822
    2    HA   VAL   1           HA       VAL   1   1.816   0.330  -3.529
    3    HB   VAL   1           HB       VAL   1   1.008   1.236  -1.345
    4   HG11  VAL   1          HG11      VAL   1  -1.308  -0.107  -1.626
    5   HG12  VAL   1          HG12      VAL   1  -0.779   1.167  -2.726
    6   HG13  VAL   1          HG13      VAL   1  -0.523  -0.527  -3.147
    7   HG21  VAL   1          HG21      VAL   1   0.291  -0.136   0.400
    8   HG22  VAL   1          HG22      VAL   1   0.284  -1.581  -0.611
    9   HG23  VAL   1          HG23      VAL   1   1.815  -0.868  -0.103
   10    H    ALA   2           H        ALA   2   4.191  -1.064  -3.350
   11    HA   ALA   2           HA       ALA   2   5.621   0.397  -1.226
   12    HB1  ALA   2           HB1      ALA   2   5.520  -2.178  -1.115
   13    HB2  ALA   2           HB2      ALA   2   6.681  -2.126  -2.443
   14    HB3  ALA   2           HB3      ALA   2   7.079  -1.382  -0.894
   15    H    ARG   3           H        ARG   3   5.626   2.114  -2.922
   16    HA   ARG   3           HA       ARG   3   7.786   1.664  -4.875
   17    HB2  ARG   3           HB2      ARG   3   6.663   3.791  -5.943
   18    HB3  ARG   3           HB3      ARG   3   6.009   2.185  -6.238
   19    HG2  ARG   3           HG2      ARG   3   4.944   3.670  -3.910
   20    HG3  ARG   3           HG3      ARG   3   4.495   4.244  -5.517
   21    HD2  ARG   3           HD2      ARG   3   4.208   1.471  -5.625
   22    HD3  ARG   3           HD3      ARG   3   3.556   1.939  -4.055
   23    HE   ARG   3           HE       ARG   3   2.433   3.711  -5.782
   24   HH11  ARG   3          HH11      ARG   3   2.607   0.237  -5.635
   25   HH12  ARG   3          HH12      ARG   3   1.083  -0.003  -6.426
   26   HH21  ARG   3          HH21      ARG   3   0.426   3.409  -6.824
   27   HH22  ARG   3          HH22      ARG   3  -0.155   1.802  -7.102
   28    H    GLY   4           H        GLY   4   6.767   3.425  -2.134
   29    HA2  GLY   4           HA2      GLY   4   8.421   5.737  -2.544
   30    HA3  GLY   4           HA3      GLY   4   7.607   5.286  -1.052
   31    H    TRP   5           H        TRP   5   9.107   2.558  -1.688
   32    HA   TRP   5           HA       TRP   5  11.617   3.392  -0.385
   33    HB2  TRP   5           HB2      TRP   5   9.747   1.143   0.182
   34    HB3  TRP   5           HB3      TRP   5  11.470   0.851   0.404
   35    HD1  TRP   5           HD1      TRP   5  10.549   4.373   1.200
   36    HE1  TRP   5           HE1      TRP   5  10.476   4.712   3.751
   37    HE3  TRP   5           HE3      TRP   5  10.756  -0.518   2.675
   38    HZ2  TRP   5           HZ2      TRP   5  10.504   3.117   6.079
   39    HZ3  TRP   5           HZ3      TRP   5  10.729  -1.025   5.083
   40    HH2  TRP   5           HH2      TRP   5  10.606   0.756   6.748
   41    H    LYS   6           H        LYS   6  10.230   1.972  -3.100
   42    HA   LYS   6           HA       LYS   6  12.768   0.656  -3.816
   43    HB2  LYS   6           HB2      LYS   6  11.093  -1.009  -3.833
   44    HB3  LYS   6           HB3      LYS   6   9.924   0.058  -4.601
   45    HG2  LYS   6           HG2      LYS   6  12.297  -0.338  -6.226
   46    HG3  LYS   6           HG3      LYS   6  11.464  -1.849  -5.852
   47    HD2  LYS   6           HD2      LYS   6   9.607   0.257  -6.572
   48    HD3  LYS   6           HD3      LYS   6  10.797  -0.030  -7.844
   49    HE2  LYS   6           HE2      LYS   6   9.300  -2.277  -6.526
   50    HE3  LYS   6           HE3      LYS   6   8.640  -1.402  -7.907
   51    HZ1  LYS   6           HZ1      LYS   6  11.228  -2.862  -7.857
   52    HZ2  LYS   6           HZ2      LYS   6  10.602  -2.018  -9.182
   53    HZ3  LYS   6           HZ3      LYS   6   9.807  -3.395  -8.605
   54    H    ARG   7           H        ARG   7  10.060   2.539  -5.146
   55    HA   ARG   7           HA       ARG   7  11.543   3.185  -7.538
   56    HB2  ARG   7           HB2      ARG   7   8.938   4.381  -6.588
   57    HB3  ARG   7           HB3      ARG   7   9.581   4.395  -8.224
   58    HG2  ARG   7           HG2      ARG   7   9.411   1.883  -8.192
   59    HG3  ARG   7           HG3      ARG   7   8.512   2.049  -6.682
   60    HD2  ARG   7           HD2      ARG   7   6.929   3.562  -7.902
   61    HD3  ARG   7           HD3      ARG   7   7.767   3.132  -9.392
   62    HE   ARG   7           HE       ARG   7   6.940   0.804  -8.010
   63   HH11  ARG   7          HH11      ARG   7   5.719   3.426  -9.948
   64   HH12  ARG   7          HH12      ARG   7   4.375   2.521 -10.560
   65   HH21  ARG   7          HH21      ARG   7   5.174  -0.398  -8.808
   66   HH22  ARG   7          HH22      ARG   7   4.065   0.345  -9.910
   67    H    LYS   8           H        LYS   8  10.290   4.998  -4.743
   68    HA   LYS   8           HA       LYS   8  11.195   7.519  -5.370
   69    HB2  LYS   8           HB2      LYS   8  10.482   6.089  -2.915
   70    HB3  LYS   8           HB3      LYS   8  11.629   7.396  -2.653
   71    HG2  LYS   8           HG2      LYS   8   9.294   8.105  -2.374
   72    HG3  LYS   8           HG3      LYS   8  10.121   8.983  -3.662
   73    HD2  LYS   8           HD2      LYS   8   8.738   8.189  -5.238
   74    HD3  LYS   8           HD3      LYS   8   8.776   6.554  -4.575
   75    HE2  LYS   8           HE2      LYS   8   6.927   6.883  -3.308
   76    HE3  LYS   8           HE3      LYS   8   7.307   8.577  -3.001
   77    HZ1  LYS   8           HZ1      LYS   8   5.486   7.538  -4.834
   78    HZ2  LYS   8           HZ2      LYS   8   6.733   8.246  -5.731
   79    HZ3  LYS   8           HZ3      LYS   8   5.894   9.160  -4.581
   80    H    CYS   9           H        CYS   9  12.926   5.446  -3.046
   81    HA   CYS   9           HA       CYS   9  15.451   6.500  -4.139
   82    HB2  CYS   9           HB2      CYS   9  14.490   6.932  -1.602
   83    HB3  CYS   9           HB3      CYS   9  15.537   5.537  -1.367
   84    HG   CYS   9           HG       CYS   9  16.335   8.725  -2.020
   85    HA   PRO  10           HA       PRO  10  16.089   2.165  -5.007
   86    HB2  PRO  10           HB2      PRO  10  18.476   2.503  -6.255
   87    HB3  PRO  10           HB3      PRO  10  16.927   2.844  -7.035
   88    HG2  PRO  10           HG2      PRO  10  18.859   4.736  -5.750
   89    HG3  PRO  10           HG3      PRO  10  17.964   4.912  -7.271
   90    HD2  PRO  10           HD2      PRO  10  17.183   6.115  -4.974
   91    HD3  PRO  10           HD3      PRO  10  16.028   5.561  -6.204
   92    H    LEU  11           H        LEU  11  16.730   3.251  -2.381
   93    HA   LEU  11           HA       LEU  11  19.309   1.927  -1.864
   94    HB2  LEU  11           HB2      LEU  11  17.861   4.035  -0.271
   95    HB3  LEU  11           HB3      LEU  11  19.348   3.237   0.238
   96    HG   LEU  11           HG       LEU  11  19.077   4.965  -2.220
   97   HD11  LEU  11          HD11      LEU  11  19.108   5.789   0.424
   98   HD12  LEU  11          HD12      LEU  11  19.497   6.768  -0.990
   99   HD13  LEU  11          HD13      LEU  11  20.784   5.953  -0.102
  100   HD21  LEU  11          HD21      LEU  11  21.268   3.356  -1.025
  101   HD22  LEU  11          HD22      LEU  11  21.681   4.914  -1.741
  102   HD23  LEU  11          HD23      LEU  11  20.889   3.676  -2.718
  103    H    PHE  12           H        PHE  12  15.939   1.809  -1.330
  104    HA   PHE  12           HA       PHE  12  16.290  -0.184   0.809
  105    HB2  PHE  12           HB2      PHE  12  14.603   2.037   0.697
  106    HB3  PHE  12           HB3      PHE  12  13.548   0.665   0.378
  107    HD1  PHE  12           HD1      PHE  12  13.273  -1.105   2.050
  108    HD2  PHE  12           HD2      PHE  12  15.593   2.374   2.843
  109    HE1  PHE  12           HE1      PHE  12  13.190  -1.602   4.457
  110    HE2  PHE  12           HE2      PHE  12  15.515   1.882   5.251
  111    HZ   PHE  12           HZ       PHE  12  14.313  -0.108   6.062
  112    H    GLY  13           H        GLY  13  15.292   0.314  -2.432
  113    HA2  GLY  13           HA2      GLY  13  14.188  -2.428  -2.508
  114    HA3  GLY  13           HA3      GLY  13  13.599  -1.127  -3.532
  115    H    LYS  14           H        LYS  14  15.153  -0.201  -5.087
  116    HA   LYS  14           HA       LYS  14  16.223  -2.084  -6.782
  117    HB2  LYS  14           HB2      LYS  14  15.858   0.558  -6.965
  118    HB3  LYS  14           HB3      LYS  14  17.593   0.555  -6.671
  119    HG2  LYS  14           HG2      LYS  14  18.053  -0.161  -8.733
  120    HG3  LYS  14           HG3      LYS  14  16.764  -1.366  -8.701
  121    HD2  LYS  14           HD2      LYS  14  15.809  -0.035 -10.246
  122    HD3  LYS  14           HD3      LYS  14  15.322   0.926  -8.848
  123    HE2  LYS  14           HE2      LYS  14  16.961   2.516  -9.208
  124    HE3  LYS  14           HE3      LYS  14  17.980   1.407 -10.126
  125    HZ1  LYS  14           HZ1      LYS  14  16.126   3.255 -11.102
  126    HZ2  LYS  14           HZ2      LYS  14  15.549   1.712 -11.483
  127    HZ3  LYS  14           HZ3      LYS  14  17.094   2.184 -11.983
  128    H    GLY  15           H        GLY  15  18.101  -0.002  -4.566
  129    HA2  GLY  15           HA2      GLY  15  20.374  -1.829  -4.852
  130    HA3  GLY  15           HA3      GLY  15  20.421  -0.223  -4.138
  131    H    GLY  16           H        GLY  16  17.981  -2.585  -3.293
  132    HA2  GLY  16           HA2      GLY  16  18.448  -2.336  -0.529
  133    HA3  GLY  16           HA3      GLY  16  17.483  -3.592  -1.291
  134    H1   LYS   1           H        LYS   1  18.100   2.704   7.047
  135    HA   LYS   1           HA       LYS   1  17.696   5.598   6.655
  136    HB2  LYS   1           HB2      LYS   1  18.691   3.724   4.517
  137    HB3  LYS   1           HB3      LYS   1  18.743   5.482   4.536
  138    HG2  LYS   1           HG2      LYS   1  20.374   5.385   6.382
  139    HG3  LYS   1           HG3      LYS   1  20.361   3.623   6.267
  140    HD2  LYS   1           HD2      LYS   1  22.027   3.844   4.796
  141    HD3  LYS   1           HD3      LYS   1  20.811   4.444   3.666
  142    HE2  LYS   1           HE2      LYS   1  21.281   6.709   4.254
  143    HE3  LYS   1           HE3      LYS   1  22.305   6.207   5.598
  144    HZ1  LYS   1           HZ1      LYS   1  23.750   6.807   3.868
  145    HZ2  LYS   1           HZ2      LYS   1  22.859   5.969   2.700
  146    HZ3  LYS   1           HZ3      LYS   1  23.744   5.114   3.861
  147    H    TYR   2           H        TYR   2  15.434   4.883   7.236
  148    HA   TYR   2           HA       TYR   2  14.044   3.928   4.818
  149    HB2  TYR   2           HB2      TYR   2  12.263   3.512   6.879
  150    HB3  TYR   2           HB3      TYR   2  13.280   2.279   6.143
  151    HD1  TYR   2           HD1      TYR   2  13.007   4.621   8.989
  152    HD2  TYR   2           HD2      TYR   2  15.064   1.277   7.352
  153    HE1  TYR   2           HE1      TYR   2  14.101   4.241  11.159
  154    HE2  TYR   2           HE2      TYR   2  16.164   0.886   9.517
  155    HH   TYR   2           HH       TYR   2  15.358   2.822  12.364
  156    H    GLU   3           H        GLU   3  13.679   5.939   7.731
  157    HA   GLU   3           HA       GLU   3  11.346   7.264   7.054
  158    HB2  GLU   3           HB2      GLU   3  12.220   9.127   8.496
  159    HB3  GLU   3           HB3      GLU   3  12.250   7.538   9.246
  160    HG2  GLU   3           HG2      GLU   3  14.660   7.374   8.595
  161    HG3  GLU   3           HG3      GLU   3  14.570   9.062   8.096
  162    H    ILE   4           H        ILE   4  14.695   8.167   6.279
  163    HA   ILE   4           HA       ILE   4  13.994  10.506   4.829
  164    HB   ILE   4           HB       ILE   4  16.248  10.712   4.261
  165   HG12  ILE   4          HG12      ILE   4  16.535   8.583   3.113
  166   HG13  ILE   4          HG13      ILE   4  17.843   8.817   4.268
  167   HG21  ILE   4          HG21      ILE   4  16.892   9.081   6.609
  168   HG22  ILE   4          HG22      ILE   4  17.137  10.803   6.317
  169   HG23  ILE   4          HG23      ILE   4  15.561  10.214   6.845
  170   HD11  ILE   4          HD11      ILE   4  15.428   7.061   4.627
  171   HD12  ILE   4          HD12      ILE   4  17.087   6.538   4.332
  172   HD13  ILE   4          HD13      ILE   4  16.670   7.340   5.847
  173    H    THR   5           H        THR   5  13.454   7.327   4.120
  174    HA   THR   5           HA       THR   5  13.815   7.645   1.229
  175    HB   THR   5           HB       THR   5  13.062   5.181   2.813
  176    HG1  THR   5           HG1      THR   5  15.514   6.088   1.691
  177   HG21  THR   5          HG21      THR   5  12.204   5.206   0.484
  178   HG22  THR   5          HG22      THR   5  13.415   3.953   0.760
  179   HG23  THR   5          HG23      THR   5  13.856   5.434  -0.089
  180    H    THR   6           H        THR   6  11.377   7.454   3.691
  181    HA   THR   6           HA       THR   6   9.273   7.409   1.631
  182    HB   THR   6           HB       THR   6   8.890   5.619   3.137
  183    HG1  THR   6           HG1      THR   6   7.108   7.260   2.729
  184   HG21  THR   6          HG21      THR   6  10.274   6.065   4.981
  185   HG22  THR   6          HG22      THR   6   8.639   6.138   5.636
  186   HG23  THR   6          HG23      THR   6   9.515   7.627   5.284
  187    H    ILE   7           H        ILE   7  10.926   9.454   3.694
  188    HA   ILE   7           HA       ILE   7   8.672  11.261   4.120
  189    HB   ILE   7           HB       ILE   7  11.516  11.299   5.115
  190   HG12  ILE   7          HG12      ILE   7   9.859   9.790   6.221
  191   HG13  ILE   7          HG13      ILE   7  10.511  11.026   7.292
  192   HG21  ILE   7          HG21      ILE   7   9.550  13.484   4.924
  193   HG22  ILE   7          HG22      ILE   7  10.347  13.303   6.485
  194   HG23  ILE   7          HG23      ILE   7  11.310  13.543   5.026
  195   HD11  ILE   7          HD11      ILE   7   8.141  10.762   7.651
  196   HD12  ILE   7          HD12      ILE   7   8.473  12.352   6.964
  197   HD13  ILE   7          HD13      ILE   7   7.821  11.069   5.944
  198    H    HIS   8           H        HIS   8  11.616  10.968   2.256
  199    HA   HIS   8           HA       HIS   8  11.852  13.622   1.375
  200    HB2  HIS   8           HB2      HIS   8  13.120  11.134   0.847
  201    HB3  HIS   8           HB3      HIS   8  12.673  11.840  -0.704
  202    HD1  HIS   8           HD1      HIS   8  14.060  13.463   2.452
  203    HD2  HIS   8           HD2      HIS   8  14.900  13.078  -1.598
  204    HE1  HIS   8           HE1      HIS   8  16.100  14.878   2.051
  205    H    ASN   9           H        ASN   9   9.668  11.099   0.491
  206    HA   ASN   9           HA       ASN   9   8.659  12.747  -1.733
  207    HB2  ASN   9           HB2      ASN   9   9.500  10.149  -1.883
  208    HB3  ASN   9           HB3      ASN   9   7.771   9.943  -1.619
  209   HD21  ASN   9          HD21      ASN   9  10.196  11.357  -3.706
  210   HD22  ASN   9          HD22      ASN   9   9.187  11.500  -5.102
  211    H    LEU  10           H        LEU  10   8.078  12.519   1.312
  212    HA   LEU  10           HA       LEU  10   5.151  12.323   1.029
  213    HB2  LEU  10           HB2      LEU  10   5.610  10.572   2.442
  214    HB3  LEU  10           HB3      LEU  10   6.996  11.383   3.169
  215    HG   LEU  10           HG       LEU  10   5.402  12.874   4.376
  216   HD11  LEU  10          HD11      LEU  10   3.304  10.922   3.451
  217   HD12  LEU  10          HD12      LEU  10   3.519  12.537   2.776
  218   HD13  LEU  10          HD13      LEU  10   3.077  12.343   4.473
  219   HD21  LEU  10          HD21      LEU  10   4.481  10.286   5.304
  220   HD22  LEU  10          HD22      LEU  10   5.532  11.460   6.093
  221   HD23  LEU  10          HD23      LEU  10   6.209  10.293   4.958
  222    H    PHE  11           H        PHE  11   7.864  14.149   2.172
  223    HA   PHE  11           HA       PHE  11   6.507  15.967   3.846
  224    HB2  PHE  11           HB2      PHE  11   9.162  15.663   2.753
  225    HB3  PHE  11           HB3      PHE  11   8.656  17.349   2.676
  226    HD1  PHE  11           HD1      PHE  11   7.701  14.853   5.237
  227    HD2  PHE  11           HD2      PHE  11  10.010  18.311   4.325
  228    HE1  PHE  11           HE1      PHE  11   8.240  15.120   7.623
  229    HE2  PHE  11           HE2      PHE  11  10.552  18.582   6.709
  230    HZ   PHE  11           HZ       PHE  11   9.668  16.985   8.362
  231    H    ARG  12           H        ARG  12   6.216  15.471   0.569
  232    HA   ARG  12           HA       ARG  12   6.115  17.884  -0.685
  233    HB2  ARG  12           HB2      ARG  12   4.381  15.450  -0.914
  234    HB3  ARG  12           HB3      ARG  12   4.017  16.877  -1.874
  235    HG2  ARG  12           HG2      ARG  12   6.778  15.746  -1.897
  236    HG3  ARG  12           HG3      ARG  12   5.503  14.987  -2.854
  237    HD2  ARG  12           HD2      ARG  12   5.731  17.924  -3.069
  238    HD3  ARG  12           HD3      ARG  12   7.058  16.988  -3.757
  239    HE   ARG  12           HE       ARG  12   4.847  15.780  -4.757
  240   HH11  ARG  12          HH11      ARG  12   5.968  19.076  -4.689
  241   HH12  ARG  12          HH12      ARG  12   5.200  19.505  -6.182
  242   HH21  ARG  12          HH21      ARG  12   3.831  16.333  -6.723
  243   HH22  ARG  12          HH22      ARG  12   3.985  17.944  -7.337
  244    H    LYS  13           H        LYS  13   2.986  16.540   0.236
  245    HA   LYS  13           HA       LYS  13   2.276  19.145   1.416
  246    HB2  LYS  13           HB2      LYS  13   0.009  18.865   0.482
  247    HB3  LYS  13           HB3      LYS  13   1.238  18.968  -0.772
  248    HG2  LYS  13           HG2      LYS  13   1.198  16.414  -0.771
  249    HG3  LYS  13           HG3      LYS  13  -0.300  16.566   0.149
  250    HD2  LYS  13           HD2      LYS  13  -1.463  17.417  -1.623
  251    HD3  LYS  13           HD3      LYS  13  -0.034  18.171  -2.337
  252    HE2  LYS  13           HE2      LYS  13   0.508  15.455  -2.441
  253    HE3  LYS  13           HE3      LYS  13  -1.208  15.563  -2.831
  254    HZ1  LYS  13           HZ1      LYS  13  -0.676  17.172  -4.557
  255    HZ2  LYS  13           HZ2      LYS  13   0.152  15.719  -4.815
  256    HZ3  LYS  13           HZ3      LYS  13   0.972  17.059  -4.186
  257    H    LEU  14           H        LEU  14   2.916  16.131   2.222
  258    HA   LEU  14           HA       LEU  14   0.770  15.995   4.236
  259    HB2  LEU  14           HB2      LEU  14   2.071  13.858   2.611
  260    HB3  LEU  14           HB3      LEU  14   1.474  13.473   4.225
  261    HG   LEU  14           HG       LEU  14  -0.414  14.823   2.382
  262   HD11  LEU  14          HD11      LEU  14  -0.308  11.903   2.067
  263   HD12  LEU  14          HD12      LEU  14   1.005  12.794   1.297
  264   HD13  LEU  14          HD13      LEU  14  -0.671  13.165   0.889
  265   HD21  LEU  14          HD21      LEU  14  -1.326  14.319   4.459
  266   HD22  LEU  14          HD22      LEU  14  -0.504  12.762   4.555
  267   HD23  LEU  14          HD23      LEU  14  -1.864  12.976   3.451
  268    H    THR  15           H        THR  15   1.459  16.301   6.238
  269    HA   THR  15           HA       THR  15   4.110  16.686   6.978
  270    HB   THR  15           HB       THR  15   3.121  16.087   9.365
  271    HG1  THR  15           HG1      THR  15   1.129  15.351   7.986
  272   HG21  THR  15          HG21      THR  15   3.767  18.334   8.494
  273   HG22  THR  15          HG22      THR  15   2.374  18.363   9.575
  274   HG23  THR  15          HG23      THR  15   2.140  18.494   7.833
  275    H    HIS  16           H        HIS  16   2.484  14.269   8.876
  276    HA   HIS  16           HA       HIS  16   4.520  12.290   8.090
  277    HB2  HIS  16           HB2      HIS  16   4.371  11.509  10.520
  278    HB3  HIS  16           HB3      HIS  16   5.228  13.018  10.222
  279    HD1  HIS  16           HD1      HIS  16   2.293  11.603  11.970
  280    HD2  HIS  16           HD2      HIS  16   3.840  15.356  11.084
  281    HE1  HIS  16           HE1      HIS  16   1.051  13.208  13.453
  282    H    ARG  17           H        ARG  17   2.895  11.446   6.648
  283    HA   ARG  17           HA       ARG  17   0.850   9.859   8.056
  284    HB2  ARG  17           HB2      ARG  17   0.689  11.493   5.575
  285    HB3  ARG  17           HB3      ARG  17  -0.216   9.986   5.613
  286    HG2  ARG  17           HG2      ARG  17  -1.817  11.334   6.453
  287    HG3  ARG  17           HG3      ARG  17  -0.976  10.990   7.966
  288    HD2  ARG  17           HD2      ARG  17   0.432  13.120   6.947
  289    HD3  ARG  17           HD3      ARG  17  -1.228  13.489   6.484
  290    HE   ARG  17           HE       ARG  17  -0.124  13.652   9.087
  291   HH11  ARG  17          HH11      ARG  17  -3.032  12.780   7.382
  292   HH12  ARG  17          HH12      ARG  17  -4.078  13.148   8.712
  293   HH21  ARG  17          HH21      ARG  17  -1.493  14.140  10.846
  294   HH22  ARG  17          HH22      ARG  17  -3.201  13.923  10.682
  295    H    LEU  18           H        LEU  18   2.392   9.950   4.838
  296    HA   LEU  18           HA       LEU  18   2.250   7.137   4.496
  297    HB2  LEU  18           HB2      LEU  18   4.046   9.088   3.066
  298    HB3  LEU  18           HB3      LEU  18   3.576   7.483   2.511
  299    HG   LEU  18           HG       LEU  18   1.478   9.561   2.969
  300   HD11  LEU  18          HD11      LEU  18   2.059   9.656   0.262
  301   HD12  LEU  18          HD12      LEU  18   3.634   9.748   1.050
  302   HD13  LEU  18          HD13      LEU  18   2.377  10.916   1.455
  303   HD21  LEU  18          HD21      LEU  18   1.789   7.011   1.475
  304   HD22  LEU  18          HD22      LEU  18   0.705   8.236   0.816
  305   HD23  LEU  18          HD23      LEU  18   0.436   7.601   2.439
  306    H    PHE  19           H        PHE  19   4.021   8.764   6.648
  307    HA   PHE  19           HA       PHE  19   6.570   7.462   6.300
  308    HB2  PHE  19           HB2      PHE  19   6.513   9.681   7.288
  309    HB3  PHE  19           HB3      PHE  19   5.460   9.110   8.578
  310    HD1  PHE  19           HD1      PHE  19   6.866   9.723  10.393
  311    HD2  PHE  19           HD2      PHE  19   8.334   7.216   7.283
  312    HE1  PHE  19           HE1      PHE  19   8.839   9.185  11.762
  313    HE2  PHE  19           HE2      PHE  19  10.308   6.673   8.646
  314    HZ   PHE  19           HZ       PHE  19  10.563   7.658  10.890
  315    H    ARG  20           H        ARG  20   3.871   7.227   8.599
  316    HA   ARG  20           HA       ARG  20   4.901   4.584   9.402
  317    HB2  ARG  20           HB2      ARG  20   3.776   4.919  11.556
  318    HB3  ARG  20           HB3      ARG  20   4.956   6.186  11.246
  319    HG2  ARG  20           HG2      ARG  20   2.819   7.414  10.268
  320    HG3  ARG  20           HG3      ARG  20   2.003   6.336  11.403
  321    HD2  ARG  20           HD2      ARG  20   4.360   7.979  12.255
  322    HD3  ARG  20           HD3      ARG  20   2.740   8.673  12.215
  323    HE   ARG  20           HE       ARG  20   2.536   6.310  13.629
  324   HH11  ARG  20          HH11      ARG  20   4.253   9.324  13.924
  325   HH12  ARG  20          HH12      ARG  20   4.295   9.281  15.656
  326   HH21  ARG  20          HH21      ARG  20   2.584   6.242  15.909
  327   HH22  ARG  20          HH22      ARG  20   3.346   7.527  16.784
  328    H    ARG  21           H        ARG  21   2.086   6.465   8.484
  329    HA   ARG  21           HA       ARG  21   0.184   4.380   8.852
  330    HB2  ARG  21           HB2      ARG  21  -0.124   6.683   6.937
  331    HB3  ARG  21           HB3      ARG  21  -1.379   5.819   7.815
  332    HG2  ARG  21           HG2      ARG  21   0.669   7.688   8.986
  333    HG3  ARG  21           HG3      ARG  21  -1.055   8.001   8.778
  334    HD2  ARG  21           HD2      ARG  21   0.161   5.871  10.535
  335    HD3  ARG  21           HD3      ARG  21  -0.525   7.398  11.088
  336    HE   ARG  21           HE       ARG  21  -1.953   5.028  10.419
  337   HH11  ARG  21          HH11      ARG  21  -2.140   8.504  10.379
  338   HH12  ARG  21          HH12      ARG  21  -3.870   8.542  10.453
  339   HH21  ARG  21          HH21      ARG  21  -4.231   5.065  10.516
  340   HH22  ARG  21          HH22      ARG  21  -5.059   6.585  10.532
  341    H    ASN  22           H        ASN  22   2.647   4.770   6.631
  342    HA   ASN  22           HA       ASN  22   1.301   2.979   4.716
  343    HB2  ASN  22           HB2      ASN  22   3.051   5.360   4.257
  344    HB3  ASN  22           HB3      ASN  22   3.128   4.023   3.112
  345   HD21  ASN  22          HD21      ASN  22   0.583   5.754   4.886
  346   HD22  ASN  22          HD22      ASN  22  -0.435   6.008   3.513
  347    H    PHE  23           H        PHE  23   4.596   4.055   5.577
  348    HA   PHE  23           HA       PHE  23   5.560   1.334   5.129
  349    HB2  PHE  23           HB2      PHE  23   6.989   3.964   5.526
  350    HB3  PHE  23           HB3      PHE  23   7.828   2.419   5.429
  351    HD1  PHE  23           HD1      PHE  23   6.118   5.029   3.587
  352    HD2  PHE  23           HD2      PHE  23   7.813   1.133   3.331
  353    HE1  PHE  23           HE1      PHE  23   6.145   5.206   1.133
  354    HE2  PHE  23           HE2      PHE  23   7.843   1.304   0.877
  355    HZ   PHE  23           HZ       PHE  23   7.009   3.342  -0.226
  356    H    GLY  24           H        GLY  24   4.020   2.481   7.552
  357    HA2  GLY  24           HA2      GLY  24   5.960   1.679   9.626
  358    HA3  GLY  24           HA3      GLY  24   4.581   2.733   9.903
  359    H    TYR  25           H        TYR  25   3.036   0.788   8.077
  360    HA   TYR  25           HA       TYR  25   2.037  -0.828  10.244
  361    HB2  TYR  25           HB2      TYR  25   0.954   0.237   7.900
  362    HB3  TYR  25           HB3      TYR  25   0.963  -1.503   7.634
  363    HD1  TYR  25           HD1      TYR  25  -0.554   1.242   9.447
  364    HD2  TYR  25           HD2      TYR  25  -0.268  -2.995   9.197
  365    HE1  TYR  25           HE1      TYR  25  -2.588   1.030  10.813
  366    HE2  TYR  25           HE2      TYR  25  -2.302  -3.219  10.560
  367    HH   TYR  25           HH       TYR  25  -4.470  -1.304  10.959
  368    H    THR  26           H        THR  26   4.445  -1.181   7.929
  369    HA   THR  26           HA       THR  26   4.201  -4.088   7.772
  370    HB   THR  26           HB       THR  26   5.706  -2.033   6.247
  371    HG1  THR  26           HG1      THR  26   4.332  -4.455   5.649
  372   HG21  THR  26          HG21      THR  26   7.551  -3.382   7.030
  373   HG22  THR  26          HG22      THR  26   7.236  -3.769   5.338
  374   HG23  THR  26          HG23      THR  26   6.693  -4.863   6.610
  375    H    LEU  27           H        LEU  27   6.693  -1.687   8.640
  376    HA   LEU  27           HA       LEU  27   8.421  -3.611   9.823
  377    HB2  LEU  27           HB2      LEU  27   9.624  -1.639  10.707
  378    HB3  LEU  27           HB3      LEU  27   9.343  -1.580   8.968
  379    HG   LEU  27           HG       LEU  27   7.293  -0.114   9.614
  380   HD11  LEU  27          HD11      LEU  27   8.118   1.292  11.680
  381   HD12  LEU  27          HD12      LEU  27   8.861  -0.241  12.138
  382   HD13  LEU  27          HD13      LEU  27   7.117  -0.146  11.891
  383   HD21  LEU  27          HD21      LEU  27   8.711   1.892   9.541
  384   HD22  LEU  27          HD22      LEU  27   9.195   0.691   8.343
  385   HD23  LEU  27          HD23      LEU  27  10.131   0.886   9.826
  386    H    ARG  28           H        ARG  28   5.486  -2.576  10.820
  387    HA   ARG  28           HA       ARG  28   5.694  -1.891  13.486
  388    HB2  ARG  28           HB2      ARG  28   3.433  -2.631  13.745
  389    HB3  ARG  28           HB3      ARG  28   3.591  -1.965  12.125
  390    HG2  ARG  28           HG2      ARG  28   2.511  -3.838  11.532
  391    HG3  ARG  28           HG3      ARG  28   4.119  -4.559  11.628
  392    HD2  ARG  28           HD2      ARG  28   2.530  -5.937  12.820
  393    HD3  ARG  28           HD3      ARG  28   3.662  -5.207  13.959
  394    HE   ARG  28           HE       ARG  28   1.577  -3.481  13.958
  395   HH11  ARG  28          HH11      ARG  28   1.844  -6.922  14.413
  396   HH12  ARG  28          HH12      ARG  28   0.480  -7.020  15.477
  397   HH21  ARG  28          HH21      ARG  28  -0.221  -3.596  15.357
  398   HH22  ARG  28          HH22      ARG  28  -0.694  -5.127  16.013
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   2.901  -0.970  -5.168
    2    HA   VAL   1           HA       VAL   1   1.858   0.084  -3.303
    3    HB   VAL   1           HB       VAL   1   0.717  -2.052  -2.668
    4   HG11  VAL   1          HG11      VAL   1   1.757  -3.604  -1.188
    5   HG12  VAL   1          HG12      VAL   1   2.835  -3.390  -2.570
    6   HG13  VAL   1          HG13      VAL   1   3.192  -2.590  -1.039
    7   HG21  VAL   1          HG21      VAL   1   1.946  -0.816  -0.230
    8   HG22  VAL   1          HG22      VAL   1   0.862   0.110  -1.268
    9   HG23  VAL   1          HG23      VAL   1   0.289  -1.363  -0.485
   10    H    ALA   2           H        ALA   2   4.746  -1.444  -3.877
   11    HA   ALA   2           HA       ALA   2   6.054  -0.034  -1.641
   12    HB1  ALA   2           HB1      ALA   2   6.251  -2.463  -1.419
   13    HB2  ALA   2           HB2      ALA   2   6.997  -2.548  -3.016
   14    HB3  ALA   2           HB3      ALA   2   7.820  -1.709  -1.701
   15    H    ARG   3           H        ARG   3   5.939   1.789  -3.226
   16    HA   ARG   3           HA       ARG   3   8.197   1.650  -5.117
   17    HB2  ARG   3           HB2      ARG   3   6.199   3.758  -5.580
   18    HB3  ARG   3           HB3      ARG   3   7.001   2.692  -6.726
   19    HG2  ARG   3           HG2      ARG   3   5.467   0.887  -6.119
   20    HG3  ARG   3           HG3      ARG   3   4.659   1.964  -4.979
   21    HD2  ARG   3           HD2      ARG   3   4.940   2.883  -7.788
   22    HD3  ARG   3           HD3      ARG   3   3.779   1.597  -7.461
   23    HE   ARG   3           HE       ARG   3   3.525   4.361  -6.773
   24   HH11  ARG   3          HH11      ARG   3   2.633   1.127  -5.842
   25   HH12  ARG   3          HH12      ARG   3   1.194   1.622  -5.013
   26   HH21  ARG   3          HH21      ARG   3   1.633   5.026  -5.687
   27   HH22  ARG   3          HH22      ARG   3   0.627   3.840  -4.927
   28    H    GLY   4           H        GLY   4   6.934   3.095  -2.333
   29    HA2  GLY   4           HA2      GLY   4   8.215   5.657  -2.603
   30    HA3  GLY   4           HA3      GLY   4   7.472   5.008  -1.148
   31    H    TRP   5           H        TRP   5   9.324   2.554  -1.823
   32    HA   TRP   5           HA       TRP   5  11.698   3.692  -0.497
   33    HB2  TRP   5           HB2      TRP   5  10.216   1.127  -0.065
   34    HB3  TRP   5           HB3      TRP   5  11.944   1.186   0.266
   35    HD1  TRP   5           HD1      TRP   5  10.457   4.464   1.067
   36    HE1  TRP   5           HE1      TRP   5  10.091   4.699   3.603
   37    HE3  TRP   5           HE3      TRP   5  11.136  -0.413   2.439
   38    HZ2  TRP   5           HZ2      TRP   5  10.089   3.036   5.885
   39    HZ3  TRP   5           HZ3      TRP   5  10.935  -1.008   4.818
   40    HH2  TRP   5           HH2      TRP   5  10.423   0.683   6.503
   41    H    LYS   6           H        LYS   6  10.524   2.153  -3.257
   42    HA   LYS   6           HA       LYS   6  13.236   1.281  -4.014
   43    HB2  LYS   6           HB2      LYS   6  11.871  -0.645  -4.038
   44    HB3  LYS   6           HB3      LYS   6  10.525   0.215  -4.775
   45    HG2  LYS   6           HG2      LYS   6  12.909   0.250  -6.433
   46    HG3  LYS   6           HG3      LYS   6  12.346  -1.384  -6.075
   47    HD2  LYS   6           HD2      LYS   6  10.167   0.416  -6.750
   48    HD3  LYS   6           HD3      LYS   6  11.365   0.300  -8.040
   49    HE2  LYS   6           HE2      LYS   6  11.089  -2.030  -8.225
   50    HE3  LYS   6           HE3      LYS   6  10.234  -2.133  -6.686
   51    HZ1  LYS   6           HZ1      LYS   6   8.391  -2.067  -7.906
   52    HZ2  LYS   6           HZ2      LYS   6   9.211  -1.579  -9.302
   53    HZ3  LYS   6           HZ3      LYS   6   8.716  -0.427  -8.167
   54    H    ARG   7           H        ARG   7  10.236   2.722  -5.259
   55    HA   ARG   7           HA       ARG   7  11.476   3.578  -7.705
   56    HB2  ARG   7           HB2      ARG   7   8.932   3.072  -7.098
   57    HB3  ARG   7           HB3      ARG   7   8.930   4.797  -6.756
   58    HG2  ARG   7           HG2      ARG   7   8.764   5.266  -8.911
   59    HG3  ARG   7           HG3      ARG   7  10.215   4.327  -9.267
   60    HD2  ARG   7           HD2      ARG   7   8.595   2.289  -9.023
   61    HD3  ARG   7           HD3      ARG   7   7.348   3.496  -9.333
   62    HE   ARG   7           HE       ARG   7   9.490   3.567 -11.240
   63   HH11  ARG   7          HH11      ARG   7   6.481   2.034 -10.392
   64   HH12  ARG   7          HH12      ARG   7   6.115   1.559 -12.016
   65   HH21  ARG   7          HH21      ARG   7   9.018   2.947 -13.383
   66   HH22  ARG   7          HH22      ARG   7   7.559   2.079 -13.718
   67    H    LYS   8           H        LYS   8  10.294   5.225  -4.782
   68    HA   LYS   8           HA       LYS   8  10.886   7.833  -5.434
   69    HB2  LYS   8           HB2      LYS   8  10.415   6.330  -3.001
   70    HB3  LYS   8           HB3      LYS   8  11.592   7.611  -2.738
   71    HG2  LYS   8           HG2      LYS   8   9.340   8.374  -2.248
   72    HG3  LYS   8           HG3      LYS   8  10.018   9.250  -3.622
   73    HD2  LYS   8           HD2      LYS   8   8.652   6.906  -4.547
   74    HD3  LYS   8           HD3      LYS   8   7.584   7.842  -3.499
   75    HE2  LYS   8           HE2      LYS   8   7.409   9.522  -4.980
   76    HE3  LYS   8           HE3      LYS   8   9.117   9.448  -5.412
   77    HZ1  LYS   8           HZ1      LYS   8   7.455   8.852  -7.202
   78    HZ2  LYS   8           HZ2      LYS   8   7.176   7.420  -6.345
   79    HZ3  LYS   8           HZ3      LYS   8   8.720   7.755  -6.955
   80    H    CYS   9           H        CYS   9  12.993   6.015  -3.221
   81    HA   CYS   9           HA       CYS   9  15.307   7.261  -4.555
   82    HB2  CYS   9           HB2      CYS   9  14.538   7.761  -2.002
   83    HB3  CYS   9           HB3      CYS   9  15.621   6.398  -1.745
   84    HG   CYS   9           HG       CYS   9  16.533   9.231  -3.430
   85    HA   PRO  10           HA       PRO  10  16.388   3.019  -5.372
   86    HB2  PRO  10           HB2      PRO  10  18.728   3.568  -6.636
   87    HB3  PRO  10           HB3      PRO  10  17.150   3.769  -7.406
   88    HG2  PRO  10           HG2      PRO  10  18.913   5.828  -6.136
   89    HG3  PRO  10           HG3      PRO  10  17.997   5.920  -7.651
   90    HD2  PRO  10           HD2      PRO  10  17.124   7.051  -5.351
   91    HD3  PRO  10           HD3      PRO  10  16.017   6.394  -6.572
   92    H    LEU  11           H        LEU  11  16.950   4.172  -2.753
   93    HA   LEU  11           HA       LEU  11  19.648   3.103  -2.251
   94    HB2  LEU  11           HB2      LEU  11  19.878   4.545  -0.455
   95    HB3  LEU  11           HB3      LEU  11  19.027   5.523  -1.649
   96    HG   LEU  11           HG       LEU  11  16.920   4.600  -0.286
   97   HD11  LEU  11          HD11      LEU  11  17.286   4.197   1.949
   98   HD12  LEU  11          HD12      LEU  11  18.859   4.994   1.948
   99   HD13  LEU  11          HD13      LEU  11  18.680   3.399   1.217
  100   HD21  LEU  11          HD21      LEU  11  16.696   6.789  -0.009
  101   HD22  LEU  11          HD22      LEU  11  18.385   7.008  -0.466
  102   HD23  LEU  11          HD23      LEU  11  17.951   6.785   1.230
  103    H    PHE  12           H        PHE  12  16.271   2.875  -1.411
  104    HA   PHE  12           HA       PHE  12  16.875   0.763   0.541
  105    HB2  PHE  12           HB2      PHE  12  15.161   2.894   0.753
  106    HB3  PHE  12           HB3      PHE  12  14.073   1.601   0.259
  107    HD1  PHE  12           HD1      PHE  12  13.316   0.029   1.801
  108    HD2  PHE  12           HD2      PHE  12  16.642   2.498   2.777
  109    HE1  PHE  12           HE1      PHE  12  13.247  -0.799   4.118
  110    HE2  PHE  12           HE2      PHE  12  16.580   1.673   5.095
  111    HZ   PHE  12           HZ       PHE  12  14.881   0.022   5.766
  112    H    GLY  13           H        GLY  13  15.708   1.308  -2.617
  113    HA2  GLY  13           HA2      GLY  13  13.982  -0.943  -2.858
  114    HA3  GLY  13           HA3      GLY  13  14.708  -0.047  -4.185
  115    H    LYS  14           H        LYS  14  16.862  -0.614  -4.855
  116    HA   LYS  14           HA       LYS  14  17.268  -3.440  -4.880
  117    HB2  LYS  14           HB2      LYS  14  19.283  -1.415  -5.821
  118    HB3  LYS  14           HB3      LYS  14  18.990  -3.036  -6.436
  119    HG2  LYS  14           HG2      LYS  14  16.780  -2.257  -7.264
  120    HG3  LYS  14           HG3      LYS  14  17.224  -0.621  -6.772
  121    HD2  LYS  14           HD2      LYS  14  17.957  -0.491  -8.909
  122    HD3  LYS  14           HD3      LYS  14  19.391  -1.262  -8.226
  123    HE2  LYS  14           HE2      LYS  14  18.745  -3.388  -9.004
  124    HE3  LYS  14           HE3      LYS  14  17.096  -2.855  -9.332
  125    HZ1  LYS  14           HZ1      LYS  14  19.465  -2.625 -10.966
  126    HZ2  LYS  14           HZ2      LYS  14  18.536  -1.213 -10.894
  127    HZ3  LYS  14           HZ3      LYS  14  17.836  -2.661 -11.420
  128    H    GLY  15           H        GLY  15  18.479  -0.812  -2.983
  129    HA2  GLY  15           HA2      GLY  15  20.901  -1.963  -2.096
  130    HA3  GLY  15           HA3      GLY  15  19.993  -0.714  -1.258
  131    H    GLY  16           H        GLY  16  17.908  -1.605  -0.187
  132    HA2  GLY  16           HA2      GLY  16  18.658  -3.359   1.849
  133    HA3  GLY  16           HA3      GLY  16  17.001  -2.933   1.451
  134    H1   LYS   1           H        LYS   1  18.064   3.473   6.304
  135    HA   LYS   1           HA       LYS   1  17.274   6.310   6.171
  136    HB2  LYS   1           HB2      LYS   1  18.986   4.643   4.390
  137    HB3  LYS   1           HB3      LYS   1  17.982   5.879   3.644
  138    HG2  LYS   1           HG2      LYS   1  19.440   7.446   4.197
  139    HG3  LYS   1           HG3      LYS   1  19.317   7.004   5.901
  140    HD2  LYS   1           HD2      LYS   1  20.961   5.170   5.458
  141    HD3  LYS   1           HD3      LYS   1  21.169   5.827   3.832
  142    HE2  LYS   1           HE2      LYS   1  21.823   7.995   4.865
  143    HE3  LYS   1           HE3      LYS   1  21.757   7.214   6.445
  144    HZ1  LYS   1           HZ1      LYS   1  23.760   7.010   4.364
  145    HZ2  LYS   1           HZ2      LYS   1  23.344   5.541   5.094
  146    HZ3  LYS   1           HZ3      LYS   1  23.913   6.824   6.039
  147    H    TYR   2           H        TYR   2  15.115   5.398   6.698
  148    HA   TYR   2           HA       TYR   2  13.793   4.386   4.267
  149    HB2  TYR   2           HB2      TYR   2  12.077   3.691   6.275
  150    HB3  TYR   2           HB3      TYR   2  13.275   2.615   5.566
  151    HD1  TYR   2           HD1      TYR   2  15.229   1.951   6.796
  152    HD2  TYR   2           HD2      TYR   2  12.496   4.759   8.452
  153    HE1  TYR   2           HE1      TYR   2  16.300   1.686   8.995
  154    HE2  TYR   2           HE2      TYR   2  13.560   4.504  10.655
  155    HH   TYR   2           HH       TYR   2  15.998   3.764  11.448
  156    H    GLU   3           H        GLU   3  13.285   6.257   7.249
  157    HA   GLU   3           HA       GLU   3  10.818   7.364   6.657
  158    HB2  GLU   3           HB2      GLU   3  11.532   9.259   8.142
  159    HB3  GLU   3           HB3      GLU   3  11.735   7.658   8.840
  160    HG2  GLU   3           HG2      GLU   3  14.136   7.757   8.139
  161    HG3  GLU   3           HG3      GLU   3  13.868   9.443   7.701
  162    H    ILE   4           H        ILE   4  14.044   8.618   5.854
  163    HA   ILE   4           HA       ILE   4  13.126  10.939   4.525
  164    HB   ILE   4           HB       ILE   4  15.329  11.304   3.842
  165   HG12  ILE   4          HG12      ILE   4  15.634   9.202   2.607
  166   HG13  ILE   4          HG13      ILE   4  17.024   9.542   3.631
  167   HG21  ILE   4          HG21      ILE   4  15.648   9.555   6.274
  168   HG22  ILE   4          HG22      ILE   4  16.673  10.902   5.783
  169   HG23  ILE   4          HG23      ILE   4  15.017  11.201   6.309
  170   HD11  ILE   4          HD11      ILE   4  16.465   7.201   3.727
  171   HD12  ILE   4          HD12      ILE   4  16.159   7.956   5.292
  172   HD13  ILE   4          HD13      ILE   4  14.814   7.588   4.214
  173    H    THR   5           H        THR   5  12.853   7.728   3.675
  174    HA   THR   5           HA       THR   5  12.946   8.246   0.793
  175    HB   THR   5           HB       THR   5  12.263   5.543   1.824
  176    HG1  THR   5           HG1      THR   5  13.967   6.136   3.204
  177   HG21  THR   5          HG21      THR   5  13.688   6.762  -0.491
  178   HG22  THR   5          HG22      THR   5  12.464   5.492  -0.460
  179   HG23  THR   5          HG23      THR   5  14.128   5.126  -0.004
  180    H    THR   6           H        THR   6  10.743   7.636   3.404
  181    HA   THR   6           HA       THR   6   8.504   7.452   1.504
  182    HB   THR   6           HB       THR   6   8.482   5.566   2.966
  183    HG1  THR   6           HG1      THR   6   6.484   7.052   2.715
  184   HG21  THR   6          HG21      THR   6   9.864   6.143   4.768
  185   HG22  THR   6          HG22      THR   6   8.261   6.004   5.491
  186   HG23  THR   6          HG23      THR   6   8.933   7.595   5.134
  187    H    ILE   7           H        ILE   7  10.100   9.659   3.349
  188    HA   ILE   7           HA       ILE   7   7.671  11.183   4.001
  189    HB   ILE   7           HB       ILE   7  10.499  11.443   5.020
  190   HG12  ILE   7          HG12      ILE   7   7.889  10.857   6.436
  191   HG13  ILE   7          HG13      ILE   7   9.105   9.656   6.016
  192   HG21  ILE   7          HG21      ILE   7   9.580  13.270   6.456
  193   HG22  ILE   7          HG22      ILE   7   9.689  13.671   4.743
  194   HG23  ILE   7          HG23      ILE   7   8.130  13.251   5.454
  195   HD11  ILE   7          HD11      ILE   7   9.253  11.844   8.052
  196   HD12  ILE   7          HD12      ILE   7   9.485  10.108   8.263
  197   HD13  ILE   7          HD13      ILE   7  10.706  11.063   7.425
  198    H    HIS   8           H        HIS   8  10.594  11.204   2.106
  199    HA   HIS   8           HA       HIS   8  10.654  13.926   1.403
  200    HB2  HIS   8           HB2      HIS   8  12.458  12.155   1.025
  201    HB3  HIS   8           HB3      HIS   8  11.543  11.681  -0.403
  202    HD1  HIS   8           HD1      HIS   8  13.443  14.628   1.004
  203    HD2  HIS   8           HD2      HIS   8  11.943  13.251  -2.618
  204    HE1  HIS   8           HE1      HIS   8  14.364  16.186  -0.740
  205    H    ASN   9           H        ASN   9   8.907  11.182   0.068
  206    HA   ASN   9           HA       ASN   9   7.679  12.945  -1.935
  207    HB2  ASN   9           HB2      ASN   9   7.310  11.103  -3.277
  208    HB3  ASN   9           HB3      ASN   9   8.786  10.609  -2.451
  209   HD21  ASN   9          HD21      ASN   9   5.592   9.829  -3.156
  210   HD22  ASN   9          HD22      ASN   9   5.427   8.470  -2.102
  211    H    LEU  10           H        LEU  10   7.075  12.524   1.059
  212    HA   LEU  10           HA       LEU  10   4.193  12.007   0.732
  213    HB2  LEU  10           HB2      LEU  10   4.721  10.334   2.167
  214    HB3  LEU  10           HB3      LEU  10   6.133  11.175   2.800
  215    HG   LEU  10           HG       LEU  10   4.528  12.648   4.081
  216   HD11  LEU  10          HD11      LEU  10   2.564  10.480   3.359
  217   HD12  LEU  10          HD12      LEU  10   2.540  12.122   2.717
  218   HD13  LEU  10          HD13      LEU  10   2.284  11.845   4.440
  219   HD21  LEU  10          HD21      LEU  10   5.508  10.045   4.611
  220   HD22  LEU  10          HD22      LEU  10   3.890  10.159   5.305
  221   HD23  LEU  10          HD23      LEU  10   5.130  11.329   5.759
  222    H    PHE  11           H        PHE  11   6.664  14.059   2.114
  223    HA   PHE  11           HA       PHE  11   5.114  15.693   3.748
  224    HB2  PHE  11           HB2      PHE  11   7.753  15.769   2.581
  225    HB3  PHE  11           HB3      PHE  11   7.024  17.371   2.548
  226    HD1  PHE  11           HD1      PHE  11   6.539  14.704   5.077
  227    HD2  PHE  11           HD2      PHE  11   8.228  18.508   4.189
  228    HE1  PHE  11           HE1      PHE  11   7.104  15.004   7.453
  229    HE2  PHE  11           HE2      PHE  11   8.797  18.814   6.564
  230    HZ   PHE  11           HZ       PHE  11   8.236  17.060   8.199
  231    H    ARG  12           H        ARG  12   5.016  15.329   0.381
  232    HA   ARG  12           HA       ARG  12   4.495  17.683  -0.785
  233    HB2  ARG  12           HB2      ARG  12   3.258  15.001  -1.064
  234    HB3  ARG  12           HB3      ARG  12   2.410  16.341  -1.825
  235    HG2  ARG  12           HG2      ARG  12   4.280  16.859  -3.193
  236    HG3  ARG  12           HG3      ARG  12   5.321  15.755  -2.292
  237    HD2  ARG  12           HD2      ARG  12   4.710  14.040  -3.567
  238    HD3  ARG  12           HD3      ARG  12   3.001  14.371  -3.279
  239    HE   ARG  12           HE       ARG  12   3.946  16.216  -5.154
  240   HH11  ARG  12          HH11      ARG  12   3.357  12.796  -4.870
  241   HH12  ARG  12          HH12      ARG  12   3.036  12.580  -6.559
  242   HH21  ARG  12          HH21      ARG  12   3.527  15.942  -7.379
  243   HH22  ARG  12          HH22      ARG  12   3.134  14.369  -7.985
  244    H    LYS  13           H        LYS  13   1.705  15.872   0.476
  245    HA   LYS  13           HA       LYS  13   0.575  18.434   1.397
  246    HB2  LYS  13           HB2      LYS  13  -0.598  16.251  -0.227
  247    HB3  LYS  13           HB3      LYS  13  -1.640  16.943   1.009
  248    HG2  LYS  13           HG2      LYS  13  -1.192  19.189   0.046
  249    HG3  LYS  13           HG3      LYS  13  -0.301  18.401  -1.258
  250    HD2  LYS  13           HD2      LYS  13  -2.531  17.001  -1.465
  251    HD3  LYS  13           HD3      LYS  13  -3.225  18.429  -0.693
  252    HE2  LYS  13           HE2      LYS  13  -3.423  19.054  -2.876
  253    HE3  LYS  13           HE3      LYS  13  -1.804  19.670  -2.551
  254    HZ1  LYS  13           HZ1      LYS  13  -0.826  17.912  -3.683
  255    HZ2  LYS  13           HZ2      LYS  13  -2.160  18.292  -4.649
  256    HZ3  LYS  13           HZ3      LYS  13  -2.215  16.949  -3.622
  257    H    LEU  14           H        LEU  14   1.521  15.285   2.220
  258    HA   LEU  14           HA       LEU  14   0.044  15.450   4.765
  259    HB2  LEU  14           HB2      LEU  14   0.848  13.123   3.070
  260    HB3  LEU  14           HB3      LEU  14   0.639  12.913   4.807
  261    HG   LEU  14           HG       LEU  14  -1.481  13.848   2.872
  262   HD11  LEU  14          HD11      LEU  14  -1.805  11.354   4.394
  263   HD12  LEU  14          HD12      LEU  14  -0.571  11.320   3.135
  264   HD13  LEU  14          HD13      LEU  14  -2.235  11.736   2.726
  265   HD21  LEU  14          HD21      LEU  14  -2.520  14.656   4.660
  266   HD22  LEU  14          HD22      LEU  14  -1.253  14.057   5.732
  267   HD23  LEU  14          HD23      LEU  14  -2.606  13.012   5.293
  268    H    THR  15           H        THR  15   1.345  16.188   6.306
  269    HA   THR  15           HA       THR  15   4.079  16.378   6.304
  270    HB   THR  15           HB       THR  15   3.211  17.573   8.046
  271    HG1  THR  15           HG1      THR  15   4.045  16.706   9.889
  272   HG21  THR  15          HG21      THR  15   1.010  17.085   8.307
  273   HG22  THR  15          HG22      THR  15   1.603  16.201   9.713
  274   HG23  THR  15          HG23      THR  15   1.275  15.345   8.207
  275    H    HIS  16           H        HIS  16   2.655  14.157   8.652
  276    HA   HIS  16           HA       HIS  16   4.574  12.096   7.787
  277    HB2  HIS  16           HB2      HIS  16   4.518  11.480  10.335
  278    HB3  HIS  16           HB3      HIS  16   5.570  12.772   9.765
  279    HD1  HIS  16           HD1      HIS  16   1.857  12.996  10.518
  280    HD2  HIS  16           HD2      HIS  16   5.489  14.494  11.870
  281    HE1  HIS  16           HE1      HIS  16   1.269  14.723  12.249
  282    H    ARG  17           H        ARG  17   2.831  11.166   6.579
  283    HA   ARG  17           HA       ARG  17   0.877   9.755   8.276
  284    HB2  ARG  17           HB2      ARG  17   0.562  11.110   5.631
  285    HB3  ARG  17           HB3      ARG  17  -0.418   9.690   5.975
  286    HG2  ARG  17           HG2      ARG  17  -1.617  11.728   6.514
  287    HG3  ARG  17           HG3      ARG  17  -1.304  10.782   7.971
  288    HD2  ARG  17           HD2      ARG  17   0.347  12.252   8.715
  289    HD3  ARG  17           HD3      ARG  17   0.561  12.966   7.117
  290    HE   ARG  17           HE       ARG  17  -1.085  14.454   7.631
  291   HH11  ARG  17          HH11      ARG  17  -1.413  11.679   9.709
  292   HH12  ARG  17          HH12      ARG  17  -2.698  12.369  10.645
  293   HH21  ARG  17          HH21      ARG  17  -2.777  15.372   8.856
  294   HH22  ARG  17          HH22      ARG  17  -3.473  14.469  10.159
  295    H    LEU  18           H        LEU  18   1.925   9.462   4.885
  296    HA   LEU  18           HA       LEU  18   1.754   6.678   4.793
  297    HB2  LEU  18           HB2      LEU  18   3.541   8.473   3.158
  298    HB3  LEU  18           HB3      LEU  18   3.076   6.823   2.750
  299    HG   LEU  18           HG       LEU  18   1.043   9.018   3.046
  300   HD11  LEU  18          HD11      LEU  18   1.976  10.008   1.274
  301   HD12  LEU  18          HD12      LEU  18   1.337   8.648   0.352
  302   HD13  LEU  18          HD13      LEU  18   3.006   8.622   0.921
  303   HD21  LEU  18          HD21      LEU  18   0.078   6.852   3.075
  304   HD22  LEU  18          HD22      LEU  18   1.090   6.307   1.737
  305   HD23  LEU  18          HD23      LEU  18  -0.181   7.499   1.456
  306    H    PHE  19           H        PHE  19   3.923   8.555   6.492
  307    HA   PHE  19           HA       PHE  19   6.324   7.097   6.202
  308    HB2  PHE  19           HB2      PHE  19   6.430   9.280   7.172
  309    HB3  PHE  19           HB3      PHE  19   5.277   8.846   8.429
  310    HD1  PHE  19           HD1      PHE  19   6.513   9.265  10.370
  311    HD2  PHE  19           HD2      PHE  19   8.184   6.861   7.279
  312    HE1  PHE  19           HE1      PHE  19   8.371   8.647  11.859
  313    HE2  PHE  19           HE2      PHE  19  10.043   6.238   8.764
  314    HZ   PHE  19           HZ       PHE  19  10.139   7.131  11.057
  315    H    ARG  20           H        ARG  20   3.783   6.945   8.694
  316    HA   ARG  20           HA       ARG  20   4.784   4.271   9.419
  317    HB2  ARG  20           HB2      ARG  20   3.410   6.371  11.094
  318    HB3  ARG  20           HB3      ARG  20   3.604   4.705  11.621
  319    HG2  ARG  20           HG2      ARG  20   5.801   4.954  12.059
  320    HG3  ARG  20           HG3      ARG  20   6.054   6.065  10.710
  321    HD2  ARG  20           HD2      ARG  20   6.381   7.234  12.798
  322    HD3  ARG  20           HD3      ARG  20   4.932   7.841  11.998
  323    HE   ARG  20           HE       ARG  20   3.676   7.057  13.747
  324   HH11  ARG  20          HH11      ARG  20   6.851   5.633  13.884
  325   HH12  ARG  20          HH12      ARG  20   6.604   4.915  15.441
  326   HH21  ARG  20          HH21      ARG  20   3.340   6.116  15.798
  327   HH22  ARG  20          HH22      ARG  20   4.607   5.189  16.527
  328    H    ARG  21           H        ARG  21   2.232   5.990   8.039
  329    HA   ARG  21           HA       ARG  21   0.187   4.047   8.755
  330    HB2  ARG  21           HB2      ARG  21  -0.008   6.418   6.889
  331    HB3  ARG  21           HB3      ARG  21  -1.347   5.481   7.541
  332    HG2  ARG  21           HG2      ARG  21   0.567   7.063   9.238
  333    HG3  ARG  21           HG3      ARG  21  -0.974   7.684   8.642
  334    HD2  ARG  21           HD2      ARG  21  -1.459   5.155   9.822
  335    HD3  ARG  21           HD3      ARG  21  -0.460   6.083  10.940
  336    HE   ARG  21           HE       ARG  21  -3.203   6.543  10.307
  337   HH11  ARG  21          HH11      ARG  21  -0.236   8.113  11.230
  338   HH12  ARG  21          HH12      ARG  21  -1.029   9.458  11.979
  339   HH21  ARG  21          HH21      ARG  21  -4.259   8.310  11.291
  340   HH22  ARG  21          HH22      ARG  21  -3.317   9.569  12.014
  341    H    ASN  22           H        ASN  22   2.501   4.554   6.312
  342    HA   ASN  22           HA       ASN  22   1.146   2.587   4.587
  343    HB2  ASN  22           HB2      ASN  22   1.508   5.028   3.730
  344    HB3  ASN  22           HB3      ASN  22   3.180   4.517   3.517
  345   HD21  ASN  22          HD21      ASN  22   3.248   4.530   1.333
  346   HD22  ASN  22          HD22      ASN  22   2.306   3.485   0.330
  347    H    PHE  23           H        PHE  23   4.305   3.841   5.618
  348    HA   PHE  23           HA       PHE  23   5.498   1.242   4.941
  349    HB2  PHE  23           HB2      PHE  23   6.697   3.984   5.303
  350    HB3  PHE  23           HB3      PHE  23   7.685   2.528   5.252
  351    HD1  PHE  23           HD1      PHE  23   8.072   1.359   3.204
  352    HD2  PHE  23           HD2      PHE  23   5.470   4.726   3.322
  353    HE1  PHE  23           HE1      PHE  23   8.096   1.459   0.746
  354    HE2  PHE  23           HE2      PHE  23   5.489   4.831   0.864
  355    HZ   PHE  23           HZ       PHE  23   6.802   3.196  -0.427
  356    H    GLY  24           H        GLY  24   3.953   2.250   7.431
  357    HA2  GLY  24           HA2      GLY  24   5.995   1.769   9.479
  358    HA3  GLY  24           HA3      GLY  24   4.370   2.378   9.763
  359    H    TYR  25           H        TYR  25   3.403   0.166   7.881
  360    HA   TYR  25           HA       TYR  25   2.945  -1.763   9.974
  361    HB2  TYR  25           HB2      TYR  25   1.669  -1.001   7.519
  362    HB3  TYR  25           HB3      TYR  25   1.942  -2.739   7.516
  363    HD1  TYR  25           HD1      TYR  25   0.497   0.003   9.577
  364    HD2  TYR  25           HD2      TYR  25   0.499  -4.158   8.681
  365    HE1  TYR  25           HE1      TYR  25  -1.473  -0.303  11.018
  366    HE2  TYR  25           HE2      TYR  25  -1.470  -4.474  10.120
  367    HH   TYR  25           HH       TYR  25  -2.487  -3.220  12.150
  368    H    THR  26           H        THR  26   5.435  -1.296   7.897
  369    HA   THR  26           HA       THR  26   5.970  -4.172   7.571
  370    HB   THR  26           HB       THR  26   6.683  -1.791   5.942
  371    HG1  THR  26           HG1      THR  26   6.501  -3.614   4.336
  372   HG21  THR  26          HG21      THR  26   8.892  -2.535   6.577
  373   HG22  THR  26          HG22      THR  26   8.579  -3.020   4.910
  374   HG23  THR  26          HG23      THR  26   8.472  -4.208   6.209
  375    H    LEU  27           H        LEU  27   7.688  -1.115   8.234
  376    HA   LEU  27           HA       LEU  27   9.988  -2.412   9.296
  377    HB2  LEU  27           HB2      LEU  27  10.844  -0.296   9.671
  378    HB3  LEU  27           HB3      LEU  27   9.763  -0.052   8.301
  379    HG   LEU  27           HG       LEU  27   8.088   0.561  10.312
  380   HD11  LEU  27          HD11      LEU  27  10.148   2.120  11.486
  381   HD12  LEU  27          HD12      LEU  27  10.629   0.425  11.559
  382   HD13  LEU  27          HD13      LEU  27   9.088   0.936  12.251
  383   HD21  LEU  27          HD21      LEU  27   8.164   2.649   9.450
  384   HD22  LEU  27          HD22      LEU  27   9.165   1.862   8.230
  385   HD23  LEU  27          HD23      LEU  27   9.922   2.749   9.553
  386    H    ARG  28           H        ARG  28   6.960  -2.263  10.506
  387    HA   ARG  28           HA       ARG  28   7.230  -1.484  13.169
  388    HB2  ARG  28           HB2      ARG  28   5.164  -2.339  11.680
  389    HB3  ARG  28           HB3      ARG  28   5.481  -3.810  12.591
  390    HG2  ARG  28           HG2      ARG  28   4.865  -2.875  14.586
  391    HG3  ARG  28           HG3      ARG  28   5.274  -1.239  14.069
  392    HD2  ARG  28           HD2      ARG  28   3.246  -2.025  12.343
  393    HD3  ARG  28           HD3      ARG  28   2.754  -2.657  13.913
  394    HE   ARG  28           HE       ARG  28   3.601   0.028  14.160
  395   HH11  ARG  28          HH11      ARG  28   0.968  -1.910  12.964
  396   HH12  ARG  28          HH12      ARG  28  -0.220  -0.670  13.189
  397   HH21  ARG  28          HH21      ARG  28   2.046   1.671  14.461
  398   HH22  ARG  28          HH22      ARG  28   0.395   1.368  14.039
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1  -1.529   6.470  -1.215
    2    HA   VAL   1           HA       VAL   1  -0.816   5.622  -3.241
    3    HB   VAL   1           HB       VAL   1   0.782   6.956  -4.657
    4   HG11  VAL   1          HG11      VAL   1  -1.254   8.926  -4.485
    5   HG12  VAL   1          HG12      VAL   1  -1.094   7.608  -5.647
    6   HG13  VAL   1          HG13      VAL   1  -1.980   7.356  -4.142
    7   HG21  VAL   1          HG21      VAL   1   1.330   8.317  -2.380
    8   HG22  VAL   1          HG22      VAL   1   1.657   8.925  -4.003
    9   HG23  VAL   1          HG23      VAL   1   0.189   9.414  -3.158
   10    H    ALA   2           H        ALA   2   1.007   4.408  -3.927
   11    HA   ALA   2           HA       ALA   2   3.188   4.343  -1.944
   12    HB1  ALA   2           HB1      ALA   2   3.414   1.926  -2.607
   13    HB2  ALA   2           HB2      ALA   2   1.933   2.341  -1.743
   14    HB3  ALA   2           HB3      ALA   2   1.899   2.106  -3.491
   15    H    ARG   3           H        ARG   3   3.977   6.082  -3.535
   16    HA   ARG   3           HA       ARG   3   5.506   4.767  -5.684
   17    HB2  ARG   3           HB2      ARG   3   5.160   7.655  -5.970
   18    HB3  ARG   3           HB3      ARG   3   4.943   6.373  -7.153
   19    HG2  ARG   3           HG2      ARG   3   2.724   5.907  -6.253
   20    HG3  ARG   3           HG3      ARG   3   2.942   7.184  -5.054
   21    HD2  ARG   3           HD2      ARG   3   2.604   8.840  -6.561
   22    HD3  ARG   3           HD3      ARG   3   3.381   7.951  -7.871
   23    HE   ARG   3           HE       ARG   3   0.603   8.071  -7.322
   24   HH11  ARG   3          HH11      ARG   3   3.100   5.912  -8.427
   25   HH12  ARG   3          HH12      ARG   3   2.021   4.934  -9.365
   26   HH21  ARG   3          HH21      ARG   3  -0.828   6.792  -8.554
   27   HH22  ARG   3          HH22      ARG   3  -0.213   5.436  -9.437
   28    H    GLY   4           H        GLY   4   5.669   6.357  -2.745
   29    HA2  GLY   4           HA2      GLY   4   8.222   7.663  -3.227
   30    HA3  GLY   4           HA3      GLY   4   7.332   7.637  -1.712
   31    H    TRP   5           H        TRP   5   7.229   4.545  -2.502
   32    HA   TRP   5           HA       TRP   5   9.865   3.929  -1.336
   33    HB2  TRP   5           HB2      TRP   5   7.160   3.155  -0.463
   34    HB3  TRP   5           HB3      TRP   5   8.314   1.826  -0.537
   35    HD1  TRP   5           HD1      TRP   5   9.255   5.404   0.535
   36    HE1  TRP   5           HE1      TRP   5  10.064   5.328   2.977
   37    HE3  TRP   5           HE3      TRP   5   8.225   0.506   1.580
   38    HZ2  TRP   5           HZ2      TRP   5  10.243   3.441   5.068
   39    HZ3  TRP   5           HZ3      TRP   5   8.746  -0.356   3.825
   40    HH2  TRP   5           HH2      TRP   5   9.734   1.084   5.532
   41    H    LYS   6           H        LYS   6   7.298   2.976  -3.522
   42    HA   LYS   6           HA       LYS   6   8.542   0.546  -4.373
   43    HB2  LYS   6           HB2      LYS   6   6.111   2.037  -4.976
   44    HB3  LYS   6           HB3      LYS   6   6.830   1.321  -6.413
   45    HG2  LYS   6           HG2      LYS   6   5.889  -0.073  -3.925
   46    HG3  LYS   6           HG3      LYS   6   5.283  -0.250  -5.573
   47    HD2  LYS   6           HD2      LYS   6   7.962  -0.859  -5.811
   48    HD3  LYS   6           HD3      LYS   6   7.525  -1.560  -4.253
   49    HE2  LYS   6           HE2      LYS   6   5.644  -2.018  -6.488
   50    HE3  LYS   6           HE3      LYS   6   7.202  -2.837  -6.591
   51    HZ1  LYS   6           HZ1      LYS   6   6.560  -3.386  -4.086
   52    HZ2  LYS   6           HZ2      LYS   6   6.100  -4.371  -5.381
   53    HZ3  LYS   6           HZ3      LYS   6   5.002  -3.260  -4.733
   54    H    ARG   7           H        ARG   7   8.099   3.718  -5.943
   55    HA   ARG   7           HA       ARG   7   9.723   3.132  -8.175
   56    HB2  ARG   7           HB2      ARG   7   8.054   4.956  -8.125
   57    HB3  ARG   7           HB3      ARG   7   9.063   5.830  -6.982
   58    HG2  ARG   7           HG2      ARG   7   9.383   6.748  -9.170
   59    HG3  ARG   7           HG3      ARG   7  10.855   5.905  -8.684
   60    HD2  ARG   7           HD2      ARG   7   9.358   3.957  -9.958
   61    HD3  ARG   7           HD3      ARG   7   9.074   5.405 -10.922
   62    HE   ARG   7           HE       ARG   7  11.828   5.147 -10.390
   63   HH11  ARG   7          HH11      ARG   7   9.286   3.692 -12.271
   64   HH12  ARG   7          HH12      ARG   7  10.350   3.138 -13.521
   65   HH21  ARG   7          HH21      ARG   7  13.240   4.423 -12.029
   66   HH22  ARG   7          HH22      ARG   7  12.599   3.554 -13.383
   67    H    LYS   8           H        LYS   8  10.472   3.977  -4.940
   68    HA   LYS   8           HA       LYS   8  13.071   5.080  -5.472
   69    HB2  LYS   8           HB2      LYS   8  11.411   4.527  -3.112
   70    HB3  LYS   8           HB3      LYS   8  13.136   4.318  -2.842
   71    HG2  LYS   8           HG2      LYS   8  12.587   6.547  -2.250
   72    HG3  LYS   8           HG3      LYS   8  13.474   6.614  -3.775
   73    HD2  LYS   8           HD2      LYS   8  11.518   7.049  -5.012
   74    HD3  LYS   8           HD3      LYS   8  10.470   6.567  -3.676
   75    HE2  LYS   8           HE2      LYS   8  10.326   8.857  -3.549
   76    HE3  LYS   8           HE3      LYS   8  11.652   8.540  -2.431
   77    HZ1  LYS   8           HZ1      LYS   8  13.186   8.975  -4.324
   78    HZ2  LYS   8           HZ2      LYS   8  12.294  10.325  -3.831
   79    HZ3  LYS   8           HZ3      LYS   8  11.855   9.488  -5.234
   80    H    CYS   9           H        CYS   9  13.894   3.368  -6.836
   81    HA   CYS   9           HA       CYS   9  14.294   0.736  -5.811
   82    HB2  CYS   9           HB2      CYS   9  14.777   2.152  -8.289
   83    HB3  CYS   9           HB3      CYS   9  16.165   1.161  -7.855
   84    HG   CYS   9           HG       CYS   9  13.711  -0.802  -7.338
   85    HA   PRO  10           HA       PRO  10  18.870   2.164  -5.245
   86    HB2  PRO  10           HB2      PRO  10  19.400   4.811  -5.532
   87    HB3  PRO  10           HB3      PRO  10  19.461   3.668  -6.879
   88    HG2  PRO  10           HG2      PRO  10  17.280   5.566  -6.102
   89    HG3  PRO  10           HG3      PRO  10  17.921   5.198  -7.714
   90    HD2  PRO  10           HD2      PRO  10  15.616   4.125  -6.782
   91    HD3  PRO  10           HD3      PRO  10  16.691   3.257  -7.896
   92    H    LEU  11           H        LEU  11  16.099   3.621  -3.996
   93    HA   LEU  11           HA       LEU  11  17.511   4.601  -1.613
   94    HB2  LEU  11           HB2      LEU  11  14.869   5.233  -2.852
   95    HB3  LEU  11           HB3      LEU  11  15.111   5.505  -1.127
   96    HG   LEU  11           HG       LEU  11  16.620   6.802  -3.394
   97   HD11  LEU  11          HD11      LEU  11  14.780   8.099  -3.315
   98   HD12  LEU  11          HD12      LEU  11  15.588   8.798  -1.913
   99   HD13  LEU  11          HD13      LEU  11  14.342   7.570  -1.691
  100   HD21  LEU  11          HD21      LEU  11  17.023   6.927  -0.414
  101   HD22  LEU  11          HD22      LEU  11  17.645   8.146  -1.526
  102   HD23  LEU  11          HD23      LEU  11  18.195   6.475  -1.652
  103    H    PHE  12           H        PHE  12  14.432   2.964  -2.375
  104    HA   PHE  12           HA       PHE  12  14.470   1.675   0.230
  105    HB2  PHE  12           HB2      PHE  12  12.328   2.479  -0.356
  106    HB3  PHE  12           HB3      PHE  12  12.441   1.832  -1.989
  107    HD1  PHE  12           HD1      PHE  12  11.734   1.070   1.509
  108    HD2  PHE  12           HD2      PHE  12  12.029  -0.512  -2.431
  109    HE1  PHE  12           HE1      PHE  12  10.547  -0.957   2.238
  110    HE2  PHE  12           HE2      PHE  12  10.842  -2.542  -1.709
  111    HZ   PHE  12           HZ       PHE  12  10.098  -2.766   0.628
  112    H    GLY  13           H        GLY  13  14.592   0.787  -3.195
  113    HA2  GLY  13           HA2      GLY  13  14.582  -2.005  -2.851
  114    HA3  GLY  13           HA3      GLY  13  15.234  -1.151  -4.242
  115    H    LYS  14           H        LYS  14  17.410  -0.903  -4.454
  116    HA   LYS  14           HA       LYS  14  19.072  -2.601  -2.855
  117    HB2  LYS  14           HB2      LYS  14  20.137  -0.587  -4.807
  118    HB3  LYS  14           HB3      LYS  14  20.763  -2.182  -4.413
  119    HG2  LYS  14           HG2      LYS  14  18.739  -3.156  -5.511
  120    HG3  LYS  14           HG3      LYS  14  18.329  -1.527  -6.053
  121    HD2  LYS  14           HD2      LYS  14  19.708  -1.741  -7.782
  122    HD3  LYS  14           HD3      LYS  14  21.060  -2.027  -6.685
  123    HE2  LYS  14           HE2      LYS  14  20.467  -4.412  -6.605
  124    HE3  LYS  14           HE3      LYS  14  19.145  -4.111  -7.733
  125    HZ1  LYS  14           HZ1      LYS  14  21.191  -4.986  -8.785
  126    HZ2  LYS  14           HZ2      LYS  14  21.999  -3.569  -8.341
  127    HZ3  LYS  14           HZ3      LYS  14  20.696  -3.497  -9.418
  128    H    GLY  15           H        GLY  15  18.089   0.652  -2.652
  129    HA2  GLY  15           HA2      GLY  15  20.282   1.967  -1.590
  130    HA3  GLY  15           HA3      GLY  15  18.615   2.310  -1.154
  131    H    GLY  16           H        GLY  16  18.280  -0.472  -0.112
  132    HA2  GLY  16           HA2      GLY  16  18.865   0.061   2.591
  133    HA3  GLY  16           HA3      GLY  16  18.371  -1.495   1.939
  134    H1   LYS   1           H        LYS   1  17.305   0.773   4.074
  135    HA   LYS   1           HA       LYS   1  17.142   3.563   4.980
  136    HB2  LYS   1           HB2      LYS   1  17.640   2.311   2.292
  137    HB3  LYS   1           HB3      LYS   1  17.131   3.988   2.432
  138    HG2  LYS   1           HG2      LYS   1  19.192   3.918   4.194
  139    HG3  LYS   1           HG3      LYS   1  19.728   2.750   2.983
  140    HD2  LYS   1           HD2      LYS   1  18.705   4.903   1.527
  141    HD3  LYS   1           HD3      LYS   1  19.629   5.631   2.842
  142    HE2  LYS   1           HE2      LYS   1  21.310   3.654   2.050
  143    HE3  LYS   1           HE3      LYS   1  20.538   4.071   0.522
  144    HZ1  LYS   1           HZ1      LYS   1  22.217   5.742   2.268
  145    HZ2  LYS   1           HZ2      LYS   1  21.081   6.476   1.254
  146    HZ3  LYS   1           HZ3      LYS   1  22.307   5.517   0.594
  147    H    TYR   2           H        TYR   2  15.066   3.550   5.837
  148    HA   TYR   2           HA       TYR   2  12.903   3.119   3.883
  149    HB2  TYR   2           HB2      TYR   2  11.686   3.026   6.358
  150    HB3  TYR   2           HB3      TYR   2  12.120   1.632   5.375
  151    HD1  TYR   2           HD1      TYR   2  14.212   0.390   5.848
  152    HD2  TYR   2           HD2      TYR   2  12.857   3.532   8.377
  153    HE1  TYR   2           HE1      TYR   2  15.718  -0.400   7.625
  154    HE2  TYR   2           HE2      TYR   2  14.359   2.752  10.162
  155    HH   TYR   2           HH       TYR   2  15.453   0.279  10.694
  156    H    GLU   3           H        GLU   3  13.517   4.861   6.939
  157    HA   GLU   3           HA       GLU   3  11.569   6.812   6.645
  158    HB2  GLU   3           HB2      GLU   3  12.952   8.178   8.195
  159    HB3  GLU   3           HB3      GLU   3  12.716   6.524   8.743
  160    HG2  GLU   3           HG2      GLU   3  15.029   6.257   7.383
  161    HG3  GLU   3           HG3      GLU   3  15.172   7.923   7.943
  162    H    ILE   4           H        ILE   4  14.933   6.830   5.533
  163    HA   ILE   4           HA       ILE   4  14.849   9.459   4.461
  164    HB   ILE   4           HB       ILE   4  16.966   8.354   5.030
  165   HG12  ILE   4          HG12      ILE   4  18.226   9.209   3.216
  166   HG13  ILE   4          HG13      ILE   4  16.948   8.860   2.059
  167   HG21  ILE   4          HG21      ILE   4  17.764   6.451   4.044
  168   HG22  ILE   4          HG22      ILE   4  16.034   6.121   3.993
  169   HG23  ILE   4          HG23      ILE   4  16.860   6.711   2.552
  170   HD11  ILE   4          HD11      ILE   4  16.814  10.944   4.225
  171   HD12  ILE   4          HD12      ILE   4  17.152  11.248   2.520
  172   HD13  ILE   4          HD13      ILE   4  15.579  10.618   3.009
  173    H    THR   5           H        THR   5  13.338   6.664   3.478
  174    HA   THR   5           HA       THR   5  13.452   7.291   0.625
  175    HB   THR   5           HB       THR   5  12.002   5.003   1.965
  176    HG1  THR   5           HG1      THR   5  14.312   4.960   2.298
  177   HG21  THR   5          HG21      THR   5  11.709   5.943  -0.573
  178   HG22  THR   5          HG22      THR   5  11.451   4.265  -0.091
  179   HG23  THR   5          HG23      THR   5  12.994   4.756  -0.789
  180    H    THR   6           H        THR   6  11.241   7.302   3.346
  181    HA   THR   6           HA       THR   6   9.023   8.142   1.640
  182    HB   THR   6           HB       THR   6   8.109   8.241   4.253
  183    HG1  THR   6           HG1      THR   6   8.905   5.923   4.782
  184   HG21  THR   6          HG21      THR   6   7.690   5.618   3.220
  185   HG22  THR   6          HG22      THR   6   7.654   6.760   1.877
  186   HG23  THR   6          HG23      THR   6   6.572   6.980   3.252
  187    H    ILE   7           H        ILE   7  11.097   9.348   4.219
  188    HA   ILE   7           HA       ILE   7   9.738  11.788   4.652
  189    HB   ILE   7           HB       ILE   7  12.635  11.071   5.117
  190   HG12  ILE   7          HG12      ILE   7  10.348  11.295   7.083
  191   HG13  ILE   7          HG13      ILE   7  10.890   9.775   6.377
  192   HG21  ILE   7          HG21      ILE   7  12.424  13.470   4.930
  193   HG22  ILE   7          HG22      ILE   7  11.061  13.468   6.048
  194   HG23  ILE   7          HG23      ILE   7  12.670  13.029   6.620
  195   HD11  ILE   7          HD11      ILE   7  12.391  11.590   8.238
  196   HD12  ILE   7          HD12      ILE   7  11.876   9.924   8.510
  197   HD13  ILE   7          HD13      ILE   7  13.157  10.272   7.349
  198    H    HIS   8           H        HIS   8  12.261  10.815   2.403
  199    HA   HIS   8           HA       HIS   8  12.720  13.491   1.446
  200    HB2  HIS   8           HB2      HIS   8  14.125  11.099   1.328
  201    HB3  HIS   8           HB3      HIS   8  13.597  11.355  -0.332
  202    HD1  HIS   8           HD1      HIS   8  13.834  14.589   0.058
  203    HD2  HIS   8           HD2      HIS   8  16.778  11.712   0.622
  204    HE1  HIS   8           HE1      HIS   8  16.020  15.805  -0.201
  205    H    ASN   9           H        ASN   9  10.261  11.311   1.017
  206    HA   ASN   9           HA       ASN   9   9.587  12.442  -1.620
  207    HB2  ASN   9           HB2      ASN   9  10.085   9.980  -1.639
  208    HB3  ASN   9           HB3      ASN   9   8.708   9.747  -0.567
  209   HD21  ASN   9          HD21      ASN   9   6.674   9.793  -1.380
  210   HD22  ASN   9          HD22      ASN   9   6.315   9.942  -3.063
  211    H    LEU  10           H        LEU  10   8.863  12.598   1.554
  212    HA   LEU  10           HA       LEU  10   6.025  13.192   1.026
  213    HB2  LEU  10           HB2      LEU  10   5.387  12.336   3.067
  214    HB3  LEU  10           HB3      LEU  10   6.644  11.209   2.563
  215    HG   LEU  10           HG       LEU  10   8.174  12.798   4.012
  216   HD11  LEU  10          HD11      LEU  10   5.536  13.772   4.558
  217   HD12  LEU  10          HD12      LEU  10   7.089  14.363   5.146
  218   HD13  LEU  10          HD13      LEU  10   6.241  13.092   6.025
  219   HD21  LEU  10          HD21      LEU  10   7.407  10.316   4.290
  220   HD22  LEU  10          HD22      LEU  10   6.387  10.981   5.566
  221   HD23  LEU  10          HD23      LEU  10   8.139  11.177   5.644
  222    H    PHE  11           H        PHE  11   9.043  14.330   2.132
  223    HA   PHE  11           HA       PHE  11   8.397  16.323   3.934
  224    HB2  PHE  11           HB2      PHE  11  10.644  15.641   2.295
  225    HB3  PHE  11           HB3      PHE  11  10.389  17.381   2.213
  226    HD1  PHE  11           HD1      PHE  11   9.736  15.115   5.073
  227    HD2  PHE  11           HD2      PHE  11  12.164  18.220   3.470
  228    HE1  PHE  11           HE1      PHE  11  10.840  15.375   7.257
  229    HE2  PHE  11           HE2      PHE  11  13.273  18.484   5.650
  230    HZ   PHE  11           HZ       PHE  11  12.611  17.060   7.547
  231    H    ARG  12           H        ARG  12   7.850  16.194   0.508
  232    HA   ARG  12           HA       ARG  12   7.499  18.936  -0.008
  233    HB2  ARG  12           HB2      ARG  12   6.405  16.461  -1.333
  234    HB3  ARG  12           HB3      ARG  12   6.043  18.077  -1.924
  235    HG2  ARG  12           HG2      ARG  12   8.822  16.963  -1.612
  236    HG3  ARG  12           HG3      ARG  12   7.902  16.962  -3.119
  237    HD2  ARG  12           HD2      ARG  12   7.679  19.544  -2.522
  238    HD3  ARG  12           HD3      ARG  12   9.187  19.211  -1.671
  239    HE   ARG  12           HE       ARG  12   9.355  18.157  -4.265
  240   HH11  ARG  12          HH11      ARG  12   9.228  21.226  -2.626
  241   HH12  ARG  12          HH12      ARG  12  10.129  22.062  -3.846
  242   HH21  ARG  12          HH21      ARG  12  10.543  19.248  -5.879
  243   HH22  ARG  12          HH22      ARG  12  10.875  20.937  -5.697
  244    H    LYS  13           H        LYS  13   4.965  16.452   0.388
  245    HA   LYS  13           HA       LYS  13   3.246  18.540   1.560
  246    HB2  LYS  13           HB2      LYS  13   2.631  16.432  -0.477
  247    HB3  LYS  13           HB3      LYS  13   1.361  16.993   0.602
  248    HG2  LYS  13           HG2      LYS  13   1.732  19.290  -0.173
  249    HG3  LYS  13           HG3      LYS  13   2.977  18.703  -1.279
  250    HD2  LYS  13           HD2      LYS  13   1.316  17.331  -2.429
  251    HD3  LYS  13           HD3      LYS  13   0.070  17.887  -1.309
  252    HE2  LYS  13           HE2      LYS  13   1.488  20.102  -2.517
  253    HE3  LYS  13           HE3      LYS  13   0.781  19.045  -3.738
  254    HZ1  LYS  13           HZ1      LYS  13  -1.333  19.480  -3.026
  255    HZ2  LYS  13           HZ2      LYS  13  -0.603  20.970  -2.699
  256    HZ3  LYS  13           HZ3      LYS  13  -0.862  19.863  -1.447
  257    H    LEU  14           H        LEU  14   4.527  17.499   3.460
  258    HA   LEU  14           HA       LEU  14   3.942  14.940   4.399
  259    HB2  LEU  14           HB2      LEU  14   4.295  16.196   6.706
  260    HB3  LEU  14           HB3      LEU  14   5.628  15.840   5.610
  261    HG   LEU  14           HG       LEU  14   5.609  18.119   4.794
  262   HD11  LEU  14          HD11      LEU  14   3.154  18.455   5.031
  263   HD12  LEU  14          HD12      LEU  14   4.125  19.798   5.632
  264   HD13  LEU  14          HD13      LEU  14   3.397  18.661   6.766
  265   HD21  LEU  14          HD21      LEU  14   6.790  17.445   6.951
  266   HD22  LEU  14          HD22      LEU  14   5.484  18.280   7.790
  267   HD23  LEU  14          HD23      LEU  14   6.528  19.167   6.679
  268    H    THR  15           H        THR  15   1.655  14.797   3.794
  269    HA   THR  15           HA       THR  15  -0.076  15.835   5.941
  270    HB   THR  15           HB       THR  15  -0.451  15.940   3.006
  271    HG1  THR  15           HG1      THR  15  -1.561  17.831   3.633
  272   HG21  THR  15          HG21      THR  15  -2.169  14.351   3.438
  273   HG22  THR  15          HG22      THR  15  -2.954  15.926   3.330
  274   HG23  THR  15          HG23      THR  15  -2.667  15.191   4.907
  275    H    HIS  16           H        HIS  16   0.559  13.245   3.635
  276    HA   HIS  16           HA       HIS  16  -1.471  11.528   4.767
  277    HB2  HIS  16           HB2      HIS  16   0.694  10.933   2.739
  278    HB3  HIS  16           HB3      HIS  16  -0.635   9.858   3.160
  279    HD1  HIS  16           HD1      HIS  16  -3.076  10.745   2.502
  280    HD2  HIS  16           HD2      HIS  16   0.123  12.774   0.798
  281    HE1  HIS  16           HE1      HIS  16  -4.050  12.041   0.580
  282    H    ARG  17           H        ARG  17  -1.208  10.212   6.442
  283    HA   ARG  17           HA       ARG  17   1.333  10.024   7.763
  284    HB2  ARG  17           HB2      ARG  17  -1.181   8.480   8.404
  285    HB3  ARG  17           HB3      ARG  17   0.166   8.827   9.481
  286    HG2  ARG  17           HG2      ARG  17  -1.001  10.565  10.209
  287    HG3  ARG  17           HG3      ARG  17  -0.702  11.323   8.643
  288    HD2  ARG  17           HD2      ARG  17  -2.803  10.915   7.894
  289    HD3  ARG  17           HD3      ARG  17  -2.931   9.387   8.766
  290    HE   ARG  17           HE       ARG  17  -3.907  10.510  10.501
  291   HH11  ARG  17          HH11      ARG  17  -2.289  12.803   8.441
  292   HH12  ARG  17          HH12      ARG  17  -2.914  14.188   9.273
  293   HH21  ARG  17          HH21      ARG  17  -4.737  12.326  11.604
  294   HH22  ARG  17          HH22      ARG  17  -4.305  13.916  11.072
  295    H    LEU  18           H        LEU  18   0.306   8.550   5.090
  296    HA   LEU  18           HA       LEU  18   0.563   5.829   5.376
  297    HB2  LEU  18           HB2      LEU  18   1.432   5.835   3.035
  298    HB3  LEU  18           HB3      LEU  18  -0.070   6.725   3.276
  299    HG   LEU  18           HG       LEU  18   1.581   8.776   3.479
  300   HD11  LEU  18          HD11      LEU  18   3.699   8.023   3.231
  301   HD12  LEU  18          HD12      LEU  18   3.306   8.199   1.521
  302   HD13  LEU  18          HD13      LEU  18   3.208   6.614   2.290
  303   HD21  LEU  18          HD21      LEU  18   1.046   7.637   0.753
  304   HD22  LEU  18          HD22      LEU  18   1.061   9.326   1.259
  305   HD23  LEU  18          HD23      LEU  18  -0.247   8.261   1.777
  306    H    PHE  19           H        PHE  19   3.012   8.254   5.632
  307    HA   PHE  19           HA       PHE  19   5.341   6.935   5.051
  308    HB2  PHE  19           HB2      PHE  19   5.493   9.211   5.690
  309    HB3  PHE  19           HB3      PHE  19   4.705   8.911   7.235
  310    HD1  PHE  19           HD1      PHE  19   7.392   6.831   5.811
  311    HD2  PHE  19           HD2      PHE  19   6.364   9.835   8.646
  312    HE1  PHE  19           HE1      PHE  19   9.593   6.572   6.879
  313    HE2  PHE  19           HE2      PHE  19   8.563   9.581   9.718
  314    HZ   PHE  19           HZ       PHE  19  10.182   7.948   8.835
  315    H    ARG  20           H        ARG  20   3.823   7.023   8.280
  316    HA   ARG  20           HA       ARG  20   5.275   4.550   8.935
  317    HB2  ARG  20           HB2      ARG  20   5.018   5.145  11.265
  318    HB3  ARG  20           HB3      ARG  20   5.711   6.506  10.394
  319    HG2  ARG  20           HG2      ARG  20   3.223   7.282  10.219
  320    HG3  ARG  20           HG3      ARG  20   3.008   6.209  11.602
  321    HD2  ARG  20           HD2      ARG  20   4.867   7.417  12.740
  322    HD3  ARG  20           HD3      ARG  20   4.889   8.554  11.392
  323    HE   ARG  20           HE       ARG  20   3.001   9.542  12.236
  324   HH11  ARG  20          HH11      ARG  20   3.486   6.467  13.793
  325   HH12  ARG  20          HH12      ARG  20   2.245   6.722  14.975
  326   HH21  ARG  20          HH21      ARG  20   1.364   9.890  13.787
  327   HH22  ARG  20          HH22      ARG  20   1.039   8.669  14.971
  328    H    ARG  21           H        ARG  21   2.126   6.014   8.684
  329    HA   ARG  21           HA       ARG  21   0.678   3.991  10.059
  330    HB2  ARG  21           HB2      ARG  21  -0.024   6.418   9.372
  331    HB3  ARG  21           HB3      ARG  21  -0.538   5.645   7.878
  332    HG2  ARG  21           HG2      ARG  21  -2.435   5.046   8.837
  333    HG3  ARG  21           HG3      ARG  21  -1.541   4.110  10.037
  334    HD2  ARG  21           HD2      ARG  21  -1.226   6.258  11.312
  335    HD3  ARG  21           HD3      ARG  21  -2.367   7.001  10.191
  336    HE   ARG  21           HE       ARG  21  -3.495   4.667  11.302
  337   HH11  ARG  21          HH11      ARG  21  -2.632   7.933  12.143
  338   HH12  ARG  21          HH12      ARG  21  -3.847   8.077  13.371
  339   HH21  ARG  21          HH21      ARG  21  -5.098   4.844  12.915
  340   HH22  ARG  21          HH22      ARG  21  -5.248   6.318  13.810
  341    H    ASN  22           H        ASN  22   2.124   4.149   6.972
  342    HA   ASN  22           HA       ASN  22   0.672   1.718   6.155
  343    HB2  ASN  22           HB2      ASN  22   0.338   3.939   4.806
  344    HB3  ASN  22           HB3      ASN  22   1.922   3.552   4.140
  345   HD21  ASN  22          HD21      ASN  22  -0.617   3.684   2.781
  346   HD22  ASN  22          HD22      ASN  22  -0.894   2.121   2.097
  347    H    PHE  23           H        PHE  23   3.691   3.523   5.564
  348    HA   PHE  23           HA       PHE  23   5.079   1.026   4.996
  349    HB2  PHE  23           HB2      PHE  23   5.974   3.911   4.853
  350    HB3  PHE  23           HB3      PHE  23   7.004   2.537   4.462
  351    HD1  PHE  23           HD1      PHE  23   5.856   0.840   2.734
  352    HD2  PHE  23           HD2      PHE  23   4.967   4.985   3.105
  353    HE1  PHE  23           HE1      PHE  23   5.009   0.861   0.424
  354    HE2  PHE  23           HE2      PHE  23   4.118   5.013   0.796
  355    HZ   PHE  23           HZ       PHE  23   4.137   2.949  -0.548
  356    H    GLY  24           H        GLY  24   4.134   2.160   7.739
  357    HA2  GLY  24           HA2      GLY  24   6.739   1.908   9.108
  358    HA3  GLY  24           HA3      GLY  24   5.362   2.790   9.752
  359    H    TYR  25           H        TYR  25   3.591   0.531   8.758
  360    HA   TYR  25           HA       TYR  25   3.676  -0.982  11.203
  361    HB2  TYR  25           HB2      TYR  25   1.759  -0.465   9.099
  362    HB3  TYR  25           HB3      TYR  25   1.824  -2.184   9.472
  363    HD1  TYR  25           HD1      TYR  25   1.147  -3.010  11.658
  364    HD2  TYR  25           HD2      TYR  25   0.975   1.141  10.741
  365    HE1  TYR  25           HE1      TYR  25  -0.271  -2.639  13.633
  366    HE2  TYR  25           HE2      TYR  25  -0.442   1.524  12.714
  367    HH   TYR  25           HH       TYR  25  -0.713   0.079  15.094
  368    H    THR  26           H        THR  26   5.130  -1.278   8.186
  369    HA   THR  26           HA       THR  26   5.308  -4.196   8.322
  370    HB   THR  26           HB       THR  26   5.754  -2.183   6.183
  371    HG1  THR  26           HG1      THR  26   4.629  -4.788   6.386
  372   HG21  THR  26          HG21      THR  26   7.946  -3.203   6.264
  373   HG22  THR  26          HG22      THR  26   7.072  -3.816   4.860
  374   HG23  THR  26          HG23      THR  26   7.231  -4.814   6.304
  375    H    LEU  27           H        LEU  27   7.498  -1.404   7.958
  376    HA   LEU  27           HA       LEU  27   9.851  -2.913   8.460
  377    HB2  LEU  27           HB2      LEU  27   9.144  -0.094   8.047
  378    HB3  LEU  27           HB3      LEU  27  10.559  -0.356   9.063
  379    HG   LEU  27           HG       LEU  27  11.028   0.030   6.628
  380   HD11  LEU  27          HD11      LEU  27  12.838  -1.445   6.592
  381   HD12  LEU  27          HD12      LEU  27  11.968  -2.680   7.502
  382   HD13  LEU  27          HD13      LEU  27  12.505  -1.206   8.308
  383   HD21  LEU  27          HD21      LEU  27   9.953  -2.767   6.304
  384   HD22  LEU  27          HD22      LEU  27  10.624  -1.724   5.051
  385   HD23  LEU  27          HD23      LEU  27   9.088  -1.309   5.814
  386    H    ARG  28           H        ARG  28   7.393  -2.178  10.492
  387    HA   ARG  28           HA       ARG  28   8.528  -1.194  12.819
  388    HB2  ARG  28           HB2      ARG  28   6.095  -1.599  12.437
  389    HB3  ARG  28           HB3      ARG  28   6.387  -3.320  12.654
  390    HG2  ARG  28           HG2      ARG  28   6.840  -3.086  14.920
  391    HG3  ARG  28           HG3      ARG  28   7.158  -1.356  14.773
  392    HD2  ARG  28           HD2      ARG  28   4.992  -0.822  14.999
  393    HD3  ARG  28           HD3      ARG  28   4.465  -2.136  13.950
  394    HE   ARG  28           HE       ARG  28   4.071  -3.407  15.808
  395   HH11  ARG  28          HH11      ARG  28   6.119  -0.731  16.682
  396   HH12  ARG  28          HH12      ARG  28   6.046  -1.060  18.381
  397   HH21  ARG  28          HH21      ARG  28   3.967  -3.852  18.044
  398   HH22  ARG  28          HH22      ARG  28   4.823  -2.837  19.155
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1  -0.184   3.363   0.062
    2    HA   VAL   1           HA       VAL   1   0.469   2.438  -1.965
    3    HB   VAL   1           HB       VAL   1   1.484   3.902  -3.737
    4   HG11  VAL   1          HG11      VAL   1  -0.880   5.313  -3.742
    5   HG12  VAL   1          HG12      VAL   1  -0.639   3.694  -4.401
    6   HG13  VAL   1          HG13      VAL   1  -1.258   3.898  -2.761
    7   HG21  VAL   1          HG21      VAL   1   0.432   6.358  -2.579
    8   HG22  VAL   1          HG22      VAL   1   1.795   5.701  -1.674
    9   HG23  VAL   1          HG23      VAL   1   1.967   6.058  -3.393
   10    H    ALA   2           H        ALA   2   2.401   1.475  -2.533
   11    HA   ALA   2           HA       ALA   2   4.736   2.341  -0.963
   12    HB1  ALA   2           HB1      ALA   2   4.265  -0.397  -2.124
   13    HB2  ALA   2           HB2      ALA   2   5.475   0.080  -0.931
   14    HB3  ALA   2           HB3      ALA   2   3.766   0.075  -0.499
   15    H    ARG   3           H        ARG   3   4.875   3.907  -2.891
   16    HA   ARG   3           HA       ARG   3   6.479   2.639  -5.014
   17    HB2  ARG   3           HB2      ARG   3   5.369   5.251  -5.692
   18    HB3  ARG   3           HB3      ARG   3   5.356   3.750  -6.610
   19    HG2  ARG   3           HG2      ARG   3   3.437   2.970  -5.323
   20    HG3  ARG   3           HG3      ARG   3   3.456   4.465  -4.385
   21    HD2  ARG   3           HD2      ARG   3   3.287   4.581  -7.366
   22    HD3  ARG   3           HD3      ARG   3   1.844   4.210  -6.424
   23    HE   ARG   3           HE       ARG   3   3.033   6.485  -5.325
   24   HH11  ARG   3          HH11      ARG   3   1.449   5.494  -8.263
   25   HH12  ARG   3          HH12      ARG   3   0.830   7.074  -8.617
   26   HH21  ARG   3          HH21      ARG   3   2.225   8.569  -5.780
   27   HH22  ARG   3          HH22      ARG   3   1.274   8.822  -7.204
   28    H    GLY   4           H        GLY   4   6.523   4.697  -2.388
   29    HA2  GLY   4           HA2      GLY   4   8.610   6.450  -3.430
   30    HA3  GLY   4           HA3      GLY   4   7.859   6.554  -1.845
   31    H    TRP   5           H        TRP   5   8.494   3.404  -2.095
   32    HA   TRP   5           HA       TRP   5  11.197   3.696  -0.958
   33    HB2  TRP   5           HB2      TRP   5   8.847   2.064  -0.117
   34    HB3  TRP   5           HB3      TRP   5  10.454   1.389   0.134
   35    HD1  TRP   5           HD1      TRP   5  10.251   5.126   0.508
   36    HE1  TRP   5           HE1      TRP   5  10.416   5.752   2.999
   37    HE3  TRP   5           HE3      TRP   5   9.761   0.466   2.551
   38    HZ2  TRP   5           HZ2      TRP   5  10.347   4.443   5.499
   39    HZ3  TRP   5           HZ3      TRP   5   9.822   0.239   5.001
   40    HH2  TRP   5           HH2      TRP   5  10.110   2.188   6.441
   41    H    LYS   6           H        LYS   6   9.511   2.560  -3.565
   42    HA   LYS   6           HA       LYS   6  11.496   0.445  -4.093
   43    HB2  LYS   6           HB2      LYS   6   9.885  -0.644  -5.510
   44    HB3  LYS   6           HB3      LYS   6   9.131  -0.331  -3.953
   45    HG2  LYS   6           HG2      LYS   6   7.444   0.392  -5.260
   46    HG3  LYS   6           HG3      LYS   6   8.381   1.888  -5.243
   47    HD2  LYS   6           HD2      LYS   6   8.302   1.753  -7.478
   48    HD3  LYS   6           HD3      LYS   6   9.528   0.494  -7.308
   49    HE2  LYS   6           HE2      LYS   6   8.115  -0.930  -8.264
   50    HE3  LYS   6           HE3      LYS   6   7.067  -0.768  -6.856
   51    HZ1  LYS   6           HZ1      LYS   6   6.789   1.401  -8.710
   52    HZ2  LYS   6           HZ2      LYS   6   5.602   0.419  -8.013
   53    HZ3  LYS   6           HZ3      LYS   6   6.414  -0.096  -9.405
   54    H    ARG   7           H        ARG   7   9.855   3.277  -5.344
   55    HA   ARG   7           HA       ARG   7  10.726   3.229  -7.987
   56    HB2  ARG   7           HB2      ARG   7   9.058   4.819  -7.133
   57    HB3  ARG   7           HB3      ARG   7  10.309   5.635  -6.205
   58    HG2  ARG   7           HG2      ARG   7   9.833   6.891  -8.197
   59    HG3  ARG   7           HG3      ARG   7  11.457   6.209  -8.308
   60    HD2  ARG   7           HD2      ARG   7   9.800   4.270  -9.415
   61    HD3  ARG   7           HD3      ARG   7   9.157   5.799 -10.014
   62    HE   ARG   7           HE       ARG   7  11.966   5.753 -10.291
   63   HH11  ARG   7          HH11      ARG   7   9.069   4.380 -11.650
   64   HH12  ARG   7          HH12      ARG   7   9.760   4.144 -13.220
   65   HH21  ARG   7          HH21      ARG   7  12.888   5.447 -12.355
   66   HH22  ARG   7          HH22      ARG   7  11.933   4.751 -13.621
   67    H    LYS   8           H        LYS   8  12.476   3.835  -5.082
   68    HA   LYS   8           HA       LYS   8  14.794   4.780  -6.632
   69    HB2  LYS   8           HB2      LYS   8  13.949   5.208  -3.784
   70    HB3  LYS   8           HB3      LYS   8  15.637   5.382  -4.246
   71    HG2  LYS   8           HG2      LYS   8  14.516   7.530  -4.239
   72    HG3  LYS   8           HG3      LYS   8  15.018   7.094  -5.874
   73    HD2  LYS   8           HD2      LYS   8  12.810   6.540  -6.508
   74    HD3  LYS   8           HD3      LYS   8  12.247   6.549  -4.835
   75    HE2  LYS   8           HE2      LYS   8  11.835   8.737  -4.902
   76    HE3  LYS   8           HE3      LYS   8  13.428   9.083  -5.572
   77    HZ1  LYS   8           HZ1      LYS   8  10.881   8.710  -6.936
   78    HZ2  LYS   8           HZ2      LYS   8  12.250   8.095  -7.715
   79    HZ3  LYS   8           HZ3      LYS   8  12.170   9.737  -7.315
   80    H    CYS   9           H        CYS   9  16.088   3.141  -7.153
   81    HA   CYS   9           HA       CYS   9  16.195   0.699  -5.694
   82    HB2  CYS   9           HB2      CYS   9  17.244   1.742  -8.179
   83    HB3  CYS   9           HB3      CYS   9  18.482   0.843  -7.312
   84    HG   CYS   9           HG       CYS   9  15.426  -0.353  -8.276
   85    HA   PRO  10           HA       PRO  10  20.539   2.377  -4.339
   86    HB2  PRO  10           HB2      PRO  10  20.933   5.050  -4.602
   87    HB3  PRO  10           HB3      PRO  10  21.344   3.889  -5.870
   88    HG2  PRO  10           HG2      PRO  10  18.926   5.635  -5.613
   89    HG3  PRO  10           HG3      PRO  10  19.905   5.285  -7.050
   90    HD2  PRO  10           HD2      PRO  10  17.538   4.062  -6.566
   91    HD3  PRO  10           HD3      PRO  10  18.874   3.254  -7.410
   92    H    LEU  11           H        LEU  11  17.575   2.921  -3.410
   93    HA   LEU  11           HA       LEU  11  18.350   4.374  -0.966
   94    HB2  LEU  11           HB2      LEU  11  15.795   4.465  -2.540
   95    HB3  LEU  11           HB3      LEU  11  15.864   4.960  -0.851
   96    HG   LEU  11           HG       LEU  11  17.120   6.262  -3.245
   97   HD11  LEU  11          HD11      LEU  11  15.713   7.679  -1.044
   98   HD12  LEU  11          HD12      LEU  11  14.753   6.728  -2.177
   99   HD13  LEU  11          HD13      LEU  11  15.773   8.040  -2.770
  100   HD21  LEU  11          HD21      LEU  11  18.953   6.352  -1.849
  101   HD22  LEU  11          HD22      LEU  11  17.972   6.391  -0.384
  102   HD23  LEU  11          HD23      LEU  11  18.092   7.826  -1.405
  103    H    PHE  12           H        PHE  12  15.421   2.578  -1.853
  104    HA   PHE  12           HA       PHE  12  15.971   0.746   0.389
  105    HB2  PHE  12           HB2      PHE  12  13.744   2.473  -0.028
  106    HB3  PHE  12           HB3      PHE  12  13.179   0.814  -0.182
  107    HD1  PHE  12           HD1      PHE  12  12.196   0.064   1.741
  108    HD2  PHE  12           HD2      PHE  12  15.645   2.542   2.025
  109    HE1  PHE  12           HE1      PHE  12  12.142  -0.147   4.192
  110    HE2  PHE  12           HE2      PHE  12  15.597   2.335   4.476
  111    HZ   PHE  12           HZ       PHE  12  13.844   0.988   5.562
  112    H    GLY  13           H        GLY  13  15.028   1.113  -2.919
  113    HA2  GLY  13           HA2      GLY  13  13.841  -1.347  -3.457
  114    HA3  GLY  13           HA3      GLY  13  14.778  -0.413  -4.614
  115    H    LYS  14           H        LYS  14  17.071  -0.767  -4.725
  116    HA   LYS  14           HA       LYS  14  17.751  -3.543  -4.108
  117    HB2  LYS  14           HB2      LYS  14  19.410  -3.398  -5.781
  118    HB3  LYS  14           HB3      LYS  14  18.024  -2.532  -6.430
  119    HG2  LYS  14           HG2      LYS  14  19.078  -0.407  -5.716
  120    HG3  LYS  14           HG3      LYS  14  20.500  -1.325  -5.215
  121    HD2  LYS  14           HD2      LYS  14  19.509  -1.769  -7.973
  122    HD3  LYS  14           HD3      LYS  14  20.270  -0.213  -7.634
  123    HE2  LYS  14           HE2      LYS  14  21.926  -2.110  -6.435
  124    HE3  LYS  14           HE3      LYS  14  21.470  -2.816  -7.985
  125    HZ1  LYS  14           HZ1      LYS  14  22.121  -0.081  -8.303
  126    HZ2  LYS  14           HZ2      LYS  14  22.829  -1.434  -9.027
  127    HZ3  LYS  14           HZ3      LYS  14  23.392  -0.886  -7.529
  128    H    GLY  15           H        GLY  15  18.133  -0.555  -2.724
  129    HA2  GLY  15           HA2      GLY  15  20.840  -0.968  -1.744
  130    HA3  GLY  15           HA3      GLY  15  19.797   0.401  -1.387
  131    H    GLY  16           H        GLY  16  17.550  -0.884  -0.400
  132    HA2  GLY  16           HA2      GLY  16  18.594  -1.790   2.180
  133    HA3  GLY  16           HA3      GLY  16  16.957  -1.235   1.862
  134    H1   LYS   1           H        LYS   1  18.380   4.056   4.939
  135    HA   LYS   1           HA       LYS   1  17.145   6.423   6.170
  136    HB2  LYS   1           HB2      LYS   1  18.352   5.920   3.466
  137    HB3  LYS   1           HB3      LYS   1  17.229   7.251   3.714
  138    HG2  LYS   1           HG2      LYS   1  18.777   8.504   4.703
  139    HG3  LYS   1           HG3      LYS   1  19.320   7.174   5.727
  140    HD2  LYS   1           HD2      LYS   1  20.799   6.372   4.074
  141    HD3  LYS   1           HD3      LYS   1  20.052   7.360   2.816
  142    HE2  LYS   1           HE2      LYS   1  20.822   9.380   4.115
  143    HE3  LYS   1           HE3      LYS   1  21.761   8.277   5.119
  144    HZ1  LYS   1           HZ1      LYS   1  23.090   7.662   3.302
  145    HZ2  LYS   1           HZ2      LYS   1  22.966   9.346   3.200
  146    HZ3  LYS   1           HZ3      LYS   1  22.044   8.367   2.173
  147    H    TYR   2           H        TYR   2  15.060   5.949   6.570
  148    HA   TYR   2           HA       TYR   2  13.466   4.874   4.336
  149    HB2  TYR   2           HB2      TYR   2  11.976   4.341   6.592
  150    HB3  TYR   2           HB3      TYR   2  12.983   3.180   5.734
  151    HD1  TYR   2           HD1      TYR   2  12.645   5.232   8.727
  152    HD2  TYR   2           HD2      TYR   2  15.203   2.586   6.594
  153    HE1  TYR   2           HE1      TYR   2  14.014   4.936  10.749
  154    HE2  TYR   2           HE2      TYR   2  16.579   2.281   8.610
  155    HH   TYR   2           HH       TYR   2  16.616   4.238  11.123
  156    H    GLU   3           H        GLU   3  13.217   6.791   7.331
  157    HA   GLU   3           HA       GLU   3  10.760   7.978   6.845
  158    HB2  GLU   3           HB2      GLU   3  11.566   9.814   8.340
  159    HB3  GLU   3           HB3      GLU   3  11.790   8.200   8.998
  160    HG2  GLU   3           HG2      GLU   3  14.163   8.564   7.764
  161    HG3  GLU   3           HG3      GLU   3  13.773  10.220   8.224
  162    H    ILE   4           H        ILE   4  13.995   9.100   5.907
  163    HA   ILE   4           HA       ILE   4  13.045  11.452   4.602
  164    HB   ILE   4           HB       ILE   4  15.277  11.779   3.832
  165   HG12  ILE   4          HG12      ILE   4  16.868   9.695   4.566
  166   HG13  ILE   4          HG13      ILE   4  15.409   8.840   4.078
  167   HG21  ILE   4          HG21      ILE   4  16.586  11.458   5.931
  168   HG22  ILE   4          HG22      ILE   4  15.019  12.229   6.164
  169   HG23  ILE   4          HG23      ILE   4  15.232  10.526   6.571
  170   HD11  ILE   4          HD11      ILE   4  16.059   9.012   1.976
  171   HD12  ILE   4          HD12      ILE   4  15.924  10.767   2.094
  172   HD13  ILE   4          HD13      ILE   4  17.456   9.973   2.459
  173    H    THR   5           H        THR   5  12.694   8.285   3.798
  174    HA   THR   5           HA       THR   5  12.889   8.759   0.905
  175    HB   THR   5           HB       THR   5  12.186   6.044   1.774
  176    HG1  THR   5           HG1      THR   5  14.667   7.226   2.529
  177   HG21  THR   5          HG21      THR   5  13.719   7.409  -0.298
  178   HG22  THR   5          HG22      THR   5  12.891   5.852  -0.345
  179   HG23  THR   5          HG23      THR   5  14.523   5.964   0.315
  180    H    THR   6           H        THR   6  10.658   8.367   3.477
  181    HA   THR   6           HA       THR   6   8.446   8.112   1.543
  182    HB   THR   6           HB       THR   6   8.257   6.176   2.827
  183    HG1  THR   6           HG1      THR   6   6.322   7.525   2.882
  184   HG21  THR   6          HG21      THR   6   9.662   6.109   4.589
  185   HG22  THR   6          HG22      THR   6   8.265   6.681   5.501
  186   HG23  THR   6          HG23      THR   6   9.475   7.829   4.929
  187    H    ILE   7           H        ILE   7   9.993  10.205   3.590
  188    HA   ILE   7           HA       ILE   7   7.535  11.758   4.072
  189    HB   ILE   7           HB       ILE   7  10.148  11.949   5.577
  190   HG12  ILE   7          HG12      ILE   7   7.505  10.780   6.474
  191   HG13  ILE   7          HG13      ILE   7   8.901   9.830   5.981
  192   HG21  ILE   7          HG21      ILE   7   9.364  13.960   6.142
  193   HG22  ILE   7          HG22      ILE   7   7.777  13.625   5.452
  194   HG23  ILE   7          HG23      ILE   7   8.153  13.100   7.093
  195   HD11  ILE   7          HD11      ILE   7   9.821  11.609   7.940
  196   HD12  ILE   7          HD12      ILE   7   8.290  10.960   8.529
  197   HD13  ILE   7          HD13      ILE   7   9.596   9.865   8.075
  198    H    HIS   8           H        HIS   8  10.397  11.615   2.303
  199    HA   HIS   8           HA       HIS   8  10.194  14.482   1.657
  200    HB2  HIS   8           HB2      HIS   8  12.468  12.996   2.584
  201    HB3  HIS   8           HB3      HIS   8  12.778  13.569   0.947
  202    HD1  HIS   8           HD1      HIS   8  14.010  14.603   3.784
  203    HD2  HIS   8           HD2      HIS   8  11.247  16.517   1.340
  204    HE1  HIS   8           HE1      HIS   8  14.194  17.048   4.346
  205    H    ASN   9           H        ASN   9   9.632  11.455   0.552
  206    HA   ASN   9           HA       ASN   9  10.581  11.819  -2.162
  207    HB2  ASN   9           HB2      ASN   9  10.690   9.576  -1.471
  208    HB3  ASN   9           HB3      ASN   9   9.094   9.632  -0.729
  209   HD21  ASN   9          HD21      ASN   9  10.545  10.213  -3.919
  210   HD22  ASN   9          HD22      ASN   9   9.350   9.339  -4.807
  211    H    LEU  10           H        LEU  10   7.371  11.190  -0.730
  212    HA   LEU  10           HA       LEU  10   6.214  12.905  -2.829
  213    HB2  LEU  10           HB2      LEU  10   4.438  11.453  -3.155
  214    HB3  LEU  10           HB3      LEU  10   5.823  10.375  -3.000
  215    HG   LEU  10           HG       LEU  10   4.832  10.580  -0.416
  216   HD11  LEU  10          HD11      LEU  10   2.564  10.560  -0.404
  217   HD12  LEU  10          HD12      LEU  10   2.448   9.868  -2.022
  218   HD13  LEU  10          HD13      LEU  10   2.805  11.584  -1.820
  219   HD21  LEU  10          HD21      LEU  10   3.984   8.245  -0.927
  220   HD22  LEU  10          HD22      LEU  10   5.691   8.549  -1.247
  221   HD23  LEU  10          HD23      LEU  10   4.536   8.514  -2.580
  222    H    PHE  11           H        PHE  11   6.794  12.621   0.388
  223    HA   PHE  11           HA       PHE  11   4.272  13.585   1.398
  224    HB2  PHE  11           HB2      PHE  11   6.859  12.750   2.528
  225    HB3  PHE  11           HB3      PHE  11   6.067  14.054   3.406
  226    HD1  PHE  11           HD1      PHE  11   5.689  12.728   5.375
  227    HD2  PHE  11           HD2      PHE  11   4.163  11.509   1.592
  228    HE1  PHE  11           HE1      PHE  11   4.235  11.087   6.493
  229    HE2  PHE  11           HE2      PHE  11   2.706   9.867   2.705
  230    HZ   PHE  11           HZ       PHE  11   2.740   9.656   5.159
  231    H    ARG  12           H        ARG  12   6.605  15.011  -0.389
  232    HA   ARG  12           HA       ARG  12   7.033  17.468   0.951
  233    HB2  ARG  12           HB2      ARG  12   7.097  17.013  -2.033
  234    HB3  ARG  12           HB3      ARG  12   7.938  18.263  -1.125
  235    HG2  ARG  12           HG2      ARG  12   8.791  15.855  -0.009
  236    HG3  ARG  12           HG3      ARG  12   8.766  15.582  -1.753
  237    HD2  ARG  12           HD2      ARG  12  10.017  18.032  -0.554
  238    HD3  ARG  12           HD3      ARG  12  10.912  16.521  -0.714
  239    HE   ARG  12           HE       ARG  12   9.761  17.147  -3.190
  240   HH11  ARG  12          HH11      ARG  12  12.225  18.316  -1.025
  241   HH12  ARG  12          HH12      ARG  12  13.189  19.007  -2.288
  242   HH21  ARG  12          HH21      ARG  12  11.022  18.053  -4.860
  243   HH22  ARG  12          HH22      ARG  12  12.504  18.857  -4.468
  244    H    LYS  13           H        LYS  13   4.287  16.182  -0.491
  245    HA   LYS  13           HA       LYS  13   3.133  18.854  -0.941
  246    HB2  LYS  13           HB2      LYS  13   2.829  16.267  -2.310
  247    HB3  LYS  13           HB3      LYS  13   1.316  17.112  -2.010
  248    HG2  LYS  13           HG2      LYS  13   1.751  18.133  -3.948
  249    HG3  LYS  13           HG3      LYS  13   2.861  19.119  -2.991
  250    HD2  LYS  13           HD2      LYS  13   3.960  16.561  -3.941
  251    HD3  LYS  13           HD3      LYS  13   3.569  17.726  -5.209
  252    HE2  LYS  13           HE2      LYS  13   4.947  18.920  -2.934
  253    HE3  LYS  13           HE3      LYS  13   5.888  17.659  -3.729
  254    HZ1  LYS  13           HZ1      LYS  13   4.581  19.623  -5.444
  255    HZ2  LYS  13           HZ2      LYS  13   6.082  18.864  -5.619
  256    HZ3  LYS  13           HZ3      LYS  13   5.909  20.158  -4.544
  257    H    LEU  14           H        LEU  14   1.677  15.689  -0.232
  258    HA   LEU  14           HA       LEU  14   0.331  16.928   2.077
  259    HB2  LEU  14           HB2      LEU  14  -0.706  15.272  -0.143
  260    HB3  LEU  14           HB3      LEU  14  -1.354  14.938   1.461
  261    HG   LEU  14           HG       LEU  14  -1.696  17.586   1.425
  262   HD11  LEU  14          HD11      LEU  14  -0.792  18.036  -0.721
  263   HD12  LEU  14          HD12      LEU  14  -2.544  18.177  -0.863
  264   HD13  LEU  14          HD13      LEU  14  -1.725  16.735  -1.461
  265   HD21  LEU  14          HD21      LEU  14  -3.299  15.286   1.095
  266   HD22  LEU  14          HD22      LEU  14  -3.871  16.490  -0.060
  267   HD23  LEU  14          HD23      LEU  14  -3.786  16.885   1.657
  268    H    THR  15           H        THR  15   0.886  16.058   3.952
  269    HA   THR  15           HA       THR  15   1.744  13.237   3.998
  270    HB   THR  15           HB       THR  15   3.687  14.503   4.481
  271    HG1  THR  15           HG1      THR  15   2.662  13.925   7.066
  272   HG21  THR  15          HG21      THR  15   1.850  16.175   6.161
  273   HG22  THR  15          HG22      THR  15   2.969  16.681   4.895
  274   HG23  THR  15          HG23      THR  15   3.587  16.162   6.464
  275    H    HIS  16           H        HIS  16   0.576  11.920   5.233
  276    HA   HIS  16           HA       HIS  16  -1.065  13.097   7.378
  277    HB2  HIS  16           HB2      HIS  16  -2.494  12.442   5.507
  278    HB3  HIS  16           HB3      HIS  16  -1.803  10.822   5.525
  279    HD1  HIS  16           HD1      HIS  16  -3.491   9.273   6.435
  280    HD2  HIS  16           HD2      HIS  16  -3.488  12.901   8.458
  281    HE1  HIS  16           HE1      HIS  16  -5.198   9.025   8.263
  282    H    ARG  17           H        ARG  17  -1.129   9.706   6.734
  283    HA   ARG  17           HA       ARG  17   0.641   9.221   9.038
  284    HB2  ARG  17           HB2      ARG  17  -1.919   7.753   8.379
  285    HB3  ARG  17           HB3      ARG  17  -0.831   7.372   9.708
  286    HG2  ARG  17           HG2      ARG  17  -2.277   9.994   9.401
  287    HG3  ARG  17           HG3      ARG  17  -2.849   8.642  10.382
  288    HD2  ARG  17           HD2      ARG  17  -0.973   8.796  11.834
  289    HD3  ARG  17           HD3      ARG  17  -0.152   9.922  10.756
  290    HE   ARG  17           HE       ARG  17  -1.358  11.631  11.683
  291   HH11  ARG  17          HH11      ARG  17  -2.857   8.601  12.509
  292   HH12  ARG  17          HH12      ARG  17  -3.988   9.311  13.612
  293   HH21  ARG  17          HH21      ARG  17  -2.842  12.579  13.131
  294   HH22  ARG  17          HH22      ARG  17  -3.979  11.575  13.964
  295    H    LEU  18           H        LEU  18   0.164   8.741   5.807
  296    HA   LEU  18           HA       LEU  18   0.705   6.101   5.260
  297    HB2  LEU  18           HB2      LEU  18   1.744   8.552   3.848
  298    HB3  LEU  18           HB3      LEU  18   1.817   6.917   3.194
  299    HG   LEU  18           HG       LEU  18  -0.738   8.382   3.853
  300   HD11  LEU  18          HD11      LEU  18  -0.993   8.743   1.488
  301   HD12  LEU  18          HD12      LEU  18   0.525   7.909   1.159
  302   HD13  LEU  18          HD13      LEU  18   0.534   9.447   2.020
  303   HD21  LEU  18          HD21      LEU  18  -1.152   6.068   3.949
  304   HD22  LEU  18          HD22      LEU  18  -0.118   5.741   2.558
  305   HD23  LEU  18          HD23      LEU  18  -1.661   6.565   2.335
  306    H    PHE  19           H        PHE  19   2.784   8.464   6.672
  307    HA   PHE  19           HA       PHE  19   5.313   7.589   6.060
  308    HB2  PHE  19           HB2      PHE  19   5.083   9.538   7.404
  309    HB3  PHE  19           HB3      PHE  19   4.194   8.665   8.647
  310    HD1  PHE  19           HD1      PHE  19   7.298   7.559   6.968
  311    HD2  PHE  19           HD2      PHE  19   5.533   9.091  10.524
  312    HE1  PHE  19           HE1      PHE  19   9.401   7.156   8.181
  313    HE2  PHE  19           HE2      PHE  19   7.632   8.692  11.743
  314    HZ   PHE  19           HZ       PHE  19   9.570   7.725  10.571
  315    H    ARG  20           H        ARG  20   3.526   6.564   8.976
  316    HA   ARG  20           HA       ARG  20   5.121   4.097   8.989
  317    HB2  ARG  20           HB2      ARG  20   3.640   5.589  11.142
  318    HB3  ARG  20           HB3      ARG  20   4.135   3.915  11.361
  319    HG2  ARG  20           HG2      ARG  20   5.977   6.220  10.764
  320    HG3  ARG  20           HG3      ARG  20   5.732   5.475  12.345
  321    HD2  ARG  20           HD2      ARG  20   6.478   3.305  11.326
  322    HD3  ARG  20           HD3      ARG  20   6.919   4.214   9.881
  323    HE   ARG  20           HE       ARG  20   8.098   5.254  12.281
  324   HH11  ARG  20          HH11      ARG  20   8.414   2.893   9.742
  325   HH12  ARG  20          HH12      ARG  20  10.132   2.755   9.906
  326   HH21  ARG  20          HH21      ARG  20  10.361   5.080  12.507
  327   HH22  ARG  20          HH22      ARG  20  11.239   3.997  11.481
  328    H    ARG  21           H        ARG  21   1.856   5.342   8.873
  329    HA   ARG  21           HA       ARG  21   0.485   2.921   9.339
  330    HB2  ARG  21           HB2      ARG  21  -0.316   5.462   9.131
  331    HB3  ARG  21           HB3      ARG  21  -0.695   4.935   7.496
  332    HG2  ARG  21           HG2      ARG  21  -2.613   4.146   8.268
  333    HG3  ARG  21           HG3      ARG  21  -1.697   2.935   9.166
  334    HD2  ARG  21           HD2      ARG  21  -1.426   5.017  10.831
  335    HD3  ARG  21           HD3      ARG  21  -2.973   5.435  10.097
  336    HE   ARG  21           HE       ARG  21  -2.809   2.715  11.022
  337   HH11  ARG  21          HH11      ARG  21  -3.564   6.003  11.880
  338   HH12  ARG  21          HH12      ARG  21  -4.601   5.559  13.196
  339   HH21  ARG  21          HH21      ARG  21  -4.170   2.117  12.752
  340   HH22  ARG  21          HH22      ARG  21  -4.944   3.349  13.692
  341    H    ASN  22           H        ASN  22   2.360   3.957   6.715
  342    HA   ASN  22           HA       ASN  22   1.230   1.823   5.026
  343    HB2  ASN  22           HB2      ASN  22   1.028   4.375   4.326
  344    HB3  ASN  22           HB3      ASN  22   2.679   4.112   3.774
  345   HD21  ASN  22          HD21      ASN  22   3.063   2.517   2.173
  346   HD22  ASN  22          HD22      ASN  22   1.807   2.036   1.091
  347    H    PHE  23           H        PHE  23   4.172   3.824   5.313
  348    HA   PHE  23           HA       PHE  23   5.792   1.568   4.448
  349    HB2  PHE  23           HB2      PHE  23   6.481   4.447   5.058
  350    HB3  PHE  23           HB3      PHE  23   7.667   3.240   4.570
  351    HD1  PHE  23           HD1      PHE  23   7.444   2.163   2.315
  352    HD2  PHE  23           HD2      PHE  23   5.156   5.559   3.476
  353    HE1  PHE  23           HE1      PHE  23   6.957   2.638  -0.049
  354    HE2  PHE  23           HE2      PHE  23   4.665   6.040   1.114
  355    HZ   PHE  23           HZ       PHE  23   5.565   4.578  -0.653
  356    H    GLY  24           H        GLY  24   4.408   2.029   7.204
  357    HA2  GLY  24           HA2      GLY  24   6.810   1.592   8.863
  358    HA3  GLY  24           HA3      GLY  24   5.280   2.212   9.465
  359    H    TYR  25           H        TYR  25   3.966   0.104   7.650
  360    HA   TYR  25           HA       TYR  25   3.785  -1.907   9.702
  361    HB2  TYR  25           HB2      TYR  25   2.235  -1.088   7.392
  362    HB3  TYR  25           HB3      TYR  25   2.411  -2.837   7.454
  363    HD1  TYR  25           HD1      TYR  25   0.994   0.106   9.099
  364    HD2  TYR  25           HD2      TYR  25   1.448  -4.120   9.289
  365    HE1  TYR  25           HE1      TYR  25  -0.791  -0.004  10.788
  366    HE2  TYR  25           HE2      TYR  25  -0.336  -4.242  10.978
  367    HH   TYR  25           HH       TYR  25  -1.507  -1.538  12.611
  368    H    THR  26           H        THR  26   5.748  -1.409   7.005
  369    HA   THR  26           HA       THR  26   6.245  -4.260   6.577
  370    HB   THR  26           HB       THR  26   6.805  -1.792   5.025
  371    HG1  THR  26           HG1      THR  26   5.562  -2.880   3.712
  372   HG21  THR  26          HG21      THR  26   9.060  -2.608   5.312
  373   HG22  THR  26          HG22      THR  26   8.520  -2.981   3.675
  374   HG23  THR  26          HG23      THR  26   8.557  -4.247   4.902
  375    H    LEU  27           H        LEU  27   8.129  -1.300   7.220
  376    HA   LEU  27           HA       LEU  27  10.505  -2.733   7.876
  377    HB2  LEU  27           HB2      LEU  27   9.893  -0.129   7.269
  378    HB3  LEU  27           HB3      LEU  27  10.262  -0.042   8.990
  379    HG   LEU  27           HG       LEU  27  12.080  -0.985   6.777
  380   HD11  LEU  27          HD11      LEU  27  12.234   1.302   6.744
  381   HD12  LEU  27          HD12      LEU  27  13.466   0.907   7.940
  382   HD13  LEU  27          HD13      LEU  27  11.877   1.463   8.463
  383   HD21  LEU  27          HD21      LEU  27  12.385  -2.399   8.733
  384   HD22  LEU  27          HD22      LEU  27  12.542  -0.972   9.758
  385   HD23  LEU  27          HD23      LEU  27  13.760  -1.313   8.529
  386    H    ARG  28           H        ARG  28   7.678  -2.613   9.476
  387    HA   ARG  28           HA       ARG  28   8.253  -1.966  12.113
  388    HB2  ARG  28           HB2      ARG  28   5.987  -2.415  11.375
  389    HB3  ARG  28           HB3      ARG  28   6.397  -4.088  11.026
  390    HG2  ARG  28           HG2      ARG  28   6.791  -4.494  13.400
  391    HG3  ARG  28           HG3      ARG  28   6.393  -2.812  13.753
  392    HD2  ARG  28           HD2      ARG  28   4.163  -3.127  13.423
  393    HD3  ARG  28           HD3      ARG  28   4.410  -4.385  12.212
  394    HE   ARG  28           HE       ARG  28   4.142  -4.739  15.058
  395   HH11  ARG  28          HH11      ARG  28   5.319  -6.111  12.083
  396   HH12  ARG  28          HH12      ARG  28   5.277  -7.742  12.667
  397   HH21  ARG  28          HH21      ARG  28   4.082  -6.882  15.838
  398   HH22  ARG  28          HH22      ARG  28   4.573  -8.179  14.802
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1  -0.696   3.026  -2.147
    2    HA   VAL   1           HA       VAL   1   0.433   4.395  -4.455
    3    HB   VAL   1           HB       VAL   1   0.806   6.476  -3.051
    4   HG11  VAL   1          HG11      VAL   1  -1.166   5.821  -4.806
    5   HG12  VAL   1          HG12      VAL   1  -2.101   6.362  -3.410
    6   HG13  VAL   1          HG13      VAL   1  -0.905   7.433  -4.142
    7   HG21  VAL   1          HG21      VAL   1  -0.030   5.114  -0.962
    8   HG22  VAL   1          HG22      VAL   1  -0.330   6.847  -1.093
    9   HG23  VAL   1          HG23      VAL   1  -1.608   5.700  -1.488
   10    H    ALA   2           H        ALA   2   1.828   2.465  -3.930
   11    HA   ALA   2           HA       ALA   2   3.826   3.203  -1.890
   12    HB1  ALA   2           HB1      ALA   2   2.487   1.117  -1.422
   13    HB2  ALA   2           HB2      ALA   2   3.283   0.394  -2.821
   14    HB3  ALA   2           HB3      ALA   2   4.240   0.917  -1.436
   15    H    ARG   3           H        ARG   3   4.687   4.487  -3.748
   16    HA   ARG   3           HA       ARG   3   6.350   2.789  -5.491
   17    HB2  ARG   3           HB2      ARG   3   5.899   5.563  -6.362
   18    HB3  ARG   3           HB3      ARG   3   5.886   4.071  -7.294
   19    HG2  ARG   3           HG2      ARG   3   3.630   3.586  -6.483
   20    HG3  ARG   3           HG3      ARG   3   3.645   5.091  -5.561
   21    HD2  ARG   3           HD2      ARG   3   2.928   6.190  -7.350
   22    HD3  ARG   3           HD3      ARG   3   4.379   5.705  -8.228
   23    HE   ARG   3           HE       ARG   3   2.754   3.535  -8.410
   24   HH11  ARG   3          HH11      ARG   3   2.381   6.916  -9.153
   25   HH12  ARG   3          HH12      ARG   3   1.259   6.643 -10.444
   26   HH21  ARG   3          HH21      ARG   3   1.277   3.162 -10.107
   27   HH22  ARG   3          HH22      ARG   3   0.630   4.507 -10.985
   28    H    GLY   4           H        GLY   4   6.301   5.108  -3.029
   29    HA2  GLY   4           HA2      GLY   4   8.801   6.389  -3.640
   30    HA3  GLY   4           HA3      GLY   4   7.904   6.513  -2.133
   31    H    TRP   5           H        TRP   5   7.970   3.377  -2.329
   32    HA   TRP   5           HA       TRP   5  10.657   3.118  -1.143
   33    HB2  TRP   5           HB2      TRP   5   7.997   2.088  -0.256
   34    HB3  TRP   5           HB3      TRP   5   9.425   1.105   0.065
   35    HD1  TRP   5           HD1      TRP   5   9.677   4.910   0.240
   36    HE1  TRP   5           HE1      TRP   5  10.082   5.601   2.687
   37    HE3  TRP   5           HE3      TRP   5   8.998   0.369   2.490
   38    HZ2  TRP   5           HZ2      TRP   5  10.110   4.382   5.233
   39    HZ3  TRP   5           HZ3      TRP   5   9.232   0.217   4.934
   40    HH2  TRP   5           HH2      TRP   5   9.777   2.183   6.275
   41    H    LYS   6           H        LYS   6   8.401   1.949  -3.447
   42    HA   LYS   6           HA       LYS   6   9.771  -0.577  -3.851
   43    HB2  LYS   6           HB2      LYS   6   7.435  -0.723  -4.155
   44    HB3  LYS   6           HB3      LYS   6   7.386   0.739  -5.130
   45    HG2  LYS   6           HG2      LYS   6   9.061  -1.352  -6.276
   46    HG3  LYS   6           HG3      LYS   6   7.372  -1.826  -6.083
   47    HD2  LYS   6           HD2      LYS   6   7.556   0.853  -7.120
   48    HD3  LYS   6           HD3      LYS   6   8.483  -0.263  -8.125
   49    HE2  LYS   6           HE2      LYS   6   6.615  -1.548  -8.637
   50    HE3  LYS   6           HE3      LYS   6   5.707  -0.957  -7.246
   51    HZ1  LYS   6           HZ1      LYS   6   6.178   0.344  -9.839
   52    HZ2  LYS   6           HZ2      LYS   6   5.896   1.299  -8.472
   53    HZ3  LYS   6           HZ3      LYS   6   4.736   0.175  -8.973
   54    H    ARG   7           H        ARG   7   9.421   2.542  -5.459
   55    HA   ARG   7           HA       ARG   7  11.044   1.744  -7.709
   56    HB2  ARG   7           HB2      ARG   7  10.230   4.551  -6.960
   57    HB3  ARG   7           HB3      ARG   7  10.692   3.951  -8.547
   58    HG2  ARG   7           HG2      ARG   7   8.236   3.047  -7.064
   59    HG3  ARG   7           HG3      ARG   7   8.253   4.351  -8.253
   60    HD2  ARG   7           HD2      ARG   7   9.142   1.521  -8.799
   61    HD3  ARG   7           HD3      ARG   7   7.538   2.152  -9.173
   62    HE   ARG   7           HE       ARG   7   9.364   3.853 -10.375
   63   HH11  ARG   7          HH11      ARG   7   8.440   0.502 -10.582
   64   HH12  ARG   7          HH12      ARG   7   8.856   0.356 -12.258
   65   HH21  ARG   7          HH21      ARG   7   9.916   3.673 -12.581
   66   HH22  ARG   7          HH22      ARG   7   9.697   2.160 -13.393
   67    H    LYS   8           H        LYS   8  11.589   2.952  -4.574
   68    HA   LYS   8           HA       LYS   8  14.090   4.265  -5.166
   69    HB2  LYS   8           HB2      LYS   8  12.498   3.702  -2.704
   70    HB3  LYS   8           HB3      LYS   8  14.212   4.061  -2.528
   71    HG2  LYS   8           HG2      LYS   8  12.774   6.043  -2.270
   72    HG3  LYS   8           HG3      LYS   8  13.927   6.196  -3.598
   73    HD2  LYS   8           HD2      LYS   8  12.270   5.910  -5.223
   74    HD3  LYS   8           HD3      LYS   8  11.132   5.211  -4.069
   75    HE2  LYS   8           HE2      LYS   8  10.600   7.273  -3.152
   76    HE3  LYS   8           HE3      LYS   8  12.091   8.023  -3.720
   77    HZ1  LYS   8           HZ1      LYS   8  11.268   8.201  -5.874
   78    HZ2  LYS   8           HZ2      LYS   8   9.940   8.616  -4.912
   79    HZ3  LYS   8           HZ3      LYS   8  10.029   7.079  -5.614
   80    H    CYS   9           H        CYS   9  15.758   3.049  -5.786
   81    HA   CYS   9           HA       CYS   9  16.110   0.375  -4.676
   82    HB2  CYS   9           HB2      CYS   9  16.909   1.750  -7.125
   83    HB3  CYS   9           HB3      CYS   9  18.223   0.828  -6.406
   84    HG   CYS   9           HG       CYS   9  16.980  -0.704  -8.408
   85    HA   PRO  10           HA       PRO  10  20.351   2.318  -3.500
   86    HB2  PRO  10           HB2      PRO  10  20.754   4.942  -4.068
   87    HB3  PRO  10           HB3      PRO  10  21.131   3.644  -5.206
   88    HG2  PRO  10           HG2      PRO  10  18.730   5.427  -5.095
   89    HG3  PRO  10           HG3      PRO  10  19.675   4.910  -6.504
   90    HD2  PRO  10           HD2      PRO  10  17.312   3.769  -5.837
   91    HD3  PRO  10           HD3      PRO  10  18.625   2.861  -6.614
   92    H    LEU  11           H        LEU  11  17.342   3.890  -3.068
   93    HA   LEU  11           HA       LEU  11  18.153   5.432  -0.760
   94    HB2  LEU  11           HB2      LEU  11  15.799   5.202  -2.455
   95    HB3  LEU  11           HB3      LEU  11  15.394   5.323  -0.744
   96    HG   LEU  11           HG       LEU  11  16.957   7.311  -2.389
   97   HD11  LEU  11          HD11      LEU  11  14.798   7.829  -2.873
   98   HD12  LEU  11          HD12      LEU  11  14.955   8.708  -1.352
   99   HD13  LEU  11          HD13      LEU  11  14.174   7.127  -1.380
  100   HD21  LEU  11          HD21      LEU  11  17.909   8.007  -0.511
  101   HD22  LEU  11          HD22      LEU  11  17.048   6.785   0.424
  102   HD23  LEU  11          HD23      LEU  11  16.307   8.361   0.138
  103    H    PHE  12           H        PHE  12  15.423   3.177  -1.024
  104    HA   PHE  12           HA       PHE  12  16.285   1.979   1.527
  105    HB2  PHE  12           HB2      PHE  12  14.128   3.421   1.452
  106    HB3  PHE  12           HB3      PHE  12  13.419   2.037   0.626
  107    HD1  PHE  12           HD1      PHE  12  12.020   0.914   2.054
  108    HD2  PHE  12           HD2      PHE  12  15.752   2.344   3.521
  109    HE1  PHE  12           HE1      PHE  12  11.572  -0.153   4.225
  110    HE2  PHE  12           HE2      PHE  12  15.309   1.278   5.694
  111    HZ   PHE  12           HZ       PHE  12  13.218   0.027   6.049
  112    H    GLY  13           H        GLY  13  15.657   1.442  -1.741
  113    HA2  GLY  13           HA2      GLY  13  14.644  -1.197  -1.686
  114    HA3  GLY  13           HA3      GLY  13  15.490  -0.449  -3.033
  115    H    LYS  14           H        LYS  14  17.449  -1.194  -3.539
  116    HA   LYS  14           HA       LYS  14  18.547  -3.391  -2.071
  117    HB2  LYS  14           HB2      LYS  14  20.027  -1.937  -4.237
  118    HB3  LYS  14           HB3      LYS  14  20.041  -3.652  -3.846
  119    HG2  LYS  14           HG2      LYS  14  17.811  -2.118  -5.162
  120    HG3  LYS  14           HG3      LYS  14  18.870  -3.314  -5.914
  121    HD2  LYS  14           HD2      LYS  14  17.941  -4.849  -3.981
  122    HD3  LYS  14           HD3      LYS  14  16.602  -3.700  -4.021
  123    HE2  LYS  14           HE2      LYS  14  15.906  -5.312  -5.524
  124    HE3  LYS  14           HE3      LYS  14  16.656  -4.117  -6.581
  125    HZ1  LYS  14           HZ1      LYS  14  18.751  -5.600  -6.165
  126    HZ2  LYS  14           HZ2      LYS  14  17.615  -6.023  -7.345
  127    HZ3  LYS  14           HZ3      LYS  14  17.595  -6.791  -5.837
  128    H    GLY  15           H        GLY  15  18.917  -0.005  -1.935
  129    HA2  GLY  15           HA2      GLY  15  21.567  -0.170  -0.702
  130    HA3  GLY  15           HA3      GLY  15  20.722   1.305  -1.147
  131    H    GLY  16           H        GLY  16  19.738  -1.470   0.859
  132    HA2  GLY  16           HA2      GLY  16  18.613   0.298   2.832
  133    HA3  GLY  16           HA3      GLY  16  18.664  -1.457   2.908
  134    H1   LYS   1           H        LYS   1  16.761   7.489   5.244
  135    HA   LYS   1           HA       LYS   1  17.321   4.692   5.985
  136    HB2  LYS   1           HB2      LYS   1  15.957   6.869   7.569
  137    HB3  LYS   1           HB3      LYS   1  15.855   5.167   8.000
  138    HG2  LYS   1           HG2      LYS   1  18.579   5.685   7.658
  139    HG3  LYS   1           HG3      LYS   1  17.936   7.069   8.543
  140    HD2  LYS   1           HD2      LYS   1  16.774   5.295  10.017
  141    HD3  LYS   1           HD3      LYS   1  17.933   4.169   9.308
  142    HE2  LYS   1           HE2      LYS   1  19.716   5.877  10.010
  143    HE3  LYS   1           HE3      LYS   1  18.455   6.575  11.025
  144    HZ1  LYS   1           HZ1      LYS   1  18.956   5.059  12.539
  145    HZ2  LYS   1           HZ2      LYS   1  20.051   4.294  11.501
  146    HZ3  LYS   1           HZ3      LYS   1  18.420   3.845  11.488
  147    H    TYR   2           H        TYR   2  14.338   5.901   7.017
  148    HA   TYR   2           HA       TYR   2  12.973   4.683   4.707
  149    HB2  TYR   2           HB2      TYR   2  11.211   4.417   6.822
  150    HB3  TYR   2           HB3      TYR   2  12.221   3.140   6.153
  151    HD1  TYR   2           HD1      TYR   2  14.300   2.482   7.277
  152    HD2  TYR   2           HD2      TYR   2  11.724   5.427   8.947
  153    HE1  TYR   2           HE1      TYR   2  15.450   2.252   9.439
  154    HE2  TYR   2           HE2      TYR   2  12.867   5.207  11.114
  155    HH   TYR   2           HH       TYR   2  14.828   2.674  11.907
  156    H    GLU   3           H        GLU   3  12.520   6.897   7.459
  157    HA   GLU   3           HA       GLU   3  10.173   8.116   6.627
  158    HB2  GLU   3           HB2      GLU   3  10.882  10.044   8.015
  159    HB3  GLU   3           HB3      GLU   3  11.065   8.501   8.838
  160    HG2  GLU   3           HG2      GLU   3  13.516   8.737   7.777
  161    HG3  GLU   3           HG3      GLU   3  13.104  10.440   7.964
  162    H    ILE   4           H        ILE   4  13.526   8.967   5.852
  163    HA   ILE   4           HA       ILE   4  12.792  11.206   4.224
  164    HB   ILE   4           HB       ILE   4  15.086  11.444   3.711
  165   HG12  ILE   4          HG12      ILE   4  16.532   9.345   4.715
  166   HG13  ILE   4          HG13      ILE   4  15.115   8.524   4.071
  167   HG21  ILE   4          HG21      ILE   4  16.188  11.263   5.917
  168   HG22  ILE   4          HG22      ILE   4  14.583  11.987   6.003
  169   HG23  ILE   4          HG23      ILE   4  14.820  10.308   6.490
  170   HD11  ILE   4          HD11      ILE   4  15.822  10.284   2.067
  171   HD12  ILE   4          HD12      ILE   4  17.364   9.697   2.689
  172   HD13  ILE   4          HD13      ILE   4  16.152   8.553   2.115
  173    H    THR   5           H        THR   5  12.252   8.057   3.733
  174    HA   THR   5           HA       THR   5  12.864   8.128   0.858
  175    HB   THR   5           HB       THR   5  12.089   5.742   2.547
  176    HG1  THR   5           HG1      THR   5  14.149   6.350   3.130
  177   HG21  THR   5          HG21      THR   5  11.540   5.681   0.080
  178   HG22  THR   5          HG22      THR   5  12.605   4.399   0.657
  179   HG23  THR   5          HG23      THR   5  13.275   5.773  -0.223
  180    H    THR   6           H        THR   6  10.298   8.063   3.177
  181    HA   THR   6           HA       THR   6   8.334   7.861   0.985
  182    HB   THR   6           HB       THR   6   7.845   6.008   2.307
  183    HG1  THR   6           HG1      THR   6   6.241   7.820   3.740
  184   HG21  THR   6          HG21      THR   6   9.028   5.933   4.228
  185   HG22  THR   6          HG22      THR   6   7.570   6.623   4.940
  186   HG23  THR   6          HG23      THR   6   8.911   7.673   4.485
  187    H    ILE   7           H        ILE   7   9.737   9.925   3.186
  188    HA   ILE   7           HA       ILE   7   7.400  11.722   3.114
  189    HB   ILE   7           HB       ILE   7   9.515  11.831   5.252
  190   HG12  ILE   7          HG12      ILE   7   6.873  10.358   5.341
  191   HG13  ILE   7          HG13      ILE   7   8.468   9.615   5.349
  192   HG21  ILE   7          HG21      ILE   7   7.339  13.477   4.527
  193   HG22  ILE   7          HG22      ILE   7   6.919  12.697   6.052
  194   HG23  ILE   7          HG23      ILE   7   8.407  13.633   5.921
  195   HD11  ILE   7          HD11      ILE   7   6.926  10.419   7.545
  196   HD12  ILE   7          HD12      ILE   7   8.573   9.788   7.548
  197   HD13  ILE   7          HD13      ILE   7   8.295  11.528   7.464
  198    H    HIS   8           H        HIS   8  10.265  11.225   1.731
  199    HA   HIS   8           HA       HIS   8  10.912  14.097   1.583
  200    HB2  HIS   8           HB2      HIS   8  12.598  12.160   2.460
  201    HB3  HIS   8           HB3      HIS   8  12.978  12.158   0.741
  202    HD1  HIS   8           HD1      HIS   8  12.228  15.135   2.981
  203    HD2  HIS   8           HD2      HIS   8  15.288  13.579   0.642
  204    HE1  HIS   8           HE1      HIS   8  14.042  16.877   2.999
  205    H    ASN   9           H        ASN   9   9.970  11.287  -0.121
  206    HA   ASN   9           HA       ASN   9  10.899  12.007  -2.708
  207    HB2  ASN   9           HB2      ASN   9   9.011  10.370  -3.414
  208    HB3  ASN   9           HB3      ASN   9  10.378   9.740  -2.498
  209   HD21  ASN   9          HD21      ASN   9   7.088   9.801  -2.730
  210   HD22  ASN   9          HD22      ASN   9   6.684   9.289  -1.129
  211    H    LEU  10           H        LEU  10   7.560  11.970  -1.444
  212    HA   LEU  10           HA       LEU  10   7.018  14.359  -3.080
  213    HB2  LEU  10           HB2      LEU  10   4.995  13.521  -3.832
  214    HB3  LEU  10           HB3      LEU  10   6.068  12.126  -3.919
  215    HG   LEU  10           HG       LEU  10   4.921  11.917  -1.408
  216   HD11  LEU  10          HD11      LEU  10   2.835  12.786  -3.405
  217   HD12  LEU  10          HD12      LEU  10   3.301  13.647  -1.938
  218   HD13  LEU  10          HD13      LEU  10   2.510  12.074  -1.824
  219   HD21  LEU  10          HD21      LEU  10   5.358  10.303  -3.475
  220   HD22  LEU  10          HD22      LEU  10   3.623  10.540  -3.690
  221   HD23  LEU  10          HD23      LEU  10   4.243   9.888  -2.173
  222    H    PHE  11           H        PHE  11   7.233  13.161  -0.037
  223    HA   PHE  11           HA       PHE  11   5.144  14.966   0.993
  224    HB2  PHE  11           HB2      PHE  11   6.002  12.270   1.792
  225    HB3  PHE  11           HB3      PHE  11   5.817  13.396   3.133
  226    HD1  PHE  11           HD1      PHE  11   3.944  12.289   4.115
  227    HD2  PHE  11           HD2      PHE  11   3.811  13.592   0.066
  228    HE1  PHE  11           HE1      PHE  11   1.511  11.928   4.083
  229    HE2  PHE  11           HE2      PHE  11   1.377  13.234   0.027
  230    HZ   PHE  11           HZ       PHE  11   0.224  12.402   2.038
  231    H    ARG  12           H        ARG  12   7.969  15.534   0.193
  232    HA   ARG  12           HA       ARG  12   9.729  15.846   2.269
  233    HB2  ARG  12           HB2      ARG  12  10.597  17.838   1.041
  234    HB3  ARG  12           HB3      ARG  12  10.374  16.418   0.027
  235    HG2  ARG  12           HG2      ARG  12   8.112  17.429  -0.588
  236    HG3  ARG  12           HG3      ARG  12   8.726  18.919   0.134
  237    HD2  ARG  12           HD2      ARG  12   9.678  19.372  -1.825
  238    HD3  ARG  12           HD3      ARG  12  10.777  18.027  -1.524
  239    HE   ARG  12           HE       ARG  12   9.709  16.867  -3.168
  240   HH11  ARG  12          HH11      ARG  12   7.593  19.391  -2.039
  241   HH12  ARG  12          HH12      ARG  12   6.373  19.080  -3.229
  242   HH21  ARG  12          HH21      ARG  12   8.110  16.448  -4.739
  243   HH22  ARG  12          HH22      ARG  12   6.668  17.405  -4.764
  244    H    LYS  13           H        LYS  13   6.905  17.798   1.516
  245    HA   LYS  13           HA       LYS  13   7.335  19.276   4.031
  246    HB2  LYS  13           HB2      LYS  13   6.087  20.222   1.448
  247    HB3  LYS  13           HB3      LYS  13   5.979  21.111   2.962
  248    HG2  LYS  13           HG2      LYS  13   8.232  21.640   2.964
  249    HG3  LYS  13           HG3      LYS  13   8.644  20.325   1.861
  250    HD2  LYS  13           HD2      LYS  13   8.568  21.790   0.188
  251    HD3  LYS  13           HD3      LYS  13   6.832  21.947   0.469
  252    HE2  LYS  13           HE2      LYS  13   7.665  23.596   2.366
  253    HE3  LYS  13           HE3      LYS  13   9.070  23.717   1.308
  254    HZ1  LYS  13           HZ1      LYS  13   6.252  24.277   0.557
  255    HZ2  LYS  13           HZ2      LYS  13   7.560  24.309  -0.514
  256    HZ3  LYS  13           HZ3      LYS  13   7.483  25.420   0.761
  257    H    LEU  14           H        LEU  14   5.733  16.776   3.052
  258    HA   LEU  14           HA       LEU  14   3.206  17.570   4.344
  259    HB2  LEU  14           HB2      LEU  14   3.737  15.980   1.903
  260    HB3  LEU  14           HB3      LEU  14   2.431  15.426   2.951
  261    HG   LEU  14           HG       LEU  14   1.691  16.865   1.061
  262   HD11  LEU  14          HD11      LEU  14   0.007  17.030   2.517
  263   HD12  LEU  14          HD12      LEU  14   0.665  18.621   2.898
  264   HD13  LEU  14          HD13      LEU  14   1.094  17.229   3.892
  265   HD21  LEU  14          HD21      LEU  14   3.824  18.356   1.413
  266   HD22  LEU  14          HD22      LEU  14   2.762  19.238   2.510
  267   HD23  LEU  14          HD23      LEU  14   2.320  19.055   0.812
  268    H    THR  15           H        THR  15   2.922  16.631   6.244
  269    HA   THR  15           HA       THR  15   4.082  13.956   6.684
  270    HB   THR  15           HB       THR  15   3.885  14.914   9.211
  271    HG1  THR  15           HG1      THR  15   4.759  17.129   7.647
  272   HG21  THR  15          HG21      THR  15   6.027  14.610   7.233
  273   HG22  THR  15          HG22      THR  15   5.942  14.058   8.906
  274   HG23  THR  15          HG23      THR  15   6.413  15.719   8.549
  275    H    HIS  16           H        HIS  16   2.376  12.619   6.529
  276    HA   HIS  16           HA       HIS  16  -0.064  13.313   8.026
  277    HB2  HIS  16           HB2      HIS  16   0.243  11.393   5.708
  278    HB3  HIS  16           HB3      HIS  16  -1.264  11.786   6.530
  279    HD1  HIS  16           HD1      HIS  16  -1.370  12.291   3.646
  280    HD2  HIS  16           HD2      HIS  16   0.186  15.113   6.268
  281    HE1  HIS  16           HE1      HIS  16  -1.530  14.491   2.438
  282    H    ARG  17           H        ARG  17  -0.420  10.218   7.149
  283    HA   ARG  17           HA       ARG  17   0.848   9.169   9.593
  284    HB2  ARG  17           HB2      ARG  17  -1.066   7.817  10.045
  285    HB3  ARG  17           HB3      ARG  17  -1.645   9.455   9.767
  286    HG2  ARG  17           HG2      ARG  17  -1.863   8.500   7.281
  287    HG3  ARG  17           HG3      ARG  17  -2.062   6.998   8.186
  288    HD2  ARG  17           HD2      ARG  17  -3.941   7.830   9.345
  289    HD3  ARG  17           HD3      ARG  17  -3.613   9.488   8.841
  290    HE   ARG  17           HE       ARG  17  -4.117   7.720   6.641
  291   HH11  ARG  17          HH11      ARG  17  -5.595   9.717   9.079
  292   HH12  ARG  17          HH12      ARG  17  -7.056   9.960   8.180
  293   HH21  ARG  17          HH21      ARG  17  -6.034   8.033   5.447
  294   HH22  ARG  17          HH22      ARG  17  -7.305   9.001   6.114
  295    H    LEU  18           H        LEU  18   0.119   8.747   6.241
  296    HA   LEU  18           HA       LEU  18   0.479   6.064   5.801
  297    HB2  LEU  18           HB2      LEU  18   1.538   6.774   3.610
  298    HB3  LEU  18           HB3      LEU  18  -0.079   7.384   3.954
  299    HG   LEU  18           HG       LEU  18   1.124   9.506   4.778
  300   HD11  LEU  18          HD11      LEU  18   3.353   9.246   4.858
  301   HD12  LEU  18          HD12      LEU  18   3.272   9.600   3.133
  302   HD13  LEU  18          HD13      LEU  18   3.346   7.928   3.687
  303   HD21  LEU  18          HD21      LEU  18   0.197   8.650   2.243
  304   HD22  LEU  18          HD22      LEU  18   1.633   9.641   1.982
  305   HD23  LEU  18          HD23      LEU  18   0.266  10.290   2.890
  306    H    PHE  19           H        PHE  19   2.822   8.389   6.829
  307    HA   PHE  19           HA       PHE  19   5.227   7.363   6.050
  308    HB2  PHE  19           HB2      PHE  19   5.260   9.338   7.346
  309    HB3  PHE  19           HB3      PHE  19   4.383   8.580   8.672
  310    HD1  PHE  19           HD1      PHE  19   5.835   8.904  10.471
  311    HD2  PHE  19           HD2      PHE  19   7.314   7.239   6.844
  312    HE1  PHE  19           HE1      PHE  19   7.967   8.385  11.583
  313    HE2  PHE  19           HE2      PHE  19   9.448   6.715   7.951
  314    HZ   PHE  19           HZ       PHE  19   9.776   7.288  10.323
  315    H    ARG  20           H        ARG  20   3.709   6.500   9.163
  316    HA   ARG  20           HA       ARG  20   5.172   3.956   9.081
  317    HB2  ARG  20           HB2      ARG  20   4.650   3.831  11.509
  318    HB3  ARG  20           HB3      ARG  20   5.606   5.240  11.073
  319    HG2  ARG  20           HG2      ARG  20   2.855   5.944  10.928
  320    HG3  ARG  20           HG3      ARG  20   3.155   5.143  12.472
  321    HD2  ARG  20           HD2      ARG  20   5.270   6.731  12.470
  322    HD3  ARG  20           HD3      ARG  20   4.248   7.693  11.401
  323    HE   ARG  20           HE       ARG  20   3.004   8.289  13.217
  324   HH11  ARG  20          HH11      ARG  20   4.800   5.409  13.994
  325   HH12  ARG  20          HH12      ARG  20   4.314   5.398  15.657
  326   HH21  ARG  20          HH21      ARG  20   2.359   8.286  15.404
  327   HH22  ARG  20          HH22      ARG  20   2.926   7.035  16.458
  328    H    ARG  21           H        ARG  21   2.016   5.341   8.968
  329    HA   ARG  21           HA       ARG  21   0.563   3.004   9.729
  330    HB2  ARG  21           HB2      ARG  21  -0.161   5.545   9.589
  331    HB3  ARG  21           HB3      ARG  21  -0.635   5.089   7.958
  332    HG2  ARG  21           HG2      ARG  21  -2.522   4.242   8.734
  333    HG3  ARG  21           HG3      ARG  21  -1.616   3.114   9.745
  334    HD2  ARG  21           HD2      ARG  21  -1.904   4.350  11.611
  335    HD3  ARG  21           HD3      ARG  21  -1.764   5.879  10.745
  336    HE   ARG  21           HE       ARG  21  -4.202   4.550  10.126
  337   HH11  ARG  21          HH11      ARG  21  -2.620   6.473  12.559
  338   HH12  ARG  21          HH12      ARG  21  -4.096   7.127  13.187
  339   HH21  ARG  21          HH21      ARG  21  -6.151   5.404  10.944
  340   HH22  ARG  21          HH22      ARG  21  -6.105   6.518  12.268
  341    H    ASN  22           H        ASN  22   2.222   3.927   6.913
  342    HA   ASN  22           HA       ASN  22   0.860   1.808   5.385
  343    HB2  ASN  22           HB2      ASN  22   1.146   4.540   4.710
  344    HB3  ASN  22           HB3      ASN  22   2.227   3.644   3.648
  345   HD21  ASN  22          HD21      ASN  22   1.392   2.320   2.097
  346   HD22  ASN  22          HD22      ASN  22  -0.292   2.237   1.724
  347    H    PHE  23           H        PHE  23   3.909   3.659   5.484
  348    HA   PHE  23           HA       PHE  23   5.345   1.327   4.480
  349    HB2  PHE  23           HB2      PHE  23   6.240   4.167   5.005
  350    HB3  PHE  23           HB3      PHE  23   7.291   2.896   4.389
  351    HD1  PHE  23           HD1      PHE  23   6.746   1.847   2.170
  352    HD2  PHE  23           HD2      PHE  23   4.839   5.382   3.576
  353    HE1  PHE  23           HE1      PHE  23   6.039   2.373  -0.127
  354    HE2  PHE  23           HE2      PHE  23   4.127   5.914   1.281
  355    HZ   PHE  23           HZ       PHE  23   4.726   4.409  -0.574
  356    H    GLY  24           H        GLY  24   4.218   1.901   7.335
  357    HA2  GLY  24           HA2      GLY  24   6.726   1.388   8.803
  358    HA3  GLY  24           HA3      GLY  24   5.263   2.054   9.516
  359    H    TYR  25           H        TYR  25   3.801  -0.058   7.783
  360    HA   TYR  25           HA       TYR  25   3.672  -2.025   9.879
  361    HB2  TYR  25           HB2      TYR  25   2.008  -1.175   7.700
  362    HB3  TYR  25           HB3      TYR  25   2.220  -2.921   7.622
  363    HD1  TYR  25           HD1      TYR  25   0.312  -3.934   8.442
  364    HD2  TYR  25           HD2      TYR  25   1.896  -0.568  10.507
  365    HE1  TYR  25           HE1      TYR  25  -1.383  -4.222  10.200
  366    HE2  TYR  25           HE2      TYR  25   0.204  -0.847  12.271
  367    HH   TYR  25           HH       TYR  25  -1.935  -3.623  12.342
  368    H    THR  26           H        THR  26   5.517  -1.621   7.079
  369    HA   THR  26           HA       THR  26   5.893  -4.452   6.562
  370    HB   THR  26           HB       THR  26   6.723  -1.935   5.233
  371    HG1  THR  26           HG1      THR  26   5.729  -4.481   4.470
  372   HG21  THR  26          HG21      THR  26   8.899  -2.918   5.581
  373   HG22  THR  26          HG22      THR  26   8.433  -3.149   3.895
  374   HG23  THR  26          HG23      THR  26   8.317  -4.490   5.033
  375    H    LEU  27           H        LEU  27   7.964  -1.719   7.544
  376    HA   LEU  27           HA       LEU  27  10.183  -3.383   8.190
  377    HB2  LEU  27           HB2      LEU  27   9.801  -0.698   7.792
  378    HB3  LEU  27           HB3      LEU  27  10.067  -0.788   9.532
  379    HG   LEU  27           HG       LEU  27  11.947  -1.663   7.345
  380   HD11  LEU  27          HD11      LEU  27  13.422  -0.004   8.606
  381   HD12  LEU  27          HD12      LEU  27  11.932   0.559   9.362
  382   HD13  LEU  27          HD13      LEU  27  12.123   0.655   7.612
  383   HD21  LEU  27          HD21      LEU  27  12.116  -3.295   9.082
  384   HD22  LEU  27          HD22      LEU  27  12.121  -2.049  10.329
  385   HD23  LEU  27          HD23      LEU  27  13.492  -2.203   9.230
  386    H    ARG  28           H        ARG  28   7.283  -3.166   9.654
  387    HA   ARG  28           HA       ARG  28   7.942  -2.912  12.393
  388    HB2  ARG  28           HB2      ARG  28   5.605  -3.185  10.904
  389    HB3  ARG  28           HB3      ARG  28   5.661  -4.641  11.889
  390    HG2  ARG  28           HG2      ARG  28   6.133  -3.012  13.843
  391    HG3  ARG  28           HG3      ARG  28   5.488  -1.787  12.749
  392    HD2  ARG  28           HD2      ARG  28   3.493  -2.375  13.579
  393    HD3  ARG  28           HD3      ARG  28   3.636  -3.776  12.519
  394    HE   ARG  28           HE       ARG  28   4.885  -4.584  14.777
  395   HH11  ARG  28          HH11      ARG  28   1.765  -3.174  14.144
  396   HH12  ARG  28          HH12      ARG  28   0.992  -3.965  15.477
  397   HH21  ARG  28          HH21      ARG  28   3.879  -5.631  16.536
  398   HH22  ARG  28          HH22      ARG  28   2.195  -5.361  16.838
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1   0.590  -0.665  -0.131
    2    HA   VAL   1           HA       VAL   1   0.687   0.051  -2.832
    3    HB   VAL   1           HB       VAL   1  -0.066   2.368  -1.046
    4   HG11  VAL   1          HG11      VAL   1  -0.175   3.550  -3.295
    5   HG12  VAL   1          HG12      VAL   1   1.433   3.174  -2.673
    6   HG13  VAL   1          HG13      VAL   1   0.722   2.175  -3.940
    7   HG21  VAL   1          HG21      VAL   1  -1.687   0.512  -2.525
    8   HG22  VAL   1          HG22      VAL   1  -2.184   1.839  -1.475
    9   HG23  VAL   1          HG23      VAL   1  -1.864   2.139  -3.183
   10    H    ALA   2           H        ALA   2   2.815  -0.454  -2.813
   11    HA   ALA   2           HA       ALA   2   4.563   1.174  -1.083
   12    HB1  ALA   2           HB1      ALA   2   6.100  -0.632  -0.917
   13    HB2  ALA   2           HB2      ALA   2   4.501  -1.277  -0.544
   14    HB3  ALA   2           HB3      ALA   2   5.223  -1.572  -2.126
   15    H    ARG   3           H        ARG   3   4.346   2.693  -2.955
   16    HA   ARG   3           HA       ARG   3   6.285   1.994  -5.062
   17    HB2  ARG   3           HB2      ARG   3   4.468   4.164  -5.752
   18    HB3  ARG   3           HB3      ARG   3   4.891   2.721  -6.663
   19    HG2  ARG   3           HG2      ARG   3   3.261   1.428  -5.400
   20    HG3  ARG   3           HG3      ARG   3   2.851   2.859  -4.453
   21    HD2  ARG   3           HD2      ARG   3   1.199   2.564  -6.175
   22    HD3  ARG   3           HD3      ARG   3   2.166   3.990  -6.549
   23    HE   ARG   3           HE       ARG   3   2.864   2.956  -8.461
   24   HH11  ARG   3          HH11      ARG   3   1.581   0.556  -6.290
   25   HH12  ARG   3          HH12      ARG   3   1.686  -0.732  -7.445
   26   HH21  ARG   3          HH21      ARG   3   3.008   1.269  -9.989
   27   HH22  ARG   3          HH22      ARG   3   2.499  -0.326  -9.547
   28    H    GLY   4           H        GLY   4   5.710   3.902  -2.402
   29    HA2  GLY   4           HA2      GLY   4   7.172   6.230  -3.391
   30    HA3  GLY   4           HA3      GLY   4   6.406   6.076  -1.817
   31    H    TRP   5           H        TRP   5   7.947   3.266  -2.075
   32    HA   TRP   5           HA       TRP   5  10.450   4.335  -0.944
   33    HB2  TRP   5           HB2      TRP   5   8.673   2.103  -0.052
   34    HB3  TRP   5           HB3      TRP   5  10.407   1.967   0.232
   35    HD1  TRP   5           HD1      TRP   5   9.361   5.510   0.473
   36    HE1  TRP   5           HE1      TRP   5   9.161   6.222   2.939
   37    HE3  TRP   5           HE3      TRP   5   9.564   0.897   2.669
   38    HZ2  TRP   5           HZ2      TRP   5   9.099   4.992   5.478
   39    HZ3  TRP   5           HZ3      TRP   5   9.428   0.752   5.122
   40    HH2  TRP   5           HH2      TRP   5   9.200   2.758   6.496
   41    H    LYS   6           H        LYS   6   8.963   2.096  -3.132
   42    HA   LYS   6           HA       LYS   6  11.580   0.950  -3.817
   43    HB2  LYS   6           HB2      LYS   6   8.755   0.023  -4.234
   44    HB3  LYS   6           HB3      LYS   6  10.058  -0.617  -5.226
   45    HG2  LYS   6           HG2      LYS   6   9.761  -0.821  -2.241
   46    HG3  LYS   6           HG3      LYS   6   9.698  -2.127  -3.425
   47    HD2  LYS   6           HD2      LYS   6  12.145  -0.922  -3.896
   48    HD3  LYS   6           HD3      LYS   6  11.990  -0.887  -2.138
   49    HE2  LYS   6           HE2      LYS   6  13.097  -2.929  -2.902
   50    HE3  LYS   6           HE3      LYS   6  11.559  -3.284  -2.115
   51    HZ1  LYS   6           HZ1      LYS   6  11.014  -4.411  -3.926
   52    HZ2  LYS   6           HZ2      LYS   6  12.395  -3.895  -4.753
   53    HZ3  LYS   6           HZ3      LYS   6  10.985  -2.960  -4.795
   54    H    ARG   7           H        ARG   7   8.622   2.076  -5.469
   55    HA   ARG   7           HA       ARG   7   9.895   2.373  -7.987
   56    HB2  ARG   7           HB2      ARG   7   7.339   2.202  -7.292
   57    HB3  ARG   7           HB3      ARG   7   7.460   3.956  -7.315
   58    HG2  ARG   7           HG2      ARG   7   7.245   3.964  -9.514
   59    HG3  ARG   7           HG3      ARG   7   8.670   2.937  -9.679
   60    HD2  ARG   7           HD2      ARG   7   7.438   1.013  -9.829
   61    HD3  ARG   7           HD3      ARG   7   6.104   1.667  -8.879
   62    HE   ARG   7           HE       ARG   7   6.041   3.134 -11.159
   63   HH11  ARG   7          HH11      ARG   7   6.054  -0.282 -10.487
   64   HH12  ARG   7          HH12      ARG   7   5.135  -0.695 -11.897
   65   HH21  ARG   7          HH21      ARG   7   4.831   2.603 -13.018
   66   HH22  ARG   7          HH22      ARG   7   4.441   0.947 -13.337
   67    H    LYS   8           H        LYS   8   8.932   4.711  -5.489
   68    HA   LYS   8           HA       LYS   8   9.741   7.043  -6.760
   69    HB2  LYS   8           HB2      LYS   8   9.054   6.229  -4.066
   70    HB3  LYS   8           HB3      LYS   8  10.346   7.423  -4.055
   71    HG2  LYS   8           HG2      LYS   8   8.188   8.501  -3.882
   72    HG3  LYS   8           HG3      LYS   8   8.966   8.923  -5.410
   73    HD2  LYS   8           HD2      LYS   8   7.493   6.633  -5.978
   74    HD3  LYS   8           HD3      LYS   8   6.445   7.585  -4.925
   75    HE2  LYS   8           HE2      LYS   8   7.029   9.560  -6.448
   76    HE3  LYS   8           HE3      LYS   8   7.642   8.346  -7.571
   77    HZ1  LYS   8           HZ1      LYS   8   4.961   9.122  -7.062
   78    HZ2  LYS   8           HZ2      LYS   8   5.150   7.461  -6.802
   79    HZ3  LYS   8           HZ3      LYS   8   5.572   8.136  -8.295
   80    H    CYS   9           H        CYS   9  11.599   5.730  -4.035
   81    HA   CYS   9           HA       CYS   9  14.060   6.308  -5.549
   82    HB2  CYS   9           HB2      CYS   9  13.198   7.486  -3.153
   83    HB3  CYS   9           HB3      CYS   9  14.455   6.349  -2.684
   84    HG   CYS   9           HG       CYS   9  15.396   9.053  -3.058
   85    HA   PRO  10           HA       PRO  10  14.690   1.937  -4.919
   86    HB2  PRO  10           HB2      PRO  10  17.058   1.817  -6.242
   87    HB3  PRO  10           HB3      PRO  10  15.499   1.899  -7.070
   88    HG2  PRO  10           HG2      PRO  10  17.464   4.087  -6.510
   89    HG3  PRO  10           HG3      PRO  10  16.545   3.759  -7.991
   90    HD2  PRO  10           HD2      PRO  10  15.809   5.663  -6.211
   91    HD3  PRO  10           HD3      PRO  10  14.630   4.747  -7.172
   92    H    LEU  11           H        LEU  11  15.351   3.776  -2.788
   93    HA   LEU  11           HA       LEU  11  18.032   2.925  -1.969
   94    HB2  LEU  11           HB2      LEU  11  16.200   5.133  -1.202
   95    HB3  LEU  11           HB3      LEU  11  17.316   4.529   0.021
   96    HG   LEU  11           HG       LEU  11  18.568   5.150  -2.561
   97   HD11  LEU  11          HD11      LEU  11  16.725   7.028  -1.423
   98   HD12  LEU  11          HD12      LEU  11  17.708   7.167  -2.880
   99   HD13  LEU  11          HD13      LEU  11  18.370   7.655  -1.319
  100   HD21  LEU  11          HD21      LEU  11  19.448   6.463  -0.093
  101   HD22  LEU  11          HD22      LEU  11  20.359   5.501  -1.258
  102   HD23  LEU  11          HD23      LEU  11  19.403   4.701  -0.009
  103    H    PHE  12           H        PHE  12  14.742   3.121  -0.611
  104    HA   PHE  12           HA       PHE  12  15.126   1.742   1.733
  105    HB2  PHE  12           HB2      PHE  12  13.007   2.753   1.339
  106    HB3  PHE  12           HB3      PHE  12  12.747   1.804  -0.121
  107    HD1  PHE  12           HD1      PHE  12  13.160   1.459   3.557
  108    HD2  PHE  12           HD2      PHE  12  11.527  -0.161  -0.025
  109    HE1  PHE  12           HE1      PHE  12  11.946  -0.226   4.876
  110    HE2  PHE  12           HE2      PHE  12  10.311  -1.850   1.290
  111    HZ   PHE  12           HZ       PHE  12  10.519  -1.882   3.743
  112    H    GLY  13           H        GLY  13  14.831   0.471  -1.522
  113    HA2  GLY  13           HA2      GLY  13  14.935  -2.276  -0.491
  114    HA3  GLY  13           HA3      GLY  13  14.542  -1.812  -2.141
  115    H    LYS  14           H        LYS  14  16.243  -1.184  -3.558
  116    HA   LYS  14           HA       LYS  14  18.489  -2.793  -3.506
  117    HB2  LYS  14           HB2      LYS  14  18.340  -0.100  -4.865
  118    HB3  LYS  14           HB3      LYS  14  19.344  -1.468  -5.326
  119    HG2  LYS  14           HG2      LYS  14  16.344  -1.287  -5.490
  120    HG3  LYS  14           HG3      LYS  14  17.489  -1.309  -6.834
  121    HD2  LYS  14           HD2      LYS  14  18.231  -3.585  -5.816
  122    HD3  LYS  14           HD3      LYS  14  16.663  -3.532  -5.007
  123    HE2  LYS  14           HE2      LYS  14  15.998  -4.586  -6.897
  124    HE3  LYS  14           HE3      LYS  14  15.884  -2.932  -7.495
  125    HZ1  LYS  14           HZ1      LYS  14  18.207  -3.213  -8.319
  126    HZ2  LYS  14           HZ2      LYS  14  17.065  -4.188  -9.097
  127    HZ3  LYS  14           HZ3      LYS  14  18.097  -4.857  -7.934
  128    H    GLY  15           H        GLY  15  18.185   0.596  -2.483
  129    HA2  GLY  15           HA2      GLY  15  20.819   1.169  -1.896
  130    HA3  GLY  15           HA3      GLY  15  19.450   1.834  -1.018
  131    H    GLY  16           H        GLY  16  18.509  -0.675   0.029
  132    HA2  GLY  16           HA2      GLY  16  20.525  -1.003   2.137
  133    HA3  GLY  16           HA3      GLY  16  18.821  -1.414   2.268
  134    H1   LYS   1           H        LYS   1  17.932   2.250   6.116
  135    HA   LYS   1           HA       LYS   1  17.666   5.108   6.785
  136    HB2  LYS   1           HB2      LYS   1  19.163   3.690   4.665
  137    HB3  LYS   1           HB3      LYS   1  18.317   5.145   4.156
  138    HG2  LYS   1           HG2      LYS   1  20.367   5.990   4.732
  139    HG3  LYS   1           HG3      LYS   1  19.470   6.208   6.237
  140    HD2  LYS   1           HD2      LYS   1  20.583   4.490   7.302
  141    HD3  LYS   1           HD3      LYS   1  20.991   3.677   5.791
  142    HE2  LYS   1           HE2      LYS   1  22.886   4.860   5.526
  143    HE3  LYS   1           HE3      LYS   1  22.147   6.358   6.091
  144    HZ1  LYS   1           HZ1      LYS   1  22.592   5.843   8.289
  145    HZ2  LYS   1           HZ2      LYS   1  23.982   5.292   7.498
  146    HZ3  LYS   1           HZ3      LYS   1  22.793   4.191   7.985
  147    H    TYR   2           H        TYR   2  15.463   5.260   6.928
  148    HA   TYR   2           HA       TYR   2  13.941   4.536   4.510
  149    HB2  TYR   2           HB2      TYR   2  11.978   4.716   6.303
  150    HB3  TYR   2           HB3      TYR   2  12.887   3.227   6.066
  151    HD1  TYR   2           HD1      TYR   2  12.218   6.016   8.320
  152    HD2  TYR   2           HD2      TYR   2  14.561   2.517   7.710
  153    HE1  TYR   2           HE1      TYR   2  12.851   6.034  10.697
  154    HE2  TYR   2           HE2      TYR   2  15.200   2.525  10.085
  155    HH   TYR   2           HH       TYR   2  13.659   4.060  12.400
  156    H    GLU   3           H        GLU   3  14.228   6.891   7.146
  157    HA   GLU   3           HA       GLU   3  12.339   8.740   6.381
  158    HB2  GLU   3           HB2      GLU   3  13.977  10.453   7.381
  159    HB3  GLU   3           HB3      GLU   3  13.399   9.159   8.421
  160    HG2  GLU   3           HG2      GLU   3  15.435   8.059   8.406
  161    HG3  GLU   3           HG3      GLU   3  15.968   8.857   6.927
  162    H    ILE   4           H        ILE   4  15.322   7.951   4.837
  163    HA   ILE   4           HA       ILE   4  15.608  10.366   3.341
  164    HB   ILE   4           HB       ILE   4  17.272   9.183   2.036
  165   HG12  ILE   4          HG12      ILE   4  17.628   6.688   2.978
  166   HG13  ILE   4          HG13      ILE   4  15.880   6.807   3.152
  167   HG21  ILE   4          HG21      ILE   4  17.311   8.752   5.003
  168   HG22  ILE   4          HG22      ILE   4  18.669   8.268   3.988
  169   HG23  ILE   4          HG23      ILE   4  18.169   9.958   4.044
  170   HD11  ILE   4          HD11      ILE   4  16.276   7.759   0.624
  171   HD12  ILE   4          HD12      ILE   4  17.509   6.505   0.760
  172   HD13  ILE   4          HD13      ILE   4  15.814   6.109   1.042
  173    H    THR   5           H        THR   5  13.411   7.856   3.155
  174    HA   THR   5           HA       THR   5  12.838   8.465   0.329
  175    HB   THR   5           HB       THR   5  13.581   6.153   0.527
  176    HG1  THR   5           HG1      THR   5  12.098   5.769  -0.921
  177   HG21  THR   5          HG21      THR   5  11.558   6.091   2.722
  178   HG22  THR   5          HG22      THR   5  13.185   5.412   2.673
  179   HG23  THR   5          HG23      THR   5  11.871   4.621   1.801
  180    H    THR   6           H        THR   6  11.744   8.571   3.519
  181    HA   THR   6           HA       THR   6   8.948   8.880   2.642
  182    HB   THR   6           HB       THR   6   8.417   7.498   4.307
  183    HG1  THR   6           HG1      THR   6   9.629   9.298   6.145
  184   HG21  THR   6          HG21      THR   6  10.589   6.479   4.255
  185   HG22  THR   6          HG22      THR   6  10.121   6.676   5.945
  186   HG23  THR   6          HG23      THR   6  11.279   7.787   5.215
  187    H    ILE   7           H        ILE   7  11.654  10.569   3.618
  188    HA   ILE   7           HA       ILE   7  10.018  12.814   4.604
  189    HB   ILE   7           HB       ILE   7  12.960  12.436   5.142
  190   HG12  ILE   7          HG12      ILE   7  11.652  10.584   6.138
  191   HG13  ILE   7          HG13      ILE   7  12.361  11.633   7.361
  192   HG21  ILE   7          HG21      ILE   7  12.337  14.705   5.374
  193   HG22  ILE   7          HG22      ILE   7  10.850  14.285   6.222
  194   HG23  ILE   7          HG23      ILE   7  12.410  14.047   7.008
  195   HD11  ILE   7          HD11      ILE   7   9.930  10.832   7.639
  196   HD12  ILE   7          HD12      ILE   7  10.315  12.524   7.959
  197   HD13  ILE   7          HD13      ILE   7   9.555  12.065   6.436
  198    H    HIS   8           H        HIS   8  12.461  11.760   2.361
  199    HA   HIS   8           HA       HIS   8  12.602  14.477   1.235
  200    HB2  HIS   8           HB2      HIS   8  14.629  12.566   1.813
  201    HB3  HIS   8           HB3      HIS   8  14.551  12.749   0.063
  202    HD1  HIS   8           HD1      HIS   8  15.304  14.989  -0.927
  203    HD2  HIS   8           HD2      HIS   8  15.451  14.865   3.223
  204    HE1  HIS   8           HE1      HIS   8  16.601  17.031  -0.240
  205    H    ASN   9           H        ASN   9  11.130  11.546   0.799
  206    HA   ASN   9           HA       ASN   9  10.853  12.004  -2.099
  207    HB2  ASN   9           HB2      ASN   9  11.521   9.582  -0.620
  208    HB3  ASN   9           HB3      ASN   9  10.131   9.357  -1.677
  209   HD21  ASN   9          HD21      ASN   9  10.382   9.605  -3.904
  210   HD22  ASN   9          HD22      ASN   9  11.938   9.556  -4.655
  211    H    LEU  10           H        LEU  10   9.293  12.886   0.357
  212    HA   LEU  10           HA       LEU  10   6.673  11.848  -0.504
  213    HB2  LEU  10           HB2      LEU  10   5.924  11.730   1.642
  214    HB3  LEU  10           HB3      LEU  10   7.630  11.370   1.896
  215    HG   LEU  10           HG       LEU  10   6.435  14.112   2.262
  216   HD11  LEU  10          HD11      LEU  10   7.195  12.860   4.712
  217   HD12  LEU  10          HD12      LEU  10   6.036  11.833   3.870
  218   HD13  LEU  10          HD13      LEU  10   5.626  13.508   4.234
  219   HD21  LEU  10          HD21      LEU  10   8.612  14.044   3.812
  220   HD22  LEU  10          HD22      LEU  10   8.654  14.547   2.123
  221   HD23  LEU  10          HD23      LEU  10   9.118  12.904   2.565
  222    H    PHE  11           H        PHE  11   8.658  14.594   0.071
  223    HA   PHE  11           HA       PHE  11   6.928  16.660   0.522
  224    HB2  PHE  11           HB2      PHE  11   9.543  16.367  -0.742
  225    HB3  PHE  11           HB3      PHE  11   8.623  17.718  -1.397
  226    HD1  PHE  11           HD1      PHE  11   9.962  19.471  -0.536
  227    HD2  PHE  11           HD2      PHE  11   8.373  16.506   2.072
  228    HE1  PHE  11           HE1      PHE  11  10.597  20.842   1.406
  229    HE2  PHE  11           HE2      PHE  11   9.004  17.873   4.018
  230    HZ   PHE  11           HZ       PHE  11  10.117  20.045   3.686
  231    H    ARG  12           H        ARG  12   7.290  14.780  -2.386
  232    HA   ARG  12           HA       ARG  12   5.875  16.566  -4.106
  233    HB2  ARG  12           HB2      ARG  12   6.377  13.598  -4.398
  234    HB3  ARG  12           HB3      ARG  12   5.819  14.676  -5.671
  235    HG2  ARG  12           HG2      ARG  12   8.396  15.222  -4.262
  236    HG3  ARG  12           HG3      ARG  12   8.317  14.023  -5.554
  237    HD2  ARG  12           HD2      ARG  12   7.021  16.056  -6.738
  238    HD3  ARG  12           HD3      ARG  12   8.087  16.967  -5.669
  239    HE   ARG  12           HE       ARG  12   9.848  16.386  -7.002
  240   HH11  ARG  12          HH11      ARG  12   7.180  14.251  -7.665
  241   HH12  ARG  12          HH12      ARG  12   7.957  13.487  -9.013
  242   HH21  ARG  12          HH21      ARG  12  10.883  15.387  -8.773
  243   HH22  ARG  12          HH22      ARG  12  10.063  14.133  -9.641
  244    H    LYS  13           H        LYS  13   4.985  13.579  -2.396
  245    HA   LYS  13           HA       LYS  13   2.159  14.355  -2.708
  246    HB2  LYS  13           HB2      LYS  13   3.031  12.275  -4.002
  247    HB3  LYS  13           HB3      LYS  13   3.024  11.492  -2.427
  248    HG2  LYS  13           HG2      LYS  13   0.586  12.273  -2.270
  249    HG3  LYS  13           HG3      LYS  13   0.712  12.550  -4.009
  250    HD2  LYS  13           HD2      LYS  13   1.337   9.929  -2.653
  251    HD3  LYS  13           HD3      LYS  13  -0.215  10.318  -3.402
  252    HE2  LYS  13           HE2      LYS  13   1.003  10.727  -5.539
  253    HE3  LYS  13           HE3      LYS  13   2.473  10.147  -4.759
  254    HZ1  LYS  13           HZ1      LYS  13   0.486   8.641  -6.000
  255    HZ2  LYS  13           HZ2      LYS  13   0.419   8.273  -4.350
  256    HZ3  LYS  13           HZ3      LYS  13   1.867   8.080  -5.202
  257    H    LEU  14           H        LEU  14   3.208  15.417  -0.592
  258    HA   LEU  14           HA       LEU  14   3.817  14.363   1.734
  259    HB2  LEU  14           HB2      LEU  14   2.238  16.602   0.951
  260    HB3  LEU  14           HB3      LEU  14   1.506  15.871   2.380
  261    HG   LEU  14           HG       LEU  14   3.882  16.010   3.387
  262   HD11  LEU  14          HD11      LEU  14   4.637  16.779   0.943
  263   HD12  LEU  14          HD12      LEU  14   5.468  17.294   2.411
  264   HD13  LEU  14          HD13      LEU  14   4.293  18.360   1.642
  265   HD21  LEU  14          HD21      LEU  14   3.448  18.540   3.827
  266   HD22  LEU  14          HD22      LEU  14   2.303  17.335   4.417
  267   HD23  LEU  14          HD23      LEU  14   1.949  18.243   2.947
  268    H    THR  15           H        THR  15   3.331  12.385   2.455
  269    HA   THR  15           HA       THR  15   0.681  11.275   2.186
  270    HB   THR  15           HB       THR  15   1.835   9.441   3.705
  271    HG1  THR  15           HG1      THR  15   3.713  11.011   3.883
  272   HG21  THR  15          HG21      THR  15   1.222   9.522   1.147
  273   HG22  THR  15          HG22      THR  15   2.264   8.250   1.783
  274   HG23  THR  15          HG23      THR  15   2.970   9.637   0.953
  275    H    HIS  16           H        HIS  16  -0.913  11.558   3.590
  276    HA   HIS  16           HA       HIS  16  -0.738  13.050   5.928
  277    HB2  HIS  16           HB2      HIS  16  -2.763  11.278   4.696
  278    HB3  HIS  16           HB3      HIS  16  -2.940  11.560   6.426
  279    HD1  HIS  16           HD1      HIS  16  -3.680  13.888   7.175
  280    HD2  HIS  16           HD2      HIS  16  -3.135  13.560   3.069
  281    HE1  HIS  16           HE1      HIS  16  -4.676  15.980   6.195
  282    H    ARG  17           H        ARG  17  -1.662   9.621   6.001
  283    HA   ARG  17           HA       ARG  17   0.070   9.300   8.364
  284    HB2  ARG  17           HB2      ARG  17  -2.763   8.737   7.978
  285    HB3  ARG  17           HB3      ARG  17  -1.876   7.329   8.550
  286    HG2  ARG  17           HG2      ARG  17  -1.902   8.137  10.605
  287    HG3  ARG  17           HG3      ARG  17  -1.035   9.576  10.065
  288    HD2  ARG  17           HD2      ARG  17  -3.372  10.360   9.249
  289    HD3  ARG  17           HD3      ARG  17  -3.979   9.138  10.366
  290    HE   ARG  17           HE       ARG  17  -2.197  10.614  11.830
  291   HH11  ARG  17          HH11      ARG  17  -5.071  11.297   9.989
  292   HH12  ARG  17          HH12      ARG  17  -5.536  12.648  10.968
  293   HH21  ARG  17          HH21      ARG  17  -2.796  12.392  13.127
  294   HH22  ARG  17          HH22      ARG  17  -4.240  13.271  12.753
  295    H    LEU  18           H        LEU  18  -0.491   8.352   5.213
  296    HA   LEU  18           HA       LEU  18  -0.041   5.626   5.144
  297    HB2  LEU  18           HB2      LEU  18   0.952   7.740   3.238
  298    HB3  LEU  18           HB3      LEU  18   0.936   6.010   2.902
  299    HG   LEU  18           HG       LEU  18  -1.547   7.624   3.462
  300   HD11  LEU  18          HD11      LEU  18  -1.342   6.775   0.751
  301   HD12  LEU  18          HD12      LEU  18   0.095   7.708   1.168
  302   HD13  LEU  18          HD13      LEU  18  -1.508   8.409   1.392
  303   HD21  LEU  18          HD21      LEU  18  -2.204   5.472   3.809
  304   HD22  LEU  18          HD22      LEU  18  -0.953   4.800   2.761
  305   HD23  LEU  18          HD23      LEU  18  -2.391   5.543   2.057
  306    H    PHE  19           H        PHE  19   2.125   8.161   6.002
  307    HA   PHE  19           HA       PHE  19   4.614   7.160   5.415
  308    HB2  PHE  19           HB2      PHE  19   4.531   9.298   6.406
  309    HB3  PHE  19           HB3      PHE  19   3.612   8.715   7.789
  310    HD1  PHE  19           HD1      PHE  19   4.945   9.329   9.597
  311    HD2  PHE  19           HD2      PHE  19   6.685   7.259   6.310
  312    HE1  PHE  19           HE1      PHE  19   7.034   9.065  10.872
  313    HE2  PHE  19           HE2      PHE  19   8.774   6.991   7.579
  314    HZ   PHE  19           HZ       PHE  19   8.951   7.894   9.863
  315    H    ARG  20           H        ARG  20   2.883   6.608   8.487
  316    HA   ARG  20           HA       ARG  20   4.521   4.200   8.884
  317    HB2  ARG  20           HB2      ARG  20   3.936   4.370  11.248
  318    HB3  ARG  20           HB3      ARG  20   4.650   5.871  10.676
  319    HG2  ARG  20           HG2      ARG  20   2.921   6.889  11.630
  320    HG3  ARG  20           HG3      ARG  20   1.955   6.272  10.288
  321    HD2  ARG  20           HD2      ARG  20   0.856   5.701  12.341
  322    HD3  ARG  20           HD3      ARG  20   1.511   4.226  11.629
  323    HE   ARG  20           HE       ARG  20   3.428   5.184  13.382
  324   HH11  ARG  20          HH11      ARG  20   0.145   4.035  13.534
  325   HH12  ARG  20          HH12      ARG  20   0.298   3.417  15.145
  326   HH21  ARG  20          HH21      ARG  20   3.642   4.375  15.504
  327   HH22  ARG  20          HH22      ARG  20   2.287   3.612  16.266
  328    H    ARG  21           H        ARG  21   1.269   5.366   8.505
  329    HA   ARG  21           HA       ARG  21  -0.055   3.010   9.406
  330    HB2  ARG  21           HB2      ARG  21  -0.938   5.470   8.991
  331    HB3  ARG  21           HB3      ARG  21  -1.307   4.828   7.396
  332    HG2  ARG  21           HG2      ARG  21  -3.170   3.937   8.181
  333    HG3  ARG  21           HG3      ARG  21  -2.235   2.965   9.321
  334    HD2  ARG  21           HD2      ARG  21  -2.617   4.382  11.054
  335    HD3  ARG  21           HD3      ARG  21  -2.660   5.809  10.019
  336    HE   ARG  21           HE       ARG  21  -4.926   5.574   9.870
  337   HH11  ARG  21          HH11      ARG  21  -3.553   2.563  10.952
  338   HH12  ARG  21          HH12      ARG  21  -5.090   1.820  11.251
  339   HH21  ARG  21          HH21      ARG  21  -6.954   4.606  10.258
  340   HH22  ARG  21          HH22      ARG  21  -7.024   2.982  10.854
  341    H    ASN  22           H        ASN  22   1.640   3.809   6.562
  342    HA   ASN  22           HA       ASN  22   0.521   1.442   5.209
  343    HB2  ASN  22           HB2      ASN  22   0.162   3.877   4.226
  344    HB3  ASN  22           HB3      ASN  22   1.797   3.628   3.622
  345   HD21  ASN  22          HD21      ASN  22   2.105   1.431   2.549
  346   HD22  ASN  22          HD22      ASN  22   0.857   0.942   1.459
  347    H    PHE  23           H        PHE  23   3.393   3.557   5.270
  348    HA   PHE  23           HA       PHE  23   5.066   1.300   4.486
  349    HB2  PHE  23           HB2      PHE  23   5.651   4.245   4.821
  350    HB3  PHE  23           HB3      PHE  23   6.879   3.052   4.414
  351    HD1  PHE  23           HD1      PHE  23   6.772   1.857   2.256
  352    HD2  PHE  23           HD2      PHE  23   4.124   5.053   3.198
  353    HE1  PHE  23           HE1      PHE  23   6.212   2.092  -0.129
  354    HE2  PHE  23           HE2      PHE  23   3.558   5.292   0.817
  355    HZ   PHE  23           HZ       PHE  23   4.602   3.810  -0.851
  356    H    GLY  24           H        GLY  24   3.763   1.929   7.244
  357    HA2  GLY  24           HA2      GLY  24   6.240   1.697   8.835
  358    HA3  GLY  24           HA3      GLY  24   4.726   2.346   9.446
  359    H    TYR  25           H        TYR  25   3.291   0.122   7.962
  360    HA   TYR  25           HA       TYR  25   3.295  -1.730  10.161
  361    HB2  TYR  25           HB2      TYR  25   1.625  -1.207   7.793
  362    HB3  TYR  25           HB3      TYR  25   1.715  -2.900   8.267
  363    HD1  TYR  25           HD1      TYR  25   1.585   0.268  10.248
  364    HD2  TYR  25           HD2      TYR  25  -0.227  -3.480   9.372
  365    HE1  TYR  25           HE1      TYR  25  -0.092   0.676  12.000
  366    HE2  TYR  25           HE2      TYR  25  -1.910  -3.082  11.121
  367    HH   TYR  25           HH       TYR  25  -2.311  -0.032  12.625
  368    H    THR  26           H        THR  26   5.048  -1.446   7.297
  369    HA   THR  26           HA       THR  26   5.526  -4.322   7.054
  370    HB   THR  26           HB       THR  26   5.958  -1.982   5.277
  371    HG1  THR  26           HG1      THR  26   4.315  -3.816   5.184
  372   HG21  THR  26          HG21      THR  26   8.232  -2.774   5.459
  373   HG22  THR  26          HG22      THR  26   7.574  -3.273   3.901
  374   HG23  THR  26          HG23      THR  26   7.709  -4.440   5.215
  375    H    LEU  27           H        LEU  27   7.441  -1.324   7.320
  376    HA   LEU  27           HA       LEU  27   9.860  -2.711   7.916
  377    HB2  LEU  27           HB2      LEU  27   9.208  -0.166   7.132
  378    HB3  LEU  27           HB3      LEU  27   9.698   0.067   8.809
  379    HG   LEU  27           HG       LEU  27  11.360  -1.099   6.576
  380   HD11  LEU  27          HD11      LEU  27  11.245   1.275   6.409
  381   HD12  LEU  27          HD12      LEU  27  12.806   0.866   7.118
  382   HD13  LEU  27          HD13      LEU  27  11.503   1.469   8.143
  383   HD21  LEU  27          HD21      LEU  27  11.938  -0.823   9.520
  384   HD22  LEU  27          HD22      LEU  27  13.171  -1.119   8.294
  385   HD23  LEU  27          HD23      LEU  27  11.895  -2.307   8.569
  386    H    ARG  28           H        ARG  28   7.163  -2.451   9.701
  387    HA   ARG  28           HA       ARG  28   7.907  -1.573  12.223
  388    HB2  ARG  28           HB2      ARG  28   5.602  -2.290  11.427
  389    HB3  ARG  28           HB3      ARG  28   6.112  -3.946  11.729
  390    HG2  ARG  28           HG2      ARG  28   6.666  -2.328  14.028
  391    HG3  ARG  28           HG3      ARG  28   4.979  -2.139  13.542
  392    HD2  ARG  28           HD2      ARG  28   6.197  -4.864  13.698
  393    HD3  ARG  28           HD3      ARG  28   5.657  -4.056  15.168
  394    HE   ARG  28           HE       ARG  28   3.509  -3.840  13.565
  395   HH11  ARG  28          HH11      ARG  28   5.526  -6.537  14.443
  396   HH12  ARG  28          HH12      ARG  28   4.253  -7.705  14.295
  397   HH21  ARG  28          HH21      ARG  28   1.825  -5.366  13.366
  398   HH22  ARG  28          HH22      ARG  28   2.149  -7.037  13.682
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1  -0.134   5.097   0.463
    2    HA   VAL   1           HA       VAL   1   0.136   3.536  -1.201
    3    HB   VAL   1           HB       VAL   1   1.359   5.596  -3.013
    4   HG11  VAL   1          HG11      VAL   1  -0.203   3.054  -3.415
    5   HG12  VAL   1          HG12      VAL   1   0.157   4.187  -4.720
    6   HG13  VAL   1          HG13      VAL   1   1.471   3.381  -3.860
    7   HG21  VAL   1          HG21      VAL   1  -0.565   6.755  -2.401
    8   HG22  VAL   1          HG22      VAL   1  -1.063   5.878  -3.847
    9   HG23  VAL   1          HG23      VAL   1  -1.523   5.282  -2.253
   10    H    ALA   2           H        ALA   2   1.907   2.349  -2.241
   11    HA   ALA   2           HA       ALA   2   4.444   2.889  -0.869
   12    HB1  ALA   2           HB1      ALA   2   3.102   0.422  -1.847
   13    HB2  ALA   2           HB2      ALA   2   4.864   0.448  -1.770
   14    HB3  ALA   2           HB3      ALA   2   3.913   0.737  -0.313
   15    H    ARG   3           H        ARG   3   4.555   4.634  -2.667
   16    HA   ARG   3           HA       ARG   3   5.913   3.455  -5.003
   17    HB2  ARG   3           HB2      ARG   3   4.958   6.193  -5.359
   18    HB3  ARG   3           HB3      ARG   3   4.784   4.794  -6.410
   19    HG2  ARG   3           HG2      ARG   3   2.894   4.017  -5.088
   20    HG3  ARG   3           HG3      ARG   3   3.082   5.393  -4.000
   21    HD2  ARG   3           HD2      ARG   3   1.463   6.221  -5.378
   22    HD3  ARG   3           HD3      ARG   3   2.896   6.749  -6.259
   23    HE   ARG   3           HE       ARG   3   2.084   4.182  -7.132
   24   HH11  ARG   3          HH11      ARG   3   1.224   7.548  -7.336
   25   HH12  ARG   3          HH12      ARG   3   0.452   7.392  -8.880
   26   HH21  ARG   3          HH21      ARG   3   1.070   3.962  -9.163
   27   HH22  ARG   3          HH22      ARG   3   0.364   5.351  -9.917
   28    H    GLY   4           H        GLY   4   6.298   5.244  -2.217
   29    HA2  GLY   4           HA2      GLY   4   8.451   6.923  -3.258
   30    HA3  GLY   4           HA3      GLY   4   7.801   6.960  -1.626
   31    H    TRP   5           H        TRP   5   8.168   3.797  -2.177
   32    HA   TRP   5           HA       TRP   5  10.938   3.789  -1.170
   33    HB2  TRP   5           HB2      TRP   5   8.514   2.257  -0.344
   34    HB3  TRP   5           HB3      TRP   5  10.080   1.457  -0.234
   35    HD1  TRP   5           HD1      TRP   5  10.138   5.158   0.460
   36    HE1  TRP   5           HE1      TRP   5  10.468   5.554   2.981
   37    HE3  TRP   5           HE3      TRP   5   9.463   0.372   2.128
   38    HZ2  TRP   5           HZ2      TRP   5  10.446   4.038   5.362
   39    HZ3  TRP   5           HZ3      TRP   5   9.635  -0.070   4.543
   40    HH2  TRP   5           HH2      TRP   5  10.117   1.726   6.125
   41    H    LYS   6           H        LYS   6   9.065   3.037  -3.778
   42    HA   LYS   6           HA       LYS   6  10.861   0.848  -4.597
   43    HB2  LYS   6           HB2      LYS   6   8.694  -0.083  -4.510
   44    HB3  LYS   6           HB3      LYS   6   7.959   1.350  -5.215
   45    HG2  LYS   6           HG2      LYS   6   9.922   0.129  -6.972
   46    HG3  LYS   6           HG3      LYS   6   8.612  -0.972  -6.540
   47    HD2  LYS   6           HD2      LYS   6   7.670   1.706  -7.187
   48    HD3  LYS   6           HD3      LYS   6   8.540   0.947  -8.523
   49    HE2  LYS   6           HE2      LYS   6   7.000  -0.732  -8.752
   50    HE3  LYS   6           HE3      LYS   6   6.516  -0.666  -7.059
   51    HZ1  LYS   6           HZ1      LYS   6   5.907   1.584  -8.858
   52    HZ2  LYS   6           HZ2      LYS   6   5.120   1.112  -7.438
   53    HZ3  LYS   6           HZ3      LYS   6   4.917   0.212  -8.856
   54    H    ARG   7           H        ARG   7   9.272   3.837  -5.530
   55    HA   ARG   7           HA       ARG   7   9.923   3.998  -8.206
   56    HB2  ARG   7           HB2      ARG   7   8.523   5.652  -7.088
   57    HB3  ARG   7           HB3      ARG   7   9.902   6.220  -6.156
   58    HG2  ARG   7           HG2      ARG   7   9.445   7.747  -7.960
   59    HG3  ARG   7           HG3      ARG   7  10.989   6.939  -8.242
   60    HD2  ARG   7           HD2      ARG   7   9.109   5.301  -9.468
   61    HD3  ARG   7           HD3      ARG   7   8.575   6.940  -9.843
   62    HE   ARG   7           HE       ARG   7  11.319   6.803 -10.318
   63   HH11  ARG   7          HH11      ARG   7   8.364   5.452 -11.567
   64   HH12  ARG   7          HH12      ARG   7   8.979   5.259 -13.175
   65   HH21  ARG   7          HH21      ARG   7  12.141   6.554 -12.431
   66   HH22  ARG   7          HH22      ARG   7  11.127   5.885 -13.665
   67    H    LYS   8           H        LYS   8  11.988   4.291  -5.429
   68    HA   LYS   8           HA       LYS   8  14.240   5.050  -7.168
   69    HB2  LYS   8           HB2      LYS   8  13.677   5.489  -4.257
   70    HB3  LYS   8           HB3      LYS   8  15.339   5.462  -4.828
   71    HG2  LYS   8           HG2      LYS   8  14.523   7.731  -4.718
   72    HG3  LYS   8           HG3      LYS   8  14.823   7.273  -6.396
   73    HD2  LYS   8           HD2      LYS   8  12.487   6.963  -6.801
   74    HD3  LYS   8           HD3      LYS   8  12.111   7.144  -5.086
   75    HE2  LYS   8           HE2      LYS   8  11.555   9.183  -6.245
   76    HE3  LYS   8           HE3      LYS   8  12.939   9.472  -5.192
   77    HZ1  LYS   8           HZ1      LYS   8  13.032  10.393  -7.547
   78    HZ2  LYS   8           HZ2      LYS   8  13.290   8.799  -8.048
   79    HZ3  LYS   8           HZ3      LYS   8  14.387   9.543  -6.996
   80    H    CYS   9           H        CYS   9  15.420   3.374  -7.800
   81    HA   CYS   9           HA       CYS   9  15.363   0.847  -6.490
   82    HB2  CYS   9           HB2      CYS   9  16.754   2.008  -8.851
   83    HB3  CYS   9           HB3      CYS   9  17.452   0.560  -8.134
   84    HG   CYS   9           HG       CYS   9  14.693   0.906  -9.988
   85    HA   PRO  10           HA       PRO  10  19.890   2.019  -5.225
   86    HB2  PRO  10           HB2      PRO  10  20.572   4.638  -5.430
   87    HB3  PRO  10           HB3      PRO  10  20.810   3.478  -6.742
   88    HG2  PRO  10           HG2      PRO  10  18.612   5.473  -6.354
   89    HG3  PRO  10           HG3      PRO  10  19.499   5.059  -7.832
   90    HD2  PRO  10           HD2      PRO  10  17.027   4.093  -7.298
   91    HD3  PRO  10           HD3      PRO  10  18.237   3.169  -8.210
   92    H    LEU  11           H        LEU  11  17.080   2.716  -4.110
   93    HA   LEU  11           HA       LEU  11  18.057   4.129  -1.716
   94    HB2  LEU  11           HB2      LEU  11  15.476   4.359  -3.204
   95    HB3  LEU  11           HB3      LEU  11  15.529   4.699  -1.475
   96    HG   LEU  11           HG       LEU  11  16.824   6.196  -3.729
   97   HD11  LEU  11          HD11      LEU  11  14.466   6.626  -2.711
   98   HD12  LEU  11          HD12      LEU  11  15.547   7.982  -3.033
   99   HD13  LEU  11          HD13      LEU  11  15.377   7.359  -1.391
  100   HD21  LEU  11          HD21      LEU  11  18.626   5.971  -2.217
  101   HD22  LEU  11          HD22      LEU  11  17.579   6.209  -0.817
  102   HD23  LEU  11          HD23      LEU  11  17.920   7.557  -1.902
  103    H    PHE  12           H        PHE  12  15.020   2.431  -2.405
  104    HA   PHE  12           HA       PHE  12  15.664   0.569  -0.214
  105    HB2  PHE  12           HB2      PHE  12  13.551   2.401  -0.344
  106    HB3  PHE  12           HB3      PHE  12  12.821   0.839  -0.697
  107    HD1  PHE  12           HD1      PHE  12  11.828  -0.095   1.137
  108    HD2  PHE  12           HD2      PHE  12  15.474   2.042   1.641
  109    HE1  PHE  12           HE1      PHE  12  11.804  -0.627   3.540
  110    HE2  PHE  12           HE2      PHE  12  15.456   1.513   4.043
  111    HZ   PHE  12           HZ       PHE  12  13.620   0.177   4.996
  112    H    GLY  13           H        GLY  13  14.661   0.963  -3.470
  113    HA2  GLY  13           HA2      GLY  13  13.310  -1.452  -3.929
  114    HA3  GLY  13           HA3      GLY  13  14.195  -0.537  -5.142
  115    H    LYS  14           H        LYS  14  16.558  -0.866  -5.216
  116    HA   LYS  14           HA       LYS  14  17.146  -3.703  -4.915
  117    HB2  LYS  14           HB2      LYS  14  19.037  -1.699  -6.101
  118    HB3  LYS  14           HB3      LYS  14  18.853  -3.406  -6.481
  119    HG2  LYS  14           HG2      LYS  14  16.694  -2.923  -7.543
  120    HG3  LYS  14           HG3      LYS  14  16.918  -1.208  -7.190
  121    HD2  LYS  14           HD2      LYS  14  17.582  -1.550  -9.450
  122    HD3  LYS  14           HD3      LYS  14  19.057  -1.323  -8.508
  123    HE2  LYS  14           HE2      LYS  14  19.283  -3.800  -8.393
  124    HE3  LYS  14           HE3      LYS  14  17.903  -3.933  -9.480
  125    HZ1  LYS  14           HZ1      LYS  14  20.224  -2.297 -10.253
  126    HZ2  LYS  14           HZ2      LYS  14  19.093  -3.078 -11.238
  127    HZ3  LYS  14           HZ3      LYS  14  20.283  -3.979 -10.440
  128    H    GLY  15           H        GLY  15  17.746  -0.769  -3.295
  129    HA2  GLY  15           HA2      GLY  15  20.292  -1.428  -2.168
  130    HA3  GLY  15           HA3      GLY  15  19.207  -0.159  -1.619
  131    H    GLY  16           H        GLY  16  16.971  -2.059  -1.267
  132    HA2  GLY  16           HA2      GLY  16  17.503  -2.748   1.448
  133    HA3  GLY  16           HA3      GLY  16  16.052  -3.148   0.541
  134    H1   LYS   1           H        LYS   1  17.655   3.878   6.624
  135    HA   LYS   1           HA       LYS   1  17.624   6.087   4.687
  136    HB2  LYS   1           HB2      LYS   1  19.213   3.889   4.717
  137    HB3  LYS   1           HB3      LYS   1  17.889   3.308   3.715
  138    HG2  LYS   1           HG2      LYS   1  18.426   4.650   1.988
  139    HG3  LYS   1           HG3      LYS   1  18.933   5.977   3.037
  140    HD2  LYS   1           HD2      LYS   1  20.682   3.670   3.263
  141    HD3  LYS   1           HD3      LYS   1  20.591   4.278   1.608
  142    HE2  LYS   1           HE2      LYS   1  22.373   5.436   2.647
  143    HE3  LYS   1           HE3      LYS   1  21.029   6.574   2.556
  144    HZ1  LYS   1           HZ1      LYS   1  21.866   6.802   4.704
  145    HZ2  LYS   1           HZ2      LYS   1  22.056   5.136   4.925
  146    HZ3  LYS   1           HZ3      LYS   1  20.507   5.815   4.908
  147    H    TYR   2           H        TYR   2  15.308   5.152   6.269
  148    HA   TYR   2           HA       TYR   2  13.565   4.349   4.031
  149    HB2  TYR   2           HB2      TYR   2  12.156   3.671   6.296
  150    HB3  TYR   2           HB3      TYR   2  13.083   2.555   5.299
  151    HD1  TYR   2           HD1      TYR   2  15.304   1.802   6.012
  152    HD2  TYR   2           HD2      TYR   2  12.948   4.356   8.466
  153    HE1  TYR   2           HE1      TYR   2  16.747   1.276   7.934
  154    HE2  TYR   2           HE2      TYR   2  14.384   3.839  10.394
  155    HH   TYR   2           HH       TYR   2  15.919   1.893  11.076
  156    H    GLU   3           H        GLU   3  13.489   5.956   7.215
  157    HA   GLU   3           HA       GLU   3  11.084   7.293   6.939
  158    HB2  GLU   3           HB2      GLU   3  12.090   8.982   8.535
  159    HB3  GLU   3           HB3      GLU   3  12.128   7.306   9.065
  160    HG2  GLU   3           HG2      GLU   3  14.524   7.597   7.750
  161    HG3  GLU   3           HG3      GLU   3  14.310   9.152   8.551
  162    H    ILE   4           H        ILE   4  14.330   8.397   6.010
  163    HA   ILE   4           HA       ILE   4  13.473  10.904   4.996
  164    HB   ILE   4           HB       ILE   4  15.784  10.594   5.631
  165   HG12  ILE   4          HG12      ILE   4  14.951  11.924   3.426
  166   HG13  ILE   4          HG13      ILE   4  16.608  11.962   4.018
  167   HG21  ILE   4          HG21      ILE   4  15.789   8.481   3.492
  168   HG22  ILE   4          HG22      ILE   4  17.268   9.189   4.140
  169   HG23  ILE   4          HG23      ILE   4  16.175   8.304   5.204
  170   HD11  ILE   4          HD11      ILE   4  16.233  11.527   1.537
  171   HD12  ILE   4          HD12      ILE   4  17.340  10.455   2.396
  172   HD13  ILE   4          HD13      ILE   4  15.701   9.918   2.026
  173    H    THR   5           H        THR   5  13.085   7.782   3.824
  174    HA   THR   5           HA       THR   5  13.048   8.585   1.015
  175    HB   THR   5           HB       THR   5  12.173   5.856   1.667
  176    HG1  THR   5           HG1      THR   5  14.430   5.264   2.121
  177   HG21  THR   5          HG21      THR   5  13.666   7.301  -0.380
  178   HG22  THR   5          HG22      THR   5  12.711   5.822  -0.508
  179   HG23  THR   5          HG23      THR   5  14.388   5.745   0.033
  180    H    THR   6           H        THR   6  10.926   8.090   3.663
  181    HA   THR   6           HA       THR   6   8.604   8.186   1.848
  182    HB   THR   6           HB       THR   6   8.303   6.184   2.990
  183    HG1  THR   6           HG1      THR   6   6.534   7.752   3.315
  184   HG21  THR   6          HG21      THR   6   9.842   5.866   4.616
  185   HG22  THR   6          HG22      THR   6   8.544   6.415   5.676
  186   HG23  THR   6          HG23      THR   6   9.785   7.548   5.142
  187    H    ILE   7           H        ILE   7  10.419   9.967   3.986
  188    HA   ILE   7           HA       ILE   7   8.128  11.650   4.757
  189    HB   ILE   7           HB       ILE   7  10.877  11.494   6.000
  190   HG12  ILE   7          HG12      ILE   7   8.179  10.699   7.117
  191   HG13  ILE   7          HG13      ILE   7   9.365   9.570   6.473
  192   HG21  ILE   7          HG21      ILE   7   8.515  13.263   6.565
  193   HG22  ILE   7          HG22      ILE   7   9.778  12.961   7.757
  194   HG23  ILE   7          HG23      ILE   7  10.180  13.731   6.223
  195   HD11  ILE   7          HD11      ILE   7  10.780  11.039   8.340
  196   HD12  ILE   7          HD12      ILE   7   9.199  10.790   9.082
  197   HD13  ILE   7          HD13      ILE   7  10.146   9.405   8.538
  198    H    HIS   8           H        HIS   8  10.829  11.469   2.733
  199    HA   HIS   8           HA       HIS   8  10.738  14.381   2.283
  200    HB2  HIS   8           HB2      HIS   8  12.985  12.684   2.845
  201    HB3  HIS   8           HB3      HIS   8  13.159  13.362   1.229
  202    HD1  HIS   8           HD1      HIS   8  14.529  15.405   1.308
  203    HD2  HIS   8           HD2      HIS   8  12.125  15.042   4.678
  204    HE1  HIS   8           HE1      HIS   8  15.004  17.447   2.696
  205    H    ASN   9           H        ASN   9   9.844  11.487   1.048
  206    HA   ASN   9           HA       ASN   9  10.519  11.996  -1.725
  207    HB2  ASN   9           HB2      ASN   9  10.554   9.702  -1.174
  208    HB3  ASN   9           HB3      ASN   9   9.027   9.801  -0.303
  209   HD21  ASN   9          HD21      ASN   9  10.541   9.180  -3.266
  210   HD22  ASN   9          HD22      ASN   9   9.119   8.966  -4.224
  211    H    LEU  10           H        LEU  10   7.467  11.510   0.063
  212    HA   LEU  10           HA       LEU  10   6.185  13.369  -1.831
  213    HB2  LEU  10           HB2      LEU  10   4.144  12.101  -1.650
  214    HB3  LEU  10           HB3      LEU  10   5.458  11.052  -2.176
  215    HG   LEU  10           HG       LEU  10   4.888  11.098   0.727
  216   HD11  LEU  10          HD11      LEU  10   3.004   9.923  -1.303
  217   HD12  LEU  10          HD12      LEU  10   2.634  11.080  -0.026
  218   HD13  LEU  10          HD13      LEU  10   3.060   9.419   0.386
  219   HD21  LEU  10          HD21      LEU  10   5.602   9.021  -1.331
  220   HD22  LEU  10          HD22      LEU  10   5.226   8.631   0.348
  221   HD23  LEU  10          HD23      LEU  10   6.610   9.656  -0.030
  222    H    PHE  11           H        PHE  11   7.115  12.887   1.312
  223    HA   PHE  11           HA       PHE  11   4.858  14.153   2.598
  224    HB2  PHE  11           HB2      PHE  11   7.317  12.807   3.442
  225    HB3  PHE  11           HB3      PHE  11   6.929  14.218   4.420
  226    HD1  PHE  11           HD1      PHE  11   6.435  13.020   6.419
  227    HD2  PHE  11           HD2      PHE  11   4.386  12.117   2.799
  228    HE1  PHE  11           HE1      PHE  11   4.795  11.690   7.683
  229    HE2  PHE  11           HE2      PHE  11   2.743  10.787   4.057
  230    HZ   PHE  11           HZ       PHE  11   2.944  10.573   6.502
  231    H    ARG  12           H        ARG  12   7.213  15.297   0.655
  232    HA   ARG  12           HA       ARG  12   8.244  17.532   2.000
  233    HB2  ARG  12           HB2      ARG  12   8.767  18.411  -0.226
  234    HB3  ARG  12           HB3      ARG  12   9.183  16.706  -0.102
  235    HG2  ARG  12           HG2      ARG  12   6.649  16.567  -1.072
  236    HG3  ARG  12           HG3      ARG  12   7.235  18.053  -1.822
  237    HD2  ARG  12           HD2      ARG  12   9.016  15.674  -1.857
  238    HD3  ARG  12           HD3      ARG  12   7.612  15.669  -2.924
  239    HE   ARG  12           HE       ARG  12   9.175  18.075  -3.089
  240   HH11  ARG  12          HH11      ARG  12   8.811  14.813  -4.253
  241   HH12  ARG  12          HH12      ARG  12   9.643  15.113  -5.742
  242   HH21  ARG  12          HH21      ARG  12  10.272  18.482  -5.046
  243   HH22  ARG  12          HH22      ARG  12  10.475  17.199  -6.192
  244    H    LYS  13           H        LYS  13   5.110  16.881   0.835
  245    HA   LYS  13           HA       LYS  13   4.388  19.726   0.808
  246    HB2  LYS  13           HB2      LYS  13   3.396  17.335  -0.550
  247    HB3  LYS  13           HB3      LYS  13   2.108  18.307   0.150
  248    HG2  LYS  13           HG2      LYS  13   4.054  19.927  -1.260
  249    HG3  LYS  13           HG3      LYS  13   3.322  18.699  -2.296
  250    HD2  LYS  13           HD2      LYS  13   1.111  19.482  -1.745
  251    HD3  LYS  13           HD3      LYS  13   1.766  20.612  -0.557
  252    HE2  LYS  13           HE2      LYS  13   1.543  22.062  -2.283
  253    HE3  LYS  13           HE3      LYS  13   3.130  21.422  -2.706
  254    HZ1  LYS  13           HZ1      LYS  13   1.795  19.708  -4.042
  255    HZ2  LYS  13           HZ2      LYS  13   1.948  21.270  -4.671
  256    HZ3  LYS  13           HZ3      LYS  13   0.512  20.801  -3.910
  257    H    LEU  14           H        LEU  14   2.571  16.828   1.781
  258    HA   LEU  14           HA       LEU  14   1.957  18.182   4.325
  259    HB2  LEU  14           HB2      LEU  14   0.201  16.406   2.641
  260    HB3  LEU  14           HB3      LEU  14  -0.202  16.935   4.273
  261    HG   LEU  14           HG       LEU  14   0.340  18.942   2.116
  262   HD11  LEU  14          HD11      LEU  14  -2.225  18.949   1.893
  263   HD12  LEU  14          HD12      LEU  14  -2.134  17.305   2.522
  264   HD13  LEU  14          HD13      LEU  14  -1.306  17.723   1.021
  265   HD21  LEU  14          HD21      LEU  14  -1.253  18.915   4.672
  266   HD22  LEU  14          HD22      LEU  14  -1.292  20.235   3.503
  267   HD23  LEU  14          HD23      LEU  14   0.215  19.830   4.326
  268    H    THR  15           H        THR  15   2.876  17.188   5.982
  269    HA   THR  15           HA       THR  15   3.669  14.402   5.780
  270    HB   THR  15           HB       THR  15   4.534  14.910   8.182
  271    HG1  THR  15           HG1      THR  15   3.241  17.052   7.947
  272   HG21  THR  15          HG21      THR  15   5.650  15.112   5.661
  273   HG22  THR  15          HG22      THR  15   6.529  15.120   7.189
  274   HG23  THR  15          HG23      THR  15   6.075  16.643   6.424
  275    H    HIS  16           H        HIS  16   1.983  13.041   6.042
  276    HA   HIS  16           HA       HIS  16   0.096  13.512   8.230
  277    HB2  HIS  16           HB2      HIS  16   0.013  11.467   6.002
  278    HB3  HIS  16           HB3      HIS  16  -1.260  11.752   7.185
  279    HD1  HIS  16           HD1      HIS  16  -1.937  14.543   7.138
  280    HD2  HIS  16           HD2      HIS  16  -0.605  12.669   3.677
  281    HE1  HIS  16           HE1      HIS  16  -2.744  15.983   5.241
  282    H    ARG  17           H        ARG  17  -0.045  10.320   7.564
  283    HA   ARG  17           HA       ARG  17   1.862   9.617   9.699
  284    HB2  ARG  17           HB2      ARG  17  -0.791   8.262   9.208
  285    HB3  ARG  17           HB3      ARG  17   0.308   7.997  10.554
  286    HG2  ARG  17           HG2      ARG  17  -1.210   9.342  11.572
  287    HG3  ARG  17           HG3      ARG  17  -0.118  10.577  10.941
  288    HD2  ARG  17           HD2      ARG  17  -1.650  11.363   9.503
  289    HD3  ARG  17           HD3      ARG  17  -2.197   9.747   9.057
  290    HE   ARG  17           HE       ARG  17  -3.337  11.477  11.054
  291   HH11  ARG  17          HH11      ARG  17  -2.985   8.190   9.963
  292   HH12  ARG  17          HH12      ARG  17  -4.426   7.637  10.749
  293   HH21  ARG  17          HH21      ARG  17  -5.238  10.761  12.092
  294   HH22  ARG  17          HH22      ARG  17  -5.707   9.100  11.959
  295    H    LEU  18           H        LEU  18   1.190   9.294   6.504
  296    HA   LEU  18           HA       LEU  18   1.395   6.637   5.837
  297    HB2  LEU  18           HB2      LEU  18   2.897   8.799   4.387
  298    HB3  LEU  18           HB3      LEU  18   2.216   7.316   3.722
  299    HG   LEU  18           HG       LEU  18   0.699   9.743   4.672
  300   HD11  LEU  18          HD11      LEU  18   0.984  10.425   2.581
  301   HD12  LEU  18          HD12      LEU  18   0.012   9.049   2.060
  302   HD13  LEU  18          HD13      LEU  18   1.769   8.911   2.131
  303   HD21  LEU  18          HD21      LEU  18  -0.163   6.965   4.078
  304   HD22  LEU  18          HD22      LEU  18  -1.189   8.287   3.521
  305   HD23  LEU  18          HD23      LEU  18  -0.807   8.128   5.236
  306    H    PHE  19           H        PHE  19   3.801   8.686   7.232
  307    HA   PHE  19           HA       PHE  19   6.181   7.552   6.496
  308    HB2  PHE  19           HB2      PHE  19   6.275   9.425   7.932
  309    HB3  PHE  19           HB3      PHE  19   5.263   8.649   9.146
  310    HD1  PHE  19           HD1      PHE  19   8.231   7.279   7.390
  311    HD2  PHE  19           HD2      PHE  19   6.584   8.673  11.059
  312    HE1  PHE  19           HE1      PHE  19  10.248   6.521   8.579
  313    HE2  PHE  19           HE2      PHE  19   8.598   7.919  12.253
  314    HZ   PHE  19           HZ       PHE  19  10.434   6.842  11.013
  315    H    ARG  20           H        ARG  20   4.337   6.567   9.390
  316    HA   ARG  20           HA       ARG  20   5.614   3.923   9.188
  317    HB2  ARG  20           HB2      ARG  20   4.918   3.705  11.612
  318    HB3  ARG  20           HB3      ARG  20   6.163   4.900  11.278
  319    HG2  ARG  20           HG2      ARG  20   4.933   6.512  12.165
  320    HG3  ARG  20           HG3      ARG  20   3.568   6.112  11.120
  321    HD2  ARG  20           HD2      ARG  20   4.254   4.854  13.772
  322    HD3  ARG  20           HD3      ARG  20   2.893   5.920  13.427
  323    HE   ARG  20           HE       ARG  20   2.507   3.867  11.715
  324   HH11  ARG  20          HH11      ARG  20   3.088   4.033  15.143
  325   HH12  ARG  20          HH12      ARG  20   2.188   2.596  15.497
  326   HH21  ARG  20          HH21      ARG  20   1.319   1.974  12.168
  327   HH22  ARG  20          HH22      ARG  20   1.183   1.425  13.804
  328    H    ARG  21           H        ARG  21   2.570   5.621   9.384
  329    HA   ARG  21           HA       ARG  21   0.900   3.397   9.877
  330    HB2  ARG  21           HB2      ARG  21   0.431   5.996   9.905
  331    HB3  ARG  21           HB3      ARG  21  -0.057   5.706   8.241
  332    HG2  ARG  21           HG2      ARG  21  -2.043   5.058   8.961
  333    HG3  ARG  21           HG3      ARG  21  -1.281   3.711   9.809
  334    HD2  ARG  21           HD2      ARG  21  -0.758   5.700  11.540
  335    HD3  ARG  21           HD3      ARG  21  -2.261   6.299  10.840
  336    HE   ARG  21           HE       ARG  21  -2.656   3.627  11.508
  337   HH11  ARG  21          HH11      ARG  21  -1.997   6.649  13.105
  338   HH12  ARG  21          HH12      ARG  21  -2.808   6.202  14.570
  339   HH21  ARG  21          HH21      ARG  21  -3.727   3.026  13.430
  340   HH22  ARG  21          HH22      ARG  21  -3.791   4.140  14.754
  341    H    ASN  22           H        ASN  22   2.656   4.351   7.123
  342    HA   ASN  22           HA       ASN  22   1.136   2.441   5.472
  343    HB2  ASN  22           HB2      ASN  22   1.021   4.959   4.849
  344    HB3  ASN  22           HB3      ASN  22   2.673   4.735   4.281
  345   HD21  ASN  22          HD21      ASN  22   3.043   3.142   2.627
  346   HD22  ASN  22          HD22      ASN  22   1.791   2.778   1.495
  347    H    PHE  23           H        PHE  23   4.298   4.092   5.617
  348    HA   PHE  23           HA       PHE  23   5.576   1.760   4.438
  349    HB2  PHE  23           HB2      PHE  23   6.585   4.511   5.161
  350    HB3  PHE  23           HB3      PHE  23   7.641   3.231   4.573
  351    HD1  PHE  23           HD1      PHE  23   7.204   2.261   2.291
  352    HD2  PHE  23           HD2      PHE  23   5.327   5.817   3.683
  353    HE1  PHE  23           HE1      PHE  23   6.666   2.880  -0.029
  354    HE2  PHE  23           HE2      PHE  23   4.785   6.441   1.366
  355    HZ   PHE  23           HZ       PHE  23   5.452   4.972  -0.493
  356    H    GLY  24           H        GLY  24   4.488   2.159   7.343
  357    HA2  GLY  24           HA2      GLY  24   6.952   1.373   8.758
  358    HA3  GLY  24           HA3      GLY  24   5.509   2.021   9.524
  359    H    TYR  25           H        TYR  25   4.279   0.003   7.331
  360    HA   TYR  25           HA       TYR  25   4.013  -2.146   9.291
  361    HB2  TYR  25           HB2      TYR  25   2.267  -0.941   7.385
  362    HB3  TYR  25           HB3      TYR  25   2.444  -2.641   6.966
  363    HD1  TYR  25           HD1      TYR  25   1.199  -0.268   9.455
  364    HD2  TYR  25           HD2      TYR  25   1.667  -4.384   8.482
  365    HE1  TYR  25           HE1      TYR  25  -0.411  -0.862  11.217
  366    HE2  TYR  25           HE2      TYR  25   0.056  -4.989  10.240
  367    HH   TYR  25           HH       TYR  25  -1.135  -4.242  11.982
  368    H    THR  26           H        THR  26   5.985  -1.435   6.756
  369    HA   THR  26           HA       THR  26   6.145  -4.159   5.713
  370    HB   THR  26           HB       THR  26   7.106  -1.509   4.789
  371    HG1  THR  26           HG1      THR  26   5.674  -2.128   3.366
  372   HG21  THR  26          HG21      THR  26   9.222  -2.673   4.969
  373   HG22  THR  26          HG22      THR  26   8.755  -2.567   3.271
  374   HG23  THR  26          HG23      THR  26   8.551  -4.082   4.149
  375    H    LEU  27           H        LEU  27   8.324  -1.722   7.135
  376    HA   LEU  27           HA       LEU  27  10.494  -3.524   7.456
  377    HB2  LEU  27           HB2      LEU  27  11.609  -1.782   8.539
  378    HB3  LEU  27           HB3      LEU  27  10.570  -0.988   7.357
  379    HG   LEU  27           HG       LEU  27  10.419   0.336   9.279
  380   HD11  LEU  27          HD11      LEU  27   8.067  -1.549   9.379
  381   HD12  LEU  27          HD12      LEU  27   8.241  -0.175   8.286
  382   HD13  LEU  27          HD13      LEU  27   8.116   0.092  10.024
  383   HD21  LEU  27          HD21      LEU  27  10.591  -0.361  11.420
  384   HD22  LEU  27          HD22      LEU  27  11.302  -1.788  10.665
  385   HD23  LEU  27          HD23      LEU  27   9.605  -1.798  11.148
  386    H    ARG  28           H        ARG  28   7.582  -3.504   8.954
  387    HA   ARG  28           HA       ARG  28   8.535  -4.168  11.622
  388    HB2  ARG  28           HB2      ARG  28   6.092  -3.197  10.511
  389    HB3  ARG  28           HB3      ARG  28   5.758  -4.715  11.333
  390    HG2  ARG  28           HG2      ARG  28   7.009  -3.744  13.316
  391    HG3  ARG  28           HG3      ARG  28   6.911  -2.194  12.477
  392    HD2  ARG  28           HD2      ARG  28   4.333  -3.191  12.344
  393    HD3  ARG  28           HD3      ARG  28   4.878  -3.642  13.960
  394    HE   ARG  28           HE       ARG  28   4.241  -1.020  13.037
  395   HH11  ARG  28          HH11      ARG  28   6.283  -2.804  15.221
  396   HH12  ARG  28          HH12      ARG  28   6.477  -1.482  16.325
  397   HH21  ARG  28          HH21      ARG  28   4.489   0.726  14.482
  398   HH22  ARG  28          HH22      ARG  28   5.456   0.524  15.904
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1   1.586  -2.396  -1.722
    2    HA   VAL   1           HA       VAL   1   2.290  -0.636  -2.985
    3    HB   VAL   1           HB       VAL   1   1.132   1.086  -0.790
    4   HG11  VAL   1          HG11      VAL   1   1.801   1.572  -3.681
    5   HG12  VAL   1          HG12      VAL   1   0.696   2.608  -2.775
    6   HG13  VAL   1          HG13      VAL   1   2.375   2.444  -2.261
    7   HG21  VAL   1          HG21      VAL   1  -0.681  -0.232  -1.308
    8   HG22  VAL   1          HG22      VAL   1  -0.857   1.062  -2.493
    9   HG23  VAL   1          HG23      VAL   1  -0.160  -0.486  -2.973
   10    H    ALA   2           H        ALA   2   4.472  -0.686  -2.992
   11    HA   ALA   2           HA       ALA   2   5.859   0.820  -0.870
   12    HB1  ALA   2           HB1      ALA   2   7.767  -0.628  -1.123
   13    HB2  ALA   2           HB2      ALA   2   6.334  -1.607  -0.813
   14    HB3  ALA   2           HB3      ALA   2   6.984  -1.489  -2.449
   15    H    ARG   3           H        ARG   3   5.378   2.665  -2.332
   16    HA   ARG   3           HA       ARG   3   7.256   2.789  -4.597
   17    HB2  ARG   3           HB2      ARG   3   5.770   4.829  -5.214
   18    HB3  ARG   3           HB3      ARG   3   5.168   3.206  -5.524
   19    HG2  ARG   3           HG2      ARG   3   3.819   3.290  -3.514
   20    HG3  ARG   3           HG3      ARG   3   4.468   4.884  -3.124
   21    HD2  ARG   3           HD2      ARG   3   2.366   5.280  -4.112
   22    HD3  ARG   3           HD3      ARG   3   3.554   5.645  -5.363
   23    HE   ARG   3           HE       ARG   3   2.906   3.031  -5.788
   24   HH11  ARG   3          HH11      ARG   3   1.102   5.999  -5.548
   25   HH12  ARG   3          HH12      ARG   3  -0.149   5.478  -6.628
   26   HH21  ARG   3          HH21      ARG   3   1.265   2.335  -7.211
   27   HH22  ARG   3          HH22      ARG   3  -0.056   3.393  -7.572
   28    H    GLY   4           H        GLY   4   6.439   4.101  -1.524
   29    HA2  GLY   4           HA2      GLY   4   7.801   6.604  -1.832
   30    HA3  GLY   4           HA3      GLY   4   7.251   5.895  -0.321
   31    H    TRP   5           H        TRP   5   8.904   3.445  -1.481
   32    HA   TRP   5           HA       TRP   5  11.477   4.404  -0.407
   33    HB2  TRP   5           HB2      TRP   5  10.000   1.827   0.004
   34    HB3  TRP   5           HB3      TRP   5  11.756   1.860   0.133
   35    HD1  TRP   5           HD1      TRP   5  10.556   5.083   1.366
   36    HE1  TRP   5           HE1      TRP   5  10.429   5.106   3.937
   37    HE3  TRP   5           HE3      TRP   5  10.980   0.065   2.245
   38    HZ2  TRP   5           HZ2      TRP   5  10.499   3.244   6.057
   39    HZ3  TRP   5           HZ3      TRP   5  10.941  -0.732   4.573
   40    HH2  TRP   5           HH2      TRP   5  10.707   0.826   6.438
   41    H    LYS   6           H        LYS   6   9.861   3.074  -3.067
   42    HA   LYS   6           HA       LYS   6  12.428   2.334  -4.310
   43    HB2  LYS   6           HB2      LYS   6   9.683   1.157  -4.759
   44    HB3  LYS   6           HB3      LYS   6  11.067   0.825  -5.791
   45    HG2  LYS   6           HG2      LYS   6  11.937  -0.641  -4.350
   46    HG3  LYS   6           HG3      LYS   6  11.594   0.385  -2.954
   47    HD2  LYS   6           HD2      LYS   6   9.379  -0.416  -2.786
   48    HD3  LYS   6           HD3      LYS   6   9.446  -1.159  -4.387
   49    HE2  LYS   6           HE2      LYS   6  11.475  -2.102  -2.479
   50    HE3  LYS   6           HE3      LYS   6   9.809  -2.493  -2.053
   51    HZ1  LYS   6           HZ1      LYS   6  11.127  -3.132  -4.638
   52    HZ2  LYS   6           HZ2      LYS   6   9.530  -3.510  -4.226
   53    HZ3  LYS   6           HZ3      LYS   6  10.812  -4.234  -3.393
   54    H    ARG   7           H        ARG   7   9.123   3.413  -5.105
   55    HA   ARG   7           HA       ARG   7   9.697   4.363  -7.672
   56    HB2  ARG   7           HB2      ARG   7   7.424   4.033  -6.358
   57    HB3  ARG   7           HB3      ARG   7   7.642   5.742  -6.001
   58    HG2  ARG   7           HG2      ARG   7   6.541   6.064  -7.916
   59    HG3  ARG   7           HG3      ARG   7   8.088   5.695  -8.680
   60    HD2  ARG   7           HD2      ARG   7   7.458   3.392  -8.964
   61    HD3  ARG   7           HD3      ARG   7   5.977   3.642  -8.039
   62    HE   ARG   7           HE       ARG   7   5.834   5.410 -10.133
   63   HH11  ARG   7          HH11      ARG   7   6.158   1.963  -9.782
   64   HH12  ARG   7          HH12      ARG   7   5.336   1.603 -11.264
   65   HH21  ARG   7          HH21      ARG   7   4.749   4.950 -12.086
   66   HH22  ARG   7          HH22      ARG   7   4.536   3.303 -12.574
   67    H    LYS   8           H        LYS   8   9.413   6.199  -4.626
   68    HA   LYS   8           HA       LYS   8  10.150   8.687  -5.643
   69    HB2  LYS   8           HB2      LYS   8  10.123   7.433  -2.947
   70    HB3  LYS   8           HB3      LYS   8  11.050   8.915  -3.135
   71    HG2  LYS   8           HG2      LYS   8   8.748   9.302  -2.350
   72    HG3  LYS   8           HG3      LYS   8   9.097  10.104  -3.883
   73    HD2  LYS   8           HD2      LYS   8   7.968   7.378  -4.059
   74    HD3  LYS   8           HD3      LYS   8   6.888   8.632  -3.445
   75    HE2  LYS   8           HE2      LYS   8   8.352   9.565  -5.748
   76    HE3  LYS   8           HE3      LYS   8   7.493   8.070  -6.114
   77    HZ1  LYS   8           HZ1      LYS   8   6.384  10.497  -6.217
   78    HZ2  LYS   8           HZ2      LYS   8   5.965  10.041  -4.643
   79    HZ3  LYS   8           HZ3      LYS   8   5.509   9.073  -5.953
   80    H    CYS   9           H        CYS   9  12.283   6.868  -3.464
   81    HA   CYS   9           HA       CYS   9  14.542   7.597  -5.212
   82    HB2  CYS   9           HB2      CYS   9  14.420   8.849  -3.020
   83    HB3  CYS   9           HB3      CYS   9  14.674   7.310  -2.207
   84    HG   CYS   9           HG       CYS   9  17.008   9.097  -2.499
   85    HA   PRO  10           HA       PRO  10  14.911   3.142  -5.362
   86    HB2  PRO  10           HB2      PRO  10  16.948   3.122  -7.156
   87    HB3  PRO  10           HB3      PRO  10  15.263   3.391  -7.619
   88    HG2  PRO  10           HG2      PRO  10  17.453   5.387  -7.189
   89    HG3  PRO  10           HG3      PRO  10  16.233   5.324  -8.475
   90    HD2  PRO  10           HD2      PRO  10  16.009   6.968  -6.336
   91    HD3  PRO  10           HD3      PRO  10  14.599   6.257  -7.145
   92    H    LEU  11           H        LEU  11  16.124   4.624  -3.189
   93    HA   LEU  11           HA       LEU  11  18.818   3.462  -3.065
   94    HB2  LEU  11           HB2      LEU  11  19.395   5.071  -1.518
   95    HB3  LEU  11           HB3      LEU  11  18.297   5.944  -2.585
   96    HG   LEU  11           HG       LEU  11  17.724   6.621  -0.414
   97   HD11  LEU  11          HD11      LEU  11  15.475   5.997  -0.220
   98   HD12  LEU  11          HD12      LEU  11  15.770   4.391  -0.884
   99   HD13  LEU  11          HD13      LEU  11  15.845   5.807  -1.934
  100   HD21  LEU  11          HD21      LEU  11  17.199   3.956   0.716
  101   HD22  LEU  11          HD22      LEU  11  17.900   5.391   1.463
  102   HD23  LEU  11          HD23      LEU  11  18.899   4.347   0.452
  103    H    PHE  12           H        PHE  12  15.701   2.785  -2.157
  104    HA   PHE  12           HA       PHE  12  16.616   1.146   0.115
  105    HB2  PHE  12           HB2      PHE  12  14.825   3.140   0.351
  106    HB3  PHE  12           HB3      PHE  12  13.736   1.829  -0.089
  107    HD1  PHE  12           HD1      PHE  12  16.073   3.083   2.434
  108    HD2  PHE  12           HD2      PHE  12  13.340  -0.013   1.404
  109    HE1  PHE  12           HE1      PHE  12  16.087   2.299   4.767
  110    HE2  PHE  12           HE2      PHE  12  13.349  -0.802   3.734
  111    HZ   PHE  12           HZ       PHE  12  14.724   0.355   5.419
  112    H    GLY  13           H        GLY  13  15.151   1.218  -2.964
  113    HA2  GLY  13           HA2      GLY  13  13.775  -1.313  -2.706
  114    HA3  GLY  13           HA3      GLY  13  13.957  -0.367  -4.175
  115    H    LYS  14           H        LYS  14  16.351  -0.262  -4.935
  116    HA   LYS  14           HA       LYS  14  17.133  -2.926  -5.535
  117    HB2  LYS  14           HB2      LYS  14  18.845  -1.966  -6.872
  118    HB3  LYS  14           HB3      LYS  14  17.455  -0.898  -7.010
  119    HG2  LYS  14           HG2      LYS  14  18.589   0.419  -5.090
  120    HG3  LYS  14           HG3      LYS  14  20.039  -0.462  -5.577
  121    HD2  LYS  14           HD2      LYS  14  19.271   0.358  -7.980
  122    HD3  LYS  14           HD3      LYS  14  18.497   1.626  -7.027
  123    HE2  LYS  14           HE2      LYS  14  20.635   2.452  -7.591
  124    HE3  LYS  14           HE3      LYS  14  20.738   1.961  -5.900
  125    HZ1  LYS  14           HZ1      LYS  14  21.499  -0.279  -7.101
  126    HZ2  LYS  14           HZ2      LYS  14  22.583   0.932  -6.634
  127    HZ3  LYS  14           HZ3      LYS  14  22.053   0.845  -8.238
  128    H    GLY  15           H        GLY  15  18.138  -0.577  -3.156
  129    HA2  GLY  15           HA2      GLY  15  20.573  -1.929  -2.453
  130    HA3  GLY  15           HA3      GLY  15  19.810  -0.622  -1.560
  131    H    GLY  16           H        GLY  16  17.988  -1.169  -0.165
  132    HA2  GLY  16           HA2      GLY  16  18.419  -3.800   1.060
  133    HA3  GLY  16           HA3      GLY  16  17.667  -2.414   1.836
  134    H1   LYS   1           H        LYS   1  18.528   3.219   5.723
  135    HA   LYS   1           HA       LYS   1  17.534   5.770   6.812
  136    HB2  LYS   1           HB2      LYS   1  18.572   5.224   4.026
  137    HB3  LYS   1           HB3      LYS   1  18.097   6.787   4.677
  138    HG2  LYS   1           HG2      LYS   1  20.417   5.106   5.603
  139    HG3  LYS   1           HG3      LYS   1  20.509   6.574   4.627
  140    HD2  LYS   1           HD2      LYS   1  19.110   7.529   6.694
  141    HD3  LYS   1           HD3      LYS   1  19.981   6.238   7.525
  142    HE2  LYS   1           HE2      LYS   1  21.925   7.345   7.429
  143    HE3  LYS   1           HE3      LYS   1  21.677   7.806   5.745
  144    HZ1  LYS   1           HZ1      LYS   1  21.778   9.720   7.254
  145    HZ2  LYS   1           HZ2      LYS   1  20.408   9.151   8.069
  146    HZ3  LYS   1           HZ3      LYS   1  20.293   9.623   6.449
  147    H    TYR   2           H        TYR   2  15.411   5.091   7.146
  148    HA   TYR   2           HA       TYR   2  13.905   4.409   4.708
  149    HB2  TYR   2           HB2      TYR   2  12.250   3.778   6.831
  150    HB3  TYR   2           HB3      TYR   2  13.214   2.637   5.899
  151    HD1  TYR   2           HD1      TYR   2  15.251   1.692   6.810
  152    HD2  TYR   2           HD2      TYR   2  12.968   4.502   9.045
  153    HE1  TYR   2           HE1      TYR   2  16.503   1.088   8.839
  154    HE2  TYR   2           HE2      TYR   2  14.215   3.906  11.080
  155    HH   TYR   2           HH       TYR   2  16.812   2.783  11.384
  156    H    GLU   3           H        GLU   3  13.533   6.042   7.855
  157    HA   GLU   3           HA       GLU   3  11.192   7.414   7.344
  158    HB2  GLU   3           HB2      GLU   3  12.022   9.083   9.020
  159    HB3  GLU   3           HB3      GLU   3  12.100   7.412   9.555
  160    HG2  GLU   3           HG2      GLU   3  14.511   7.402   8.889
  161    HG3  GLU   3           HG3      GLU   3  14.372   9.138   8.612
  162    H    ILE   4           H        ILE   4  14.525   8.448   6.685
  163    HA   ILE   4           HA       ILE   4  13.792  10.950   5.555
  164    HB   ILE   4           HB       ILE   4  16.338   9.423   5.023
  165   HG12  ILE   4          HG12      ILE   4  16.904  11.281   6.980
  166   HG13  ILE   4          HG13      ILE   4  15.328  10.672   7.472
  167   HG21  ILE   4          HG21      ILE   4  17.208  11.833   4.927
  168   HG22  ILE   4          HG22      ILE   4  16.257  11.243   3.565
  169   HG23  ILE   4          HG23      ILE   4  15.513  12.294   4.771
  170   HD11  ILE   4          HD11      ILE   4  16.602   9.151   8.535
  171   HD12  ILE   4          HD12      ILE   4  16.552   8.353   6.963
  172   HD13  ILE   4          HD13      ILE   4  17.950   9.330   7.411
  173    H    THR   5           H        THR   5  13.300   7.879   4.439
  174    HA   THR   5           HA       THR   5  13.624   8.591   1.612
  175    HB   THR   5           HB       THR   5  12.991   5.916   2.875
  176    HG1  THR   5           HG1      THR   5  15.143   5.440   2.276
  177   HG21  THR   5          HG21      THR   5  12.022   6.136   0.631
  178   HG22  THR   5          HG22      THR   5  13.364   4.991   0.642
  179   HG23  THR   5          HG23      THR   5  13.596   6.616  -0.000
  180    H    THR   6           H        THR   6  11.242   8.175   4.055
  181    HA   THR   6           HA       THR   6   9.119   8.403   2.021
  182    HB   THR   6           HB       THR   6   8.846   6.269   3.062
  183    HG1  THR   6           HG1      THR   6   6.989   7.923   2.980
  184   HG21  THR   6          HG21      THR   6  10.248   6.823   5.074
  185   HG22  THR   6          HG22      THR   6   8.788   5.894   5.420
  186   HG23  THR   6          HG23      THR   6   8.833   7.625   5.754
  187    H    ILE   7           H        ILE   7  10.767  10.075   4.292
  188    HA   ILE   7           HA       ILE   7   8.431  11.733   4.986
  189    HB   ILE   7           HB       ILE   7   9.973  10.502   6.810
  190   HG12  ILE   7          HG12      ILE   7   9.342  12.552   8.315
  191   HG13  ILE   7          HG13      ILE   7   8.522  13.128   6.867
  192   HG21  ILE   7          HG21      ILE   7  11.686  11.874   7.671
  193   HG22  ILE   7          HG22      ILE   7  11.955  11.813   5.930
  194   HG23  ILE   7          HG23      ILE   7  11.211  13.237   6.657
  195   HD11  ILE   7          HD11      ILE   7   7.195  11.077   6.813
  196   HD12  ILE   7          HD12      ILE   7   8.005  10.522   8.279
  197   HD13  ILE   7          HD13      ILE   7   6.986  11.961   8.324
  198    H    HIS   8           H        HIS   8  11.385  11.585   3.341
  199    HA   HIS   8           HA       HIS   8  11.398  14.515   3.045
  200    HB2  HIS   8           HB2      HIS   8  13.513  12.792   3.950
  201    HB3  HIS   8           HB3      HIS   8  13.983  13.555   2.434
  202    HD1  HIS   8           HD1      HIS   8  14.108  14.112   5.941
  203    HD2  HIS   8           HD2      HIS   8  13.475  16.535   2.627
  204    HE1  HIS   8           HE1      HIS   8  14.586  16.455   6.720
  205    H    ASN   9           H        ASN   9  10.563  11.829   1.532
  206    HA   ASN   9           HA       ASN   9  11.769  12.493  -1.055
  207    HB2  ASN   9           HB2      ASN   9  10.391  10.060   0.036
  208    HB3  ASN   9           HB3      ASN   9  10.491  10.308  -1.705
  209   HD21  ASN   9          HD21      ASN   9  12.858  11.167   0.758
  210   HD22  ASN   9          HD22      ASN   9  14.110  10.128   0.176
  211    H    LEU  10           H        LEU  10   8.559  11.697   0.281
  212    HA   LEU  10           HA       LEU  10   7.382  13.447  -1.779
  213    HB2  LEU  10           HB2      LEU  10   5.580  12.015  -2.052
  214    HB3  LEU  10           HB3      LEU  10   6.957  10.923  -1.923
  215    HG   LEU  10           HG       LEU  10   5.099  11.559   0.364
  216   HD11  LEU  10          HD11      LEU  10   3.918   9.574  -0.077
  217   HD12  LEU  10          HD12      LEU  10   5.093   9.045  -1.281
  218   HD13  LEU  10          HD13      LEU  10   4.027  10.407  -1.628
  219   HD21  LEU  10          HD21      LEU  10   6.109   9.354   1.170
  220   HD22  LEU  10          HD22      LEU  10   7.128  10.792   1.244
  221   HD23  LEU  10          HD23      LEU  10   7.350   9.617  -0.054
  222    H    PHE  11           H        PHE  11   7.961  13.073   1.465
  223    HA   PHE  11           HA       PHE  11   5.493  14.133   2.487
  224    HB2  PHE  11           HB2      PHE  11   7.762  12.872   3.579
  225    HB3  PHE  11           HB3      PHE  11   7.711  14.479   4.294
  226    HD1  PHE  11           HD1      PHE  11   6.922  14.255   6.445
  227    HD2  PHE  11           HD2      PHE  11   4.985  12.145   3.297
  228    HE1  PHE  11           HE1      PHE  11   5.192  13.497   8.023
  229    HE2  PHE  11           HE2      PHE  11   3.251  11.385   4.869
  230    HZ   PHE  11           HZ       PHE  11   3.353  12.062   7.235
  231    H    ARG  12           H        ARG  12   7.800  15.509   0.664
  232    HA   ARG  12           HA       ARG  12   8.642  17.834   1.841
  233    HB2  ARG  12           HB2      ARG  12   7.814  17.222  -0.982
  234    HB3  ARG  12           HB3      ARG  12   8.360  18.831  -0.532
  235    HG2  ARG  12           HG2      ARG  12  10.497  17.956   0.167
  236    HG3  ARG  12           HG3      ARG  12   9.954  16.307  -0.146
  237    HD2  ARG  12           HD2      ARG  12  10.141  16.527  -2.403
  238    HD3  ARG  12           HD3      ARG  12   9.755  18.247  -2.376
  239    HE   ARG  12           HE       ARG  12  12.349  17.082  -2.316
  240   HH11  ARG  12          HH11      ARG  12  10.481  19.779  -1.149
  241   HH12  ARG  12          HH12      ARG  12  11.851  20.828  -0.995
  242   HH21  ARG  12          HH21      ARG  12  14.160  18.456  -2.119
  243   HH22  ARG  12          HH22      ARG  12  13.943  20.075  -1.548
  244    H    LYS  13           H        LYS  13   5.824  17.814  -0.338
  245    HA   LYS  13           HA       LYS  13   4.545  19.776   1.453
  246    HB2  LYS  13           HB2      LYS  13   4.953  19.791  -1.485
  247    HB3  LYS  13           HB3      LYS  13   3.389  20.355  -0.909
  248    HG2  LYS  13           HG2      LYS  13   4.340  22.127   0.287
  249    HG3  LYS  13           HG3      LYS  13   5.958  21.424   0.209
  250    HD2  LYS  13           HD2      LYS  13   4.548  22.136  -2.324
  251    HD3  LYS  13           HD3      LYS  13   5.292  23.414  -1.361
  252    HE2  LYS  13           HE2      LYS  13   7.428  22.188  -1.435
  253    HE3  LYS  13           HE3      LYS  13   6.671  20.962  -2.451
  254    HZ1  LYS  13           HZ1      LYS  13   7.904  23.281  -3.283
  255    HZ2  LYS  13           HZ2      LYS  13   6.253  23.553  -3.524
  256    HZ3  LYS  13           HZ3      LYS  13   7.001  22.212  -4.233
  257    H    LEU  14           H        LEU  14   4.377  16.704   0.293
  258    HA   LEU  14           HA       LEU  14   1.442  16.637   0.543
  259    HB2  LEU  14           HB2      LEU  14   3.228  14.851  -1.102
  260    HB3  LEU  14           HB3      LEU  14   1.492  14.628  -0.891
  261    HG   LEU  14           HG       LEU  14   2.250  17.264  -1.926
  262   HD11  LEU  14          HD11      LEU  14   2.988  14.747  -3.372
  263   HD12  LEU  14          HD12      LEU  14   3.916  16.234  -3.178
  264   HD13  LEU  14          HD13      LEU  14   2.520  16.200  -4.255
  265   HD21  LEU  14          HD21      LEU  14   0.349  15.172  -2.970
  266   HD22  LEU  14          HD22      LEU  14   0.364  16.894  -3.350
  267   HD23  LEU  14          HD23      LEU  14  -0.062  16.352  -1.726
  268    H    THR  15           H        THR  15   0.853  15.766   2.407
  269    HA   THR  15           HA       THR  15   2.637  13.991   3.848
  270    HB   THR  15           HB       THR  15   0.480  14.020   5.427
  271    HG1  THR  15           HG1      THR  15  -0.895  15.555   4.934
  272   HG21  THR  15          HG21      THR  15   2.948  15.224   5.428
  273   HG22  THR  15          HG22      THR  15   1.782  15.283   6.751
  274   HG23  THR  15          HG23      THR  15   1.852  16.597   5.578
  275    H    HIS  16           H        HIS  16   2.674  11.957   3.086
  276    HA   HIS  16           HA       HIS  16   0.118  10.646   2.460
  277    HB2  HIS  16           HB2      HIS  16   2.957  10.018   1.649
  278    HB3  HIS  16           HB3      HIS  16   1.623   8.899   1.385
  279    HD1  HIS  16           HD1      HIS  16   0.719   9.052  -0.898
  280    HD2  HIS  16           HD2      HIS  16   2.186  12.710   0.415
  281    HE1  HIS  16           HE1      HIS  16   0.376  10.642  -2.816
  282    H    ARG  17           H        ARG  17  -0.687   9.226   3.851
  283    HA   ARG  17           HA       ARG  17   0.595   8.576   6.277
  284    HB2  ARG  17           HB2      ARG  17  -1.298   6.962   6.563
  285    HB3  ARG  17           HB3      ARG  17  -1.798   8.607   6.193
  286    HG2  ARG  17           HG2      ARG  17  -1.467   7.031   3.791
  287    HG3  ARG  17           HG3      ARG  17  -2.612   6.293   4.911
  288    HD2  ARG  17           HD2      ARG  17  -3.873   8.367   5.021
  289    HD3  ARG  17           HD3      ARG  17  -2.701   9.156   3.968
  290    HE   ARG  17           HE       ARG  17  -4.857   7.467   3.171
  291   HH11  ARG  17          HH11      ARG  17  -1.626   8.466   2.345
  292   HH12  ARG  17          HH12      ARG  17  -1.813   8.125   0.656
  293   HH21  ARG  17          HH21      ARG  17  -5.115   7.015   0.951
  294   HH22  ARG  17          HH22      ARG  17  -3.798   7.302  -0.136
  295    H    LEU  18           H        LEU  18   0.994   7.323   3.178
  296    HA   LEU  18           HA       LEU  18   1.351   4.618   3.464
  297    HB2  LEU  18           HB2      LEU  18   2.418   4.679   1.469
  298    HB3  LEU  18           HB3      LEU  18   1.739   6.305   1.456
  299    HG   LEU  18           HG       LEU  18   4.563   5.629   2.275
  300   HD11  LEU  18          HD11      LEU  18   3.790   7.041  -0.245
  301   HD12  LEU  18          HD12      LEU  18   3.854   5.280  -0.185
  302   HD13  LEU  18          HD13      LEU  18   5.300   6.228   0.163
  303   HD21  LEU  18          HD21      LEU  18   4.156   8.329   1.459
  304   HD22  LEU  18          HD22      LEU  18   4.689   7.713   3.024
  305   HD23  LEU  18          HD23      LEU  18   2.968   7.924   2.698
  306    H    PHE  19           H        PHE  19   3.241   7.167   4.818
  307    HA   PHE  19           HA       PHE  19   5.710   6.018   5.209
  308    HB2  PHE  19           HB2      PHE  19   5.339   8.292   5.870
  309    HB3  PHE  19           HB3      PHE  19   4.109   7.813   7.036
  310    HD1  PHE  19           HD1      PHE  19   7.267   5.995   6.623
  311    HD2  PHE  19           HD2      PHE  19   5.143   8.894   8.903
  312    HE1  PHE  19           HE1      PHE  19   8.987   5.870   8.377
  313    HE2  PHE  19           HE2      PHE  19   6.860   8.774  10.661
  314    HZ   PHE  19           HZ       PHE  19   8.786   7.261  10.400
  315    H    ARG  20           H        ARG  20   3.049   5.932   7.587
  316    HA   ARG  20           HA       ARG  20   4.257   3.513   8.735
  317    HB2  ARG  20           HB2      ARG  20   2.367   5.573   9.859
  318    HB3  ARG  20           HB3      ARG  20   2.641   4.028  10.652
  319    HG2  ARG  20           HG2      ARG  20   4.764   4.571  11.289
  320    HG3  ARG  20           HG3      ARG  20   5.005   5.677   9.935
  321    HD2  ARG  20           HD2      ARG  20   3.603   7.333  10.968
  322    HD3  ARG  20           HD3      ARG  20   3.158   6.213  12.256
  323    HE   ARG  20           HE       ARG  20   5.957   6.547  12.205
  324   HH11  ARG  20          HH11      ARG  20   3.035   8.243  13.045
  325   HH12  ARG  20          HH12      ARG  20   3.798   9.225  14.252
  326   HH21  ARG  20          HH21      ARG  20   6.972   7.834  13.791
  327   HH22  ARG  20          HH22      ARG  20   6.038   8.992  14.674
  328    H    ARG  21           H        ARG  21   1.708   4.550   6.786
  329    HA   ARG  21           HA       ARG  21  -0.132   2.440   7.539
  330    HB2  ARG  21           HB2      ARG  21  -1.001   4.626   6.833
  331    HB3  ARG  21           HB3      ARG  21  -0.238   4.426   5.261
  332    HG2  ARG  21           HG2      ARG  21  -2.141   2.338   6.179
  333    HG3  ARG  21           HG3      ARG  21  -2.784   3.889   5.637
  334    HD2  ARG  21           HD2      ARG  21  -2.340   3.442   3.490
  335    HD3  ARG  21           HD3      ARG  21  -0.735   2.816   3.864
  336    HE   ARG  21           HE       ARG  21  -1.597   0.713   3.723
  337   HH11  ARG  21          HH11      ARG  21  -4.206   2.934   4.346
  338   HH12  ARG  21          HH12      ARG  21  -5.439   1.724   4.217
  339   HH21  ARG  21          HH21      ARG  21  -3.212  -0.888   3.552
  340   HH22  ARG  21          HH22      ARG  21  -4.873  -0.449   3.767
  341    H    ASN  22           H        ASN  22   2.429   2.947   5.294
  342    HA   ASN  22           HA       ASN  22   1.775   0.386   3.991
  343    HB2  ASN  22           HB2      ASN  22   2.263   2.971   2.812
  344    HB3  ASN  22           HB3      ASN  22   3.492   1.827   2.281
  345   HD21  ASN  22          HD21      ASN  22   0.428   2.994   1.738
  346   HD22  ASN  22          HD22      ASN  22  -0.160   1.738   0.708
  347    H    PHE  23           H        PHE  23   4.365   2.581   5.001
  348    HA   PHE  23           HA       PHE  23   6.263   0.345   4.905
  349    HB2  PHE  23           HB2      PHE  23   6.747   3.320   5.168
  350    HB3  PHE  23           HB3      PHE  23   8.010   2.094   5.137
  351    HD1  PHE  23           HD1      PHE  23   8.156   0.608   3.061
  352    HD2  PHE  23           HD2      PHE  23   5.963   4.254   3.195
  353    HE1  PHE  23           HE1      PHE  23   8.219   0.732   0.604
  354    HE2  PHE  23           HE2      PHE  23   6.022   4.383   0.738
  355    HZ   PHE  23           HZ       PHE  23   7.151   2.621  -0.560
  356    H    GLY  24           H        GLY  24   4.138   1.230   7.018
  357    HA2  GLY  24           HA2      GLY  24   5.811   1.665   9.352
  358    HA3  GLY  24           HA3      GLY  24   4.056   1.562   9.327
  359    H    TYR  25           H        TYR  25   4.532  -1.013   7.661
  360    HA   TYR  25           HA       TYR  25   4.095  -2.834   9.741
  361    HB2  TYR  25           HB2      TYR  25   4.173  -4.540   8.088
  362    HB3  TYR  25           HB3      TYR  25   3.507  -3.119   7.290
  363    HD1  TYR  25           HD1      TYR  25   5.171  -1.655   5.955
  364    HD2  TYR  25           HD2      TYR  25   5.989  -5.655   7.152
  365    HE1  TYR  25           HE1      TYR  25   6.906  -1.814   4.217
  366    HE2  TYR  25           HE2      TYR  25   7.726  -5.825   5.419
  367    HH   TYR  25           HH       TYR  25   7.981  -4.136   2.900
  368    H    THR  26           H        THR  26   7.036  -1.769   8.177
  369    HA   THR  26           HA       THR  26   8.636  -3.769   9.567
  370    HB   THR  26           HB       THR  26   9.124  -1.861   7.347
  371    HG1  THR  26           HG1      THR  26   9.919  -4.526   7.975
  372   HG21  THR  26          HG21      THR  26  10.824  -1.113   8.894
  373   HG22  THR  26          HG22      THR  26  11.582  -2.083   7.632
  374   HG23  THR  26          HG23      THR  26  11.302  -2.776   9.228
  375    H    LEU  27           H        LEU  27   8.523  -0.213   9.315
  376    HA   LEU  27           HA       LEU  27  10.345   0.227  11.442
  377    HB2  LEU  27           HB2      LEU  27   8.974   1.781   9.534
  378    HB3  LEU  27           HB3      LEU  27   8.540   2.426  11.115
  379    HG   LEU  27           HG       LEU  27  11.332   2.132  10.011
  380   HD11  LEU  27          HD11      LEU  27  10.609   4.002   8.944
  381   HD12  LEU  27          HD12      LEU  27  11.071   4.732  10.480
  382   HD13  LEU  27          HD13      LEU  27   9.379   4.356  10.156
  383   HD21  LEU  27          HD21      LEU  27  10.297   3.008  12.691
  384   HD22  LEU  27          HD22      LEU  27  11.870   3.523  12.080
  385   HD23  LEU  27          HD23      LEU  27  11.536   1.808  12.325
  386    H    ARG  28           H        ARG  28   7.332  -1.057  11.542
  387    HA   ARG  28           HA       ARG  28   5.937   0.220  13.549
  388    HB2  ARG  28           HB2      ARG  28   5.760  -2.226  12.200
  389    HB3  ARG  28           HB3      ARG  28   5.826  -2.651  13.904
  390    HG2  ARG  28           HG2      ARG  28   3.887  -1.400  14.394
  391    HG3  ARG  28           HG3      ARG  28   3.924  -0.596  12.824
  392    HD2  ARG  28           HD2      ARG  28   3.650  -2.936  11.827
  393    HD3  ARG  28           HD3      ARG  28   3.217  -3.445  13.458
  394    HE   ARG  28           HE       ARG  28   1.671  -1.208  12.732
  395   HH11  ARG  28          HH11      ARG  28   2.035  -4.592  11.998
  396   HH12  ARG  28          HH12      ARG  28   0.377  -4.806  11.543
  397   HH21  ARG  28          HH21      ARG  28  -0.514  -1.477  12.135
  398   HH22  ARG  28          HH22      ARG  28  -1.071  -3.033  11.620