*HEADER    ANTIMICROBIAL PROTEIN                   21-MAR-18   6CSZ              
*TITLE     TFE-INDUCED NMR STRUCTURE OF A NOVEL BIOACTIVE PEPTIDE (PADBS1R3)     
*TITLE    2 DERIVED FROM A PYROBACULUM AEROPHILUM RIBOSOMAL PROTEIN (L39E)       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PADBS1R3;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-18;                                         
*COMPND   5 SYNONYM: 50S RIBOSOMAL PROTEIN L39E;                                 
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM;                         
*SOURCE   4 ORGANISM_TAXID: 178306                                               
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIBIOTICS, BACTERIAL RESISTANCE, CATIONIC    
*KEYWDS   2 PEPTIDE, ANTIMICROBIAL PROTEIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.H.CARDOSO,L.Y.CHAN,E.S.CANDIDO,D.J.CRAIK,O.L.FRANCO                 
*REVDAT   1   25-SEP-19 6CSZ    0                                                
# Restraints file 1: PaDBS1R3.upl
 19 LYS  H      19 LYS  HA      2.93  #peak 18 #plist 1 #SUP 0.94 #QF 0.94
  8 ARG  HA      8 ARG  HE      4.46  #peak 24 #plist 1 #SUP 0.99 #QF 0.99
  2 MET  H       2 MET  HG2     3.70  #peak 37 #plist 1 #SUP 0.92 #QF 0.92
  2 MET  H       2 MET  HG3     3.70  #peak 38 #plist 1 #SUP 0.92 #QF 0.92
  2 MET  H       2 MET  HB2     4.01  #peak 39 #plist 1 #SUP 1.00
  2 MET  H       2 MET  QE      3.69  #peak 40 #plist 1 #SUP 0.81 #QF 0.81
  2 MET  H       2 MET  HB3     4.01  #peak 41 #plist 1 #SUP 0.99 #QF 0.99
  3 ALA  H       3 ALA  QB      3.11  #peak 42 #plist 1 #SUP 0.99 #QF 0.99
  4 LYS  H       4 LYS  HE2     5.28  #peak 43 #plist 1 #SUP 1.00
  4 LYS  H       4 LYS  HE3     5.28  #peak 44 #plist 1 #SUP 0.99 #QF 0.99
  4 LYS  H       4 LYS  HB2     3.99  #peak 45 #plist 1 #SUP 0.94 #QF 0.94
  4 LYS  H       4 LYS  HB3     3.99  #peak 46 #plist 1 #SUP 0.98 #QF 0.98
  4 LYS  H       4 LYS  HD2     4.19  #peak 47 #plist 1 #SUP 0.99 #QF 0.99
  4 LYS  H       4 LYS  HD3     4.19  #peak 48 #plist 1 #SUP 0.99 #QF 0.99
  3 ALA  QB      4 LYS  H       4.29  #peak 49 #plist 1 #SUP 1.00 #QF 0.88
 16 ALA  QB     17 ALA  H       4.60  #peak 50 #plist 1 #SUP 0.88 #QF 0.84
  5 LEU  H       5 LEU  HG      4.27  #peak 51 #plist 1 #SUP 0.66 #QF 0.44
  5 LEU  H       5 LEU  QD1     4.38  #peak 54 #plist 1 #SUP 0.99 #QF 0.99
  5 LEU  H       5 LEU  QD2     4.38  #peak 55 #plist 1 #SUP 1.00
  6 LEU  H       6 LEU  QD1     5.50  #peak 59 #plist 1 #SUP 0.99 #QF 0.99
  6 LEU  H       6 LEU  QD2     5.50  #peak 60 #plist 1 #SUP 0.99 #QF 0.99
  8 ARG  H       8 ARG  HB2     4.11  #peak 63 #plist 1 #SUP 1.00
  8 ARG  H       8 ARG  HB3     4.11  #peak 64 #plist 1 #SUP 1.00
  8 ARG  H       8 ARG  HG2     4.34  #peak 65 #plist 1 #SUP 0.98 #QF 0.98
  8 ARG  H       8 ARG  HG3     4.34  #peak 66 #plist 1 #SUP 0.97 #QF 0.97
  9 ILE  H       9 ILE  HB      3.96  #peak 67 #plist 1 #SUP 0.96 #QF 0.96
  9 ILE  H       9 ILE  HG12    5.50  #peak 69 #plist 1 #SUP 1.00
  9 ILE  H       9 ILE  QG2     4.00  #peak 70 #plist 1 #SUP 1.00
  9 ILE  H       9 ILE  QD1     5.50  #peak 71 #plist 1 #SUP 0.88 #QF 0.88
 10 LYS  H      10 LYS  HD2     5.50  #peak 74 #plist 1 #SUP 0.71 #QF 0.71
 10 LYS  H      10 LYS  HD3     5.50  #peak 75 #plist 1 #SUP 0.71 #QF 0.71
 10 LYS  H      10 LYS  HG3     5.43  #peak 76 #plist 1 #SUP 1.00
 10 LYS  H      10 LYS  HG2     5.43  #peak 77 #plist 1 #SUP 0.99 #QF 0.99
 12 LYS  H      12 LYS  HE2     5.50  #peak 90 #plist 1 #SUP 0.60 #QF 0.25
 12 LYS  H      12 LYS  HE3     5.50  #peak 90 #plist 1 #SUP 0.60 #QF 0.25
 12 LYS  H      12 LYS  HB3     3.82  #peak 91 #plist 1 #SUP 0.98 #QF 0.98
 12 LYS  H      12 LYS  HB2     3.82  #peak 92 #plist 1 #SUP 0.98 #QF 0.98
 12 LYS  H      12 LYS  HD2     4.75  #peak 93 #plist 1 #SUP 1.00
 12 LYS  H      12 LYS  HG2     4.66  #peak 95 #plist 1 #SUP 0.99 #QF 0.99
 12 LYS  H      12 LYS  HG3     4.66  #peak 96 #plist 1 #SUP 1.00
 13 ILE  H      13 ILE  HB      4.05  #peak 97 #plist 1 #SUP 1.00
 13 ILE  H      13 ILE  QG2     4.55  #peak 99 #plist 1 #SUP 0.98 #QF 0.98
 13 ILE  H      13 ILE  QD1     5.50  #peak 100 #plist 1 #SUP 1.00
 14 LEU  H      14 LEU  HB2     3.93  #peak 101 #plist 1 #SUP 1.00
 14 LEU  H      14 LEU  HB3     3.93  #peak 102 #plist 1 #SUP 1.00
 14 LEU  H      14 LEU  HG      4.47  #peak 103 #plist 1 #SUP 0.66 #QF 0.66
 13 ILE  QG2    14 LEU  H       5.50  #peak 104 #plist 1 #SUP 1.00 #QF 0.97
 15 ALA  H      15 ALA  QB      3.10  #peak 106 #plist 1 #SUP 1.00
 17 ALA  H      17 ALA  QB      2.83  #peak 107 #plist 1 #SUP 0.92 #QF 0.92
 15 ALA  QB     16 ALA  H       3.28  #peak 108 #plist 1 #SUP 0.96 #QF 0.24
 16 ALA  H      16 ALA  QB      3.38  #peak 108 #plist 1 #SUP 0.96 #QF 0.24
 18 PHE  H      18 PHE  HB2     3.14  #peak 109 #plist 1 #SUP 0.88 #QF 0.88
 18 PHE  H      18 PHE  HB3     3.14  #peak 110 #plist 1 #SUP 0.83 #QF 0.83
 11 LYS  H      11 LYS  HB3     3.81  #peak 113 #plist 1 #SUP 0.99 #QF 0.46
 19 LYS  H      19 LYS  HB3     4.18  #peak 113 #plist 1 #SUP 0.99 #QF 0.46
 11 LYS  H      11 LYS  HB2     3.81  #peak 114 #plist 1 #SUP 0.71 #QF 0.36
 19 LYS  H      19 LYS  HB2     4.18  #peak 114 #plist 1 #SUP 0.71 #QF 0.36
  8 ARG  HB2     8 ARG  HE      4.04  #peak 135 #plist 1 #SUP 0.98 #QF 0.98
  8 ARG  HB3     8 ARG  HE      4.04  #peak 136 #plist 1 #SUP 0.98 #QF 0.98
  8 ARG  HG2     8 ARG  HE      3.97  #peak 137 #plist 1 #SUP 0.99 #QF 0.99
  8 ARG  HG3     8 ARG  HE      3.97  #peak 138 #plist 1 #SUP 0.97 #QF 0.97
 12 LYS  H      12 LYS  HD3     4.75  #peak 141 #plist 1 #SUP 0.97 #QF 0.97
  9 ILE  H       9 ILE  HG13    5.50  #peak 160 #plist 1 #SUP 1.00
  4 LYS  H       4 LYS  QB      3.41  #peak 46 #plist 1
  4 LYS  H       4 LYS  QG      4.17  #peak 50 #plist 1
  4 LYS  QG      5 LEU  H       4.12  #peak 117 #plist 1
  4 LYS  QD      5 LEU  H       5.34  #peak 87 #plist 1
  4 LYS  QE      5 LEU  H       5.34  #peak 112 #plist 1
  5 LEU  H       5 LEU  QB      2.95  #peak 53 #plist 1
  8 ARG  H       8 ARG  QD      4.39  #peak 62 #plist 1
  9 ILE  H       9 ILE  QG1     4.80  #peak 69 #plist 1
 11 LYS  H      11 LYS  QB      3.23  #peak 114 #plist 1
 11 LYS  H      11 LYS  QE      5.30  #peak 79 #plist 1
 12 LYS  H      12 LYS  QD      4.14  #peak 93 #plist 1
 13 ILE  H      13 ILE  QG1     5.34  #peak 98 #plist 1
 14 LEU  H      14 LEU  QQD     5.44  #peak 105 #plist 1
 18 PHE  H      18 PHE  QB      2.75  #peak 110 #plist 1
 19 LYS  H      19 LYS  QB      3.59  #peak 114 #plist 1
 19 LYS  H      19 LYS  QG      3.42  #peak 118 #plist 1
 19 LYS  H      19 LYS  QD      5.34  #peak 87 #plist 1
 19 LYS  H      19 LYS  QE      5.34  #peak 112 #plist 1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1 -12.591   3.701   3.665
    2    H3   PRO   1           HT2      PRO   1 -12.102   4.850   2.623
    3    HA   PRO   1           HA       PRO   1 -13.929   3.610   1.724
    4    HB2  PRO   1           HB2      PRO   1 -12.361   2.161  -0.018
    5    HB3  PRO   1           HB1      PRO   1 -12.715   3.888  -0.195
    6    HG2  PRO   1           HG2      PRO   1 -10.311   2.554   0.985
    7    HG3  PRO   1           HG1      PRO   1 -10.396   3.992  -0.049
    8    HD2  PRO   1           HD2      PRO   1  -9.975   4.271   2.541
    9    HD3  PRO   1           HD1      PRO   1 -11.032   5.362   1.664
   10    H    MET   2           HN       MET   2 -14.966   1.582   1.500
   11    HA   MET   2           HA       MET   2 -14.234  -0.388   3.415
   12    HB2  MET   2           HB2      MET   2 -16.089  -1.738   2.561
   13    HB3  MET   2           HB1      MET   2 -16.583  -0.074   2.819
   14    HG2  MET   2           HG2      MET   2 -16.512   0.352   0.444
   15    HG3  MET   2           HG1      MET   2 -15.874  -1.263   0.139
   16    HE1  MET   2           HE1      MET   2 -18.627  -0.310   2.771
   17    HE2  MET   2           HE2      MET   2 -20.100  -0.478   1.829
   18    HE3  MET   2           HE3      MET   2 -18.955   0.813   1.448
   19    H    ALA   3           HN       ALA   3 -13.670   0.012   0.038
   20    HA   ALA   3           HA       ALA   3 -12.718  -2.606  -0.454
   21    HB1  ALA   3           HB1      ALA   3 -12.211  -0.027  -1.943
   22    HB2  ALA   3           HB2      ALA   3 -13.528  -1.156  -2.260
   23    HB3  ALA   3           HB3      ALA   3 -11.856  -1.648  -2.538
   24    H    LYS   4           HN       LYS   4 -10.724  -3.362  -0.276
   25    HA   LYS   4           HA       LYS   4  -8.969  -1.891   1.444
   26    HB2  LYS   4           HB2      LYS   4  -8.793  -4.731   0.426
   27    HB3  LYS   4           HB1      LYS   4  -7.577  -4.000   1.457
   28    HG2  LYS   4           HG2      LYS   4  -8.963  -5.270   2.893
   29    HG3  LYS   4           HG1      LYS   4  -9.426  -3.589   3.137
   30    HD2  LYS   4           HD2      LYS   4 -11.329  -3.944   1.576
   31    HD3  LYS   4           HD1      LYS   4 -10.886  -5.645   1.478
   32    HE2  LYS   4           HE2      LYS   4 -12.665  -5.445   3.059
   33    HE3  LYS   4           HE1      LYS   4 -11.188  -5.783   3.951
   34    HZ1  LYS   4           HZ1      LYS   4 -11.024  -3.455   4.548
   35    HZ2  LYS   4           HZ2      LYS   4 -12.550  -4.039   4.974
   36    HZ3  LYS   4           HZ3      LYS   4 -12.375  -3.089   3.600
   37    H    LEU   5           HN       LEU   5  -9.325  -2.019  -1.763
   38    HA   LEU   5           HA       LEU   5  -6.808  -2.286  -2.866
   39    HB2  LEU   5           HB2      LEU   5  -9.129  -0.602  -3.779
   40    HB3  LEU   5           HB1      LEU   5  -7.634  -0.671  -4.680
   41    HG   LEU   5           HG       LEU   5  -7.971  -3.136  -4.962
   42   HD11  LEU   5          HD11      LEU   5 -10.134  -4.113  -4.556
   43   HD12  LEU   5          HD12      LEU   5 -10.694  -2.619  -3.815
   44   HD13  LEU   5          HD13      LEU   5  -9.412  -3.561  -3.042
   45   HD21  LEU   5          HD21      LEU   5 -10.181  -1.366  -5.978
   46   HD22  LEU   5          HD22      LEU   5  -9.759  -2.949  -6.622
   47   HD23  LEU   5          HD23      LEU   5  -8.605  -1.621  -6.731
   48    H    LEU   6           HN       LEU   6  -8.246   0.821  -1.770
   49    HA   LEU   6           HA       LEU   6  -5.944   2.291  -2.382
   50    HB2  LEU   6           HB2      LEU   6  -8.069   3.407  -2.051
   51    HB3  LEU   6           HB1      LEU   6  -8.110   2.966  -0.361
   52    HG   LEU   6           HG       LEU   6  -6.089   4.405  -0.024
   53   HD11  LEU   6          HD11      LEU   6  -5.529   6.036  -1.757
   54   HD12  LEU   6          HD12      LEU   6  -6.650   5.243  -2.863
   55   HD13  LEU   6          HD13      LEU   6  -5.220   4.383  -2.289
   56   HD21  LEU   6          HD21      LEU   6  -7.313   6.521  -0.146
   57   HD22  LEU   6          HD22      LEU   6  -8.329   5.226   0.488
   58   HD23  LEU   6          HD23      LEU   6  -8.521   5.762  -1.182
   59    HA   PRO   7           HA       PRO   7  -4.450   1.576   2.313
   60    HB2  PRO   7           HB2      PRO   7  -5.729  -1.124   2.516
   61    HB3  PRO   7           HB1      PRO   7  -5.342   0.027   3.801
   62    HG2  PRO   7           HG2      PRO   7  -7.839  -0.230   2.973
   63    HG3  PRO   7           HG1      PRO   7  -7.175   1.376   3.323
   64    HD2  PRO   7           HD2      PRO   7  -7.711   0.083   0.688
   65    HD3  PRO   7           HD1      PRO   7  -7.863   1.784   1.181
   66    H    ARG   8           HN       ARG   8  -5.098  -1.093   0.058
   67    HA   ARG   8           HA       ARG   8  -2.629  -2.426   0.372
   68    HB2  ARG   8           HB2      ARG   8  -4.645  -2.396  -1.848
   69    HB3  ARG   8           HB1      ARG   8  -3.149  -3.301  -1.991
   70    HG2  ARG   8           HG2      ARG   8  -3.732  -4.683  -0.132
   71    HG3  ARG   8           HG1      ARG   8  -5.137  -3.680   0.236
   72    HD2  ARG   8           HD2      ARG   8  -5.678  -5.800  -0.967
   73    HD3  ARG   8           HD1      ARG   8  -6.226  -4.341  -1.787
   74    HE   ARG   8           HE       ARG   8  -3.671  -5.049  -2.696
   75   HH11  ARG   8          HH11      ARG   8  -7.017  -6.205  -2.927
   76   HH12  ARG   8          HH12      ARG   8  -6.846  -6.834  -4.491
   77   HH21  ARG   8          HH21      ARG   8  -3.443  -5.887  -4.873
   78   HH22  ARG   8          HH22      ARG   8  -4.753  -6.676  -5.626
   79    H    ILE   9           HN       ILE   9  -3.672   0.065  -1.889
   80    HA   ILE   9           HA       ILE   9  -1.319   0.280  -3.362
   81    HB   ILE   9           HB       ILE   9  -3.314   2.462  -2.644
   82   HG12  ILE   9          HG12      ILE   9  -3.018   0.809  -5.167
   83   HG13  ILE   9          HG11      ILE   9  -4.240   0.556  -3.927
   84   HG21  ILE   9          HG21      ILE   9  -1.195   3.470  -3.290
   85   HG22  ILE   9          HG22      ILE   9  -2.402   3.720  -4.552
   86   HG23  ILE   9          HG23      ILE   9  -1.155   2.489  -4.755
   87   HD11  ILE   9          HD11      ILE   9  -5.183   2.764  -4.425
   88   HD12  ILE   9          HD12      ILE   9  -5.159   1.722  -5.846
   89   HD13  ILE   9          HD13      ILE   9  -3.955   2.999  -5.668
   90    H    LYS  10           HN       LYS  10  -2.281   1.907  -0.368
   91    HA   LYS  10           HA       LYS  10   0.051   3.446  -0.004
   92    HB2  LYS  10           HB2      LYS  10  -1.876   2.319   2.027
   93    HB3  LYS  10           HB1      LYS  10  -0.544   3.371   2.465
   94    HG2  LYS  10           HG2      LYS  10  -2.810   4.097   0.611
   95    HG3  LYS  10           HG1      LYS  10  -2.661   4.583   2.302
   96    HD2  LYS  10           HD2      LYS  10  -0.491   5.692   1.714
   97    HD3  LYS  10           HD1      LYS  10  -0.825   5.326   0.025
   98    HE2  LYS  10           HE2      LYS  10  -2.543   7.016   1.831
   99    HE3  LYS  10           HE1      LYS  10  -1.437   7.622   0.606
  100    HZ1  LYS  10           HZ1      LYS  10  -2.801   6.441  -1.070
  101    HZ2  LYS  10           HZ2      LYS  10  -3.629   7.633  -0.241
  102    HZ3  LYS  10           HZ3      LYS  10  -3.899   6.023   0.161
  103    H    LYS  11           HN       LYS  11  -0.696   0.189   1.038
  104    HA   LYS  11           HA       LYS  11   1.679  -0.329   2.446
  105    HB2  LYS  11           HB2      LYS  11  -0.314  -1.708   2.654
  106    HB3  LYS  11           HB1      LYS  11  -0.181  -2.195   0.974
  107    HG2  LYS  11           HG2      LYS  11   1.882  -3.383   1.472
  108    HG3  LYS  11           HG1      LYS  11   1.785  -2.864   3.158
  109    HD2  LYS  11           HD2      LYS  11  -0.316  -4.037   3.422
  110    HD3  LYS  11           HD1      LYS  11  -0.294  -4.507   1.725
  111    HE2  LYS  11           HE2      LYS  11   1.755  -5.780   2.117
  112    HE3  LYS  11           HE1      LYS  11   1.725  -5.321   3.816
  113    HZ1  LYS  11           HZ1      LYS  11  -0.454  -6.446   3.982
  114    HZ2  LYS  11           HZ2      LYS  11   0.787  -7.490   3.558
  115    HZ3  LYS  11           HZ3      LYS  11  -0.288  -6.967   2.388
  116    H    LYS  12           HN       LYS  12   0.805  -0.739  -0.940
  117    HA   LYS  12           HA       LYS  12   3.250  -1.924  -1.748
  118    HB2  LYS  12           HB2      LYS  12   1.195  -0.412  -3.360
  119    HB3  LYS  12           HB1      LYS  12   2.546  -1.283  -4.058
  120    HG2  LYS  12           HG2      LYS  12   0.302  -2.488  -2.447
  121    HG3  LYS  12           HG1      LYS  12   0.471  -2.560  -4.197
  122    HD2  LYS  12           HD2      LYS  12   2.340  -3.800  -2.157
  123    HD3  LYS  12           HD1      LYS  12   1.186  -4.656  -3.171
  124    HE2  LYS  12           HE2      LYS  12   2.420  -3.857  -5.176
  125    HE3  LYS  12           HE1      LYS  12   3.606  -3.114  -4.106
  126    HZ1  LYS  12           HZ1      LYS  12   4.425  -5.205  -4.805
  127    HZ2  LYS  12           HZ2      LYS  12   2.997  -5.991  -4.373
  128    HZ3  LYS  12           HZ3      LYS  12   4.010  -5.365  -3.175
  129    H    ILE  13           HN       ILE  13   2.163   1.382  -1.491
  130    HA   ILE  13           HA       ILE  13   4.393   2.581  -2.751
  131    HB   ILE  13           HB       ILE  13   2.567   3.710  -0.593
  132   HG12  ILE  13          HG12      ILE  13   2.545   4.137  -3.589
  133   HG13  ILE  13          HG11      ILE  13   1.451   3.070  -2.716
  134   HG21  ILE  13          HG21      ILE  13   3.363   5.919  -1.277
  135   HG22  ILE  13          HG22      ILE  13   4.484   5.167  -2.411
  136   HG23  ILE  13          HG23      ILE  13   4.687   4.918  -0.675
  137   HD11  ILE  13          HD11      ILE  13   0.392   5.179  -3.267
  138   HD12  ILE  13          HD12      ILE  13   1.656   6.050  -2.396
  139   HD13  ILE  13          HD13      ILE  13   0.549   4.995  -1.520
  140    H    LEU  14           HN       LEU  14   3.739   1.700   0.600
  141    HA   LEU  14           HA       LEU  14   6.238   2.594   1.599
  142    HB2  LEU  14           HB2      LEU  14   4.353   0.509   2.688
  143    HB3  LEU  14           HB1      LEU  14   5.744   1.129   3.550
  144    HG   LEU  14           HG       LEU  14   3.325   2.731   2.723
  145   HD11  LEU  14          HD11      LEU  14   2.889   2.852   5.116
  146   HD12  LEU  14          HD12      LEU  14   4.263   1.790   5.421
  147   HD13  LEU  14          HD13      LEU  14   2.862   1.187   4.535
  148   HD21  LEU  14          HD21      LEU  14   5.333   4.116   2.696
  149   HD22  LEU  14          HD22      LEU  14   5.772   3.534   4.300
  150   HD23  LEU  14          HD23      LEU  14   4.327   4.519   4.086
  151    H    ALA  15           HN       ALA  15   5.193  -0.339   0.093
  152    HA   ALA  15           HA       ALA  15   7.495  -1.897   0.658
  153    HB1  ALA  15           HB1      ALA  15   5.552  -2.117  -1.639
  154    HB2  ALA  15           HB2      ALA  15   5.358  -2.878  -0.063
  155    HB3  ALA  15           HB3      ALA  15   6.689  -3.361  -1.120
  156    H    ALA  16           HN       ALA  16   6.561   0.243  -1.976
  157    HA   ALA  16           HA       ALA  16   8.881  -0.178  -3.554
  158    HB1  ALA  16           HB1      ALA  16   6.807   0.718  -4.499
  159    HB2  ALA  16           HB2      ALA  16   8.156   1.821  -4.783
  160    HB3  ALA  16           HB3      ALA  16   6.981   2.172  -3.516
  161    H    ALA  17           HN       ALA  17   8.119   1.813  -0.861
  162    HA   ALA  17           HA       ALA  17  10.338   3.584  -1.056
  163    HB1  ALA  17           HB1      ALA  17   8.679   2.854   1.357
  164    HB2  ALA  17           HB2      ALA  17   8.320   4.154   0.222
  165    HB3  ALA  17           HB3      ALA  17   9.768   4.234   1.227
  166    H    PHE  18           HN       PHE  18   9.877   0.395   0.157
  167    HA   PHE  18           HA       PHE  18  12.254   0.345   1.757
  168    HB2  PHE  18           HB2      PHE  18  10.275  -1.094   2.253
  169    HB3  PHE  18           HB1      PHE  18  10.516  -1.926   0.728
  170    HD1  PHE  18           HD1      PHE  18  11.988  -3.769   0.589
  171    HD2  PHE  18           HD2      PHE  18  12.035  -1.281   4.040
  172    HE1  PHE  18           HE1      PHE  18  13.438  -5.394   1.738
  173    HE2  PHE  18           HE2      PHE  18  13.482  -2.901   5.192
  174    HZ   PHE  18           HZ       PHE  18  14.188  -4.956   4.045
  175    H    LYS  19           HN       LYS  19  14.002   0.821   0.531
  176    HA   LYS  19           HA       LYS  19  14.449  -0.738  -1.917
  177    HB2  LYS  19           HB2      LYS  19  15.624   1.952  -1.211
  178    HB3  LYS  19           HB1      LYS  19  15.764   1.103  -2.741
  179    HG2  LYS  19           HG2      LYS  19  13.363   1.403  -3.114
  180    HG3  LYS  19           HG1      LYS  19  13.243   2.269  -1.579
  181    HD2  LYS  19           HD2      LYS  19  14.931   3.883  -2.461
  182    HD3  LYS  19           HD1      LYS  19  14.812   3.069  -4.018
  183    HE2  LYS  19           HE2      LYS  19  12.574   4.449  -2.543
  184    HE3  LYS  19           HE1      LYS  19  13.407   5.062  -3.966
  185    HZ1  LYS  19           HZ1      LYS  19  11.333   4.118  -4.593
  186    HZ2  LYS  19           HZ2      LYS  19  11.640   2.680  -3.800
  187    HZ3  LYS  19           HZ3      LYS  19  12.534   3.083  -5.179
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1 -19.539  -0.014   1.675
    2    H3   PRO   1           HT2      PRO   1 -20.287  -1.435   1.374
    3    HA   PRO   1           HA       PRO   1 -18.556  -1.627   3.056
    4    HB2  PRO   1           HB2      PRO   1 -16.858  -2.993   1.405
    5    HB3  PRO   1           HB1      PRO   1 -18.380  -3.662   2.022
    6    HG2  PRO   1           HG2      PRO   1 -17.795  -2.426  -0.635
    7    HG3  PRO   1           HG1      PRO   1 -18.817  -3.820  -0.252
    8    HD2  PRO   1           HD2      PRO   1 -19.914  -1.455  -0.818
    9    HD3  PRO   1           HD1      PRO   1 -20.589  -2.535   0.376
   10    H    MET   2           HN       MET   2 -15.964  -1.632   3.151
   11    HA   MET   2           HA       MET   2 -15.288   1.005   2.156
   12    HB2  MET   2           HB2      MET   2 -13.441   1.038   3.761
   13    HB3  MET   2           HB1      MET   2 -14.937   0.634   4.563
   14    HG2  MET   2           HG2      MET   2 -13.363  -0.753   5.555
   15    HG3  MET   2           HG1      MET   2 -14.167  -1.798   4.396
   16    HE1  MET   2           HE1      MET   2 -10.948   0.289   5.216
   17    HE2  MET   2           HE2      MET   2 -11.389   0.970   3.647
   18    HE3  MET   2           HE3      MET   2  -9.940  -0.014   3.804
   19    H    ALA   3           HN       ALA   3 -13.140   1.383   1.238
   20    HA   ALA   3           HA       ALA   3 -12.674  -0.658  -0.751
   21    HB1  ALA   3           HB1      ALA   3 -13.016   1.656  -1.501
   22    HB2  ALA   3           HB2      ALA   3 -11.418   1.058  -1.944
   23    HB3  ALA   3           HB3      ALA   3 -11.600   2.154  -0.577
   24    H    LYS   4           HN       LYS   4 -11.311  -2.182  -0.125
   25    HA   LYS   4           HA       LYS   4  -9.139  -1.689   1.688
   26    HB2  LYS   4           HB2      LYS   4  -9.705  -4.118  -0.047
   27    HB3  LYS   4           HB1      LYS   4  -8.407  -4.031   1.123
   28    HG2  LYS   4           HG2      LYS   4 -10.130  -5.286   2.141
   29    HG3  LYS   4           HG1      LYS   4 -10.188  -3.697   2.891
   30    HD2  LYS   4           HD2      LYS   4 -12.066  -3.072   1.460
   31    HD3  LYS   4           HD1      LYS   4 -11.986  -4.639   0.656
   32    HE2  LYS   4           HE2      LYS   4 -12.537  -4.229   3.593
   33    HE3  LYS   4           HE1      LYS   4 -13.777  -4.488   2.377
   34    HZ1  LYS   4           HZ1      LYS   4 -11.632  -6.404   3.144
   35    HZ2  LYS   4           HZ2      LYS   4 -12.719  -6.636   1.886
   36    HZ3  LYS   4           HZ3      LYS   4 -13.285  -6.561   3.456
   37    H    LEU   5           HN       LEU   5  -9.668  -1.324  -1.550
   38    HA   LEU   5           HA       LEU   5  -7.269  -1.816  -2.850
   39    HB2  LEU   5           HB2      LEU   5  -9.182   0.446  -3.374
   40    HB3  LEU   5           HB1      LEU   5  -8.019  -0.211  -4.504
   41    HG   LEU   5           HG       LEU   5 -10.437  -1.651  -3.417
   42   HD11  LEU   5          HD11      LEU   5 -11.287  -1.487  -5.694
   43   HD12  LEU   5          HD12      LEU   5  -9.877  -0.536  -6.155
   44   HD13  LEU   5          HD13      LEU   5 -11.025   0.102  -4.980
   45   HD21  LEU   5          HD21      LEU   5  -8.381  -2.531  -5.446
   46   HD22  LEU   5          HD22      LEU   5  -9.877  -3.385  -5.080
   47   HD23  LEU   5          HD23      LEU   5  -8.632  -3.225  -3.844
   48    H    LEU   6           HN       LEU   6  -8.319   1.087  -1.092
   49    HA   LEU   6           HA       LEU   6  -6.077   2.623  -1.813
   50    HB2  LEU   6           HB2      LEU   6  -8.062   3.053   0.431
   51    HB3  LEU   6           HB1      LEU   6  -6.810   4.200  -0.001
   52    HG   LEU   6           HG       LEU   6  -9.070   3.310  -1.792
   53   HD11  LEU   6          HD11      LEU   6  -8.651   5.883  -0.277
   54   HD12  LEU   6          HD12      LEU   6  -9.859   4.649   0.082
   55   HD13  LEU   6          HD13      LEU   6  -9.950   5.560  -1.425
   56   HD21  LEU   6          HD21      LEU   6  -7.085   3.939  -3.067
   57   HD22  LEU   6          HD22      LEU   6  -6.958   5.440  -2.151
   58   HD23  LEU   6          HD23      LEU   6  -8.334   5.174  -3.219
   59    HA   PRO   7           HA       PRO   7  -4.192   1.516   2.601
   60    HB2  PRO   7           HB2      PRO   7  -5.464  -1.161   2.867
   61    HB3  PRO   7           HB1      PRO   7  -5.020  -0.009   4.134
   62    HG2  PRO   7           HG2      PRO   7  -7.553  -0.379   3.403
   63    HG3  PRO   7           HG1      PRO   7  -6.952   1.226   3.841
   64    HD2  PRO   7           HD2      PRO   7  -7.595   0.108   1.167
   65    HD3  PRO   7           HD1      PRO   7  -7.720   1.769   1.784
   66    H    ARG   8           HN       ARG   8  -5.173  -0.984   0.312
   67    HA   ARG   8           HA       ARG   8  -2.774  -2.483   0.426
   68    HB2  ARG   8           HB2      ARG   8  -5.033  -2.442  -1.533
   69    HB3  ARG   8           HB1      ARG   8  -3.617  -3.452  -1.774
   70    HG2  ARG   8           HG2      ARG   8  -4.055  -4.635   0.280
   71    HG3  ARG   8           HG1      ARG   8  -5.395  -3.547   0.647
   72    HD2  ARG   8           HD2      ARG   8  -6.092  -5.749  -0.305
   73    HD3  ARG   8           HD1      ARG   8  -6.657  -4.348  -1.215
   74    HE   ARG   8           HE       ARG   8  -4.203  -5.245  -2.247
   75   HH11  ARG   8          HH11      ARG   8  -7.538  -6.301  -2.082
   76   HH12  ARG   8          HH12      ARG   8  -7.577  -7.020  -3.622
   77   HH21  ARG   8          HH21      ARG   8  -4.192  -6.261  -4.373
   78   HH22  ARG   8          HH22      ARG   8  -5.595  -7.009  -4.959
   79    H    ILE   9           HN       ILE   9  -3.837   0.048  -1.864
   80    HA   ILE   9           HA       ILE   9  -1.518  -0.311  -3.462
   81    HB   ILE   9           HB       ILE   9  -3.543   0.776  -4.430
   82   HG12  ILE   9          HG12      ILE   9  -2.437   2.668  -5.617
   83   HG13  ILE   9          HG11      ILE   9  -1.096   2.549  -4.487
   84   HG21  ILE   9          HG21      ILE   9  -4.106   3.096  -3.942
   85   HG22  ILE   9          HG22      ILE   9  -2.863   3.126  -2.689
   86   HG23  ILE   9          HG23      ILE   9  -4.258   2.064  -2.517
   87   HD11  ILE   9          HD11      ILE   9  -0.588   0.319  -5.303
   88   HD12  ILE   9          HD12      ILE   9  -0.604   1.486  -6.624
   89   HD13  ILE   9          HD13      ILE   9  -1.969   0.393  -6.396
   90    H    LYS  10           HN       LYS  10  -2.245   1.584  -0.661
   91    HA   LYS  10           HA       LYS  10   0.152   3.080  -0.734
   92    HB2  LYS  10           HB2      LYS  10  -1.734   2.462   1.536
   93    HB3  LYS  10           HB1      LYS  10  -0.344   3.529   1.687
   94    HG2  LYS  10           HG2      LYS  10  -2.645   3.946  -0.221
   95    HG3  LYS  10           HG1      LYS  10  -2.455   4.757   1.333
   96    HD2  LYS  10           HD2      LYS  10  -0.369   5.773   0.558
   97    HD3  LYS  10           HD1      LYS  10  -0.519   4.943  -0.987
   98    HE2  LYS  10           HE2      LYS  10  -2.595   6.153  -1.439
   99    HE3  LYS  10           HE1      LYS  10  -2.462   6.976   0.111
  100    HZ1  LYS  10           HZ1      LYS  10  -0.505   7.205  -2.128
  101    HZ2  LYS  10           HZ2      LYS  10  -0.406   8.002  -0.648
  102    HZ3  LYS  10           HZ3      LYS  10  -1.655   8.356  -1.702
  103    H    LYS  11           HN       LYS  11  -0.637  -0.111   0.428
  104    HA   LYS  11           HA       LYS  11   1.745  -0.546   1.907
  105    HB2  LYS  11           HB2      LYS  11   0.011  -2.533   0.422
  106    HB3  LYS  11           HB1      LYS  11   1.343  -2.986   1.465
  107    HG2  LYS  11           HG2      LYS  11  -1.174  -1.561   2.303
  108    HG3  LYS  11           HG1      LYS  11  -0.789  -3.259   2.584
  109    HD2  LYS  11           HD2      LYS  11   1.188  -2.524   3.909
  110    HD3  LYS  11           HD1      LYS  11   0.646  -0.857   3.713
  111    HE2  LYS  11           HE2      LYS  11  -0.878  -3.082   5.048
  112    HE3  LYS  11           HE1      LYS  11  -0.056  -1.760   5.868
  113    HZ1  LYS  11           HZ1      LYS  11  -1.600  -0.216   4.733
  114    HZ2  LYS  11           HZ2      LYS  11  -2.366  -1.310   5.740
  115    HZ3  LYS  11           HZ3      LYS  11  -2.409  -1.558   4.074
  116    H    LYS  12           HN       LYS  12   0.915  -0.957  -1.510
  117    HA   LYS  12           HA       LYS  12   3.345  -2.089  -2.319
  118    HB2  LYS  12           HB2      LYS  12   1.291  -0.472  -3.811
  119    HB3  LYS  12           HB1      LYS  12   2.576  -1.422  -4.555
  120    HG2  LYS  12           HG2      LYS  12   1.648  -3.460  -3.795
  121    HG3  LYS  12           HG1      LYS  12   0.530  -2.631  -2.713
  122    HD2  LYS  12           HD2      LYS  12  -0.585  -3.480  -4.716
  123    HD3  LYS  12           HD1      LYS  12  -0.666  -1.725  -4.628
  124    HE2  LYS  12           HE2      LYS  12  -0.199  -2.316  -6.832
  125    HE3  LYS  12           HE1      LYS  12   1.267  -1.630  -6.166
  126    HZ1  LYS  12           HZ1      LYS  12   2.124  -3.886  -5.816
  127    HZ2  LYS  12           HZ2      LYS  12   1.792  -3.598  -7.443
  128    HZ3  LYS  12           HZ3      LYS  12   0.741  -4.538  -6.528
  129    H    ILE  13           HN       ILE  13   2.278   1.198  -1.873
  130    HA   ILE  13           HA       ILE  13   4.579   2.406  -3.069
  131    HB   ILE  13           HB       ILE  13   2.542   3.548  -1.128
  132   HG12  ILE  13          HG12      ILE  13   1.525   2.899  -3.242
  133   HG13  ILE  13          HG11      ILE  13   1.575   4.650  -3.102
  134   HG21  ILE  13          HG21      ILE  13   3.325   5.772  -1.790
  135   HG22  ILE  13          HG22      ILE  13   4.594   5.028  -2.762
  136   HG23  ILE  13          HG23      ILE  13   4.603   4.835  -1.009
  137   HD11  ILE  13          HD11      ILE  13   2.109   3.940  -5.355
  138   HD12  ILE  13          HD12      ILE  13   3.430   2.942  -4.758
  139   HD13  ILE  13          HD13      ILE  13   3.514   4.700  -4.609
  140    H    LEU  14           HN       LEU  14   3.569   1.603   0.210
  141    HA   LEU  14           HA       LEU  14   5.714   2.632   1.640
  142    HB2  LEU  14           HB2      LEU  14   3.682   1.882   2.718
  143    HB3  LEU  14           HB1      LEU  14   3.968   0.239   2.192
  144    HG   LEU  14           HG       LEU  14   5.971   0.153   3.652
  145   HD11  LEU  14          HD11      LEU  14   6.499   2.519   3.739
  146   HD12  LEU  14          HD12      LEU  14   6.303   1.849   5.357
  147   HD13  LEU  14          HD13      LEU  14   5.019   2.826   4.648
  148   HD21  LEU  14          HD21      LEU  14   4.735   0.003   5.763
  149   HD22  LEU  14          HD22      LEU  14   3.849  -0.729   4.425
  150   HD23  LEU  14          HD23      LEU  14   3.384   0.862   5.024
  151    H    ALA  15           HN       ALA  15   5.265  -0.644   0.332
  152    HA   ALA  15           HA       ALA  15   7.705  -1.713   1.229
  153    HB1  ALA  15           HB1      ALA  15   5.831  -3.077   0.440
  154    HB2  ALA  15           HB2      ALA  15   7.335  -3.502  -0.374
  155    HB3  ALA  15           HB3      ALA  15   6.124  -2.527  -1.209
  156    H    ALA  16           HN       ALA  16   6.965   0.238  -1.506
  157    HA   ALA  16           HA       ALA  16   9.442  -0.213  -2.879
  158    HB1  ALA  16           HB1      ALA  16   8.716   1.679  -4.288
  159    HB2  ALA  16           HB2      ALA  16   7.357   1.947  -3.195
  160    HB3  ALA  16           HB3      ALA  16   7.461   0.452  -4.120
  161    H    ALA  17           HN       ALA  17   8.103   2.252  -0.754
  162    HA   ALA  17           HA       ALA  17  10.378   3.978  -0.876
  163    HB1  ALA  17           HB1      ALA  17   9.255   5.242   0.856
  164    HB2  ALA  17           HB2      ALA  17   8.125   3.915   1.119
  165    HB3  ALA  17           HB3      ALA  17   8.109   4.797  -0.407
  166    H    PHE  18           HN       PHE  18   9.358   1.383   1.186
  167    HA   PHE  18           HA       PHE  18  11.485   1.842   3.078
  168    HB2  PHE  18           HB2      PHE  18   9.217   1.022   3.796
  169    HB3  PHE  18           HB1      PHE  18   9.510  -0.454   2.899
  170    HD1  PHE  18           HD1      PHE  18  10.609  -2.259   3.918
  171    HD2  PHE  18           HD2      PHE  18  10.761   1.590   5.722
  172    HE1  PHE  18           HE1      PHE  18  11.621  -3.246   5.926
  173    HE2  PHE  18           HE2      PHE  18  11.776   0.610   7.732
  174    HZ   PHE  18           HZ       PHE  18  12.211  -1.808   7.837
  175    H    LYS  19           HN       LYS  19  13.055   1.741   1.367
  176    HA   LYS  19           HA       LYS  19  14.348  -0.776   1.279
  177    HB2  LYS  19           HB2      LYS  19  12.719  -0.994  -0.624
  178    HB3  LYS  19           HB1      LYS  19  13.429   0.440  -1.345
  179    HG2  LYS  19           HG2      LYS  19  15.590  -0.724  -1.474
  180    HG3  LYS  19           HG1      LYS  19  14.829  -2.174  -0.821
  181    HD2  LYS  19           HD2      LYS  19  14.937  -2.437  -3.185
  182    HD3  LYS  19           HD1      LYS  19  13.253  -2.109  -2.786
  183    HE2  LYS  19           HE2      LYS  19  13.874  -0.856  -4.751
  184    HE3  LYS  19           HE1      LYS  19  13.627   0.267  -3.422
  185    HZ1  LYS  19           HZ1      LYS  19  15.619   0.777  -4.714
  186    HZ2  LYS  19           HZ2      LYS  19  16.289  -0.721  -4.327
  187    HZ3  LYS  19           HZ3      LYS  19  16.017   0.413  -3.128
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1 -15.000   7.083  -3.241
    2    H3   PRO   1           HT2      PRO   1 -14.177   5.702  -3.372
    3    HA   PRO   1           HA       PRO   1 -12.110   6.721  -2.630
    4    HB2  PRO   1           HB2      PRO   1 -13.389   8.561  -0.899
    5    HB3  PRO   1           HB1      PRO   1 -12.232   8.935  -2.182
    6    HG2  PRO   1           HG2      PRO   1 -15.195   9.013  -2.238
    7    HG3  PRO   1           HG1      PRO   1 -14.029   9.998  -3.132
    8    HD2  PRO   1           HD2      PRO   1 -15.378   8.108  -4.427
    9    HD3  PRO   1           HD1      PRO   1 -13.665   8.392  -4.728
   10    H    MET   2           HN       MET   2 -11.716   6.386  -0.298
   11    HA   MET   2           HA       MET   2 -11.829   5.101   1.522
   12    HB2  MET   2           HB2      MET   2 -14.835   5.448   1.324
   13    HB3  MET   2           HB1      MET   2 -13.948   4.851   2.719
   14    HG2  MET   2           HG2      MET   2 -12.876   7.007   2.993
   15    HG3  MET   2           HG1      MET   2 -13.690   7.601   1.549
   16    HE1  MET   2           HE1      MET   2 -16.638   6.330   1.903
   17    HE2  MET   2           HE2      MET   2 -16.305   7.977   1.370
   18    HE3  MET   2           HE3      MET   2 -17.438   7.690   2.689
   19    H    ALA   3           HN       ALA   3 -11.007   3.350   0.332
   20    HA   ALA   3           HA       ALA   3 -12.905   1.147  -0.023
   21    HB1  ALA   3           HB1      ALA   3 -11.699   0.517  -2.114
   22    HB2  ALA   3           HB2      ALA   3 -10.866   2.072  -2.053
   23    HB3  ALA   3           HB3      ALA   3 -12.616   2.009  -2.241
   24    H    LYS   4           HN       LYS   4 -11.859  -0.938   0.072
   25    HA   LYS   4           HA       LYS   4  -9.724  -1.094   1.961
   26    HB2  LYS   4           HB2      LYS   4  -9.935  -3.535   1.593
   27    HB3  LYS   4           HB1      LYS   4 -11.470  -2.752   1.957
   28    HG2  LYS   4           HG2      LYS   4 -12.076  -2.776  -0.394
   29    HG3  LYS   4           HG1      LYS   4 -10.518  -3.479  -0.805
   30    HD2  LYS   4           HD2      LYS   4 -12.540  -4.787   0.999
   31    HD3  LYS   4           HD1      LYS   4 -12.425  -5.061  -0.742
   32    HE2  LYS   4           HE2      LYS   4 -10.122  -5.859  -0.451
   33    HE3  LYS   4           HE1      LYS   4 -10.239  -5.596   1.283
   34    HZ1  LYS   4           HZ1      LYS   4 -12.039  -7.215   1.347
   35    HZ2  LYS   4           HZ2      LYS   4 -10.620  -7.907   0.734
   36    HZ3  LYS   4           HZ3      LYS   4 -11.869  -7.485  -0.310
   37    H    LEU   5           HN       LEU   5  -9.865  -0.932  -1.419
   38    HA   LEU   5           HA       LEU   5  -7.411  -2.337  -1.933
   39    HB2  LEU   5           HB2      LEU   5  -9.017  -0.543  -3.742
   40    HB3  LEU   5           HB1      LEU   5  -7.729  -1.622  -4.240
   41    HG   LEU   5           HG       LEU   5 -10.396  -2.458  -3.098
   42   HD11  LEU   5          HD11      LEU   5  -9.276  -2.695  -5.872
   43   HD12  LEU   5          HD12      LEU   5 -10.573  -1.618  -5.356
   44   HD13  LEU   5          HD13      LEU   5 -10.809  -3.366  -5.319
   45   HD21  LEU   5          HD21      LEU   5  -8.661  -4.024  -2.426
   46   HD22  LEU   5          HD22      LEU   5  -8.083  -4.129  -4.085
   47   HD23  LEU   5          HD23      LEU   5  -9.681  -4.748  -3.670
   48    H    LEU   6           HN       LEU   6  -8.293   0.816  -1.035
   49    HA   LEU   6           HA       LEU   6  -6.131   2.183  -2.236
   50    HB2  LEU   6           HB2      LEU   6  -7.942   3.007   0.025
   51    HB3  LEU   6           HB1      LEU   6  -6.752   4.059  -0.718
   52    HG   LEU   6           HG       LEU   6  -9.051   2.793  -2.198
   53   HD11  LEU   6          HD11      LEU   6  -9.856   4.410  -0.554
   54   HD12  LEU   6          HD12      LEU   6 -10.047   5.012  -2.199
   55   HD13  LEU   6          HD13      LEU   6  -8.730   5.607  -1.191
   56   HD21  LEU   6          HD21      LEU   6  -7.062   4.907  -2.984
   57   HD22  LEU   6          HD22      LEU   6  -8.488   4.452  -3.910
   58   HD23  LEU   6          HD23      LEU   6  -7.202   3.277  -3.652
   59    HA   PRO   7           HA       PRO   7  -3.900   1.718   2.092
   60    HB2  PRO   7           HB2      PRO   7  -4.676  -0.696   3.287
   61    HB3  PRO   7           HB1      PRO   7  -5.075   0.920   3.880
   62    HG2  PRO   7           HG2      PRO   7  -6.696  -0.976   2.267
   63    HG3  PRO   7           HG1      PRO   7  -7.213   0.162   3.523
   64    HD2  PRO   7           HD2      PRO   7  -7.626   0.660   0.927
   65    HD3  PRO   7           HD1      PRO   7  -7.214   1.958   2.067
   66    H    ARG   8           HN       ARG   8  -5.055  -0.854  -0.001
   67    HA   ARG   8           HA       ARG   8  -2.685  -2.434   0.184
   68    HB2  ARG   8           HB2      ARG   8  -4.691  -2.382  -2.085
   69    HB3  ARG   8           HB1      ARG   8  -3.470  -3.614  -1.832
   70    HG2  ARG   8           HG2      ARG   8  -4.606  -4.095   0.382
   71    HG3  ARG   8           HG1      ARG   8  -5.915  -3.059  -0.182
   72    HD2  ARG   8           HD2      ARG   8  -6.508  -5.321  -0.716
   73    HD3  ARG   8           HD1      ARG   8  -6.078  -4.510  -2.218
   74    HE   ARG   8           HE       ARG   8  -3.842  -5.798  -1.048
   75   HH11  ARG   8          HH11      ARG   8  -6.762  -6.530  -2.971
   76   HH12  ARG   8          HH12      ARG   8  -6.079  -7.880  -3.722
   77   HH21  ARG   8          HH21      ARG   8  -2.952  -7.741  -2.074
   78   HH22  ARG   8          HH22      ARG   8  -3.906  -8.590  -3.198
   79    H    ILE   9           HN       ILE   9  -3.750   0.184  -1.887
   80    HA   ILE   9           HA       ILE   9  -1.508   0.182  -3.628
   81    HB   ILE   9           HB       ILE   9  -3.306   2.503  -2.830
   82   HG12  ILE   9          HG12      ILE   9  -3.398   0.708  -5.269
   83   HG13  ILE   9          HG11      ILE   9  -4.526   0.661  -3.921
   84   HG21  ILE   9          HG21      ILE   9  -1.192   3.322  -3.730
   85   HG22  ILE   9          HG22      ILE   9  -2.503   3.624  -4.869
   86   HG23  ILE   9          HG23      ILE   9  -1.382   2.292  -5.150
   87   HD11  ILE   9          HD11      ILE   9  -4.141   2.956  -5.831
   88   HD12  ILE   9          HD12      ILE   9  -5.268   2.929  -4.478
   89   HD13  ILE   9          HD13      ILE   9  -5.487   1.817  -5.831
   90    H    LYS  10           HN       LYS  10  -2.276   1.834  -0.632
   91    HA   LYS  10           HA       LYS  10   0.081   3.343  -0.407
   92    HB2  LYS  10           HB2      LYS  10  -1.746   2.302   1.755
   93    HB3  LYS  10           HB1      LYS  10  -0.468   3.474   2.024
   94    HG2  LYS  10           HG2      LYS  10  -1.580   5.015   0.460
   95    HG3  LYS  10           HG1      LYS  10  -2.887   3.844   0.271
   96    HD2  LYS  10           HD2      LYS  10  -3.396   4.001   2.641
   97    HD3  LYS  10           HD1      LYS  10  -2.043   5.106   2.875
   98    HE2  LYS  10           HE2      LYS  10  -3.133   6.702   1.332
   99    HE3  LYS  10           HE1      LYS  10  -4.500   5.599   1.207
  100    HZ1  LYS  10           HZ1      LYS  10  -4.884   7.372   2.833
  101    HZ2  LYS  10           HZ2      LYS  10  -3.548   6.853   3.719
  102    HZ3  LYS  10           HZ3      LYS  10  -4.893   5.848   3.557
  103    H    LYS  11           HN       LYS  11  -0.679   0.074   0.621
  104    HA   LYS  11           HA       LYS  11   1.710  -0.440   1.973
  105    HB2  LYS  11           HB2      LYS  11  -0.209  -1.920   2.202
  106    HB3  LYS  11           HB1      LYS  11  -0.130  -2.338   0.504
  107    HG2  LYS  11           HG2      LYS  11   0.742  -4.124   1.964
  108    HG3  LYS  11           HG1      LYS  11   1.953  -3.524   0.834
  109    HD2  LYS  11           HD2      LYS  11   2.937  -3.872   3.039
  110    HD3  LYS  11           HD1      LYS  11   2.937  -2.159   2.637
  111    HE2  LYS  11           HE2      LYS  11   2.304  -2.478   4.946
  112    HE3  LYS  11           HE1      LYS  11   0.926  -1.868   4.038
  113    HZ1  LYS  11           HZ1      LYS  11   0.018  -4.098   3.975
  114    HZ2  LYS  11           HZ2      LYS  11   0.334  -3.652   5.563
  115    HZ3  LYS  11           HZ3      LYS  11   1.360  -4.715   4.780
  116    H    LYS  12           HN       LYS  12   0.906  -0.697  -1.503
  117    HA   LYS  12           HA       LYS  12   3.314  -1.876  -2.305
  118    HB2  LYS  12           HB2      LYS  12   1.425  -0.014  -3.731
  119    HB3  LYS  12           HB1      LYS  12   2.742  -0.888  -4.503
  120    HG2  LYS  12           HG2      LYS  12   1.704  -2.974  -4.143
  121    HG3  LYS  12           HG1      LYS  12   0.551  -2.280  -2.999
  122    HD2  LYS  12           HD2      LYS  12  -0.485  -2.727  -5.174
  123    HD3  LYS  12           HD1      LYS  12  -0.490  -1.011  -4.788
  124    HE2  LYS  12           HE2      LYS  12   0.072  -1.208  -7.022
  125    HE3  LYS  12           HE1      LYS  12   1.553  -0.768  -6.198
  126    HZ1  LYS  12           HZ1      LYS  12   2.216  -3.139  -6.241
  127    HZ2  LYS  12           HZ2      LYS  12   2.011  -2.517  -7.787
  128    HZ3  LYS  12           HZ3      LYS  12   0.821  -3.500  -7.118
  129    H    ILE  13           HN       ILE  13   2.295   1.456  -1.856
  130    HA   ILE  13           HA       ILE  13   4.642   2.714  -2.758
  131    HB   ILE  13           HB       ILE  13   2.675   3.674  -0.649
  132   HG12  ILE  13          HG12      ILE  13   2.761   4.251  -3.621
  133   HG13  ILE  13          HG11      ILE  13   1.637   3.146  -2.839
  134   HG21  ILE  13          HG21      ILE  13   3.477   5.941  -1.202
  135   HG22  ILE  13          HG22      ILE  13   4.683   5.239  -2.281
  136   HG23  ILE  13          HG23      ILE  13   4.768   4.928  -0.548
  137   HD11  ILE  13          HD11      ILE  13   1.811   6.115  -2.394
  138   HD12  ILE  13          HD12      ILE  13   0.687   5.026  -1.587
  139   HD13  ILE  13          HD13      ILE  13   0.580   5.268  -3.330
  140    H    LEU  14           HN       LEU  14   3.638   1.601   0.428
  141    HA   LEU  14           HA       LEU  14   5.877   2.484   1.876
  142    HB2  LEU  14           HB2      LEU  14   3.758   1.804   2.910
  143    HB3  LEU  14           HB1      LEU  14   4.038   0.151   2.412
  144    HG   LEU  14           HG       LEU  14   6.020   0.071   3.890
  145   HD11  LEU  14          HD11      LEU  14   6.584   2.425   3.945
  146   HD12  LEU  14          HD12      LEU  14   6.327   1.811   5.576
  147   HD13  LEU  14          HD13      LEU  14   5.079   2.783   4.796
  148   HD21  LEU  14          HD21      LEU  14   3.435   0.843   5.234
  149   HD22  LEU  14          HD22      LEU  14   4.765  -0.026   5.994
  150   HD23  LEU  14          HD23      LEU  14   3.873  -0.768   4.666
  151    H    ALA  15           HN       ALA  15   5.215  -0.575   0.236
  152    HA   ALA  15           HA       ALA  15   7.662  -1.805   1.041
  153    HB1  ALA  15           HB1      ALA  15   5.669  -3.117   0.483
  154    HB2  ALA  15           HB2      ALA  15   7.052  -3.588  -0.502
  155    HB3  ALA  15           HB3      ALA  15   5.783  -2.571  -1.189
  156    H    ALA  16           HN       ALA  16   6.764   0.288  -1.550
  157    HA   ALA  16           HA       ALA  16   9.159  -0.263  -3.072
  158    HB1  ALA  16           HB1      ALA  16   8.397   1.519  -4.551
  159    HB2  ALA  16           HB2      ALA  16   7.129   1.948  -3.400
  160    HB3  ALA  16           HB3      ALA  16   7.084   0.387  -4.219
  161    H    ALA  17           HN       ALA  17   8.107   1.910  -0.631
  162    HA   ALA  17           HA       ALA  17  10.274   3.758  -0.944
  163    HB1  ALA  17           HB1      ALA  17   8.391   3.368   1.386
  164    HB2  ALA  17           HB2      ALA  17   8.127   4.458   0.026
  165    HB3  ALA  17           HB3      ALA  17   9.464   4.746   1.139
  166    H    PHE  18           HN       PHE  18   9.485   1.145   1.306
  167    HA   PHE  18           HA       PHE  18  12.063   1.318   2.596
  168    HB2  PHE  18           HB2      PHE  18  10.027   0.745   3.889
  169    HB3  PHE  18           HB1      PHE  18   9.805  -0.687   2.898
  170    HD1  PHE  18           HD1      PHE  18  11.167  -2.665   3.250
  171    HD2  PHE  18           HD2      PHE  18  11.781   0.857   5.554
  172    HE1  PHE  18           HE1      PHE  18  12.535  -3.951   4.839
  173    HE2  PHE  18           HE2      PHE  18  13.145  -0.414   7.140
  174    HZ   PHE  18           HZ       PHE  18  13.530  -2.820   6.793
  175    H    LYS  19           HN       LYS  19  13.720   0.627   1.374
  176    HA   LYS  19           HA       LYS  19  13.660  -2.074   0.379
  177    HB2  LYS  19           HB2      LYS  19  14.519  -1.272  -1.894
  178    HB3  LYS  19           HB1      LYS  19  12.811  -1.021  -1.570
  179    HG2  LYS  19           HG2      LYS  19  13.286   1.315  -0.967
  180    HG3  LYS  19           HG1      LYS  19  14.982   1.054  -1.364
  181    HD2  LYS  19           HD2      LYS  19  14.381   0.594  -3.676
  182    HD3  LYS  19           HD1      LYS  19  12.669   0.764  -3.276
  183    HE2  LYS  19           HE2      LYS  19  14.776   2.918  -3.098
  184    HE3  LYS  19           HE1      LYS  19  13.482   2.810  -4.290
  185    HZ1  LYS  19           HZ1      LYS  19  12.823   4.358  -2.584
  186    HZ2  LYS  19           HZ2      LYS  19  13.176   3.267  -1.370
  187    HZ3  LYS  19           HZ3      LYS  19  11.886   2.965  -2.427
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1 -11.575   1.332   4.844
    2    H3   PRO   1           HT2      PRO   1 -12.864   2.034   5.550
    3    HA   PRO   1           HA       PRO   1 -12.254   4.216   4.769
    4    HB2  PRO   1           HB2      PRO   1 -10.715   3.592   2.572
    5    HB3  PRO   1           HB1      PRO   1 -10.082   4.312   4.062
    6    HG2  PRO   1           HG2      PRO   1 -10.098   1.446   3.203
    7    HG3  PRO   1           HG1      PRO   1  -8.826   2.356   4.040
    8    HD2  PRO   1           HD2      PRO   1 -10.321   0.662   5.406
    9    HD3  PRO   1           HD1      PRO   1  -9.858   2.207   6.075
   10    H    MET   2           HN       MET   2 -13.021   4.759   2.474
   11    HA   MET   2           HA       MET   2 -15.101   2.981   1.721
   12    HB2  MET   2           HB2      MET   2 -14.003   5.483   0.438
   13    HB3  MET   2           HB1      MET   2 -15.353   4.581  -0.232
   14    HG2  MET   2           HG2      MET   2 -15.304   5.762   2.527
   15    HG3  MET   2           HG1      MET   2 -16.001   6.558   1.121
   16    HE1  MET   2           HE1      MET   2 -17.595   6.021   3.834
   17    HE2  MET   2           HE2      MET   2 -19.150   5.466   3.213
   18    HE3  MET   2           HE3      MET   2 -18.317   6.812   2.432
   19    H    ALA   3           HN       ALA   3 -12.122   4.041   0.166
   20    HA   ALA   3           HA       ALA   3 -12.344   1.900  -1.763
   21    HB1  ALA   3           HB1      ALA   3 -10.310   2.865  -2.742
   22    HB2  ALA   3           HB2      ALA   3 -10.199   4.000  -1.399
   23    HB3  ALA   3           HB3      ALA   3 -11.551   4.100  -2.526
   24    H    LYS   4           HN       LYS   4 -11.853  -0.027  -0.968
   25    HA   LYS   4           HA       LYS   4 -10.029  -0.422   1.192
   26    HB2  LYS   4           HB2      LYS   4 -11.181  -2.479  -0.695
   27    HB3  LYS   4           HB1      LYS   4 -10.568  -2.752   0.936
   28    HG2  LYS   4           HG2      LYS   4 -12.356  -1.383   1.856
   29    HG3  LYS   4           HG1      LYS   4 -12.969  -1.076   0.237
   30    HD2  LYS   4           HD2      LYS   4 -14.320  -2.742   1.143
   31    HD3  LYS   4           HD1      LYS   4 -13.258  -3.560   0.011
   32    HE2  LYS   4           HE2      LYS   4 -11.836  -4.344   1.792
   33    HE3  LYS   4           HE1      LYS   4 -12.752  -3.417   2.980
   34    HZ1  LYS   4           HZ1      LYS   4 -14.668  -4.801   2.541
   35    HZ2  LYS   4           HZ2      LYS   4 -13.356  -5.760   2.980
   36    HZ3  LYS   4           HZ3      LYS   4 -13.836  -5.670   1.371
   37    H    LEU   5           HN       LEU   5  -9.722   0.049  -2.049
   38    HA   LEU   5           HA       LEU   5  -7.340  -1.411  -2.603
   39    HB2  LEU   5           HB2      LEU   5  -8.608   0.977  -3.951
   40    HB3  LEU   5           HB1      LEU   5  -7.117   0.264  -4.507
   41    HG   LEU   5           HG       LEU   5  -8.347  -1.845  -5.006
   42   HD11  LEU   5          HD11      LEU   5 -10.194  -1.627  -3.429
   43   HD12  LEU   5          HD12      LEU   5 -10.776  -1.847  -5.079
   44   HD13  LEU   5          HD13      LEU   5 -10.809  -0.246  -4.338
   45   HD21  LEU   5          HD21      LEU   5  -9.517  -0.984  -6.963
   46   HD22  LEU   5          HD22      LEU   5  -7.953  -0.200  -6.730
   47   HD23  LEU   5          HD23      LEU   5  -9.436   0.643  -6.289
   48    H    LEU   6           HN       LEU   6  -8.106   1.599  -1.058
   49    HA   LEU   6           HA       LEU   6  -5.722   2.978  -1.487
   50    HB2  LEU   6           HB2      LEU   6  -7.809   4.043  -0.682
   51    HB3  LEU   6           HB1      LEU   6  -7.641   3.276   0.865
   52    HG   LEU   6           HG       LEU   6  -5.674   5.331  -0.194
   53   HD11  LEU   6          HD11      LEU   6  -8.051   5.708   1.623
   54   HD12  LEU   6          HD12      LEU   6  -7.900   6.307  -0.028
   55   HD13  LEU   6          HD13      LEU   6  -6.845   6.935   1.237
   56   HD21  LEU   6          HD21      LEU   6  -6.216   4.340   2.619
   57   HD22  LEU   6          HD22      LEU   6  -5.049   5.582   2.165
   58   HD23  LEU   6          HD23      LEU   6  -4.812   3.915   1.640
   59    HA   PRO   7           HA       PRO   7  -3.900   1.126   2.630
   60    HB2  PRO   7           HB2      PRO   7  -5.355  -1.446   2.820
   61    HB3  PRO   7           HB1      PRO   7  -4.883  -0.333   4.108
   62    HG2  PRO   7           HG2      PRO   7  -7.423  -0.560   3.345
   63    HG3  PRO   7           HG1      PRO   7  -6.745   1.010   3.806
   64    HD2  PRO   7           HD2      PRO   7  -7.296  -0.100   1.088
   65    HD3  PRO   7           HD1      PRO   7  -7.549   1.542   1.714
   66    H    ARG   8           HN       ARG   8  -5.148  -0.896   0.069
   67    HA   ARG   8           HA       ARG   8  -3.001  -2.777   0.085
   68    HB2  ARG   8           HB2      ARG   8  -5.020  -2.232  -2.089
   69    HB3  ARG   8           HB1      ARG   8  -3.982  -3.648  -1.978
   70    HG2  ARG   8           HG2      ARG   8  -5.081  -4.265   0.123
   71    HG3  ARG   8           HG1      ARG   8  -6.150  -2.870  -0.040
   72    HD2  ARG   8           HD2      ARG   8  -7.325  -4.800  -0.822
   73    HD3  ARG   8           HD1      ARG   8  -6.907  -3.819  -2.226
   74    HE   ARG   8           HE       ARG   8  -4.852  -5.610  -1.914
   75   HH11  ARG   8          HH11      ARG   8  -8.333  -5.807  -2.587
   76   HH12  ARG   8          HH12      ARG   8  -8.235  -7.325  -3.345
   77   HH21  ARG   8          HH21      ARG   8  -4.731  -7.695  -2.928
   78   HH22  ARG   8          HH22      ARG   8  -6.129  -8.441  -3.533
   79    H    ILE   9           HN       ILE   9  -3.783   0.047  -1.934
   80    HA   ILE   9           HA       ILE   9  -1.448  -0.297  -3.510
   81    HB   ILE   9           HB       ILE   9  -1.809   1.997  -4.368
   82   HG12  ILE   9          HG12      ILE   9  -4.139   2.077  -2.441
   83   HG13  ILE   9          HG11      ILE   9  -2.678   3.048  -2.316
   84   HG21  ILE   9          HG21      ILE   9  -2.927   0.180  -5.442
   85   HG22  ILE   9          HG22      ILE   9  -3.981   1.596  -5.447
   86   HG23  ILE   9          HG23      ILE   9  -4.275   0.278  -4.310
   87   HD11  ILE   9          HD11      ILE   9  -4.539   4.340  -3.196
   88   HD12  ILE   9          HD12      ILE   9  -4.716   3.197  -4.529
   89   HD13  ILE   9          HD13      ILE   9  -3.258   4.182  -4.396
   90    H    LYS  10           HN       LYS  10  -2.173   1.467  -0.573
   91    HA   LYS  10           HA       LYS  10   0.282   2.855  -0.463
   92    HB2  LYS  10           HB2      LYS  10  -1.671   3.453   0.972
   93    HB3  LYS  10           HB1      LYS  10  -1.449   1.959   1.867
   94    HG2  LYS  10           HG2      LYS  10   0.788   2.730   2.568
   95    HG3  LYS  10           HG1      LYS  10   0.517   4.244   1.709
   96    HD2  LYS  10           HD2      LYS  10  -1.427   4.690   3.175
   97    HD3  LYS  10           HD1      LYS  10  -1.080   3.196   4.048
   98    HE2  LYS  10           HE2      LYS  10   1.131   4.066   4.662
   99    HE3  LYS  10           HE1      LYS  10   0.781   5.557   3.795
  100    HZ1  LYS  10           HZ1      LYS  10   0.432   5.832   6.141
  101    HZ2  LYS  10           HZ2      LYS  10  -0.663   4.554   6.193
  102    HZ3  LYS  10           HZ3      LYS  10  -1.046   5.961   5.347
  103    H    LYS  11           HN       LYS  11  -0.761  -0.312   0.520
  104    HA   LYS  11           HA       LYS  11   1.407  -1.177   2.045
  105    HB2  LYS  11           HB2      LYS  11  -0.749  -2.363   1.823
  106    HB3  LYS  11           HB1      LYS  11  -0.368  -2.744   0.159
  107    HG2  LYS  11           HG2      LYS  11  -0.046  -4.680   1.542
  108    HG3  LYS  11           HG1      LYS  11   1.511  -4.126   0.931
  109    HD2  LYS  11           HD2      LYS  11   2.004  -3.072   3.058
  110    HD3  LYS  11           HD1      LYS  11   0.407  -3.511   3.670
  111    HE2  LYS  11           HE2      LYS  11   0.949  -5.862   3.478
  112    HE3  LYS  11           HE1      LYS  11   2.506  -5.458   2.758
  113    HZ1  LYS  11           HZ1      LYS  11   3.121  -4.376   4.810
  114    HZ2  LYS  11           HZ2      LYS  11   2.763  -5.997   5.079
  115    HZ3  LYS  11           HZ3      LYS  11   1.657  -4.794   5.532
  116    H    LYS  12           HN       LYS  12   0.916  -1.100  -1.415
  117    HA   LYS  12           HA       LYS  12   3.349  -2.478  -2.079
  118    HB2  LYS  12           HB2      LYS  12   1.550  -0.780  -3.817
  119    HB3  LYS  12           HB1      LYS  12   2.781  -1.896  -4.385
  120    HG2  LYS  12           HG2      LYS  12   1.534  -3.770  -3.471
  121    HG3  LYS  12           HG1      LYS  12   0.322  -2.663  -2.828
  122    HD2  LYS  12           HD2      LYS  12  -0.180  -1.923  -5.128
  123    HD3  LYS  12           HD1      LYS  12   0.988  -3.099  -5.737
  124    HE2  LYS  12           HE2      LYS  12  -0.315  -4.902  -4.702
  125    HE3  LYS  12           HE1      LYS  12  -1.495  -3.721  -4.139
  126    HZ1  LYS  12           HZ1      LYS  12  -1.952  -3.170  -6.474
  127    HZ2  LYS  12           HZ2      LYS  12  -2.245  -4.793  -6.157
  128    HZ3  LYS  12           HZ3      LYS  12  -0.851  -4.341  -6.971
  129    H    ILE  13           HN       ILE  13   2.201   0.863  -2.401
  130    HA   ILE  13           HA       ILE  13   4.568   1.956  -3.438
  131    HB   ILE  13           HB       ILE  13   2.317   3.336  -1.934
  132   HG12  ILE  13          HG12      ILE  13   2.795   3.043  -4.910
  133   HG13  ILE  13          HG11      ILE  13   1.643   2.096  -3.980
  134   HG21  ILE  13          HG21      ILE  13   4.325   4.737  -1.979
  135   HG22  ILE  13          HG22      ILE  13   3.070   5.396  -3.033
  136   HG23  ILE  13          HG23      ILE  13   4.435   4.526  -3.728
  137   HD11  ILE  13          HD11      ILE  13   1.563   5.078  -4.388
  138   HD12  ILE  13          HD12      ILE  13   0.394   4.133  -3.463
  139   HD13  ILE  13          HD13      ILE  13   0.548   3.890  -5.204
  140    H    LEU  14           HN       LEU  14   3.453   1.628  -0.099
  141    HA   LEU  14           HA       LEU  14   5.486   3.188   1.095
  142    HB2  LEU  14           HB2      LEU  14   3.395   2.644   2.242
  143    HB3  LEU  14           HB1      LEU  14   3.820   0.948   2.241
  144    HG   LEU  14           HG       LEU  14   5.745   1.483   3.729
  145   HD11  LEU  14          HD11      LEU  14   4.475   4.215   3.842
  146   HD12  LEU  14          HD12      LEU  14   6.041   3.820   3.133
  147   HD13  LEU  14          HD13      LEU  14   5.791   3.637   4.866
  148   HD21  LEU  14          HD21      LEU  14   3.632   0.645   4.618
  149   HD22  LEU  14          HD22      LEU  14   3.019   2.295   4.741
  150   HD23  LEU  14          HD23      LEU  14   4.381   1.782   5.735
  151    H    ALA  15           HN       ALA  15   5.217  -0.221   0.277
  152    HA   ALA  15           HA       ALA  15   7.537  -1.061   1.662
  153    HB1  ALA  15           HB1      ALA  15   6.212  -2.317  -0.735
  154    HB2  ALA  15           HB2      ALA  15   5.798  -2.619   0.953
  155    HB3  ALA  15           HB3      ALA  15   7.379  -3.097   0.333
  156    H    ALA  16           HN       ALA  16   6.957   0.103  -1.579
  157    HA   ALA  16           HA       ALA  16   9.587  -0.328  -2.538
  158    HB1  ALA  16           HB1      ALA  16   8.945   1.154  -4.380
  159    HB2  ALA  16           HB2      ALA  16   7.502   1.635  -3.486
  160    HB3  ALA  16           HB3      ALA  16   7.682  -0.029  -4.040
  161    H    ALA  17           HN       ALA  17   8.044   2.246  -0.764
  162    HA   ALA  17           HA       ALA  17  10.226   4.105  -1.061
  163    HB1  ALA  17           HB1      ALA  17   7.919   4.902  -0.758
  164    HB2  ALA  17           HB2      ALA  17   8.982   5.495   0.520
  165    HB3  ALA  17           HB3      ALA  17   7.879   4.157   0.840
  166    H    PHE  18           HN       PHE  18   9.290   1.609   1.119
  167    HA   PHE  18           HA       PHE  18  11.081   2.376   3.206
  168    HB2  PHE  18           HB2      PHE  18   8.956   1.166   3.657
  169    HB3  PHE  18           HB1      PHE  18   9.573  -0.218   2.774
  170    HD1  PHE  18           HD1      PHE  18  10.146   1.888   5.759
  171    HD2  PHE  18           HD2      PHE  18  10.851  -1.850   3.871
  172    HE1  PHE  18           HE1      PHE  18  11.059   0.999   7.867
  173    HE2  PHE  18           HE2      PHE  18  11.773  -2.743   5.970
  174    HZ   PHE  18           HZ       PHE  18  11.874  -1.315   7.972
  175    H    LYS  19           HN       LYS  19  13.060   2.468   2.312
  176    HA   LYS  19           HA       LYS  19  14.157  -0.026   1.257
  177    HB2  LYS  19           HB2      LYS  19  15.112   2.817   0.792
  178    HB3  LYS  19           HB1      LYS  19  15.841   1.369   0.113
  179    HG2  LYS  19           HG2      LYS  19  13.735   0.937  -1.121
  180    HG3  LYS  19           HG1      LYS  19  13.088   2.446  -0.481
  181    HD2  LYS  19           HD2      LYS  19  14.908   3.679  -1.578
  182    HD3  LYS  19           HD1      LYS  19  15.541   2.167  -2.222
  183    HE2  LYS  19           HE2      LYS  19  12.841   3.378  -2.831
  184    HE3  LYS  19           HE1      LYS  19  14.233   3.362  -3.906
  185    HZ1  LYS  19           HZ1      LYS  19  12.720   1.623  -4.520
  186    HZ2  LYS  19           HZ2      LYS  19  12.665   1.023  -2.976
  187    HZ3  LYS  19           HZ3      LYS  19  14.092   0.889  -3.871
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1 -15.456   7.473  -0.098
    2    H3   PRO   1           HT2      PRO   1 -15.015   8.170   1.331
    3    HA   PRO   1           HA       PRO   1 -16.211   6.622   2.633
    4    HB2  PRO   1           HB2      PRO   1 -16.227   4.430   0.924
    5    HB3  PRO   1           HB1      PRO   1 -17.656   5.313   1.484
    6    HG2  PRO   1           HG2      PRO   1 -16.130   5.616  -1.072
    7    HG3  PRO   1           HG1      PRO   1 -17.877   5.722  -0.794
    8    HD2  PRO   1           HD2      PRO   1 -16.496   7.934  -1.175
    9    HD3  PRO   1           HD1      PRO   1 -17.762   7.848   0.041
   10    H    MET   2           HN       MET   2 -14.845   4.992   3.546
   11    HA   MET   2           HA       MET   2 -12.114   5.218   2.778
   12    HB2  MET   2           HB2      MET   2 -13.500   3.515   4.842
   13    HB3  MET   2           HB1      MET   2 -11.758   3.539   4.619
   14    HG2  MET   2           HG2      MET   2 -13.451   5.917   5.321
   15    HG3  MET   2           HG1      MET   2 -12.522   4.961   6.469
   16    HE1  MET   2           HE1      MET   2  -9.850   4.839   6.463
   17    HE2  MET   2           HE2      MET   2  -8.827   5.710   5.324
   18    HE3  MET   2           HE3      MET   2  -9.827   4.374   4.759
   19    H    ALA   3           HN       ALA   3 -11.342   4.241   1.110
   20    HA   ALA   3           HA       ALA   3 -12.514   1.880  -0.024
   21    HB1  ALA   3           HB1      ALA   3 -10.014   3.408  -0.740
   22    HB2  ALA   3           HB2      ALA   3 -11.606   3.652  -1.447
   23    HB3  ALA   3           HB3      ALA   3 -10.742   2.137  -1.719
   24    H    LYS   4           HN       LYS   4 -11.595  -0.147  -0.083
   25    HA   LYS   4           HA       LYS   4  -9.704  -0.693   2.050
   26    HB2  LYS   4           HB2      LYS   4 -11.620  -2.411   0.516
   27    HB3  LYS   4           HB1      LYS   4 -10.286  -3.155   1.377
   28    HG2  LYS   4           HG2      LYS   4 -12.279  -3.214   2.738
   29    HG3  LYS   4           HG1      LYS   4 -11.086  -2.142   3.463
   30    HD2  LYS   4           HD2      LYS   4 -12.304  -0.212   2.502
   31    HD3  LYS   4           HD1      LYS   4 -13.519  -1.325   1.880
   32    HE2  LYS   4           HE2      LYS   4 -14.275  -0.338   3.965
   33    HE3  LYS   4           HE1      LYS   4 -14.001  -2.067   4.157
   34    HZ1  LYS   4           HZ1      LYS   4 -13.139  -0.780   6.023
   35    HZ2  LYS   4           HZ2      LYS   4 -12.117   0.070   5.022
   36    HZ3  LYS   4           HZ3      LYS   4 -11.890  -1.591   5.243
   37    H    LEU   5           HN       LEU   5  -9.878  -0.732  -1.394
   38    HA   LEU   5           HA       LEU   5  -7.394  -2.124  -1.563
   39    HB2  LEU   5           HB2      LEU   5  -9.111  -0.860  -3.673
   40    HB3  LEU   5           HB1      LEU   5  -7.493  -1.408  -4.048
   41    HG   LEU   5           HG       LEU   5  -8.229  -3.688  -3.171
   42   HD11  LEU   5          HD11      LEU   5 -10.591  -4.218  -3.265
   43   HD12  LEU   5          HD12      LEU   5 -10.967  -2.519  -3.534
   44   HD13  LEU   5          HD13      LEU   5 -10.241  -3.030  -2.008
   45   HD21  LEU   5          HD21      LEU   5  -9.286  -4.293  -5.305
   46   HD22  LEU   5          HD22      LEU   5  -7.854  -3.283  -5.504
   47   HD23  LEU   5          HD23      LEU   5  -9.462  -2.575  -5.670
   48    H    LEU   6           HN       LEU   6  -8.296   1.013  -0.996
   49    HA   LEU   6           HA       LEU   6  -6.062   2.347  -2.061
   50    HB2  LEU   6           HB2      LEU   6  -8.010   3.611  -1.416
   51    HB3  LEU   6           HB1      LEU   6  -7.841   3.157   0.261
   52    HG   LEU   6           HG       LEU   6  -5.685   4.438   0.305
   53   HD11  LEU   6          HD11      LEU   6  -5.164   4.406  -2.064
   54   HD12  LEU   6          HD12      LEU   6  -5.272   6.065  -1.474
   55   HD13  LEU   6          HD13      LEU   6  -6.597   5.375  -2.410
   56   HD21  LEU   6          HD21      LEU   6  -6.771   6.638   0.380
   57   HD22  LEU   6          HD22      LEU   6  -7.745   5.396   1.170
   58   HD23  LEU   6          HD23      LEU   6  -8.176   5.962  -0.444
   59    HA   PRO   7           HA       PRO   7  -3.846   1.629   2.283
   60    HB2  PRO   7           HB2      PRO   7  -5.220  -0.908   3.016
   61    HB3  PRO   7           HB1      PRO   7  -4.593   0.374   4.065
   62    HG2  PRO   7           HG2      PRO   7  -7.192   0.148   3.674
   63    HG3  PRO   7           HG1      PRO   7  -6.429   1.750   3.678
   64    HD2  PRO   7           HD2      PRO   7  -7.315   0.084   1.358
   65    HD3  PRO   7           HD1      PRO   7  -7.496   1.828   1.636
   66    H    ARG   8           HN       ARG   8  -5.060  -0.868   0.172
   67    HA   ARG   8           HA       ARG   8  -2.775  -2.573   0.207
   68    HB2  ARG   8           HB2      ARG   8  -4.819  -2.107  -1.964
   69    HB3  ARG   8           HB1      ARG   8  -3.645  -3.412  -1.985
   70    HG2  ARG   8           HG2      ARG   8  -5.846  -3.058   0.051
   71    HG3  ARG   8           HG1      ARG   8  -5.957  -4.075  -1.379
   72    HD2  ARG   8           HD2      ARG   8  -5.430  -5.555   0.356
   73    HD3  ARG   8           HD1      ARG   8  -3.891  -5.274  -0.447
   74    HE   ARG   8           HE       ARG   8  -4.509  -3.596   1.822
   75   HH11  ARG   8          HH11      ARG   8  -2.741  -6.463   0.648
   76   HH12  ARG   8          HH12      ARG   8  -1.798  -6.616   2.046
   77   HH21  ARG   8          HH21      ARG   8  -3.177  -3.857   3.762
   78   HH22  ARG   8          HH22      ARG   8  -2.047  -5.107   3.844
   79    H    ILE   9           HN       ILE   9  -3.855   0.034  -1.965
   80    HA   ILE   9           HA       ILE   9  -1.600   0.231  -3.642
   81    HB   ILE   9           HB       ILE   9  -3.575   2.346  -2.724
   82   HG12  ILE   9          HG12      ILE   9  -3.436   0.788  -5.318
   83   HG13  ILE   9          HG11      ILE   9  -4.542   0.464  -3.989
   84   HG21  ILE   9          HG21      ILE   9  -1.610   3.514  -3.448
   85   HG22  ILE   9          HG22      ILE   9  -2.859   3.694  -4.685
   86   HG23  ILE   9          HG23      ILE   9  -1.530   2.559  -4.924
   87   HD11  ILE   9          HD11      ILE   9  -4.463   2.972  -5.651
   88   HD12  ILE   9          HD12      ILE   9  -5.586   2.647  -4.331
   89   HD13  ILE   9          HD13      ILE   9  -5.638   1.667  -5.796
   90    H    LYS  10           HN       LYS  10  -2.402   1.673  -0.597
   91    HA   LYS  10           HA       LYS  10  -0.250   3.404  -0.189
   92    HB2  LYS  10           HB2      LYS  10  -2.347   3.293   1.162
   93    HB3  LYS  10           HB1      LYS  10  -1.771   1.791   1.861
   94    HG2  LYS  10           HG2      LYS  10   0.151   3.004   2.788
   95    HG3  LYS  10           HG1      LYS  10  -0.543   4.517   2.189
   96    HD2  LYS  10           HD2      LYS  10  -2.586   3.998   3.535
   97    HD3  LYS  10           HD1      LYS  10  -1.722   2.618   4.214
   98    HE2  LYS  10           HE2      LYS  10  -0.975   5.530   4.465
   99    HE3  LYS  10           HE1      LYS  10  -1.595   4.488   5.731
  100    HZ1  LYS  10           HZ1      LYS  10   0.456   3.163   5.576
  101    HZ2  LYS  10           HZ2      LYS  10   0.764   4.772   5.935
  102    HZ3  LYS  10           HZ3      LYS  10   1.050   4.217   4.384
  103    H    LYS  11           HN       LYS  11  -0.608  -0.068   0.352
  104    HA   LYS  11           HA       LYS  11   1.911  -0.292   1.668
  105    HB2  LYS  11           HB2      LYS  11   0.106  -1.849   2.241
  106    HB3  LYS  11           HB1      LYS  11   0.109  -2.472   0.596
  107    HG2  LYS  11           HG2      LYS  11   2.409  -3.263   0.906
  108    HG3  LYS  11           HG1      LYS  11   2.384  -2.659   2.558
  109    HD2  LYS  11           HD2      LYS  11   0.638  -4.212   3.144
  110    HD3  LYS  11           HD1      LYS  11   0.508  -4.752   1.467
  111    HE2  LYS  11           HE2      LYS  11   1.819  -6.348   2.760
  112    HE3  LYS  11           HE1      LYS  11   2.816  -5.553   1.552
  113    HZ1  LYS  11           HZ1      LYS  11   2.734  -4.885   4.443
  114    HZ2  LYS  11           HZ2      LYS  11   3.670  -4.082   3.307
  115    HZ3  LYS  11           HZ3      LYS  11   3.986  -5.685   3.655
  116    H    LYS  12           HN       LYS  12   0.710  -0.678  -1.589
  117    HA   LYS  12           HA       LYS  12   2.817  -2.053  -2.807
  118    HB2  LYS  12           HB2      LYS  12   1.226   0.248  -3.970
  119    HB3  LYS  12           HB1      LYS  12   2.247  -0.832  -4.895
  120    HG2  LYS  12           HG2      LYS  12  -0.249  -1.602  -3.397
  121    HG3  LYS  12           HG1      LYS  12  -0.108  -1.385  -5.142
  122    HD2  LYS  12           HD2      LYS  12   1.552  -3.215  -5.189
  123    HD3  LYS  12           HD1      LYS  12   1.298  -3.457  -3.460
  124    HE2  LYS  12           HE2      LYS  12  -1.111  -3.842  -3.939
  125    HE3  LYS  12           HE1      LYS  12  -0.732  -3.762  -5.657
  126    HZ1  LYS  12           HZ1      LYS  12   0.310  -5.740  -3.719
  127    HZ2  LYS  12           HZ2      LYS  12   0.791  -5.663  -5.325
  128    HZ3  LYS  12           HZ3      LYS  12  -0.814  -6.032  -4.932
  129    H    ILE  13           HN       ILE  13   2.418   1.379  -2.272
  130    HA   ILE  13           HA       ILE  13   5.065   1.938  -3.236
  131    HB   ILE  13           HB       ILE  13   4.566   4.302  -2.677
  132   HG12  ILE  13          HG12      ILE  13   1.866   3.216  -1.810
  133   HG13  ILE  13          HG11      ILE  13   3.072   3.909  -0.737
  134   HG21  ILE  13          HG21      ILE  13   4.036   3.418  -4.859
  135   HG22  ILE  13          HG22      ILE  13   2.804   4.584  -4.370
  136   HG23  ILE  13          HG23      ILE  13   2.469   2.854  -4.278
  137   HD11  ILE  13          HD11      ILE  13   1.269   5.478  -1.224
  138   HD12  ILE  13          HD12      ILE  13   1.635   5.372  -2.946
  139   HD13  ILE  13          HD13      ILE  13   2.814   6.068  -1.834
  140    H    LEU  14           HN       LEU  14   3.627   1.270  -0.212
  141    HA   LEU  14           HA       LEU  14   5.576   2.441   1.504
  142    HB2  LEU  14           HB2      LEU  14   3.312   1.695   2.244
  143    HB3  LEU  14           HB1      LEU  14   3.818   0.052   1.935
  144    HG   LEU  14           HG       LEU  14   5.484   0.206   3.718
  145   HD11  LEU  14          HD11      LEU  14   5.440   2.077   5.287
  146   HD12  LEU  14          HD12      LEU  14   4.286   2.921   4.261
  147   HD13  LEU  14          HD13      LEU  14   5.920   2.603   3.675
  148   HD21  LEU  14          HD21      LEU  14   2.665   0.909   4.508
  149   HD22  LEU  14          HD22      LEU  14   3.874   0.215   5.585
  150   HD23  LEU  14          HD23      LEU  14   3.296  -0.707   4.195
  151    H    ALA  15           HN       ALA  15   5.163  -0.658  -0.069
  152    HA   ALA  15           HA       ALA  15   7.337  -1.983   1.130
  153    HB1  ALA  15           HB1      ALA  15   7.062  -3.628  -0.635
  154    HB2  ALA  15           HB2      ALA  15   6.046  -2.500  -1.535
  155    HB3  ALA  15           HB3      ALA  15   5.491  -3.143   0.008
  156    H    ALA  16           HN       ALA  16   7.138   0.336  -1.345
  157    HA   ALA  16           HA       ALA  16   9.770  -0.256  -2.393
  158    HB1  ALA  16           HB1      ALA  16   7.859   1.970  -3.075
  159    HB2  ALA  16           HB2      ALA  16   7.995   0.431  -3.922
  160    HB3  ALA  16           HB3      ALA  16   9.340   1.572  -3.946
  161    H    ALA  17           HN       ALA  17   8.153   2.507  -0.819
  162    HA   ALA  17           HA       ALA  17  10.517   4.038  -0.517
  163    HB1  ALA  17           HB1      ALA  17   9.176   5.532   0.838
  164    HB2  ALA  17           HB2      ALA  17   7.909   4.309   0.963
  165    HB3  ALA  17           HB3      ALA  17   8.287   5.033  -0.600
  166    H    PHE  18           HN       PHE  18   8.928   1.741   1.589
  167    HA   PHE  18           HA       PHE  18  10.955   2.250   3.656
  168    HB2  PHE  18           HB2      PHE  18   8.499   2.575   4.248
  169    HB3  PHE  18           HB1      PHE  18   8.247   0.882   3.896
  170    HD1  PHE  18           HD1      PHE  18   9.342  -0.837   5.398
  171    HD2  PHE  18           HD2      PHE  18   9.300   3.316   6.312
  172    HE1  PHE  18           HE1      PHE  18   9.813  -1.354   7.746
  173    HE2  PHE  18           HE2      PHE  18   9.786   2.806   8.662
  174    HZ   PHE  18           HZ       PHE  18  10.043   0.467   9.387
  175    H    LYS  19           HN       LYS  19  12.143   0.387   4.333
  176    HA   LYS  19           HA       LYS  19  11.913  -1.818   2.421
  177    HB2  LYS  19           HB2      LYS  19  14.309  -1.049   4.098
  178    HB3  LYS  19           HB1      LYS  19  14.260  -2.291   2.858
  179    HG2  LYS  19           HG2      LYS  19  13.986   0.681   2.444
  180    HG3  LYS  19           HG1      LYS  19  15.372  -0.324   2.023
  181    HD2  LYS  19           HD2      LYS  19  13.970  -1.543   0.405
  182    HD3  LYS  19           HD1      LYS  19  12.600  -0.515   0.828
  183    HE2  LYS  19           HE2      LYS  19  13.885   1.456   0.098
  184    HE3  LYS  19           HE1      LYS  19  15.204   0.397  -0.391
  185    HZ1  LYS  19           HZ1      LYS  19  13.913   0.929  -2.287
  186    HZ2  LYS  19           HZ2      LYS  19  12.477   0.517  -1.509
  187    HZ3  LYS  19           HZ3      LYS  19  13.575  -0.689  -1.916
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1 -17.842   4.078   4.909
    2    H3   PRO   1           HT2      PRO   1 -16.817   4.504   3.531
    3    HA   PRO   1           HA       PRO   1 -15.897   2.910   5.813
    4    HB2  PRO   1           HB2      PRO   1 -16.267   1.408   3.353
    5    HB3  PRO   1           HB1      PRO   1 -16.829   1.011   4.980
    6    HG2  PRO   1           HG2      PRO   1 -18.529   1.757   3.008
    7    HG3  PRO   1           HG1      PRO   1 -18.825   2.131   4.715
    8    HD2  PRO   1           HD2      PRO   1 -17.756   3.832   2.532
    9    HD3  PRO   1           HD1      PRO   1 -18.917   4.291   3.761
   10    H    MET   2           HN       MET   2 -13.815   1.928   5.201
   11    HA   MET   2           HA       MET   2 -12.431   3.705   3.462
   12    HB2  MET   2           HB2      MET   2 -11.539   1.414   5.183
   13    HB3  MET   2           HB1      MET   2 -10.438   2.349   4.182
   14    HG2  MET   2           HG2      MET   2 -12.193   3.470   6.340
   15    HG3  MET   2           HG1      MET   2 -10.482   3.104   6.514
   16    HE1  MET   2           HE1      MET   2 -10.092   5.655   7.343
   17    HE2  MET   2           HE2      MET   2 -11.816   5.965   7.144
   18    HE3  MET   2           HE3      MET   2 -10.633   7.064   6.431
   19    H    ALA   3           HN       ALA   3 -11.904   3.368   1.474
   20    HA   ALA   3           HA       ALA   3 -12.796   1.100   0.023
   21    HB1  ALA   3           HB1      ALA   3 -10.866   3.305  -0.735
   22    HB2  ALA   3           HB2      ALA   3 -12.603   3.299  -1.036
   23    HB3  ALA   3           HB3      ALA   3 -11.561   2.150  -1.868
   24    H    LYS   4           HN       LYS   4 -11.863  -0.851   0.176
   25    HA   LYS   4           HA       LYS   4  -9.544  -1.343   1.563
   26    HB2  LYS   4           HB2      LYS   4 -11.166  -3.057  -0.273
   27    HB3  LYS   4           HB1      LYS   4  -9.974  -3.641   0.889
   28    HG2  LYS   4           HG2      LYS   4 -11.237  -2.836   2.727
   29    HG3  LYS   4           HG1      LYS   4 -12.347  -1.969   1.669
   30    HD2  LYS   4           HD2      LYS   4 -13.155  -4.037   0.771
   31    HD3  LYS   4           HD1      LYS   4 -11.939  -4.910   1.709
   32    HE2  LYS   4           HE2      LYS   4 -13.002  -4.124   3.790
   33    HE3  LYS   4           HE1      LYS   4 -14.185  -3.230   2.843
   34    HZ1  LYS   4           HZ1      LYS   4 -15.112  -5.265   3.635
   35    HZ2  LYS   4           HZ2      LYS   4 -13.893  -6.185   2.938
   36    HZ3  LYS   4           HZ3      LYS   4 -14.993  -5.346   1.960
   37    H    LEU   5           HN       LEU   5  -9.909  -0.621  -1.790
   38    HA   LEU   5           HA       LEU   5  -7.507  -1.911  -2.643
   39    HB2  LEU   5           HB2      LEU   5  -9.079   0.339  -3.885
   40    HB3  LEU   5           HB1      LEU   5  -7.692  -0.413  -4.642
   41    HG   LEU   5           HG       LEU   5 -10.273  -1.831  -3.962
   42   HD11  LEU   5          HD11      LEU   5 -10.648  -1.842  -6.370
   43   HD12  LEU   5          HD12      LEU   5  -9.185  -0.883  -6.606
   44   HD13  LEU   5          HD13      LEU   5 -10.562  -0.196  -5.743
   45   HD21  LEU   5          HD21      LEU   5  -9.349  -3.622  -5.357
   46   HD22  LEU   5          HD22      LEU   5  -8.379  -3.343  -3.918
   47   HD23  LEU   5          HD23      LEU   5  -7.828  -2.736  -5.483
   48    H    LEU   6           HN       LEU   6  -8.228   1.123  -1.168
   49    HA   LEU   6           HA       LEU   6  -5.874   2.446  -1.991
   50    HB2  LEU   6           HB2      LEU   6  -7.682   3.075   0.318
   51    HB3  LEU   6           HB1      LEU   6  -6.383   4.111  -0.238
   52    HG   LEU   6           HG       LEU   6  -8.858   3.357  -1.778
   53   HD11  LEU   6          HD11      LEU   6  -7.971   5.938  -0.514
   54   HD12  LEU   6          HD12      LEU   6  -9.318   4.916  -0.005
   55   HD13  LEU   6          HD13      LEU   6  -9.377   5.749  -1.558
   56   HD21  LEU   6          HD21      LEU   6  -8.062   4.976  -3.449
   57   HD22  LEU   6          HD22      LEU   6  -6.970   3.609  -3.294
   58   HD23  LEU   6          HD23      LEU   6  -6.552   5.157  -2.554
   59    HA   PRO   7           HA       PRO   7  -3.940   1.204   2.310
   60    HB2  PRO   7           HB2      PRO   7  -5.209  -1.447   2.671
   61    HB3  PRO   7           HB1      PRO   7  -4.782  -0.237   3.884
   62    HG2  PRO   7           HG2      PRO   7  -7.315  -0.630   3.195
   63    HG3  PRO   7           HG1      PRO   7  -6.705   1.005   3.514
   64    HD2  PRO   7           HD2      PRO   7  -7.231  -0.358   0.912
   65    HD3  PRO   7           HD1      PRO   7  -7.574   1.312   1.392
   66    H    ARG   8           HN       ARG   8  -4.975  -0.981  -0.201
   67    HA   ARG   8           HA       ARG   8  -2.676  -2.670  -0.097
   68    HB2  ARG   8           HB2      ARG   8  -4.524  -2.177  -2.439
   69    HB3  ARG   8           HB1      ARG   8  -3.418  -3.531  -2.254
   70    HG2  ARG   8           HG2      ARG   8  -4.702  -4.313  -0.329
   71    HG3  ARG   8           HG1      ARG   8  -5.809  -2.952  -0.526
   72    HD2  ARG   8           HD2      ARG   8  -6.842  -4.829  -1.537
   73    HD3  ARG   8           HD1      ARG   8  -6.267  -3.794  -2.841
   74    HE   ARG   8           HE       ARG   8  -4.534  -5.942  -1.976
   75   HH11  ARG   8          HH11      ARG   8  -6.623  -4.639  -4.499
   76   HH12  ARG   8          HH12      ARG   8  -6.394  -5.960  -5.561
   77   HH21  ARG   8          HH21      ARG   8  -4.223  -7.741  -3.444
   78   HH22  ARG   8          HH22      ARG   8  -4.992  -7.754  -4.954
   79    H    ILE   9           HN       ILE   9  -3.653   0.111  -2.049
   80    HA   ILE   9           HA       ILE   9  -1.284   0.323  -3.551
   81    HB   ILE   9           HB       ILE   9  -3.217   2.526  -2.730
   82   HG12  ILE   9          HG12      ILE   9  -3.064   0.898  -5.284
   83   HG13  ILE   9          HG11      ILE   9  -4.256   0.680  -4.012
   84   HG21  ILE   9          HG21      ILE   9  -1.125   2.522  -4.920
   85   HG22  ILE   9          HG22      ILE   9  -1.072   3.471  -3.433
   86   HG23  ILE   9          HG23      ILE   9  -2.314   3.795  -4.641
   87   HD11  ILE   9          HD11      ILE   9  -5.123   2.927  -4.453
   88   HD12  ILE   9          HD12      ILE   9  -5.185   1.904  -5.888
   89   HD13  ILE   9          HD13      ILE   9  -3.926   3.130  -5.733
   90    H    LYS  10           HN       LYS  10  -2.262   1.706  -0.455
   91    HA   LYS  10           HA       LYS  10   0.082   3.218  -0.053
   92    HB2  LYS  10           HB2      LYS  10  -1.930   2.194   1.943
   93    HB3  LYS  10           HB1      LYS  10  -0.612   3.281   2.356
   94    HG2  LYS  10           HG2      LYS  10  -1.509   4.939   0.768
   95    HG3  LYS  10           HG1      LYS  10  -2.861   3.854   0.437
   96    HD2  LYS  10           HD2      LYS  10  -3.529   3.959   2.782
   97    HD3  LYS  10           HD1      LYS  10  -2.154   5.003   3.131
   98    HE2  LYS  10           HE2      LYS  10  -4.177   6.327   2.925
   99    HE3  LYS  10           HE1      LYS  10  -3.066   6.701   1.611
  100    HZ1  LYS  10           HZ1      LYS  10  -5.402   4.899   1.428
  101    HZ2  LYS  10           HZ2      LYS  10  -4.386   5.364   0.130
  102    HZ3  LYS  10           HZ3      LYS  10  -5.357   6.495   0.907
  103    H    LYS  11           HN       LYS  11  -0.719  -0.077   0.602
  104    HA   LYS  11           HA       LYS  11   1.538  -0.710   2.207
  105    HB2  LYS  11           HB2      LYS  11  -0.511  -2.023   2.234
  106    HB3  LYS  11           HB1      LYS  11  -0.316  -2.420   0.540
  107    HG2  LYS  11           HG2      LYS  11   1.634  -3.754   1.035
  108    HG3  LYS  11           HG1      LYS  11   1.559  -3.283   2.732
  109    HD2  LYS  11           HD2      LYS  11  -0.599  -4.801   1.261
  110    HD3  LYS  11           HD1      LYS  11   0.615  -5.538   2.308
  111    HE2  LYS  11           HE2      LYS  11  -0.231  -4.209   4.201
  112    HE3  LYS  11           HE1      LYS  11  -1.452  -3.495   3.151
  113    HZ1  LYS  11           HZ1      LYS  11  -2.417  -5.673   2.835
  114    HZ2  LYS  11           HZ2      LYS  11  -2.338  -5.319   4.472
  115    HZ3  LYS  11           HZ3      LYS  11  -1.230  -6.377   3.793
  116    H    LYS  12           HN       LYS  12   0.778  -0.893  -1.228
  117    HA   LYS  12           HA       LYS  12   3.157  -2.081  -2.081
  118    HB2  LYS  12           HB2      LYS  12   1.244  -0.230  -3.497
  119    HB3  LYS  12           HB1      LYS  12   2.615  -0.993  -4.288
  120    HG2  LYS  12           HG2      LYS  12   1.700  -3.182  -3.896
  121    HG3  LYS  12           HG1      LYS  12   0.400  -2.502  -2.916
  122    HD2  LYS  12           HD2      LYS  12  -0.356  -3.092  -5.190
  123    HD3  LYS  12           HD1      LYS  12  -0.510  -1.367  -4.870
  124    HE2  LYS  12           HE2      LYS  12   1.543  -0.944  -6.105
  125    HE3  LYS  12           HE1      LYS  12   1.749  -2.673  -6.372
  126    HZ1  LYS  12           HZ1      LYS  12   0.785  -1.470  -8.276
  127    HZ2  LYS  12           HZ2      LYS  12  -0.571  -1.087  -7.357
  128    HZ3  LYS  12           HZ3      LYS  12  -0.214  -2.695  -7.722
  129    H    ILE  13           HN       ILE  13   2.260   1.366  -1.975
  130    HA   ILE  13           HA       ILE  13   4.791   2.244  -2.874
  131    HB   ILE  13           HB       ILE  13   4.127   4.519  -2.221
  132   HG12  ILE  13          HG12      ILE  13   1.707   3.186  -1.030
  133   HG13  ILE  13          HG11      ILE  13   2.997   3.922  -0.094
  134   HG21  ILE  13          HG21      ILE  13   2.112   4.703  -3.613
  135   HG22  ILE  13          HG22      ILE  13   1.932   2.949  -3.554
  136   HG23  ILE  13          HG23      ILE  13   3.343   3.665  -4.331
  137   HD11  ILE  13          HD11      ILE  13   2.423   6.111  -1.073
  138   HD12  ILE  13          HD12      ILE  13   1.076   5.394  -0.187
  139   HD13  ILE  13          HD13      ILE  13   1.099   5.345  -1.953
  140    H    LEU  14           HN       LEU  14   3.597   1.558   0.351
  141    HA   LEU  14           HA       LEU  14   5.660   2.859   1.778
  142    HB2  LEU  14           HB2      LEU  14   3.578   2.078   2.834
  143    HB3  LEU  14           HB1      LEU  14   4.049   0.418   2.543
  144    HG   LEU  14           HG       LEU  14   6.009   0.771   4.042
  145   HD11  LEU  14          HD11      LEU  14   5.986   2.689   5.569
  146   HD12  LEU  14          HD12      LEU  14   4.649   3.388   4.655
  147   HD13  LEU  14          HD13      LEU  14   6.222   3.174   3.889
  148   HD21  LEU  14          HD21      LEU  14   3.287   1.245   5.257
  149   HD22  LEU  14          HD22      LEU  14   4.712   0.678   6.125
  150   HD23  LEU  14          HD23      LEU  14   3.996  -0.319   4.858
  151    H    ALA  15           HN       ALA  15   5.276  -0.400   0.540
  152    HA   ALA  15           HA       ALA  15   7.766  -1.348   1.547
  153    HB1  ALA  15           HB1      ALA  15   5.901  -2.856   1.130
  154    HB2  ALA  15           HB2      ALA  15   7.310  -3.330   0.175
  155    HB3  ALA  15           HB3      ALA  15   5.971  -2.475  -0.587
  156    H    ALA  16           HN       ALA  16   6.663  -0.022  -1.516
  157    HA   ALA  16           HA       ALA  16   8.990  -0.583  -3.009
  158    HB1  ALA  16           HB1      ALA  16   6.989   1.637  -3.421
  159    HB2  ALA  16           HB2      ALA  16   6.844  -0.003  -4.052
  160    HB3  ALA  16           HB3      ALA  16   8.145   1.048  -4.615
  161    H    ALA  17           HN       ALA  17   8.023   2.219  -1.081
  162    HA   ALA  17           HA       ALA  17  10.375   3.714  -1.723
  163    HB1  ALA  17           HB1      ALA  17   9.578   5.270  -0.008
  164    HB2  ALA  17           HB2      ALA  17   8.335   4.109   0.459
  165    HB3  ALA  17           HB3      ALA  17   8.311   4.834  -1.150
  166    H    PHE  18           HN       PHE  18   9.743   1.163   0.366
  167    HA   PHE  18           HA       PHE  18  11.723   1.868   2.337
  168    HB2  PHE  18           HB2      PHE  18   9.647   0.492   2.850
  169    HB3  PHE  18           HB1      PHE  18  10.355  -0.802   1.897
  170    HD1  PHE  18           HD1      PHE  18  10.583   1.124   4.995
  171    HD2  PHE  18           HD2      PHE  18  12.174  -2.135   2.770
  172    HE1  PHE  18           HE1      PHE  18  11.740   0.320   7.007
  173    HE2  PHE  18           HE2      PHE  18  13.332  -2.940   4.779
  174    HZ   PHE  18           HZ       PHE  18  13.110  -1.711   6.904
  175    H    LYS  19           HN       LYS  19  13.679   1.975   1.444
  176    HA   LYS  19           HA       LYS  19  14.669  -0.386   0.080
  177    HB2  LYS  19           HB2      LYS  19  14.139   1.337  -1.603
  178    HB3  LYS  19           HB1      LYS  19  15.144   2.490  -0.742
  179    HG2  LYS  19           HG2      LYS  19  17.123   1.236  -1.260
  180    HG3  LYS  19           HG1      LYS  19  16.159  -0.065  -1.958
  181    HD2  LYS  19           HD2      LYS  19  15.349   1.463  -3.694
  182    HD3  LYS  19           HD1      LYS  19  16.308   2.766  -2.993
  183    HE2  LYS  19           HE2      LYS  19  17.384   1.730  -4.956
  184    HE3  LYS  19           HE1      LYS  19  18.357   1.587  -3.496
  185    HZ1  LYS  19           HZ1      LYS  19  18.265  -0.472  -4.830
  186    HZ2  LYS  19           HZ2      LYS  19  16.612  -0.601  -4.548
  187    HZ3  LYS  19           HZ3      LYS  19  17.694  -0.694  -3.273
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1 -17.762   0.725  -6.483
    2    H3   PRO   1           HT2      PRO   1 -16.844  -0.556  -5.705
    3    HA   PRO   1           HA       PRO   1 -16.059   2.273  -5.835
    4    HB2  PRO   1           HB2      PRO   1 -16.849   1.305  -3.202
    5    HB3  PRO   1           HB1      PRO   1 -17.315   2.796  -4.035
    6    HG2  PRO   1           HG2      PRO   1 -19.038   0.728  -3.683
    7    HG3  PRO   1           HG1      PRO   1 -19.114   1.812  -5.080
    8    HD2  PRO   1           HD2      PRO   1 -18.044  -0.938  -4.840
    9    HD3  PRO   1           HD1      PRO   1 -18.930  -0.249  -6.182
   10    H    MET   2           HN       MET   2 -13.900   2.131  -5.800
   11    HA   MET   2           HA       MET   2 -12.527  -0.100  -4.655
   12    HB2  MET   2           HB2      MET   2 -11.463   2.537  -5.687
   13    HB3  MET   2           HB1      MET   2 -10.458   1.195  -5.168
   14    HG2  MET   2           HG2      MET   2 -11.381  -0.188  -6.948
   15    HG3  MET   2           HG1      MET   2 -12.407   1.154  -7.458
   16    HE1  MET   2           HE1      MET   2 -11.479   0.912  -9.934
   17    HE2  MET   2           HE2      MET   2 -10.457  -0.426  -9.412
   18    HE3  MET   2           HE3      MET   2  -9.761   0.900 -10.339
   19    H    ALA   3           HN       ALA   3 -12.945  -0.208  -2.551
   20    HA   ALA   3           HA       ALA   3 -12.027   2.041  -0.897
   21    HB1  ALA   3           HB1      ALA   3 -14.415   1.583  -0.638
   22    HB2  ALA   3           HB2      ALA   3 -13.527   1.250   0.852
   23    HB3  ALA   3           HB3      ALA   3 -14.045  -0.080  -0.180
   24    H    LYS   4           HN       LYS   4 -11.924  -1.434  -1.387
   25    HA   LYS   4           HA       LYS   4 -10.293  -1.880   0.939
   26    HB2  LYS   4           HB2      LYS   4 -11.190  -3.702  -1.293
   27    HB3  LYS   4           HB1      LYS   4 -10.065  -4.229  -0.059
   28    HG2  LYS   4           HG2      LYS   4 -12.284  -5.017   0.467
   29    HG3  LYS   4           HG1      LYS   4 -11.797  -3.820   1.658
   30    HD2  LYS   4           HD2      LYS   4 -13.172  -2.141   0.551
   31    HD3  LYS   4           HD1      LYS   4 -13.606  -3.300  -0.706
   32    HE2  LYS   4           HE2      LYS   4 -14.707  -4.704   0.943
   33    HE3  LYS   4           HE1      LYS   4 -14.222  -3.602   2.228
   34    HZ1  LYS   4           HZ1      LYS   4 -15.584  -1.895   1.268
   35    HZ2  LYS   4           HZ2      LYS   4 -16.524  -3.263   1.523
   36    HZ3  LYS   4           HZ3      LYS   4 -16.013  -2.878  -0.034
   37    H    LEU   5           HN       LEU   5  -9.787  -1.209  -2.379
   38    HA   LEU   5           HA       LEU   5  -7.081  -2.151  -2.475
   39    HB2  LEU   5           HB2      LEU   5  -8.595  -0.304  -4.323
   40    HB3  LEU   5           HB1      LEU   5  -6.927  -0.750  -4.582
   41    HG   LEU   5           HG       LEU   5  -7.685  -3.145  -4.768
   42   HD11  LEU   5          HD11      LEU   5  -9.809  -2.979  -3.610
   43   HD12  LEU   5          HD12      LEU   5 -10.014  -3.587  -5.253
   44   HD13  LEU   5          HD13      LEU   5 -10.423  -1.912  -4.876
   45   HD21  LEU   5          HD21      LEU   5  -7.172  -1.813  -6.724
   46   HD22  LEU   5          HD22      LEU   5  -8.815  -1.172  -6.739
   47   HD23  LEU   5          HD23      LEU   5  -8.536  -2.885  -7.044
   48    H    LEU   6           HN       LEU   6  -8.567   0.578  -1.206
   49    HA   LEU   6           HA       LEU   6  -6.632   2.528  -1.732
   50    HB2  LEU   6           HB2      LEU   6  -8.650   2.455   0.513
   51    HB3  LEU   6           HB1      LEU   6  -7.681   3.844   0.063
   52    HG   LEU   6           HG       LEU   6  -9.698   2.503  -1.731
   53   HD11  LEU   6          HD11      LEU   6 -11.086   4.440  -1.327
   54   HD12  LEU   6          HD12      LEU   6  -9.901   5.083  -0.196
   55   HD13  LEU   6          HD13      LEU   6 -10.755   3.585   0.176
   56   HD21  LEU   6          HD21      LEU   6  -7.922   3.599  -2.988
   57   HD22  LEU   6          HD22      LEU   6  -8.139   5.068  -2.039
   58   HD23  LEU   6          HD23      LEU   6  -9.423   4.514  -3.110
   59    HA   PRO   7           HA       PRO   7  -4.434   1.572   2.420
   60    HB2  PRO   7           HB2      PRO   7  -5.240  -1.195   3.069
   61    HB3  PRO   7           HB1      PRO   7  -5.114   0.203   4.140
   62    HG2  PRO   7           HG2      PRO   7  -7.497  -0.802   3.461
   63    HG3  PRO   7           HG1      PRO   7  -7.252   0.945   3.637
   64    HD2  PRO   7           HD2      PRO   7  -7.347  -0.706   1.139
   65    HD3  PRO   7           HD1      PRO   7  -8.119   0.855   1.482
   66    H    ARG   8           HN       ARG   8  -5.271  -1.042   0.255
   67    HA   ARG   8           HA       ARG   8  -2.878  -2.515   0.409
   68    HB2  ARG   8           HB2      ARG   8  -4.836  -2.389  -1.878
   69    HB3  ARG   8           HB1      ARG   8  -3.581  -3.600  -1.677
   70    HG2  ARG   8           HG2      ARG   8  -4.677  -4.269   0.465
   71    HG3  ARG   8           HG1      ARG   8  -5.983  -3.157   0.072
   72    HD2  ARG   8           HD2      ARG   8  -6.568  -5.425  -0.589
   73    HD3  ARG   8           HD1      ARG   8  -6.407  -4.388  -2.005
   74    HE   ARG   8           HE       ARG   8  -3.945  -5.482  -1.748
   75   HH11  ARG   8          HH11      ARG   8  -7.172  -6.921  -1.970
   76   HH12  ARG   8          HH12      ARG   8  -6.615  -8.334  -2.745
   77   HH21  ARG   8          HH21      ARG   8  -3.200  -7.408  -2.744
   78   HH22  ARG   8          HH22      ARG   8  -4.317  -8.628  -3.182
   79    H    ILE   9           HN       ILE   9  -3.900  -0.023  -1.912
   80    HA   ILE   9           HA       ILE   9  -1.565  -0.200  -3.468
   81    HB   ILE   9           HB       ILE   9  -3.579   0.882  -4.377
   82   HG12  ILE   9          HG12      ILE   9  -1.253   2.820  -4.234
   83   HG13  ILE   9          HG11      ILE   9  -1.404   1.473  -5.354
   84   HG21  ILE   9          HG21      ILE   9  -4.260   3.136  -3.701
   85   HG22  ILE   9          HG22      ILE   9  -3.063   3.099  -2.406
   86   HG23  ILE   9          HG23      ILE   9  -4.418   1.971  -2.385
   87   HD11  ILE   9          HD11      ILE   9  -1.929   3.599  -6.420
   88   HD12  ILE   9          HD12      ILE   9  -3.217   3.876  -5.245
   89   HD13  ILE   9          HD13      ILE   9  -3.336   2.539  -6.387
   90    H    LYS  10           HN       LYS  10  -2.293   1.620  -0.588
   91    HA   LYS  10           HA       LYS  10   0.015   3.260  -0.657
   92    HB2  LYS  10           HB2      LYS  10  -1.737   2.444   1.655
   93    HB3  LYS  10           HB1      LYS  10  -0.445   3.633   1.765
   94    HG2  LYS  10           HG2      LYS  10  -1.591   5.030   0.126
   95    HG3  LYS  10           HG1      LYS  10  -2.885   3.834   0.019
   96    HD2  LYS  10           HD2      LYS  10  -3.387   4.151   2.381
   97    HD3  LYS  10           HD1      LYS  10  -2.071   5.316   2.517
   98    HE2  LYS  10           HE2      LYS  10  -4.218   6.435   2.315
   99    HE3  LYS  10           HE1      LYS  10  -3.191   6.779   0.926
  100    HZ1  LYS  10           HZ1      LYS  10  -4.441   5.197  -0.381
  101    HZ2  LYS  10           HZ2      LYS  10  -5.528   6.276   0.325
  102    HZ3  LYS  10           HZ3      LYS  10  -5.336   4.728   0.963
  103    H    LYS  11           HN       LYS  11  -0.650   0.080   0.628
  104    HA   LYS  11           HA       LYS  11   1.758  -0.263   2.046
  105    HB2  LYS  11           HB2      LYS  11   0.054  -2.332   0.662
  106    HB3  LYS  11           HB1      LYS  11   1.390  -2.707   1.732
  107    HG2  LYS  11           HG2      LYS  11   0.208  -1.604   3.570
  108    HG3  LYS  11           HG1      LYS  11  -1.142  -1.268   2.482
  109    HD2  LYS  11           HD2      LYS  11  -1.416  -3.671   2.092
  110    HD3  LYS  11           HD1      LYS  11  -0.084  -3.999   3.196
  111    HE2  LYS  11           HE2      LYS  11  -2.677  -2.639   3.915
  112    HE3  LYS  11           HE1      LYS  11  -2.260  -4.315   4.260
  113    HZ1  LYS  11           HZ1      LYS  11  -0.464  -3.557   5.676
  114    HZ2  LYS  11           HZ2      LYS  11  -1.916  -2.842   6.174
  115    HZ3  LYS  11           HZ3      LYS  11  -0.802  -1.955   5.305
  116    H    LYS  12           HN       LYS  12   0.972  -0.505  -1.318
  117    HA   LYS  12           HA       LYS  12   3.357  -1.892  -2.118
  118    HB2  LYS  12           HB2      LYS  12   1.646  -0.110  -3.849
  119    HB3  LYS  12           HB1      LYS  12   2.699  -1.411  -4.383
  120    HG2  LYS  12           HG2      LYS  12   0.120  -1.679  -2.852
  121    HG3  LYS  12           HG1      LYS  12   0.393  -2.085  -4.545
  122    HD2  LYS  12           HD2      LYS  12   1.934  -3.847  -3.885
  123    HD3  LYS  12           HD1      LYS  12   1.729  -3.409  -2.186
  124    HE2  LYS  12           HE2      LYS  12  -0.659  -3.932  -2.347
  125    HE3  LYS  12           HE1      LYS  12  -0.429  -4.378  -4.037
  126    HZ1  LYS  12           HZ1      LYS  12  -0.479  -6.298  -2.615
  127    HZ2  LYS  12           HZ2      LYS  12   0.819  -5.714  -1.708
  128    HZ3  LYS  12           HZ3      LYS  12   1.045  -6.133  -3.335
  129    H    ILE  13           HN       ILE  13   2.309   1.432  -1.906
  130    HA   ILE  13           HA       ILE  13   4.578   2.672  -3.059
  131    HB   ILE  13           HB       ILE  13   2.672   3.777  -0.960
  132   HG12  ILE  13          HG12      ILE  13   2.525   4.034  -3.974
  133   HG13  ILE  13          HG11      ILE  13   1.540   2.933  -3.020
  134   HG21  ILE  13          HG21      ILE  13   3.325   5.986  -1.832
  135   HG22  ILE  13          HG22      ILE  13   4.476   5.211  -2.921
  136   HG23  ILE  13          HG23      ILE  13   4.710   5.110  -1.176
  137   HD11  ILE  13          HD11      ILE  13   0.530   4.846  -1.875
  138   HD12  ILE  13          HD12      ILE  13   0.306   4.937  -3.621
  139   HD13  ILE  13          HD13      ILE  13   1.531   5.933  -2.835
  140    H    LEU  14           HN       LEU  14   3.626   1.885   0.240
  141    HA   LEU  14           HA       LEU  14   5.914   2.813   1.547
  142    HB2  LEU  14           HB2      LEU  14   3.847   2.261   2.719
  143    HB3  LEU  14           HB1      LEU  14   4.025   0.577   2.284
  144    HG   LEU  14           HG       LEU  14   6.043   0.431   3.699
  145   HD11  LEU  14          HD11      LEU  14   5.363   3.265   4.470
  146   HD12  LEU  14          HD12      LEU  14   6.795   2.739   3.579
  147   HD13  LEU  14          HD13      LEU  14   6.567   2.244   5.255
  148   HD21  LEU  14          HD21      LEU  14   4.889   0.563   5.846
  149   HD22  LEU  14          HD22      LEU  14   3.862  -0.159   4.609
  150   HD23  LEU  14          HD23      LEU  14   3.605   1.514   5.101
  151    H    ALA  15           HN       ALA  15   5.116  -0.351   0.157
  152    HA   ALA  15           HA       ALA  15   7.473  -1.679   0.946
  153    HB1  ALA  15           HB1      ALA  15   5.436  -2.866   0.280
  154    HB2  ALA  15           HB2      ALA  15   6.833  -3.401  -0.658
  155    HB3  ALA  15           HB3      ALA  15   5.657  -2.306  -1.378
  156    H    ALA  16           HN       ALA  16   6.930   0.605  -1.509
  157    HA   ALA  16           HA       ALA  16   9.120  -0.179  -3.168
  158    HB1  ALA  16           HB1      ALA  16   8.815   1.994  -4.256
  159    HB2  ALA  16           HB2      ALA  16   7.713   2.484  -2.970
  160    HB3  ALA  16           HB3      ALA  16   7.269   1.169  -4.054
  161    H    ALA  17           HN       ALA  17   8.629   2.173  -0.591
  162    HA   ALA  17           HA       ALA  17  11.385   3.081  -0.711
  163    HB1  ALA  17           HB1      ALA  17  10.759   4.486   1.190
  164    HB2  ALA  17           HB2      ALA  17   9.195   3.675   1.278
  165    HB3  ALA  17           HB3      ALA  17   9.604   4.655  -0.129
  166    H    PHE  18           HN       PHE  18   9.323   1.292   1.503
  167    HA   PHE  18           HA       PHE  18  11.575   0.551   3.151
  168    HB2  PHE  18           HB2      PHE  18   9.665   1.230   4.404
  169    HB3  PHE  18           HB1      PHE  18   8.580   0.272   3.408
  170    HD1  PHE  18           HD1      PHE  18   7.801  -1.694   4.269
  171    HD2  PHE  18           HD2      PHE  18  11.529  -0.197   5.641
  172    HE1  PHE  18           HE1      PHE  18   7.955  -3.558   5.852
  173    HE2  PHE  18           HE2      PHE  18  11.691  -2.058   7.233
  174    HZ   PHE  18           HZ       PHE  18   9.903  -3.744   7.338
  175    H    LYS  19           HN       LYS  19  12.553  -1.294   2.904
  176    HA   LYS  19           HA       LYS  19  11.464  -3.219   1.007
  177    HB2  LYS  19           HB2      LYS  19  14.240  -3.011   2.197
  178    HB3  LYS  19           HB1      LYS  19  13.742  -4.073   0.893
  179    HG2  LYS  19           HG2      LYS  19  13.828  -1.061   0.767
  180    HG3  LYS  19           HG1      LYS  19  15.031  -2.146   0.083
  181    HD2  LYS  19           HD2      LYS  19  13.214  -3.121  -1.341
  182    HD3  LYS  19           HD1      LYS  19  12.141  -1.859  -0.734
  183    HE2  LYS  19           HE2      LYS  19  14.732  -1.392  -2.217
  184    HE3  LYS  19           HE1      LYS  19  13.124  -1.286  -2.924
  185    HZ1  LYS  19           HZ1      LYS  19  14.076   0.426  -0.685
  186    HZ2  LYS  19           HZ2      LYS  19  12.634   0.613  -1.581
  187    HZ3  LYS  19           HZ3      LYS  19  14.128   0.854  -2.301
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1 -17.543   5.630   2.968
    2    H3   PRO   1           HT2      PRO   1 -17.013   4.903   1.469
    3    HA   PRO   1           HA       PRO   1 -15.692   4.695   4.094
    4    HB2  PRO   1           HB2      PRO   1 -16.214   2.162   3.178
    5    HB3  PRO   1           HB1      PRO   1 -17.226   3.031   4.341
    6    HG2  PRO   1           HG2      PRO   1 -17.582   2.732   1.387
    7    HG3  PRO   1           HG1      PRO   1 -18.806   2.698   2.670
    8    HD2  PRO   1           HD2      PRO   1 -18.525   4.851   1.153
    9    HD3  PRO   1           HD1      PRO   1 -18.877   4.968   2.866
   10    H    MET   2           HN       MET   2 -13.704   3.715   3.995
   11    HA   MET   2           HA       MET   2 -12.319   3.985   1.492
   12    HB2  MET   2           HB2      MET   2 -11.359   3.043   4.195
   13    HB3  MET   2           HB1      MET   2 -10.330   3.372   2.811
   14    HG2  MET   2           HG2      MET   2 -11.007   5.730   2.889
   15    HG3  MET   2           HG1      MET   2 -12.007   5.382   4.297
   16    HE1  MET   2           HE1      MET   2  -9.335   4.409   6.998
   17    HE2  MET   2           HE2      MET   2 -10.165   3.297   5.917
   18    HE3  MET   2           HE3      MET   2 -11.051   4.632   6.657
   19    H    ALA   3           HN       ALA   3 -12.148   2.400   0.106
   20    HA   ALA   3           HA       ALA   3 -12.827  -0.296   0.800
   21    HB1  ALA   3           HB1      ALA   3 -11.704   0.890  -1.747
   22    HB2  ALA   3           HB2      ALA   3 -13.410   0.607  -1.405
   23    HB3  ALA   3           HB3      ALA   3 -12.306  -0.755  -1.569
   24    H    LYS   4           HN       LYS   4 -11.314  -2.076   0.759
   25    HA   LYS   4           HA       LYS   4  -8.938  -1.645   2.107
   26    HB2  LYS   4           HB2      LYS   4  -9.693  -3.976   0.379
   27    HB3  LYS   4           HB1      LYS   4  -8.603  -3.976   1.759
   28    HG2  LYS   4           HG2      LYS   4 -10.400  -3.546   3.269
   29    HG3  LYS   4           HG1      LYS   4 -11.532  -3.326   1.936
   30    HD2  LYS   4           HD2      LYS   4 -11.088  -5.629   1.238
   31    HD3  LYS   4           HD1      LYS   4 -10.028  -5.763   2.645
   32    HE2  LYS   4           HE2      LYS   4 -12.223  -6.751   3.098
   33    HE3  LYS   4           HE1      LYS   4 -11.944  -5.345   4.123
   34    HZ1  LYS   4           HZ1      LYS   4 -14.175  -5.347   3.187
   35    HZ2  LYS   4           HZ2      LYS   4 -13.563  -5.363   1.624
   36    HZ3  LYS   4           HZ3      LYS   4 -13.302  -4.034   2.620
   37    H    LEU   5           HN       LEU   5  -9.690  -1.683  -1.214
   38    HA   LEU   5           HA       LEU   5  -7.379  -2.263  -2.552
   39    HB2  LEU   5           HB2      LEU   5  -9.703  -1.775  -3.416
   40    HB3  LEU   5           HB1      LEU   5  -9.348  -0.079  -3.236
   41    HG   LEU   5           HG       LEU   5  -7.842  -1.930  -5.085
   42   HD11  LEU   5          HD11      LEU   5 -10.136  -0.061  -5.665
   43   HD12  LEU   5          HD12      LEU   5 -10.212  -1.821  -5.677
   44   HD13  LEU   5          HD13      LEU   5  -9.224  -0.974  -6.867
   45   HD21  LEU   5          HD21      LEU   5  -8.054   1.089  -5.040
   46   HD22  LEU   5          HD22      LEU   5  -7.108   0.122  -6.179
   47   HD23  LEU   5          HD23      LEU   5  -6.668   0.162  -4.474
   48    H    LEU   6           HN       LEU   6  -8.323   0.825  -1.031
   49    HA   LEU   6           HA       LEU   6  -6.128   2.241  -2.125
   50    HB2  LEU   6           HB2      LEU   6  -7.996   3.046   0.114
   51    HB3  LEU   6           HB1      LEU   6  -6.686   4.065  -0.436
   52    HG   LEU   6           HG       LEU   6  -8.678   4.882  -1.382
   53   HD11  LEU   6          HD11      LEU   6  -8.315   4.722  -3.769
   54   HD12  LEU   6          HD12      LEU   6  -7.250   3.344  -3.524
   55   HD13  LEU   6          HD13      LEU   6  -6.801   4.927  -2.886
   56   HD21  LEU   6          HD21      LEU   6  -9.260   2.102  -2.399
   57   HD22  LEU   6          HD22      LEU   6 -10.209   3.547  -2.752
   58   HD23  LEU   6          HD23      LEU   6 -10.114   2.938  -1.101
   59    HA   PRO   7           HA       PRO   7  -3.955   1.759   2.261
   60    HB2  PRO   7           HB2      PRO   7  -5.233  -0.845   2.960
   61    HB3  PRO   7           HB1      PRO   7  -4.656   0.440   4.031
   62    HG2  PRO   7           HG2      PRO   7  -7.247   0.138   3.609
   63    HG3  PRO   7           HG1      PRO   7  -6.531   1.758   3.668
   64    HD2  PRO   7           HD2      PRO   7  -7.419   0.167   1.306
   65    HD3  PRO   7           HD1      PRO   7  -7.542   1.910   1.621
   66    H    ARG   8           HN       ARG   8  -5.045  -1.017   0.357
   67    HA   ARG   8           HA       ARG   8  -2.650  -2.493   0.424
   68    HB2  ARG   8           HB2      ARG   8  -4.879  -2.407  -1.597
   69    HB3  ARG   8           HB1      ARG   8  -3.519  -3.506  -1.739
   70    HG2  ARG   8           HG2      ARG   8  -4.126  -4.605   0.323
   71    HG3  ARG   8           HG1      ARG   8  -5.381  -3.406   0.622
   72    HD2  ARG   8           HD2      ARG   8  -6.232  -5.557  -0.282
   73    HD3  ARG   8           HD1      ARG   8  -6.650  -4.154  -1.265
   74    HE   ARG   8           HE       ARG   8  -4.255  -5.576  -2.022
   75   HH11  ARG   8          HH11      ARG   8  -7.760  -5.370  -2.524
   76   HH12  ARG   8          HH12      ARG   8  -7.700  -5.884  -4.135
   77   HH21  ARG   8          HH21      ARG   8  -4.189  -6.333  -4.218
   78   HH22  ARG   8          HH22      ARG   8  -5.622  -6.447  -5.141
   79    H    ILE   9           HN       ILE   9  -3.801  -0.051  -1.879
   80    HA   ILE   9           HA       ILE   9  -1.553  -0.073  -3.588
   81    HB   ILE   9           HB       ILE   9  -3.424   2.222  -2.907
   82   HG12  ILE   9          HG12      ILE   9  -4.570   0.342  -3.943
   83   HG13  ILE   9          HG11      ILE   9  -4.519   1.711  -5.048
   84   HG21  ILE   9          HG21      ILE   9  -1.353   3.132  -3.794
   85   HG22  ILE   9          HG22      ILE   9  -2.661   3.327  -4.960
   86   HG23  ILE   9          HG23      ILE   9  -1.458   2.060  -5.192
   87   HD11  ILE   9          HD11      ILE   9  -2.671   0.643  -6.244
   88   HD12  ILE   9          HD12      ILE   9  -4.121  -0.357  -6.222
   89   HD13  ILE   9          HD13      ILE   9  -2.771  -0.745  -5.158
   90    H    LYS  10           HN       LYS  10  -2.303   1.761  -0.698
   91    HA   LYS  10           HA       LYS  10   0.022   3.328  -0.657
   92    HB2  LYS  10           HB2      LYS  10  -1.717   2.450   1.647
   93    HB3  LYS  10           HB1      LYS  10  -0.491   3.705   1.744
   94    HG2  LYS  10           HG2      LYS  10  -1.697   4.987   0.027
   95    HG3  LYS  10           HG1      LYS  10  -2.945   3.745   0.009
   96    HD2  LYS  10           HD2      LYS  10  -3.393   4.192   2.387
   97    HD3  LYS  10           HD1      LYS  10  -2.166   5.464   2.358
   98    HE2  LYS  10           HE2      LYS  10  -3.426   6.609   0.594
   99    HE3  LYS  10           HE1      LYS  10  -4.676   5.372   0.693
  100    HZ1  LYS  10           HZ1      LYS  10  -3.897   7.277   2.829
  101    HZ2  LYS  10           HZ2      LYS  10  -5.001   6.022   3.026
  102    HZ3  LYS  10           HZ3      LYS  10  -5.339   7.271   1.943
  103    H    LYS  11           HN       LYS  11  -0.629   0.147   0.728
  104    HA   LYS  11           HA       LYS  11   1.896  -0.044   1.943
  105    HB2  LYS  11           HB2      LYS  11  -0.057  -2.195   1.181
  106    HB3  LYS  11           HB1      LYS  11   1.479  -2.534   1.968
  107    HG2  LYS  11           HG2      LYS  11   0.764  -0.962   3.794
  108    HG3  LYS  11           HG1      LYS  11  -0.829  -0.945   3.042
  109    HD2  LYS  11           HD2      LYS  11  -0.731  -2.557   4.886
  110    HD3  LYS  11           HD1      LYS  11  -1.001  -3.367   3.344
  111    HE2  LYS  11           HE2      LYS  11   1.263  -4.109   3.235
  112    HE3  LYS  11           HE1      LYS  11   1.741  -3.061   4.570
  113    HZ1  LYS  11           HZ1      LYS  11  -0.135  -5.338   4.786
  114    HZ2  LYS  11           HZ2      LYS  11   0.471  -4.403   6.057
  115    HZ3  LYS  11           HZ3      LYS  11   1.499  -5.415   5.183
  116    H    LYS  12           HN       LYS  12   0.927  -0.504  -1.315
  117    HA   LYS  12           HA       LYS  12   3.334  -1.906  -2.019
  118    HB2  LYS  12           HB2      LYS  12   1.364  -0.445  -3.769
  119    HB3  LYS  12           HB1      LYS  12   2.665  -1.471  -4.360
  120    HG2  LYS  12           HG2      LYS  12   0.286  -2.318  -2.726
  121    HG3  LYS  12           HG1      LYS  12   0.587  -2.684  -4.422
  122    HD2  LYS  12           HD2      LYS  12   2.622  -3.938  -3.745
  123    HD3  LYS  12           HD1      LYS  12   2.218  -3.618  -2.058
  124    HE2  LYS  12           HE2      LYS  12   1.489  -5.826  -2.679
  125    HE3  LYS  12           HE1      LYS  12   0.099  -4.795  -2.352
  126    HZ1  LYS  12           HZ1      LYS  12  -0.202  -6.142  -4.367
  127    HZ2  LYS  12           HZ2      LYS  12   1.140  -5.420  -5.062
  128    HZ3  LYS  12           HZ3      LYS  12  -0.215  -4.499  -4.722
  129    H    ILE  13           HN       ILE  13   2.289   1.384  -1.842
  130    HA   ILE  13           HA       ILE  13   4.604   2.537  -3.046
  131    HB   ILE  13           HB       ILE  13   2.728   3.718  -0.960
  132   HG12  ILE  13          HG12      ILE  13   1.467   3.065  -2.937
  133   HG13  ILE  13          HG11      ILE  13   1.576   4.816  -2.855
  134   HG21  ILE  13          HG21      ILE  13   4.637   5.124  -2.827
  135   HG22  ILE  13          HG22      ILE  13   4.808   4.966  -1.078
  136   HG23  ILE  13          HG23      ILE  13   3.483   5.916  -1.752
  137   HD11  ILE  13          HD11      ILE  13   3.200   3.009  -4.645
  138   HD12  ILE  13          HD12      ILE  13   3.348   4.763  -4.559
  139   HD13  ILE  13          HD13      ILE  13   1.850   4.034  -5.132
  140    H    LEU  14           HN       LEU  14   3.600   1.697   0.192
  141    HA   LEU  14           HA       LEU  14   5.878   2.469   1.627
  142    HB2  LEU  14           HB2      LEU  14   3.709   1.838   2.628
  143    HB3  LEU  14           HB1      LEU  14   3.978   0.185   2.127
  144    HG   LEU  14           HG       LEU  14   5.917   0.059   3.647
  145   HD11  LEU  14          HD11      LEU  14   5.012   2.792   4.533
  146   HD12  LEU  14          HD12      LEU  14   6.535   2.400   3.729
  147   HD13  LEU  14          HD13      LEU  14   6.207   1.787   5.348
  148   HD21  LEU  14          HD21      LEU  14   3.321   0.895   4.923
  149   HD22  LEU  14          HD22      LEU  14   4.610  -0.018   5.709
  150   HD23  LEU  14          HD23      LEU  14   3.727  -0.725   4.357
  151    H    ALA  15           HN       ALA  15   5.099  -0.460  -0.140
  152    HA   ALA  15           HA       ALA  15   7.364  -1.978   0.605
  153    HB1  ALA  15           HB1      ALA  15   5.356  -3.003  -0.352
  154    HB2  ALA  15           HB2      ALA  15   6.790  -3.415  -1.298
  155    HB3  ALA  15           HB3      ALA  15   5.670  -2.187  -1.882
  156    H    ALA  16           HN       ALA  16   6.894   0.548  -1.663
  157    HA   ALA  16           HA       ALA  16   9.355   0.017  -3.082
  158    HB1  ALA  16           HB1      ALA  16   7.422   0.953  -4.273
  159    HB2  ALA  16           HB2      ALA  16   8.804   2.048  -4.324
  160    HB3  ALA  16           HB3      ALA  16   7.465   2.369  -3.222
  161    H    ALA  17           HN       ALA  17   8.170   1.858  -0.446
  162    HA   ALA  17           HA       ALA  17  10.371   3.682  -0.273
  163    HB1  ALA  17           HB1      ALA  17   8.248   2.978   1.755
  164    HB2  ALA  17           HB2      ALA  17   8.149   4.280   0.570
  165    HB3  ALA  17           HB3      ALA  17   9.356   4.342   1.855
  166    H    PHE  18           HN       PHE  18   9.332   0.783   1.498
  167    HA   PHE  18           HA       PHE  18  11.747   0.672   3.047
  168    HB2  PHE  18           HB2      PHE  18   9.572  -0.170   3.913
  169    HB3  PHE  18           HB1      PHE  18   9.558  -1.391   2.650
  170    HD1  PHE  18           HD1      PHE  18  10.522  -3.485   3.052
  171    HD2  PHE  18           HD2      PHE  18  11.542  -0.207   5.558
  172    HE1  PHE  18           HE1      PHE  18  11.744  -5.004   4.543
  173    HE2  PHE  18           HE2      PHE  18  12.766  -1.727   7.051
  174    HZ   PHE  18           HZ       PHE  18  12.868  -4.130   6.545
  175    H    LYS  19           HN       LYS  19  13.580  -0.078   2.280
  176    HA   LYS  19           HA       LYS  19  13.499  -1.886  -0.008
  177    HB2  LYS  19           HB2      LYS  19  15.325   0.493   0.376
  178    HB3  LYS  19           HB1      LYS  19  15.366  -0.629  -0.979
  179    HG2  LYS  19           HG2      LYS  19  13.148   0.089  -1.684
  180    HG3  LYS  19           HG1      LYS  19  13.028   1.152  -0.291
  181    HD2  LYS  19           HD2      LYS  19  15.031   1.418  -2.543
  182    HD3  LYS  19           HD1      LYS  19  13.561   2.351  -2.356
  183    HE2  LYS  19           HE2      LYS  19  15.810   2.341  -0.338
  184    HE3  LYS  19           HE1      LYS  19  15.591   3.542  -1.602
  185    HZ1  LYS  19           HZ1      LYS  19  13.586   2.995   0.541
  186    HZ2  LYS  19           HZ2      LYS  19  13.523   4.199  -0.647
  187    HZ3  LYS  19           HZ3      LYS  19  14.702   4.255   0.530
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1 -12.972   6.392   0.879
    2    H3   PRO   1           HT2      PRO   1 -11.899   6.443   2.089
    3    HA   PRO   1           HA       PRO   1 -13.645   6.207   3.752
    4    HB2  PRO   1           HB2      PRO   1 -15.209   4.538   2.060
    5    HB3  PRO   1           HB1      PRO   1 -15.751   5.972   2.933
    6    HG2  PRO   1           HG2      PRO   1 -14.908   5.696   0.113
    7    HG3  PRO   1           HG1      PRO   1 -15.997   6.878   0.857
    8    HD2  PRO   1           HD2      PRO   1 -13.571   7.606   0.028
    9    HD3  PRO   1           HD1      PRO   1 -14.301   8.257   1.495
   10    H    MET   2           HN       MET   2 -14.423   3.551   3.724
   11    HA   MET   2           HA       MET   2 -11.852   2.294   3.657
   12    HB2  MET   2           HB2      MET   2 -14.547   1.175   4.434
   13    HB3  MET   2           HB1      MET   2 -13.026   0.317   4.569
   14    HG2  MET   2           HG2      MET   2 -12.225   1.955   6.176
   15    HG3  MET   2           HG1      MET   2 -13.731   2.856   6.021
   16    HE1  MET   2           HE1      MET   2 -12.066  -0.509   7.194
   17    HE2  MET   2           HE2      MET   2 -13.321  -1.107   6.104
   18    HE3  MET   2           HE3      MET   2 -13.446  -1.395   7.836
   19    H    ALA   3           HN       ALA   3 -11.405   2.275   1.500
   20    HA   ALA   3           HA       ALA   3 -12.791   0.169  -0.023
   21    HB1  ALA   3           HB1      ALA   3 -12.887   2.346  -1.169
   22    HB2  ALA   3           HB2      ALA   3 -11.833   1.237  -2.047
   23    HB3  ALA   3           HB3      ALA   3 -11.135   2.500  -1.033
   24    H    LYS   4           HN       LYS   4 -11.645  -1.630  -0.170
   25    HA   LYS   4           HA       LYS   4  -9.234  -1.981   1.139
   26    HB2  LYS   4           HB2      LYS   4  -9.108  -4.226   0.275
   27    HB3  LYS   4           HB1      LYS   4 -10.765  -3.850   0.688
   28    HG2  LYS   4           HG2      LYS   4  -9.687  -3.764  -2.128
   29    HG3  LYS   4           HG1      LYS   4 -10.425  -5.191  -1.413
   30    HD2  LYS   4           HD2      LYS   4 -12.510  -3.917  -1.093
   31    HD3  LYS   4           HD1      LYS   4 -11.744  -2.511  -1.839
   32    HE2  LYS   4           HE2      LYS   4 -11.453  -3.742  -3.909
   33    HE3  LYS   4           HE1      LYS   4 -12.140  -5.185  -3.167
   34    HZ1  LYS   4           HZ1      LYS   4 -13.724  -3.962  -4.550
   35    HZ2  LYS   4           HZ2      LYS   4 -13.618  -2.630  -3.500
   36    HZ3  LYS   4           HZ3      LYS   4 -14.229  -4.088  -2.950
   37    H    LEU   5           HN       LEU   5  -9.642  -0.854  -2.050
   38    HA   LEU   5           HA       LEU   5  -7.127  -1.660  -3.068
   39    HB2  LEU   5           HB2      LEU   5  -8.868   0.657  -3.894
   40    HB3  LEU   5           HB1      LEU   5  -7.486   0.069  -4.792
   41    HG   LEU   5           HG       LEU   5 -10.048  -1.449  -4.286
   42   HD11  LEU   5          HD11      LEU   5 -10.325   0.350  -5.884
   43   HD12  LEU   5          HD12      LEU   5 -10.379  -1.213  -6.698
   44   HD13  LEU   5          HD13      LEU   5  -8.927  -0.218  -6.795
   45   HD21  LEU   5          HD21      LEU   5  -7.597  -2.230  -5.875
   46   HD22  LEU   5          HD22      LEU   5  -9.122  -3.112  -5.843
   47   HD23  LEU   5          HD23      LEU   5  -8.153  -2.984  -4.377
   48    H    LEU   6           HN       LEU   6  -8.164   1.074  -1.133
   49    HA   LEU   6           HA       LEU   6  -5.906   2.664  -1.681
   50    HB2  LEU   6           HB2      LEU   6  -7.812   2.834   0.643
   51    HB3  LEU   6           HB1      LEU   6  -6.586   4.029   0.274
   52    HG   LEU   6           HG       LEU   6  -8.963   3.323  -1.442
   53   HD11  LEU   6          HD11      LEU   6  -8.298   5.784   0.149
   54   HD12  LEU   6          HD12      LEU   6  -9.554   4.601   0.521
   55   HD13  LEU   6          HD13      LEU   6  -9.681   5.599  -0.928
   56   HD21  LEU   6          HD21      LEU   6  -6.780   5.365  -1.889
   57   HD22  LEU   6          HD22      LEU   6  -8.247   5.206  -2.852
   58   HD23  LEU   6          HD23      LEU   6  -7.058   3.910  -2.850
   59    HA   PRO   7           HA       PRO   7  -3.964   1.078   2.514
   60    HB2  PRO   7           HB2      PRO   7  -4.756  -1.521   3.113
   61    HB3  PRO   7           HB1      PRO   7  -5.315  -0.073   3.955
   62    HG2  PRO   7           HG2      PRO   7  -6.624  -1.608   1.758
   63    HG3  PRO   7           HG1      PRO   7  -7.349  -0.879   3.203
   64    HD2  PRO   7           HD2      PRO   7  -7.570   0.303   0.830
   65    HD3  PRO   7           HD1      PRO   7  -7.284   1.265   2.296
   66    H    ARG   8           HN       ARG   8  -4.996  -1.131  -0.034
   67    HA   ARG   8           HA       ARG   8  -2.606  -2.653  -0.033
   68    HB2  ARG   8           HB2      ARG   8  -4.689  -2.309  -2.178
   69    HB3  ARG   8           HB1      ARG   8  -3.328  -3.408  -2.317
   70    HG2  ARG   8           HG2      ARG   8  -4.147  -4.548  -0.243
   71    HG3  ARG   8           HG1      ARG   8  -5.589  -3.531  -0.338
   72    HD2  ARG   8           HD2      ARG   8  -5.985  -5.700  -1.374
   73    HD3  ARG   8           HD1      ARG   8  -6.055  -4.406  -2.573
   74    HE   ARG   8           HE       ARG   8  -3.464  -5.552  -2.301
   75   HH11  ARG   8          HH11      ARG   8  -6.594  -6.033  -3.883
   76   HH12  ARG   8          HH12      ARG   8  -5.973  -6.885  -5.207
   77   HH21  ARG   8          HH21      ARG   8  -2.597  -6.727  -4.111
   78   HH22  ARG   8          HH22      ARG   8  -3.618  -7.293  -5.342
   79    H    ILE   9           HN       ILE   9  -3.714   0.013  -2.106
   80    HA   ILE   9           HA       ILE   9  -1.367   0.242  -3.616
   81    HB   ILE   9           HB       ILE   9  -3.420   2.345  -2.841
   82   HG12  ILE   9          HG12      ILE   9  -2.980   0.851  -5.440
   83   HG13  ILE   9          HG11      ILE   9  -4.225   0.485  -4.254
   84   HG21  ILE   9          HG21      ILE   9  -1.335   3.494  -3.352
   85   HG22  ILE   9          HG22      ILE   9  -2.511   3.761  -4.639
   86   HG23  ILE   9          HG23      ILE   9  -1.199   2.607  -4.869
   87   HD11  ILE   9          HD11      ILE   9  -5.129   1.721  -6.141
   88   HD12  ILE   9          HD12      ILE   9  -3.988   3.035  -5.842
   89   HD13  ILE   9          HD13      ILE   9  -5.245   2.671  -4.660
   90    H    LYS  10           HN       LYS  10  -2.304   1.663  -0.547
   91    HA   LYS  10           HA       LYS  10  -0.082   3.324  -0.135
   92    HB2  LYS  10           HB2      LYS  10  -2.180   3.394   1.184
   93    HB3  LYS  10           HB1      LYS  10  -1.741   1.863   1.920
   94    HG2  LYS  10           HG2      LYS  10   0.264   2.930   2.874
   95    HG3  LYS  10           HG1      LYS  10  -0.270   4.470   2.192
   96    HD2  LYS  10           HD2      LYS  10  -2.366   4.270   3.483
   97    HD3  LYS  10           HD1      LYS  10  -1.746   2.791   4.210
   98    HE2  LYS  10           HE2      LYS  10  -1.407   4.670   5.705
   99    HE3  LYS  10           HE1      LYS  10   0.142   4.045   5.141
  100    HZ1  LYS  10           HZ1      LYS  10   0.262   5.874   3.571
  101    HZ2  LYS  10           HZ2      LYS  10   0.048   6.464   5.126
  102    HZ3  LYS  10           HZ3      LYS  10  -1.246   6.424   4.055
  103    H    LYS  11           HN       LYS  11  -0.683  -0.046   0.780
  104    HA   LYS  11           HA       LYS  11   1.712  -0.516   2.155
  105    HB2  LYS  11           HB2      LYS  11  -0.256  -1.953   2.347
  106    HB3  LYS  11           HB1      LYS  11  -0.090  -2.427   0.665
  107    HG2  LYS  11           HG2      LYS  11   2.074  -3.470   1.204
  108    HG3  LYS  11           HG1      LYS  11   1.830  -3.028   2.890
  109    HD2  LYS  11           HD2      LYS  11  -0.130  -4.401   3.036
  110    HD3  LYS  11           HD1      LYS  11  -0.064  -4.747   1.306
  111    HE2  LYS  11           HE2      LYS  11   0.807  -6.618   2.612
  112    HE3  LYS  11           HE1      LYS  11   2.053  -5.895   1.603
  113    HZ1  LYS  11           HZ1      LYS  11   2.856  -6.390   3.833
  114    HZ2  LYS  11           HZ2      LYS  11   1.709  -5.373   4.511
  115    HZ3  LYS  11           HZ3      LYS  11   2.918  -4.741   3.540
  116    H    LYS  12           HN       LYS  12   0.843  -0.876  -1.231
  117    HA   LYS  12           HA       LYS  12   3.238  -2.065  -2.139
  118    HB2  LYS  12           HB2      LYS  12   1.263  -0.295  -3.569
  119    HB3  LYS  12           HB1      LYS  12   2.579  -1.141  -4.366
  120    HG2  LYS  12           HG2      LYS  12   1.636  -3.267  -3.758
  121    HG3  LYS  12           HG1      LYS  12   0.367  -2.467  -2.823
  122    HD2  LYS  12           HD2      LYS  12  -0.496  -1.433  -4.826
  123    HD3  LYS  12           HD1      LYS  12   0.819  -2.123  -5.774
  124    HE2  LYS  12           HE2      LYS  12   0.005  -4.369  -5.257
  125    HE3  LYS  12           HE1      LYS  12  -1.308  -3.674  -4.305
  126    HZ1  LYS  12           HZ1      LYS  12  -0.869  -3.123  -7.168
  127    HZ2  LYS  12           HZ2      LYS  12  -2.225  -2.690  -6.274
  128    HZ3  LYS  12           HZ3      LYS  12  -1.905  -4.319  -6.618
  129    H    ILE  13           HN       ILE  13   2.224   1.279  -1.858
  130    HA   ILE  13           HA       ILE  13   4.580   2.449  -2.885
  131    HB   ILE  13           HB       ILE  13   2.568   3.547  -0.901
  132   HG12  ILE  13          HG12      ILE  13   2.839   4.030  -3.872
  133   HG13  ILE  13          HG11      ILE  13   1.692   2.913  -3.144
  134   HG21  ILE  13          HG21      ILE  13   4.687   5.017  -2.478
  135   HG22  ILE  13          HG22      ILE  13   4.673   4.776  -0.731
  136   HG23  ILE  13          HG23      ILE  13   3.436   5.774  -1.491
  137   HD11  ILE  13          HD11      ILE  13   0.623   4.983  -3.730
  138   HD12  ILE  13          HD12      ILE  13   1.783   5.887  -2.756
  139   HD13  ILE  13          HD13      ILE  13   0.640   4.791  -1.977
  140    H    LEU  14           HN       LEU  14   3.520   1.723   0.393
  141    HA   LEU  14           HA       LEU  14   5.688   2.728   1.796
  142    HB2  LEU  14           HB2      LEU  14   3.528   2.078   2.779
  143    HB3  LEU  14           HB1      LEU  14   3.911   0.397   2.489
  144    HG   LEU  14           HG       LEU  14   5.808   0.589   4.065
  145   HD11  LEU  14          HD11      LEU  14   4.687   3.338   4.589
  146   HD12  LEU  14          HD12      LEU  14   6.254   2.966   3.868
  147   HD13  LEU  14          HD13      LEU  14   5.931   2.532   5.545
  148   HD21  LEU  14          HD21      LEU  14   3.119   1.381   5.177
  149   HD22  LEU  14          HD22      LEU  14   4.442   0.662   6.095
  150   HD23  LEU  14          HD23      LEU  14   3.654  -0.260   4.815
  151    H    ALA  15           HN       ALA  15   5.145  -0.576   0.588
  152    HA   ALA  15           HA       ALA  15   7.593  -1.575   1.628
  153    HB1  ALA  15           HB1      ALA  15   5.871  -2.728  -0.561
  154    HB2  ALA  15           HB2      ALA  15   5.657  -3.010   1.166
  155    HB3  ALA  15           HB3      ALA  15   7.115  -3.582   0.353
  156    H    ALA  16           HN       ALA  16   6.836   0.147  -1.226
  157    HA   ALA  16           HA       ALA  16   9.255  -0.713  -2.582
  158    HB1  ALA  16           HB1      ALA  16   7.197   1.309  -3.433
  159    HB2  ALA  16           HB2      ALA  16   7.219  -0.395  -3.889
  160    HB3  ALA  16           HB3      ALA  16   8.511   0.681  -4.424
  161    H    ALA  17           HN       ALA  17   7.908   2.333  -1.357
  162    HA   ALA  17           HA       ALA  17  10.328   3.759  -1.950
  163    HB1  ALA  17           HB1      ALA  17   9.176   5.702  -1.082
  164    HB2  ALA  17           HB2      ALA  17   7.881   4.679  -0.462
  165    HB3  ALA  17           HB3      ALA  17   8.138   4.818  -2.200
  166    H    PHE  18           HN       PHE  18   8.748   2.550   0.989
  167    HA   PHE  18           HA       PHE  18  10.905   3.683   2.571
  168    HB2  PHE  18           HB2      PHE  18   8.435   3.758   3.307
  169    HB3  PHE  18           HB1      PHE  18   8.562   2.028   3.547
  170    HD1  PHE  18           HD1      PHE  18  10.099   1.145   5.310
  171    HD2  PHE  18           HD2      PHE  18   9.296   5.290   4.866
  172    HE1  PHE  18           HE1      PHE  18  10.945   1.551   7.579
  173    HE2  PHE  18           HE2      PHE  18  10.147   5.702   7.132
  174    HZ   PHE  18           HZ       PHE  18  10.975   3.837   8.488
  175    H    LYS  19           HN       LYS  19  12.646   2.541   2.707
  176    HA   LYS  19           HA       LYS  19  12.484  -0.347   2.323
  177    HB2  LYS  19           HB2      LYS  19  14.850   1.495   1.914
  178    HB3  LYS  19           HB1      LYS  19  14.768  -0.214   1.504
  179    HG2  LYS  19           HG2      LYS  19  13.067   0.232  -0.173
  180    HG3  LYS  19           HG1      LYS  19  13.060   1.938   0.265
  181    HD2  LYS  19           HD2      LYS  19  15.463   2.041  -0.392
  182    HD3  LYS  19           HD1      LYS  19  15.323   0.378  -0.967
  183    HE2  LYS  19           HE2      LYS  19  13.699   2.721  -1.961
  184    HE3  LYS  19           HE1      LYS  19  15.072   2.016  -2.804
  185    HZ1  LYS  19           HZ1      LYS  19  13.054   1.195  -3.729
  186    HZ2  LYS  19           HZ2      LYS  19  12.441   0.756  -2.248
  187    HZ3  LYS  19           HZ3      LYS  19  13.758  -0.087  -2.898
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1 -11.891  -1.484   6.239
    2    H3   PRO   1           HT2      PRO   1 -11.635   0.142   6.466
    3    HA   PRO   1           HA       PRO   1 -10.436   0.421   4.530
    4    HB2  PRO   1           HB2      PRO   1 -10.989  -2.240   3.449
    5    HB3  PRO   1           HB1      PRO   1  -9.504  -1.283   3.377
    6    HG2  PRO   1           HG2      PRO   1  -9.715  -3.439   4.973
    7    HG3  PRO   1           HG1      PRO   1  -8.765  -2.021   5.440
    8    HD2  PRO   1           HD2      PRO   1 -11.449  -2.909   6.311
    9    HD3  PRO   1           HD1      PRO   1 -10.199  -2.195   7.298
   10    H    MET   2           HN       MET   2 -12.214   1.720   4.176
   11    HA   MET   2           HA       MET   2 -14.687   0.532   3.300
   12    HB2  MET   2           HB2      MET   2 -13.793   3.422   3.376
   13    HB3  MET   2           HB1      MET   2 -15.426   2.877   3.005
   14    HG2  MET   2           HG2      MET   2 -13.958   2.444   5.581
   15    HG3  MET   2           HG1      MET   2 -15.241   3.622   5.315
   16    HE1  MET   2           HE1      MET   2 -16.939   0.905   7.629
   17    HE2  MET   2           HE2      MET   2 -16.518   2.611   7.461
   18    HE3  MET   2           HE3      MET   2 -15.252   1.406   7.689
   19    H    ALA   3           HN       ALA   3 -12.115   2.511   1.952
   20    HA   ALA   3           HA       ALA   3 -12.842   1.513  -0.683
   21    HB1  ALA   3           HB1      ALA   3 -11.210   3.202  -1.510
   22    HB2  ALA   3           HB2      ALA   3 -10.899   3.688   0.157
   23    HB3  ALA   3           HB3      ALA   3 -12.489   3.951  -0.555
   24    H    LYS   4           HN       LYS   4 -12.185  -0.494  -0.391
   25    HA   LYS   4           HA       LYS   4 -10.013  -1.285   1.149
   26    HB2  LYS   4           HB2      LYS   4 -10.370  -3.559   0.422
   27    HB3  LYS   4           HB1      LYS   4 -11.885  -2.776   0.799
   28    HG2  LYS   4           HG2      LYS   4 -10.836  -3.216  -1.994
   29    HG3  LYS   4           HG1      LYS   4 -11.946  -4.294  -1.176
   30    HD2  LYS   4           HD2      LYS   4 -13.582  -2.435  -1.025
   31    HD3  LYS   4           HD1      LYS   4 -12.463  -1.421  -1.941
   32    HE2  LYS   4           HE2      LYS   4 -12.538  -3.004  -3.798
   33    HE3  LYS   4           HE1      LYS   4 -13.648  -4.022  -2.886
   34    HZ1  LYS   4           HZ1      LYS   4 -15.248  -2.219  -2.917
   35    HZ2  LYS   4           HZ2      LYS   4 -14.814  -2.667  -4.474
   36    HZ3  LYS   4           HZ3      LYS   4 -14.191  -1.252  -3.797
   37    H    LEU   5           HN       LEU   5  -9.935  -0.322  -2.161
   38    HA   LEU   5           HA       LEU   5  -7.461  -1.698  -2.604
   39    HB2  LEU   5           HB2      LEU   5  -8.908   0.364  -4.244
   40    HB3  LEU   5           HB1      LEU   5  -7.273  -0.106  -4.634
   41    HG   LEU   5           HG       LEU   5  -8.749  -1.273  -6.078
   42   HD11  LEU   5          HD11      LEU   5  -8.226  -3.592  -5.646
   43   HD12  LEU   5          HD12      LEU   5  -7.777  -3.197  -3.995
   44   HD13  LEU   5          HD13      LEU   5  -6.842  -2.544  -5.341
   45   HD21  LEU   5          HD21      LEU   5 -10.490  -2.819  -5.274
   46   HD22  LEU   5          HD22      LEU   5 -10.815  -1.142  -4.841
   47   HD23  LEU   5          HD23      LEU   5 -10.188  -2.258  -3.628
   48    H    LEU   6           HN       LEU   6  -8.315   1.273  -1.128
   49    HA   LEU   6           HA       LEU   6  -5.946   2.672  -1.701
   50    HB2  LEU   6           HB2      LEU   6  -7.849   3.072   0.599
   51    HB3  LEU   6           HB1      LEU   6  -6.491   4.122   0.267
   52    HG   LEU   6           HG       LEU   6  -8.923   3.709  -1.469
   53   HD11  LEU   6          HD11      LEU   6  -7.924   6.109   0.049
   54   HD12  LEU   6          HD12      LEU   6  -9.283   5.086   0.507
   55   HD13  LEU   6          HD13      LEU   6  -9.363   6.045  -0.969
   56   HD21  LEU   6          HD21      LEU   6  -7.963   5.477  -2.898
   57   HD22  LEU   6          HD22      LEU   6  -6.986   4.016  -2.900
   58   HD23  LEU   6          HD23      LEU   6  -6.474   5.416  -1.953
   59    HA   PRO   7           HA       PRO   7  -4.089   1.168   2.523
   60    HB2  PRO   7           HB2      PRO   7  -5.003  -1.359   3.252
   61    HB3  PRO   7           HB1      PRO   7  -5.477   0.148   4.035
   62    HG2  PRO   7           HG2      PRO   7  -6.914  -1.443   1.964
   63    HG3  PRO   7           HG1      PRO   7  -7.558  -0.551   3.355
   64    HD2  PRO   7           HD2      PRO   7  -7.728   0.422   0.862
   65    HD3  PRO   7           HD1      PRO   7  -7.457   1.483   2.260
   66    H    ARG   8           HN       ARG   8  -5.297  -1.145   0.185
   67    HA   ARG   8           HA       ARG   8  -3.110  -2.904   0.179
   68    HB2  ARG   8           HB2      ARG   8  -5.152  -2.307  -1.956
   69    HB3  ARG   8           HB1      ARG   8  -3.958  -3.585  -2.099
   70    HG2  ARG   8           HG2      ARG   8  -4.863  -4.695  -0.148
   71    HG3  ARG   8           HG1      ARG   8  -6.014  -3.381   0.092
   72    HD2  ARG   8           HD2      ARG   8  -7.051  -5.318  -0.984
   73    HD3  ARG   8           HD1      ARG   8  -7.079  -3.901  -2.029
   74    HE   ARG   8           HE       ARG   8  -4.805  -5.273  -2.714
   75   HH11  ARG   8          HH11      ARG   8  -8.251  -6.092  -2.638
   76   HH12  ARG   8          HH12      ARG   8  -8.154  -7.170  -3.947
   77   HH21  ARG   8          HH21      ARG   8  -4.691  -6.685  -4.494
   78   HH22  ARG   8          HH22      ARG   8  -6.090  -7.514  -5.056
   79    H    ILE   9           HN       ILE   9  -3.833  -0.193  -2.029
   80    HA   ILE   9           HA       ILE   9  -1.317  -0.490  -3.343
   81    HB   ILE   9           HB       ILE   9  -1.815   1.661  -4.462
   82   HG12  ILE   9          HG12      ILE   9  -4.331   1.629  -2.777
   83   HG13  ILE   9          HG11      ILE   9  -3.001   2.760  -2.594
   84   HG21  ILE   9          HG21      ILE   9  -4.095  -0.312  -4.443
   85   HG22  ILE   9          HG22      ILE   9  -2.628  -0.414  -5.414
   86   HG23  ILE   9          HG23      ILE   9  -3.789   0.882  -5.705
   87   HD11  ILE   9          HD11      ILE   9  -4.806   2.514  -4.988
   88   HD12  ILE   9          HD12      ILE   9  -3.477   3.661  -4.810
   89   HD13  ILE   9          HD13      ILE   9  -4.879   3.768  -3.749
   90    H    LYS  10           HN       LYS  10  -2.408   1.251  -0.573
   91    HA   LYS  10           HA       LYS  10  -0.311   3.105  -0.375
   92    HB2  LYS  10           HB2      LYS  10  -2.385   3.241   0.966
   93    HB3  LYS  10           HB1      LYS  10  -1.882   1.814   1.861
   94    HG2  LYS  10           HG2      LYS  10   0.136   3.051   2.583
   95    HG3  LYS  10           HG1      LYS  10  -0.525   4.490   1.810
   96    HD2  LYS  10           HD2      LYS  10  -2.450   4.419   3.276
   97    HD3  LYS  10           HD1      LYS  10  -1.865   2.922   4.003
   98    HE2  LYS  10           HE2      LYS  10  -0.496   5.604   4.091
   99    HE3  LYS  10           HE1      LYS  10  -1.326   4.818   5.427
  100    HZ1  LYS  10           HZ1      LYS  10   1.173   3.910   4.092
  101    HZ2  LYS  10           HZ2      LYS  10   0.320   2.978   5.197
  102    HZ3  LYS  10           HZ3      LYS  10   0.984   4.460   5.680
  103    H    LYS  11           HN       LYS  11  -0.679  -0.221   0.683
  104    HA   LYS  11           HA       LYS  11   1.751  -0.465   2.105
  105    HB2  LYS  11           HB2      LYS  11   0.212  -2.591   0.603
  106    HB3  LYS  11           HB1      LYS  11   1.489  -2.894   1.770
  107    HG2  LYS  11           HG2      LYS  11   0.126  -1.896   3.531
  108    HG3  LYS  11           HG1      LYS  11  -1.135  -1.545   2.357
  109    HD2  LYS  11           HD2      LYS  11  -1.732  -3.521   3.579
  110    HD3  LYS  11           HD1      LYS  11  -1.347  -3.966   1.921
  111    HE2  LYS  11           HE2      LYS  11  -0.396  -5.559   3.501
  112    HE3  LYS  11           HE1      LYS  11   0.875  -4.717   2.626
  113    HZ1  LYS  11           HZ1      LYS  11  -0.033  -4.068   5.389
  114    HZ2  LYS  11           HZ2      LYS  11   1.231  -3.307   4.550
  115    HZ3  LYS  11           HZ3      LYS  11   1.357  -4.922   4.977
  116    H    LYS  12           HN       LYS  12   0.915  -0.734  -1.256
  117    HA   LYS  12           HA       LYS  12   3.379  -1.848  -2.103
  118    HB2  LYS  12           HB2      LYS  12   1.205  -0.437  -3.646
  119    HB3  LYS  12           HB1      LYS  12   2.614  -1.168  -4.400
  120    HG2  LYS  12           HG2      LYS  12   0.596  -2.650  -2.724
  121    HG3  LYS  12           HG1      LYS  12   0.624  -2.619  -4.489
  122    HD2  LYS  12           HD2      LYS  12   2.827  -3.642  -4.498
  123    HD3  LYS  12           HD1      LYS  12   2.879  -3.598  -2.741
  124    HE2  LYS  12           HE2      LYS  12   1.010  -5.131  -2.624
  125    HE3  LYS  12           HE1      LYS  12   0.906  -5.164  -4.386
  126    HZ1  LYS  12           HZ1      LYS  12   3.058  -6.133  -4.504
  127    HZ2  LYS  12           HZ2      LYS  12   2.180  -7.071  -3.411
  128    HZ3  LYS  12           HZ3      LYS  12   3.324  -5.962  -2.871
  129    H    ILE  13           HN       ILE  13   2.139   1.461  -2.088
  130    HA   ILE  13           HA       ILE  13   4.549   2.503  -3.182
  131    HB   ILE  13           HB       ILE  13   2.396   3.726  -3.401
  132   HG12  ILE  13          HG12      ILE  13   4.457   5.349  -1.888
  133   HG13  ILE  13          HG11      ILE  13   4.507   4.975  -3.607
  134   HG21  ILE  13          HG21      ILE  13   1.450   3.228  -1.251
  135   HG22  ILE  13          HG22      ILE  13   1.433   4.968  -1.549
  136   HG23  ILE  13          HG23      ILE  13   2.632   4.266  -0.457
  137   HD11  ILE  13          HD11      ILE  13   2.395   6.620  -2.220
  138   HD12  ILE  13          HD12      ILE  13   2.451   6.257  -3.945
  139   HD13  ILE  13          HD13      ILE  13   3.713   7.244  -3.211
  140    H    LEU  14           HN       LEU  14   3.577   1.579  -0.050
  141    HA   LEU  14           HA       LEU  14   5.565   3.009   1.438
  142    HB2  LEU  14           HB2      LEU  14   3.493   2.109   2.482
  143    HB3  LEU  14           HB1      LEU  14   4.062   0.492   2.147
  144    HG   LEU  14           HG       LEU  14   5.993   0.882   3.649
  145   HD11  LEU  14          HD11      LEU  14   6.139   3.300   3.496
  146   HD12  LEU  14          HD12      LEU  14   5.960   2.792   5.172
  147   HD13  LEU  14          HD13      LEU  14   4.579   3.460   4.302
  148   HD21  LEU  14          HD21      LEU  14   3.282   1.317   4.887
  149   HD22  LEU  14          HD22      LEU  14   4.720   0.741   5.727
  150   HD23  LEU  14          HD23      LEU  14   3.991  -0.238   4.456
  151    H    ALA  15           HN       ALA  15   5.208  -0.419   0.567
  152    HA   ALA  15           HA       ALA  15   7.716  -1.241   1.468
  153    HB1  ALA  15           HB1      ALA  15   5.978  -2.492  -0.647
  154    HB2  ALA  15           HB2      ALA  15   5.856  -2.767   1.090
  155    HB3  ALA  15           HB3      ALA  15   7.295  -3.290   0.211
  156    H    ALA  16           HN       ALA  16   6.856   0.366  -1.422
  157    HA   ALA  16           HA       ALA  16   9.046  -0.372  -3.011
  158    HB1  ALA  16           HB1      ALA  16   8.567   1.670  -4.291
  159    HB2  ALA  16           HB2      ALA  16   7.486   2.210  -3.002
  160    HB3  ALA  16           HB3      ALA  16   7.093   0.768  -3.934
  161    H    ALA  17           HN       ALA  17   8.573   2.316  -0.750
  162    HA   ALA  17           HA       ALA  17  11.369   3.102  -1.065
  163    HB1  ALA  17           HB1      ALA  17  10.792   5.030   0.314
  164    HB2  ALA  17           HB2      ALA  17   9.185   4.358   0.595
  165    HB3  ALA  17           HB3      ALA  17   9.662   4.855  -1.028
  166    H    PHE  18           HN       PHE  18   9.165   1.988   1.452
  167    HA   PHE  18           HA       PHE  18  11.199   1.971   3.470
  168    HB2  PHE  18           HB2      PHE  18   8.814   2.525   3.950
  169    HB3  PHE  18           HB1      PHE  18   8.360   0.895   3.489
  170    HD1  PHE  18           HD1      PHE  18   9.980   2.963   6.040
  171    HD2  PHE  18           HD2      PHE  18   8.713  -0.936   4.980
  172    HE1  PHE  18           HE1      PHE  18  10.260   2.246   8.377
  173    HE2  PHE  18           HE2      PHE  18   8.996  -1.668   7.321
  174    HZ   PHE  18           HZ       PHE  18   9.769  -0.073   9.017
  175    H    LYS  19           HN       LYS  19  12.660   0.421   3.488
  176    HA   LYS  19           HA       LYS  19  11.865  -2.286   2.924
  177    HB2  LYS  19           HB2      LYS  19  13.884  -2.623   1.466
  178    HB3  LYS  19           HB1      LYS  19  12.648  -1.591   0.772
  179    HG2  LYS  19           HG2      LYS  19  13.987   0.392   1.364
  180    HG3  LYS  19           HG1      LYS  19  15.217  -0.669   2.052
  181    HD2  LYS  19           HD2      LYS  19  15.884   0.030  -0.169
  182    HD3  LYS  19           HD1      LYS  19  15.535  -1.697  -0.168
  183    HE2  LYS  19           HE2      LYS  19  14.613  -0.663  -2.147
  184    HE3  LYS  19           HE1      LYS  19  13.308  -1.219  -1.108
  185    HZ1  LYS  19           HZ1      LYS  19  12.791   0.945  -1.935
  186    HZ2  LYS  19           HZ2      LYS  19  14.268   1.567  -1.442
  187    HZ3  LYS  19           HZ3      LYS  19  13.133   1.140  -0.292