*HEADER    ANTIMICROBIAL PROTEIN                   20-MAR-18   6CSK              
*TITLE     TFE-INDUCED NMR STRUCTURE OF A NOVEL BIOACTIVE PEPTIDE (PADBS1R2)     
*TITLE    2 DERIVED FROM A PYROBACULUM AEROPHILUM RIBOSOMAL PROTEIN (L39E)       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PADBS1R2;                                                  
*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 6CSK    0                                                
# Restraints file 1: PaDBS1R2.upl
  7 ARG  HA      7 ARG  HE      4.65  #peak 24 #plist 1 #SUP 0.95 #QF 0.95
 13 ARG  HA     13 ARG  HE      4.45  #peak 25 #plist 1 #SUP 0.98 #QF 0.98
  3 LYS  H       3 LYS  HD2     5.50  #peak 33 #plist 1 #SUP 0.95 #QF 0.89
  3 LYS  H       3 LYS  HD3     5.50  #peak 33 #plist 1 #SUP 0.95 #QF 0.89
  3 LYS  H       3 LYS  HG2     4.70  #peak 34 #plist 1 #SUP 0.98 #QF 0.98
  3 LYS  H       3 LYS  HG3     4.70  #peak 35 #plist 1 #SUP 0.99 #QF 0.99
  4 LEU  H       4 LEU  QD1     4.50  #peak 41 #plist 1 #SUP 1.00
  4 LEU  H       4 LEU  QD2     4.50  #peak 42 #plist 1 #SUP 0.99 #QF 0.99
  5 LEU  H       5 LEU  HG      4.70  #peak 44 #plist 1 #SUP 0.54 #QF 0.42
  4 LEU  QD1     5 LEU  H       5.50  #peak 45 #plist 1 #SUP 0.93 #QF 0.74
  5 LEU  H       5 LEU  QD1     5.50  #peak 45 #plist 1 #SUP 0.93 #QF 0.74
  4 LEU  QD2     5 LEU  H       5.50  #peak 46 #plist 1 #SUP 1.00 #QF 0.48
  5 LEU  H       5 LEU  QD2     5.50  #peak 46 #plist 1 #SUP 1.00 #QF 0.48
  8 LEU  H       8 LEU  HG      5.44  #peak 57 #plist 1 #SUP 0.97 #QF 0.22
  8 LEU  H       8 LEU  QD1     4.95  #peak 58 #plist 1 #SUP 0.99 #QF 0.99
  8 LEU  H       8 LEU  QD2     4.95  #peak 59 #plist 1 #SUP 1.00
 13 ARG  HG2    14 LEU  H       5.50  #peak 64 #plist 1 #SUP 1.00 #QF 0.40
 13 ARG  HG3    14 LEU  H       5.50  #peak 64 #plist 1 #SUP 1.00 #QF 0.40
 14 LEU  H      14 LEU  HG      5.50  #peak 64 #plist 1 #SUP 1.00 #QF 0.40
  3 LYS  H       3 LYS  HE2     5.50  #peak 74 #plist 1 #SUP 0.70 #QF 0.26
  3 LYS  H       3 LYS  HE3     5.50  #peak 74 #plist 1 #SUP 0.70 #QF 0.26
  4 LEU  H       4 LEU  HG      3.58  #peak 78 #plist 1 #SUP 0.85 #QF 0.85
  7 ARG  H       7 ARG  HG2     5.26  #peak 81 #plist 1 #SUP 0.98 #QF 0.97
  7 ARG  H       7 ARG  HG3     5.26  #peak 81 #plist 1 #SUP 0.98 #QF 0.97
 14 LEU  H      14 LEU  HB2     3.59  #peak 87 #plist 1 #SUP 0.98 #QF 0.98
 14 LEU  H      14 LEU  QD1     4.80  #peak 89 #plist 1 #SUP 0.69 #QF 0.39
 14 LEU  H      14 LEU  QD2     4.80  #peak 90 #plist 1 #SUP 0.99 #QF 0.99
 14 LEU  H      14 LEU  HB3     3.59  #peak 91 #plist 1 #SUP 0.99 #QF 0.99
 12 ILE  H      12 ILE  HG12    5.50  #peak 104 #plist 1 #SUP 1.00
 12 ILE  H      12 ILE  HG13    5.50  #peak 105 #plist 1 #SUP 0.99 #QF 0.99
 12 ILE  H      12 ILE  QG2     4.06  #peak 108 #plist 1 #SUP 1.00
 12 ILE  H      12 ILE  QD1     5.32  #peak 109 #plist 1 #SUP 1.00
 13 ARG  H      13 ARG  HD2     4.93  #peak 110 #plist 1 #SUP 0.95 #QF 0.95
 13 ARG  H      13 ARG  HD3     4.93  #peak 111 #plist 1 #SUP 0.98 #QF 0.98
 12 ILE  HB     13 ARG  H       3.94  #peak 112 #plist 1 #SUP 0.97 #QF 0.40
 13 ARG  H      13 ARG  HG3     4.64  #peak 115 #plist 1 #SUP 0.98 #QF 0.98
 13 ARG  H      13 ARG  HG2     4.64  #peak 116 #plist 1 #SUP 0.99 #QF 0.99
 15 ALA  H      15 ALA  QB      3.05  #peak 117 #plist 1 #SUP 1.00
 16 ALA  H      16 ALA  QB      2.92  #peak 118 #plist 1 #SUP 1.00
 17 ALA  H      17 ALA  QB      2.82  #peak 119 #plist 1 #SUP 0.90 #QF 0.90
 18 PHE  H      18 PHE  HB2     3.21  #peak 120 #plist 1 #SUP 0.88 #QF 0.88
 18 PHE  H      18 PHE  HB3     3.21  #peak 121 #plist 1 #SUP 0.81 #QF 0.81
 19 LYS  H      19 LYS  HE3     5.50  #peak 122 #plist 1 #SUP 1.00
 19 LYS  H      19 LYS  HE2     5.50  #peak 123 #plist 1 #SUP 0.99 #QF 0.99
 19 LYS  H      19 LYS  HB3     3.60  #peak 124 #plist 1 #SUP 1.00
 19 LYS  H      19 LYS  HB2     3.60  #peak 125 #plist 1 #SUP 0.99 #QF 0.99
 19 LYS  H      19 LYS  HD3     3.86  #peak 126 #plist 1 #SUP 0.98 #QF 0.98
 19 LYS  H      19 LYS  HD2     3.86  #peak 127 #plist 1 #SUP 0.98 #QF 0.98
 16 ALA  QB     17 ALA  H       4.13  #peak 129 #plist 1 #SUP 0.94 #QF 0.77
  6 LYS  H       6 LYS  HG2     5.06  #peak 131 #plist 1 #SUP 1.00 #QF 0.99
 15 ALA  QB     16 ALA  H       4.24  #peak 132 #plist 1 #SUP 0.82 #QF 0.44
 10 LYS  H      10 LYS  HG3     4.97  #peak 135 #plist 1 #SUP 0.99 #QF 0.92
 11 LYS  H      11 LYS  HG3     5.49  #peak 135 #plist 1 #SUP 0.99 #QF 0.92
 10 LYS  H      10 LYS  HG2     4.97  #peak 136 #plist 1 #SUP 1.00 #QF 0.99
 11 LYS  H      11 LYS  HG2     5.49  #peak 136 #plist 1 #SUP 1.00 #QF 0.99
  6 LYS  H       6 LYS  HE3     5.50  #peak 137 #plist 1 #SUP 0.73 #QF 0.34
 11 LYS  H      11 LYS  HE3     5.50  #peak 137 #plist 1 #SUP 0.73 #QF 0.34
  6 LYS  H       6 LYS  HE2     5.50  #peak 138 #plist 1 #SUP 0.71 #QF 0.24
 11 LYS  H      11 LYS  HE2     5.50  #peak 138 #plist 1 #SUP 0.71 #QF 0.24
  6 LYS  H       6 LYS  HG3     5.06  #peak 144 #plist 1 #SUP 0.98 #QF 0.68
  7 ARG  HB2     7 ARG  HE      4.10  #peak 155 #plist 1 #SUP 0.84 #QF 0.84
  7 ARG  HB3     7 ARG  HE      4.10  #peak 156 #plist 1 #SUP 0.95 #QF 0.95
 13 ARG  HB3    13 ARG  HE      4.06  #peak 159 #plist 1 #SUP 0.89 #QF 0.89
 13 ARG  HB2    13 ARG  HE      4.06  #peak 160 #plist 1 #SUP 0.96 #QF 0.96
  2 MET  H       2 MET  QG      4.40  #peak 26 #plist 1
  3 LYS  H       3 LYS  QB      3.65  #peak 72 #plist 1
  3 LYS  H       3 LYS  QG      4.05  #peak 34 #plist 1
  3 LYS  H       3 LYS  QD      4.82  #peak 33 #plist 1
  4 LEU  H       4 LEU  QB      3.20  #peak 77 #plist 1
  4 LEU  QB      5 LEU  H       4.08  #peak 44 #plist 1
  4 LEU  QQD     5 LEU  H       4.82  #peak 45 #plist 1
  5 LEU  H       5 LEU  QB      3.58  #peak 43 #plist 1
  5 LEU  QB      6 LYS  H       3.81  #peak 141 #plist 1
  6 LYS  H       6 LYS  QB      3.49  #peak 98 #plist 1
  6 LYS  H       6 LYS  QG      4.43  #peak 131 #plist 1
  6 LYS  QB      7 ARG  H       4.19  #peak 53 #plist 1
  7 ARG  H       7 ARG  QG      4.53  #peak 81 #plist 1
  7 ARG  H       7 ARG  QD      4.32  #peak 80 #plist 1
  7 ARG  QB      7 ARG  HE      3.54  #peak 155 #plist 1
  7 ARG  QB      8 LEU  H       4.04  #peak 82 #plist 1
  7 ARG  QG      8 LEU  H       4.96  #peak 57 #plist 1
  8 LEU  H       8 LEU  QB      3.47  #peak 56 #plist 1
  8 LEU  H       8 LEU  QQD     4.35  #peak 59 #plist 1
 10 LYS  H      10 LYS  QB      3.55  #peak 92 #plist 1
 10 LYS  H      10 LYS  QG      4.36  #peak 135 #plist 1
 10 LYS  H      10 LYS  QE      5.34  #peak 137 #plist 1
 11 LYS  H      11 LYS  QB      3.52  #peak 99 #plist 1
 11 LYS  H      11 LYS  QG      4.73  #peak 135 #plist 1
 13 ARG  H      13 ARG  QG      4.07  #peak 115 #plist 1
 13 ARG  H      13 ARG  QD      4.33  #peak 111 #plist 1
 13 ARG  QB     13 ARG  HE      3.41  #peak 159 #plist 1
 13 ARG  QB     14 LEU  H       3.45  #peak 95 #plist 1
 13 ARG  QG     14 LEU  H       4.84  #peak 64 #plist 1
 14 LEU  H      14 LEU  QQD     3.95  #peak 90 #plist 1
 18 PHE  H      18 PHE  QB      2.79  #peak 121 #plist 1
 19 LYS  H      19 LYS  QB      3.16  #peak 125 #plist 1
 19 LYS  H      19 LYS  QG      3.54  #peak 128 #plist 1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1  12.777   6.038   0.708
    2    H3   PRO   1           HT2      PRO   1  13.926   5.792   1.836
    3    HA   PRO   1           HA       PRO   1  14.314   4.509  -0.076
    4    HB2  PRO   1           HB2      PRO   1  13.333   2.403   1.739
    5    HB3  PRO   1           HB1      PRO   1  14.959   2.679   1.083
    6    HG2  PRO   1           HG2      PRO   1  14.409   3.285   3.617
    7    HG3  PRO   1           HG1      PRO   1  15.463   4.321   2.642
    8    HD2  PRO   1           HD2      PRO   1  12.643   4.654   3.433
    9    HD3  PRO   1           HD1      PRO   1  13.877   5.889   3.363
   10    H    MET   2           HN       MET   2  13.574   3.351  -1.751
   11    HA   MET   2           HA       MET   2  10.890   3.630  -2.500
   12    HB2  MET   2           HB2      MET   2  12.800   3.545  -4.054
   13    HB3  MET   2           HB1      MET   2  13.031   1.852  -3.667
   14    HG2  MET   2           HG2      MET   2  11.920   2.109  -5.802
   15    HG3  MET   2           HG1      MET   2  10.850   1.329  -4.640
   16    HE1  MET   2           HE1      MET   2  10.100   2.788  -7.493
   17    HE2  MET   2           HE2      MET   2   8.561   3.527  -7.052
   18    HE3  MET   2           HE3      MET   2   8.931   1.884  -6.529
   19    H    LYS   3           HN       LYS   3  12.697   0.860  -1.290
   20    HA   LYS   3           HA       LYS   3  10.680  -1.064  -1.711
   21    HB2  LYS   3           HB2      LYS   3  12.960  -1.054   0.261
   22    HB3  LYS   3           HB1      LYS   3  11.978  -2.463  -0.123
   23    HG2  LYS   3           HG2      LYS   3  12.730  -2.390  -2.435
   24    HG3  LYS   3           HG1      LYS   3  13.684  -0.952  -2.106
   25    HD2  LYS   3           HD2      LYS   3  14.092  -3.670  -0.850
   26    HD3  LYS   3           HD1      LYS   3  15.053  -2.994  -2.163
   27    HE2  LYS   3           HE2      LYS   3  15.768  -1.166  -0.699
   28    HE3  LYS   3           HE1      LYS   3  14.807  -1.842   0.617
   29    HZ1  LYS   3           HZ1      LYS   3  17.085  -2.435   0.845
   30    HZ2  LYS   3           HZ2      LYS   3  17.139  -3.116  -0.693
   31    HZ3  LYS   3           HZ3      LYS   3  16.192  -3.821   0.515
   32    H    LEU   4           HN       LEU   4  11.292   1.139   0.912
   33    HA   LEU   4           HA       LEU   4   9.274  -0.016   2.605
   34    HB2  LEU   4           HB2      LEU   4  10.738   2.613   2.788
   35    HB3  LEU   4           HB1      LEU   4   9.566   2.071   3.969
   36    HG   LEU   4           HG       LEU   4  12.183   0.719   3.337
   37   HD11  LEU   4          HD11      LEU   4  12.467   2.824   4.524
   38   HD12  LEU   4          HD12      LEU   4  12.837   1.454   5.570
   39   HD13  LEU   4          HD13      LEU   4  11.300   2.305   5.740
   40   HD21  LEU   4          HD21      LEU   4  10.080   0.073   5.405
   41   HD22  LEU   4          HD22      LEU   4  11.677  -0.662   5.314
   42   HD23  LEU   4          HD23      LEU   4  10.520  -0.921   4.012
   43    H    LEU   5           HN       LEU   5   9.412   2.449   0.169
   44    HA   LEU   5           HA       LEU   5   6.915   3.639   0.772
   45    HB2  LEU   5           HB2      LEU   5   8.407   3.532  -1.846
   46    HB3  LEU   5           HB1      LEU   5   6.989   4.515  -1.553
   47    HG   LEU   5           HG       LEU   5   9.688   4.818  -0.244
   48   HD11  LEU   5          HD11      LEU   5   8.186   6.555  -2.184
   49   HD12  LEU   5          HD12      LEU   5   9.628   5.600  -2.529
   50   HD13  LEU   5          HD13      LEU   5   9.716   6.963  -1.412
   51   HD21  LEU   5          HD21      LEU   5   7.142   6.382   0.177
   52   HD22  LEU   5          HD22      LEU   5   8.732   6.839   0.783
   53   HD23  LEU   5          HD23      LEU   5   7.961   5.367   1.370
   54    H    LYS   6           HN       LYS   6   7.852   0.821  -0.977
   55    HA   LYS   6           HA       LYS   6   5.417   0.238  -2.284
   56    HB2  LYS   6           HB2      LYS   6   7.425  -1.681  -1.086
   57    HB3  LYS   6           HB1      LYS   6   6.163  -2.114  -2.223
   58    HG2  LYS   6           HG2      LYS   6   8.496  -0.294  -2.785
   59    HG3  LYS   6           HG1      LYS   6   8.356  -1.981  -3.281
   60    HD2  LYS   6           HD2      LYS   6   6.317  -1.369  -4.560
   61    HD3  LYS   6           HD1      LYS   6   6.613   0.317  -4.146
   62    HE2  LYS   6           HE2      LYS   6   7.495  -0.102  -6.355
   63    HE3  LYS   6           HE1      LYS   6   8.828   0.152  -5.234
   64    HZ1  LYS   6           HZ1      LYS   6   7.864  -2.513  -6.126
   65    HZ2  LYS   6           HZ2      LYS   6   9.217  -2.197  -5.150
   66    HZ3  LYS   6           HZ3      LYS   6   9.205  -1.698  -6.744
   67    H    ARG   7           HN       ARG   7   6.665  -0.507   0.897
   68    HA   ARG   7           HA       ARG   7   4.468  -2.069   1.813
   69    HB2  ARG   7           HB2      ARG   7   6.522  -0.540   3.425
   70    HB3  ARG   7           HB1      ARG   7   5.484  -1.820   4.030
   71    HG2  ARG   7           HG2      ARG   7   7.587  -2.165   1.895
   72    HG3  ARG   7           HG1      ARG   7   7.805  -2.561   3.596
   73    HD2  ARG   7           HD2      ARG   7   5.764  -3.811   1.742
   74    HD3  ARG   7           HD1      ARG   7   7.284  -4.549   2.242
   75    HE   ARG   7           HE       ARG   7   5.681  -3.762   4.451
   76   HH11  ARG   7          HH11      ARG   7   6.136  -6.380   2.089
   77   HH12  ARG   7          HH12      ARG   7   5.435  -7.565   3.084
   78   HH21  ARG   7          HH21      ARG   7   4.703  -5.410   5.793
   79   HH22  ARG   7          HH22      ARG   7   4.605  -7.009   5.214
   80    H    LEU   8           HN       LEU   8   5.299   1.315   1.971
   81    HA   LEU   8           HA       LEU   8   3.192   2.157   3.676
   82    HB2  LEU   8           HB2      LEU   8   5.227   3.491   3.247
   83    HB3  LEU   8           HB1      LEU   8   4.753   3.670   1.575
   84    HG   LEU   8           HG       LEU   8   2.790   4.996   2.298
   85   HD11  LEU   8          HD11      LEU   8   4.027   4.787   5.038
   86   HD12  LEU   8          HD12      LEU   8   2.505   4.058   4.525
   87   HD13  LEU   8          HD13      LEU   8   2.664   5.813   4.589
   88   HD21  LEU   8          HD21      LEU   8   4.046   6.998   2.920
   89   HD22  LEU   8          HD22      LEU   8   4.869   6.099   1.645
   90   HD23  LEU   8          HD23      LEU   8   5.447   6.002   3.308
   91    H    GLY   9           HN       GLY   9   3.649   2.244   0.168
   92    HA2  GLY   9           HA2      GLY   9   1.189   3.356  -0.531
   93    HA3  GLY   9           HA1      GLY   9   2.223   2.407  -1.585
   94    H    LYS  10           HN       LYS  10   2.124  -0.001  -0.068
   95    HA   LYS  10           HA       LYS  10  -0.111  -1.238  -1.139
   96    HB2  LYS  10           HB2      LYS  10   1.916  -2.440  -0.412
   97    HB3  LYS  10           HB1      LYS  10   1.498  -2.124   1.264
   98    HG2  LYS  10           HG2      LYS  10  -0.503  -3.483   1.049
   99    HG3  LYS  10           HG1      LYS  10  -0.155  -3.748  -0.660
  100    HD2  LYS  10           HD2      LYS  10   1.930  -4.880  -0.054
  101    HD3  LYS  10           HD1      LYS  10   1.570  -4.628   1.656
  102    HE2  LYS  10           HE2      LYS  10  -0.448  -5.969   1.439
  103    HE3  LYS  10           HE1      LYS  10  -0.136  -6.190  -0.280
  104    HZ1  LYS  10           HZ1      LYS  10   1.882  -7.405   0.271
  105    HZ2  LYS  10           HZ2      LYS  10   0.556  -8.098   1.074
  106    HZ3  LYS  10           HZ3      LYS  10   1.622  -7.129   1.914
  107    H    LYS  11           HN       LYS  11   0.362  -0.002   2.159
  108    HA   LYS  11           HA       LYS  11  -2.214  -0.854   3.039
  109    HB2  LYS  11           HB2      LYS  11  -0.281   1.134   4.227
  110    HB3  LYS  11           HB1      LYS  11  -1.802   0.695   4.992
  111    HG2  LYS  11           HG2      LYS  11  -1.048  -1.656   5.064
  112    HG3  LYS  11           HG1      LYS  11   0.506  -1.151   4.399
  113    HD2  LYS  11           HD2      LYS  11  -0.668  -0.105   6.978
  114    HD3  LYS  11           HD1      LYS  11   0.469  -1.445   6.890
  115    HE2  LYS  11           HE2      LYS  11   1.004   1.365   5.915
  116    HE3  LYS  11           HE1      LYS  11   1.546   0.701   7.455
  117    HZ1  LYS  11           HZ1      LYS  11   2.796  -0.977   6.196
  118    HZ2  LYS  11           HZ2      LYS  11   3.305   0.578   5.915
  119    HZ3  LYS  11           HZ3      LYS  11   2.383  -0.214   4.744
  120    H    ILE  12           HN       ILE  12  -0.950   2.118   1.726
  121    HA   ILE  12           HA       ILE  12  -3.271   3.659   2.177
  122    HB   ILE  12           HB       ILE  12  -1.093   4.052   0.096
  123   HG12  ILE  12          HG12      ILE  12  -1.461   5.294   2.837
  124   HG13  ILE  12          HG11      ILE  12  -0.285   4.052   2.434
  125   HG21  ILE  12          HG21      ILE  12  -1.863   6.395   0.017
  126   HG22  ILE  12          HG22      ILE  12  -3.196   5.984   1.095
  127   HG23  ILE  12          HG23      ILE  12  -3.115   5.272  -0.517
  128   HD11  ILE  12          HD11      ILE  12   0.746   6.248   2.560
  129   HD12  ILE  12          HD12      ILE  12  -0.357   6.852   1.324
  130   HD13  ILE  12          HD13      ILE  12   0.831   5.613   0.916
  131    H    ARG  13           HN       ARG  13  -2.166   1.821  -0.671
  132    HA   ARG  13           HA       ARG  13  -4.469   2.554  -2.173
  133    HB2  ARG  13           HB2      ARG  13  -3.700   1.130  -3.921
  134    HB3  ARG  13           HB1      ARG  13  -2.288   1.886  -3.219
  135    HG2  ARG  13           HG2      ARG  13  -1.723  -0.138  -2.043
  136    HG3  ARG  13           HG1      ARG  13  -3.205  -0.913  -2.601
  137    HD2  ARG  13           HD2      ARG  13  -0.891   0.013  -4.307
  138    HD3  ARG  13           HD1      ARG  13  -1.338  -1.656  -3.958
  139    HE   ARG  13           HE       ARG  13  -3.295   0.044  -5.320
  140   HH11  ARG  13          HH11      ARG  13  -1.110  -2.733  -5.519
  141   HH12  ARG  13          HH12      ARG  13  -1.628  -3.172  -7.082
  142   HH21  ARG  13          HH21      ARG  13  -3.967  -0.551  -7.418
  143   HH22  ARG  13          HH22      ARG  13  -3.295  -1.911  -8.206
  144    H    LEU  14           HN       LEU  14  -3.755  -0.075  -0.004
  145    HA   LEU  14           HA       LEU  14  -5.922  -1.722  -0.759
  146    HB2  LEU  14           HB2      LEU  14  -4.014  -2.496   0.617
  147    HB3  LEU  14           HB1      LEU  14  -4.566  -1.477   1.929
  148    HG   LEU  14           HG       LEU  14  -6.645  -2.822   2.057
  149   HD11  LEU  14          HD11      LEU  14  -5.258  -4.577   0.052
  150   HD12  LEU  14          HD12      LEU  14  -6.707  -3.612  -0.233
  151   HD13  LEU  14          HD13      LEU  14  -6.753  -4.954   0.908
  152   HD21  LEU  14          HD21      LEU  14  -4.092  -4.399   2.289
  153   HD22  LEU  14          HD22      LEU  14  -5.623  -4.775   3.080
  154   HD23  LEU  14          HD23      LEU  14  -4.748  -3.305   3.507
  155    H    ALA  15           HN       ALA  15  -5.525   0.884   1.559
  156    HA   ALA  15           HA       ALA  15  -8.160   0.761   2.613
  157    HB1  ALA  15           HB1      ALA  15  -6.298   1.821   3.816
  158    HB2  ALA  15           HB2      ALA  15  -7.645   2.938   3.596
  159    HB3  ALA  15           HB3      ALA  15  -6.213   3.070   2.574
  160    H    ALA  16           HN       ALA  16  -6.673   2.283  -0.112
  161    HA   ALA  16           HA       ALA  16  -8.767   4.070  -0.756
  162    HB1  ALA  16           HB1      ALA  16  -6.710   2.865  -2.596
  163    HB2  ALA  16           HB2      ALA  16  -6.475   4.303  -1.611
  164    HB3  ALA  16           HB3      ALA  16  -7.673   4.311  -2.910
  165    H    ALA  17           HN       ALA  17  -7.976   0.801  -1.799
  166    HA   ALA  17           HA       ALA  17 -10.176   0.576  -3.602
  167    HB1  ALA  17           HB1      ALA  17  -8.125  -0.723  -3.899
  168    HB2  ALA  17           HB2      ALA  17  -9.534  -1.775  -3.765
  169    HB3  ALA  17           HB3      ALA  17  -8.445  -1.579  -2.391
  170    H    PHE  18           HN       PHE  18  -9.737   0.107  -0.241
  171    HA   PHE  18           HA       PHE  18 -11.633  -1.780   0.448
  172    HB2  PHE  18           HB2      PHE  18  -9.985  -0.759   2.012
  173    HB3  PHE  18           HB1      PHE  18 -10.937   0.717   2.013
  174    HD1  PHE  18           HD1      PHE  18 -12.967   0.881   3.313
  175    HD2  PHE  18           HD2      PHE  18 -10.817  -2.788   3.082
  176    HE1  PHE  18           HE1      PHE  18 -14.287  -0.009   5.180
  177    HE2  PHE  18           HE2      PHE  18 -12.138  -3.681   4.948
  178    HZ   PHE  18           HZ       PHE  18 -13.875  -2.296   5.999
  179    H    LYS  19           HN       LYS  19 -12.150   1.758   0.267
  180    HA   LYS  19           HA       LYS  19 -14.955   1.201   0.361
  181    HB2  LYS  19           HB2      LYS  19 -15.354   3.489   0.803
  182    HB3  LYS  19           HB1      LYS  19 -13.981   3.059   1.791
  183    HG2  LYS  19           HG2      LYS  19 -13.860   4.592  -0.805
  184    HG3  LYS  19           HG1      LYS  19 -13.828   5.314   0.795
  185    HD2  LYS  19           HD2      LYS  19 -11.706   4.271   1.262
  186    HD3  LYS  19           HD1      LYS  19 -11.787   3.361  -0.249
  187    HE2  LYS  19           HE2      LYS  19 -11.697   6.363  -0.054
  188    HE3  LYS  19           HE1      LYS  19 -10.314   5.335  -0.419
  189    HZ1  LYS  19           HZ1      LYS  19 -11.273   6.191  -2.456
  190    HZ2  LYS  19           HZ2      LYS  19 -12.783   5.642  -2.027
  191    HZ3  LYS  19           HZ3      LYS  19 -11.566   4.519  -2.384
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1  14.531   4.428   2.664
    2    H3   PRO   1           HT2      PRO   1  15.103   4.610   1.124
    3    HA   PRO   1           HA       PRO   1  15.600   2.296   0.915
    4    HB2  PRO   1           HB2      PRO   1  13.808   1.231   2.755
    5    HB3  PRO   1           HB1      PRO   1  15.569   1.120   2.841
    6    HG2  PRO   1           HG2      PRO   1  13.732   3.047   4.191
    7    HG3  PRO   1           HG1      PRO   1  15.230   2.327   4.800
    8    HD2  PRO   1           HD2      PRO   1  15.192   4.848   4.022
    9    HD3  PRO   1           HD1      PRO   1  16.561   3.805   3.678
   10    H    MET   2           HN       MET   2  14.475   2.446  -0.899
   11    HA   MET   2           HA       MET   2  11.958   3.599  -1.260
   12    HB2  MET   2           HB2      MET   2  13.447   1.627  -2.973
   13    HB3  MET   2           HB1      MET   2  11.953   2.411  -3.464
   14    HG2  MET   2           HG2      MET   2  14.520   3.802  -2.763
   15    HG3  MET   2           HG1      MET   2  13.905   3.519  -4.393
   16    HE1  MET   2           HE1      MET   2  14.246   6.089  -4.837
   17    HE2  MET   2           HE2      MET   2  14.751   6.396  -3.173
   18    HE3  MET   2           HE3      MET   2  13.484   7.375  -3.903
   19    H    LYS   3           HN       LYS   3  12.812   0.334  -0.455
   20    HA   LYS   3           HA       LYS   3  10.411  -0.899  -1.185
   21    HB2  LYS   3           HB2      LYS   3  11.063  -2.760   0.281
   22    HB3  LYS   3           HB1      LYS   3  12.389  -2.205  -0.718
   23    HG2  LYS   3           HG2      LYS   3  13.326  -1.002   1.212
   24    HG3  LYS   3           HG1      LYS   3  12.001  -1.609   2.205
   25    HD2  LYS   3           HD2      LYS   3  12.698  -3.909   1.758
   26    HD3  LYS   3           HD1      LYS   3  14.003  -3.321   0.732
   27    HE2  LYS   3           HE2      LYS   3  14.989  -2.175   2.669
   28    HE3  LYS   3           HE1      LYS   3  13.685  -2.793   3.682
   29    HZ1  LYS   3           HZ1      LYS   3  15.697  -4.436   2.244
   30    HZ2  LYS   3           HZ2      LYS   3  14.452  -5.049   3.208
   31    HZ3  LYS   3           HZ3      LYS   3  15.676  -4.125   3.895
   32    H    LEU   4           HN       LEU   4  11.135   1.049   1.597
   33    HA   LEU   4           HA       LEU   4   8.902   0.086   3.114
   34    HB2  LEU   4           HB2      LEU   4  10.491   2.619   3.472
   35    HB3  LEU   4           HB1      LEU   4   9.348   1.964   4.627
   36    HG   LEU   4           HG       LEU   4  12.016   0.807   3.836
   37   HD11  LEU   4          HD11      LEU   4  12.588   1.155   6.158
   38   HD12  LEU   4          HD12      LEU   4  10.980   1.795   6.474
   39   HD13  LEU   4          HD13      LEU   4  12.079   2.672   5.413
   40   HD21  LEU   4          HD21      LEU   4  10.432  -1.024   4.115
   41   HD22  LEU   4          HD22      LEU   4   9.925  -0.368   5.671
   42   HD23  LEU   4          HD23      LEU   4  11.568  -0.975   5.461
   43    H    LEU   5           HN       LEU   5   9.486   2.663   0.861
   44    HA   LEU   5           HA       LEU   5   6.996   3.985   1.265
   45    HB2  LEU   5           HB2      LEU   5   8.915   4.020  -1.066
   46    HB3  LEU   5           HB1      LEU   5   7.432   4.942  -1.061
   47    HG   LEU   5           HG       LEU   5   9.229   6.411  -0.578
   48   HD11  LEU   5          HD11      LEU   5   7.729   5.848   1.957
   49   HD12  LEU   5          HD12      LEU   5   7.216   6.882   0.624
   50   HD13  LEU   5          HD13      LEU   5   8.624   7.321   1.590
   51   HD21  LEU   5          HD21      LEU   5  10.913   4.842   0.177
   52   HD22  LEU   5          HD22      LEU   5  10.006   4.547   1.659
   53   HD23  LEU   5          HD23      LEU   5  10.720   6.132   1.365
   54    H    LYS   6           HN       LYS   6   8.076   1.296  -0.628
   55    HA   LYS   6           HA       LYS   6   5.679   1.135  -2.150
   56    HB2  LYS   6           HB2      LYS   6   7.879  -0.885  -1.745
   57    HB3  LYS   6           HB1      LYS   6   6.515  -1.123  -2.832
   58    HG2  LYS   6           HG2      LYS   6   8.610   1.038  -3.031
   59    HG3  LYS   6           HG1      LYS   6   8.438  -0.371  -4.084
   60    HD2  LYS   6           HD2      LYS   6   6.228   0.445  -4.803
   61    HD3  LYS   6           HD1      LYS   6   6.412   1.843  -3.748
   62    HE2  LYS   6           HE2      LYS   6   8.379   2.530  -5.042
   63    HE3  LYS   6           HE1      LYS   6   8.101   1.175  -6.138
   64    HZ1  LYS   6           HZ1      LYS   6   7.116   3.197  -7.029
   65    HZ2  LYS   6           HZ2      LYS   6   6.214   3.408  -5.622
   66    HZ3  LYS   6           HZ3      LYS   6   5.916   2.087  -6.619
   67    H    ARG   7           HN       ARG   7   6.648  -0.150   0.926
   68    HA   ARG   7           HA       ARG   7   4.469  -1.947   1.212
   69    HB2  ARG   7           HB2      ARG   7   5.735  -0.286   3.400
   70    HB3  ARG   7           HB1      ARG   7   4.703  -1.681   3.642
   71    HG2  ARG   7           HG2      ARG   7   6.441  -3.047   2.472
   72    HG3  ARG   7           HG1      ARG   7   7.484  -1.621   2.513
   73    HD2  ARG   7           HD2      ARG   7   6.317  -3.107   4.860
   74    HD3  ARG   7           HD1      ARG   7   8.014  -2.996   4.404
   75    HE   ARG   7           HE       ARG   7   7.040  -0.410   4.823
   76   HH11  ARG   7          HH11      ARG   7   7.754  -3.323   6.715
   77   HH12  ARG   7          HH12      ARG   7   8.028  -2.465   8.166
   78   HH21  ARG   7          HH21      ARG   7   7.467   0.746   6.835
   79   HH22  ARG   7          HH22      ARG   7   7.906  -0.144   8.224
   80    H    LEU   8           HN       LEU   8   4.918   1.438   1.934
   81    HA   LEU   8           HA       LEU   8   2.353   2.020   2.939
   82    HB2  LEU   8           HB2      LEU   8   4.339   3.450   3.230
   83    HB3  LEU   8           HB1      LEU   8   4.342   3.795   1.517
   84    HG   LEU   8           HG       LEU   8   2.146   4.933   1.792
   85   HD11  LEU   8          HD11      LEU   8   1.355   3.807   3.786
   86   HD12  LEU   8          HD12      LEU   8   1.421   5.549   4.050
   87   HD13  LEU   8          HD13      LEU   8   2.671   4.508   4.727
   88   HD21  LEU   8          HD21      LEU   8   3.066   6.927   2.868
   89   HD22  LEU   8          HD22      LEU   8   4.223   6.198   1.755
   90   HD23  LEU   8          HD23      LEU   8   4.408   5.970   3.494
   91    H    GLY   9           HN       GLY   9   3.709   1.900  -0.274
   92    HA2  GLY   9           HA2      GLY   9   1.604   3.065  -1.729
   93    HA3  GLY   9           HA1      GLY   9   2.795   1.940  -2.372
   94    H    LYS  10           HN       LYS  10   2.264  -0.250  -0.802
   95    HA   LYS  10           HA       LYS  10  -0.012  -1.372  -2.059
   96    HB2  LYS  10           HB2      LYS  10   1.604  -2.302   0.311
   97    HB3  LYS  10           HB1      LYS  10   0.350  -3.263  -0.450
   98    HG2  LYS  10           HG2      LYS  10   2.842  -2.275  -1.827
   99    HG3  LYS  10           HG1      LYS  10   2.641  -3.884  -1.143
  100    HD2  LYS  10           HD2      LYS  10   0.998  -2.691  -3.390
  101    HD3  LYS  10           HD1      LYS  10   2.274  -3.886  -3.572
  102    HE2  LYS  10           HE2      LYS  10  -0.359  -4.266  -2.125
  103    HE3  LYS  10           HE1      LYS  10   0.114  -4.969  -3.665
  104    HZ1  LYS  10           HZ1      LYS  10   1.864  -6.206  -2.504
  105    HZ2  LYS  10           HZ2      LYS  10   0.330  -6.560  -1.915
  106    HZ3  LYS  10           HZ3      LYS  10   1.345  -5.571  -1.025
  107    H    LYS  11           HN       LYS  11   0.609  -0.070   1.137
  108    HA   LYS  11           HA       LYS  11  -1.855  -0.801   2.257
  109    HB2  LYS  11           HB2      LYS  11  -0.007   1.439   3.079
  110    HB3  LYS  11           HB1      LYS  11  -1.380   0.877   4.020
  111    HG2  LYS  11           HG2      LYS  11   1.090  -0.701   3.319
  112    HG3  LYS  11           HG1      LYS  11   0.643  -0.075   4.907
  113    HD2  LYS  11           HD2      LYS  11  -1.327  -1.522   4.928
  114    HD3  LYS  11           HD1      LYS  11  -0.900  -2.125   3.328
  115    HE2  LYS  11           HE2      LYS  11   1.207  -2.989   4.234
  116    HE3  LYS  11           HE1      LYS  11   0.722  -2.449   5.840
  117    HZ1  LYS  11           HZ1      LYS  11  -1.207  -3.922   5.685
  118    HZ2  LYS  11           HZ2      LYS  11   0.237  -4.781   5.519
  119    HZ3  LYS  11           HZ3      LYS  11  -0.693  -4.445   4.166
  120    H    ILE  12           HN       ILE  12  -0.892   2.287   0.772
  121    HA   ILE  12           HA       ILE  12  -3.389   3.472   1.226
  122    HB   ILE  12           HB       ILE  12  -1.423   4.827   0.576
  123   HG12  ILE  12          HG12      ILE  12  -3.743   5.156  -1.347
  124   HG13  ILE  12          HG11      ILE  12  -3.683   5.774   0.297
  125   HG21  ILE  12          HG21      ILE  12  -0.701   5.001  -1.758
  126   HG22  ILE  12          HG22      ILE  12  -1.783   3.672  -2.175
  127   HG23  ILE  12          HG23      ILE  12  -0.426   3.392  -1.085
  128   HD11  ILE  12          HD11      ILE  12  -1.896   6.619  -1.978
  129   HD12  ILE  12          HD12      ILE  12  -1.836   7.251  -0.333
  130   HD13  ILE  12          HD13      ILE  12  -3.262   7.528  -1.333
  131    H    ARG  13           HN       ARG  13  -2.282   1.446  -1.366
  132    HA   ARG  13           HA       ARG  13  -4.504   1.699  -3.082
  133    HB2  ARG  13           HB2      ARG  13  -2.630  -0.639  -2.695
  134    HB3  ARG  13           HB1      ARG  13  -3.874  -0.599  -3.934
  135    HG2  ARG  13           HG2      ARG  13  -2.823   1.350  -4.945
  136    HG3  ARG  13           HG1      ARG  13  -1.603   1.358  -3.676
  137    HD2  ARG  13           HD2      ARG  13  -0.762   0.330  -5.745
  138    HD3  ARG  13           HD1      ARG  13  -0.783  -0.815  -4.405
  139    HE   ARG  13           HE       ARG  13  -3.167  -1.187  -5.670
  140   HH11  ARG  13          HH11      ARG  13   0.204  -1.320  -6.789
  141   HH12  ARG  13          HH12      ARG  13  -0.089  -2.546  -7.931
  142   HH21  ARG  13          HH21      ARG  13  -3.547  -2.879  -7.223
  143   HH22  ARG  13          HH22      ARG  13  -2.274  -3.452  -8.193
  144    H    LEU  14           HN       LEU  14  -3.884  -0.794  -0.622
  145    HA   LEU  14           HA       LEU  14  -6.436  -1.989  -0.927
  146    HB2  LEU  14           HB2      LEU  14  -4.303  -2.261   1.165
  147    HB3  LEU  14           HB1      LEU  14  -5.872  -2.980   1.422
  148    HG   LEU  14           HG       LEU  14  -4.348  -4.659   0.652
  149   HD11  LEU  14          HD11      LEU  14  -5.504  -5.523  -1.283
  150   HD12  LEU  14          HD12      LEU  14  -6.242  -3.950  -1.561
  151   HD13  LEU  14          HD13      LEU  14  -6.630  -4.858  -0.099
  152   HD21  LEU  14          HD21      LEU  14  -3.881  -2.955  -1.794
  153   HD22  LEU  14          HD22      LEU  14  -3.267  -4.591  -1.545
  154   HD23  LEU  14          HD23      LEU  14  -2.712  -3.273  -0.512
  155    H    ALA  15           HN       ALA  15  -5.260   0.540   1.160
  156    HA   ALA  15           HA       ALA  15  -7.569   0.516   2.818
  157    HB1  ALA  15           HB1      ALA  15  -5.463   2.639   2.514
  158    HB2  ALA  15           HB2      ALA  15  -5.427   1.294   3.656
  159    HB3  ALA  15           HB3      ALA  15  -6.666   2.544   3.799
  160    H    ALA  16           HN       ALA  16  -6.621   2.412  -0.039
  161    HA   ALA  16           HA       ALA  16  -8.756   4.243   0.112
  162    HB1  ALA  16           HB1      ALA  16  -6.796   4.623  -1.314
  163    HB2  ALA  16           HB2      ALA  16  -8.289   4.708  -2.252
  164    HB3  ALA  16           HB3      ALA  16  -7.276   3.267  -2.333
  165    H    ALA  17           HN       ALA  17  -8.434   1.062  -1.183
  166    HA   ALA  17           HA       ALA  17 -10.977   1.004  -2.489
  167    HB1  ALA  17           HB1      ALA  17  -9.106  -0.372  -3.247
  168    HB2  ALA  17           HB2      ALA  17 -10.513  -1.355  -2.839
  169    HB3  ALA  17           HB3      ALA  17  -9.146  -1.264  -1.726
  170    H    PHE  18           HN       PHE  18  -9.855   0.472   0.699
  171    HA   PHE  18           HA       PHE  18 -11.914  -1.329   1.515
  172    HB2  PHE  18           HB2      PHE  18  -9.662  -1.174   2.606
  173    HB3  PHE  18           HB1      PHE  18 -10.146   0.375   3.276
  174    HD1  PHE  18           HD1      PHE  18 -10.836  -3.237   3.292
  175    HD2  PHE  18           HD2      PHE  18 -11.541   0.496   5.204
  176    HE1  PHE  18           HE1      PHE  18 -11.842  -4.404   5.196
  177    HE2  PHE  18           HE2      PHE  18 -12.547  -0.677   7.112
  178    HZ   PHE  18           HZ       PHE  18 -12.695  -3.122   7.108
  179    H    LYS  19           HN       LYS  19 -11.381   2.203   2.066
  180    HA   LYS  19           HA       LYS  19 -14.203   2.300   2.526
  181    HB2  LYS  19           HB2      LYS  19 -13.821   4.263   3.988
  182    HB3  LYS  19           HB1      LYS  19 -13.347   2.736   4.714
  183    HG2  LYS  19           HG2      LYS  19 -11.441   4.747   3.491
  184    HG3  LYS  19           HG1      LYS  19 -11.884   4.740   5.192
  185    HD2  LYS  19           HD2      LYS  19 -10.930   2.515   5.447
  186    HD3  LYS  19           HD1      LYS  19 -10.542   2.469   3.725
  187    HE2  LYS  19           HE2      LYS  19  -9.449   4.449   5.719
  188    HE3  LYS  19           HE1      LYS  19  -8.590   3.031   5.115
  189    HZ1  LYS  19           HZ1      LYS  19  -8.746   3.991   2.876
  190    HZ2  LYS  19           HZ2      LYS  19  -7.918   5.013   3.909
  191    HZ3  LYS  19           HZ3      LYS  19  -9.502   5.348   3.489
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1  15.723   2.635   1.140
    2    H3   PRO   1           HT2      PRO   1  16.719   1.544   1.784
    3    HA   PRO   1           HA       PRO   1  15.835   0.738  -0.252
    4    HB2  PRO   1           HB2      PRO   1  14.074  -1.016   0.944
    5    HB3  PRO   1           HB1      PRO   1  15.831  -1.228   0.887
    6    HG2  PRO   1           HG2      PRO   1  14.132  -0.120   3.087
    7    HG3  PRO   1           HG1      PRO   1  15.559  -1.168   3.193
    8    HD2  PRO   1           HD2      PRO   1  15.763   1.408   3.765
    9    HD3  PRO   1           HD1      PRO   1  17.026   0.558   2.896
   10    H    MET   2           HN       MET   2  14.189   0.755  -1.723
   11    HA   MET   2           HA       MET   2  12.101   2.639  -1.236
   12    HB2  MET   2           HB2      MET   2  13.260   2.402  -3.447
   13    HB3  MET   2           HB1      MET   2  12.463   0.848  -3.652
   14    HG2  MET   2           HG2      MET   2  10.277   1.996  -3.489
   15    HG3  MET   2           HG1      MET   2  11.127   3.531  -3.414
   16    HE1  MET   2           HE1      MET   2   8.824   2.935  -5.449
   17    HE2  MET   2           HE2      MET   2   9.482   3.605  -6.942
   18    HE3  MET   2           HE3      MET   2   9.703   4.465  -5.417
   19    H    LYS   3           HN       LYS   3  12.405  -0.775  -0.939
   20    HA   LYS   3           HA       LYS   3   9.925  -1.846  -1.319
   21    HB2  LYS   3           HB2      LYS   3  11.859  -2.359   0.928
   22    HB3  LYS   3           HB1      LYS   3  10.399  -3.302   0.724
   23    HG2  LYS   3           HG2      LYS   3  12.578  -3.053  -1.346
   24    HG3  LYS   3           HG1      LYS   3  12.451  -4.367  -0.180
   25    HD2  LYS   3           HD2      LYS   3  10.378  -3.668  -2.273
   26    HD3  LYS   3           HD1      LYS   3  11.570  -4.965  -2.400
   27    HE2  LYS   3           HE2      LYS   3  10.626  -5.975  -0.365
   28    HE3  LYS   3           HE1      LYS   3   9.385  -4.734  -0.339
   29    HZ1  LYS   3           HZ1      LYS   3   9.786  -6.725  -2.502
   30    HZ2  LYS   3           HZ2      LYS   3   8.606  -5.523  -2.515
   31    HZ3  LYS   3           HZ3      LYS   3   8.552  -6.750  -1.363
   32    H    LEU   4           HN       LEU   4  10.927  -0.097   1.619
   33    HA   LEU   4           HA       LEU   4   8.381  -0.435   2.791
   34    HB2  LEU   4           HB2      LEU   4   9.165   1.144   4.556
   35    HB3  LEU   4           HB1      LEU   4  10.174  -0.257   4.318
   36    HG   LEU   4           HG       LEU   4  11.693   1.312   2.943
   37   HD11  LEU   4          HD11      LEU   4  10.138   3.164   2.708
   38   HD12  LEU   4          HD12      LEU   4  11.613   3.665   3.533
   39   HD13  LEU   4          HD13      LEU   4  10.136   3.396   4.456
   40   HD21  LEU   4          HD21      LEU   4  12.290   0.403   5.109
   41   HD22  LEU   4          HD22      LEU   4  11.387   1.684   5.914
   42   HD23  LEU   4          HD23      LEU   4  12.827   2.075   4.972
   43    H    LEU   5           HN       LEU   5   9.676   1.992   0.737
   44    HA   LEU   5           HA       LEU   5   7.658   3.948   1.238
   45    HB2  LEU   5           HB2      LEU   5   9.424   3.538  -1.181
   46    HB3  LEU   5           HB1      LEU   5   8.412   4.938  -0.914
   47    HG   LEU   5           HG       LEU   5  10.758   4.135   0.813
   48   HD11  LEU   5          HD11      LEU   5  11.861   6.080  -0.165
   49   HD12  LEU   5          HD12      LEU   5  10.473   6.333  -1.225
   50   HD13  LEU   5          HD13      LEU   5  11.458   4.882  -1.395
   51   HD21  LEU   5          HD21      LEU   5   9.002   6.593   0.857
   52   HD22  LEU   5          HD22      LEU   5  10.464   6.364   1.813
   53   HD23  LEU   5          HD23      LEU   5   9.061   5.333   2.092
   54    H    LYS   6           HN       LYS   6   8.115   1.357  -1.087
   55    HA   LYS   6           HA       LYS   6   5.700   1.765  -2.511
   56    HB2  LYS   6           HB2      LYS   6   7.301  -0.776  -2.141
   57    HB3  LYS   6           HB1      LYS   6   5.973  -0.584  -3.272
   58    HG2  LYS   6           HG2      LYS   6   7.279   1.173  -4.427
   59    HG3  LYS   6           HG1      LYS   6   8.618   0.828  -3.326
   60    HD2  LYS   6           HD2      LYS   6   8.691  -1.480  -4.116
   61    HD3  LYS   6           HD1      LYS   6   7.328  -1.163  -5.193
   62    HE2  LYS   6           HE2      LYS   6   8.695   0.531  -6.360
   63    HE3  LYS   6           HE1      LYS   6  10.054   0.122  -5.317
   64    HZ1  LYS   6           HZ1      LYS   6  10.212  -0.985  -7.435
   65    HZ2  LYS   6           HZ2      LYS   6   8.699  -1.714  -7.209
   66    HZ3  LYS   6           HZ3      LYS   6   9.998  -2.125  -6.215
   67    H    ARG   7           HN       ARG   7   6.573  -0.075   0.329
   68    HA   ARG   7           HA       ARG   7   4.170  -1.471   0.656
   69    HB2  ARG   7           HB2      ARG   7   6.140  -2.156   1.832
   70    HB3  ARG   7           HB1      ARG   7   6.204  -0.625   2.694
   71    HG2  ARG   7           HG2      ARG   7   4.199  -1.140   3.888
   72    HG3  ARG   7           HG1      ARG   7   3.958  -2.604   2.939
   73    HD2  ARG   7           HD2      ARG   7   4.917  -2.941   5.222
   74    HD3  ARG   7           HD1      ARG   7   5.840  -3.643   3.892
   75    HE   ARG   7           HE       ARG   7   7.421  -2.059   4.109
   76   HH11  ARG   7          HH11      ARG   7   4.829  -1.342   6.406
   77   HH12  ARG   7          HH12      ARG   7   5.832  -0.583   7.554
   78   HH21  ARG   7          HH21      ARG   7   8.827  -1.016   5.734
   79   HH22  ARG   7          HH22      ARG   7   8.148  -0.383   7.162
   80    H    LEU   8           HN       LEU   8   5.186   1.704   1.790
   81    HA   LEU   8           HA       LEU   8   2.933   2.316   3.349
   82    HB2  LEU   8           HB2      LEU   8   4.706   4.150   1.737
   83    HB3  LEU   8           HB1      LEU   8   3.535   4.693   2.917
   84    HG   LEU   8           HG       LEU   8   5.956   2.997   3.527
   85   HD11  LEU   8          HD11      LEU   8   6.576   5.245   2.861
   86   HD12  LEU   8          HD12      LEU   8   6.825   5.016   4.594
   87   HD13  LEU   8          HD13      LEU   8   5.422   5.916   4.011
   88   HD21  LEU   8          HD21      LEU   8   4.134   2.578   5.087
   89   HD22  LEU   8          HD22      LEU   8   3.928   4.308   5.337
   90   HD23  LEU   8          HD23      LEU   8   5.407   3.511   5.874
   91    H    GLY   9           HN       GLY   9   3.637   3.079  -0.049
   92    HA2  GLY   9           HA2      GLY   9   1.168   4.290  -0.643
   93    HA3  GLY   9           HA1      GLY   9   2.262   3.568  -1.817
   94    H    LYS  10           HN       LYS  10   2.234   0.974  -0.786
   95    HA   LYS  10           HA       LYS  10   0.037  -0.176  -2.078
   96    HB2  LYS  10           HB2      LYS  10   2.283  -1.227  -1.556
   97    HB3  LYS  10           HB1      LYS  10   1.702  -1.456   0.083
   98    HG2  LYS  10           HG2      LYS  10   1.455  -3.510  -1.108
   99    HG3  LYS  10           HG1      LYS  10  -0.153  -2.828  -0.835
  100    HD2  LYS  10           HD2      LYS  10  -0.246  -2.004  -3.087
  101    HD3  LYS  10           HD1      LYS  10   1.423  -2.490  -3.377
  102    HE2  LYS  10           HE2      LYS  10  -0.037  -4.071  -4.388
  103    HE3  LYS  10           HE1      LYS  10   0.757  -4.832  -3.017
  104    HZ1  LYS  10           HZ1      LYS  10  -1.594  -5.378  -3.148
  105    HZ2  LYS  10           HZ2      LYS  10  -2.017  -3.760  -3.005
  106    HZ3  LYS  10           HZ3      LYS  10  -1.268  -4.557  -1.714
  107    H    LYS  11           HN       LYS  11   0.664   0.526   1.324
  108    HA   LYS  11           HA       LYS  11  -1.636  -0.744   2.395
  109    HB2  LYS  11           HB2      LYS  11   0.364  -0.073   3.740
  110    HB3  LYS  11           HB1      LYS  11  -0.101   1.604   3.513
  111    HG2  LYS  11           HG2      LYS  11  -2.252   1.102   4.669
  112    HG3  LYS  11           HG1      LYS  11  -1.637  -0.512   5.009
  113    HD2  LYS  11           HD2      LYS  11  -1.294   0.878   6.948
  114    HD3  LYS  11           HD1      LYS  11   0.274   0.528   6.223
  115    HE2  LYS  11           HE2      LYS  11   0.291   2.714   5.154
  116    HE3  LYS  11           HE1      LYS  11  -1.313   3.062   5.792
  117    HZ1  LYS  11           HZ1      LYS  11   1.168   2.662   7.364
  118    HZ2  LYS  11           HZ2      LYS  11  -0.342   2.907   8.040
  119    HZ3  LYS  11           HZ3      LYS  11   0.375   4.123   7.100
  120    H    ILE  12           HN       ILE  12  -0.937   2.519   1.289
  121    HA   ILE  12           HA       ILE  12  -3.401   3.701   2.040
  122    HB   ILE  12           HB       ILE  12  -1.558   4.526  -0.238
  123   HG12  ILE  12          HG12      ILE  12  -0.289   4.417   1.840
  124   HG13  ILE  12          HG11      ILE  12  -0.525   6.090   1.360
  125   HG21  ILE  12          HG21      ILE  12  -2.480   6.774   0.056
  126   HG22  ILE  12          HG22      ILE  12  -3.559   6.172   1.308
  127   HG23  ILE  12          HG23      ILE  12  -3.744   5.613  -0.354
  128   HD11  ILE  12          HD11      ILE  12  -2.043   4.629   3.516
  129   HD12  ILE  12          HD12      ILE  12  -2.302   6.304   3.028
  130   HD13  ILE  12          HD13      ILE  12  -0.768   5.827   3.755
  131    H    ARG  13           HN       ARG  13  -2.318   1.998  -0.819
  132    HA   ARG  13           HA       ARG  13  -4.733   2.409  -2.282
  133    HB2  ARG  13           HB2      ARG  13  -2.568   0.347  -2.681
  134    HB3  ARG  13           HB1      ARG  13  -3.899   0.622  -3.789
  135    HG2  ARG  13           HG2      ARG  13  -3.086   2.946  -4.110
  136    HG3  ARG  13           HG1      ARG  13  -1.692   2.543  -3.102
  137    HD2  ARG  13           HD2      ARG  13  -1.131   2.324  -5.452
  138    HD3  ARG  13           HD1      ARG  13  -1.098   0.750  -4.659
  139    HE   ARG  13           HE       ARG  13  -3.627   1.337  -5.844
  140   HH11  ARG  13          HH11      ARG  13  -0.420   0.030  -6.517
  141   HH12  ARG  13          HH12      ARG  13  -0.919  -0.828  -7.895
  142   HH21  ARG  13          HH21      ARG  13  -4.300   0.151  -7.693
  143   HH22  ARG  13          HH22      ARG  13  -3.179  -0.762  -8.599
  144    H    LEU  14           HN       LEU  14  -3.610  -0.025  -0.059
  145    HA   LEU  14           HA       LEU  14  -5.728  -1.856  -0.511
  146    HB2  LEU  14           HB2      LEU  14  -3.649  -2.532   0.592
  147    HB3  LEU  14           HB1      LEU  14  -3.974  -1.442   1.919
  148    HG   LEU  14           HG       LEU  14  -5.915  -2.821   2.564
  149   HD11  LEU  14          HD11      LEU  14  -6.243  -5.024   1.558
  150   HD12  LEU  14          HD12      LEU  14  -5.016  -4.654   0.347
  151   HD13  LEU  14          HD13      LEU  14  -6.518  -3.728   0.396
  152   HD21  LEU  14          HD21      LEU  14  -3.742  -3.241   3.580
  153   HD22  LEU  14          HD22      LEU  14  -3.343  -4.366   2.280
  154   HD23  LEU  14          HD23      LEU  14  -4.654  -4.739   3.397
  155    H    ALA  15           HN       ALA  15  -5.305   0.922   1.545
  156    HA   ALA  15           HA       ALA  15  -7.699   0.681   3.020
  157    HB1  ALA  15           HB1      ALA  15  -7.392   3.048   3.557
  158    HB2  ALA  15           HB2      ALA  15  -6.188   3.190   2.274
  159    HB3  ALA  15           HB3      ALA  15  -5.860   2.182   3.684
  160    H    ALA  16           HN       ALA  16  -6.918   2.482   0.072
  161    HA   ALA  16           HA       ALA  16  -9.510   3.515  -0.341
  162    HB1  ALA  16           HB1      ALA  16  -8.745   4.081  -2.578
  163    HB2  ALA  16           HB2      ALA  16  -7.343   3.030  -2.365
  164    HB3  ALA  16           HB3      ALA  16  -7.525   4.469  -1.364
  165    H    ALA  17           HN       ALA  17  -8.022   0.504  -1.276
  166    HA   ALA  17           HA       ALA  17  -9.962  -0.327  -3.157
  167    HB1  ALA  17           HB1      ALA  17  -8.202  -2.031  -1.400
  168    HB2  ALA  17           HB2      ALA  17  -7.749  -1.354  -2.960
  169    HB3  ALA  17           HB3      ALA  17  -9.035  -2.556  -2.864
  170    H    PHE  18           HN       PHE  18  -9.892  -0.292   0.278
  171    HA   PHE  18           HA       PHE  18 -12.037  -2.188   0.590
  172    HB2  PHE  18           HB2      PHE  18 -10.106  -1.854   2.213
  173    HB3  PHE  18           HB1      PHE  18 -10.870  -0.343   2.681
  174    HD1  PHE  18           HD1      PHE  18 -11.749  -3.942   2.271
  175    HD2  PHE  18           HD2      PHE  18 -12.190  -0.392   4.558
  176    HE1  PHE  18           HE1      PHE  18 -13.068  -5.187   3.931
  177    HE2  PHE  18           HE2      PHE  18 -13.518  -1.632   6.225
  178    HZ   PHE  18           HZ       PHE  18 -13.958  -4.024   5.912
  179    H    LYS  19           HN       LYS  19 -11.697   1.121  -0.025
  180    HA   LYS  19           HA       LYS  19 -14.377   1.809   0.871
  181    HB2  LYS  19           HB2      LYS  19 -12.049   3.397  -0.176
  182    HB3  LYS  19           HB1      LYS  19 -13.660   4.064  -0.309
  183    HG2  LYS  19           HG2      LYS  19 -12.533   4.931   1.652
  184    HG3  LYS  19           HG1      LYS  19 -13.913   3.939   2.113
  185    HD2  LYS  19           HD2      LYS  19 -12.392   2.081   2.608
  186    HD3  LYS  19           HD1      LYS  19 -11.021   3.097   2.166
  187    HE2  LYS  19           HE2      LYS  19 -11.370   3.011   4.601
  188    HE3  LYS  19           HE1      LYS  19 -11.535   4.639   3.953
  189    HZ1  LYS  19           HZ1      LYS  19 -13.793   2.824   4.571
  190    HZ2  LYS  19           HZ2      LYS  19 -13.938   4.441   4.093
  191    HZ3  LYS  19           HZ3      LYS  19 -13.264   4.055   5.581
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1  14.080   5.272   0.237
    2    H3   PRO   1           HT2      PRO   1  14.913   5.211   1.610
    3    HA   PRO   1           HA       PRO   1  14.644   3.053   0.726
    4    HB2  PRO   1           HB2      PRO   1  12.721   2.289   2.553
    5    HB3  PRO   1           HB1      PRO   1  14.445   2.495   2.906
    6    HG2  PRO   1           HG2      PRO   1  12.185   4.400   3.351
    7    HG3  PRO   1           HG1      PRO   1  13.597   4.091   4.372
    8    HD2  PRO   1           HD2      PRO   1  13.489   6.289   2.883
    9    HD3  PRO   1           HD1      PRO   1  14.981   5.396   3.107
   10    H    MET   2           HN       MET   2  13.762   2.736  -1.223
   11    HA   MET   2           HA       MET   2  11.149   3.448  -1.974
   12    HB2  MET   2           HB2      MET   2  13.071   3.195  -3.537
   13    HB3  MET   2           HB1      MET   2  12.987   1.457  -3.311
   14    HG2  MET   2           HG2      MET   2  11.907   2.087  -5.380
   15    HG3  MET   2           HG1      MET   2  10.718   1.452  -4.245
   16    HE1  MET   2           HE1      MET   2   8.687   4.177  -6.209
   17    HE2  MET   2           HE2      MET   2   8.759   2.482  -5.723
   18    HE3  MET   2           HE3      MET   2   9.947   3.127  -6.857
   19    H    LYS   3           HN       LYS   3  12.540   0.490  -0.726
   20    HA   LYS   3           HA       LYS   3  10.465  -1.324  -1.227
   21    HB2  LYS   3           HB2      LYS   3  12.215  -1.137   1.220
   22    HB3  LYS   3           HB1      LYS   3  11.254  -2.540   0.787
   23    HG2  LYS   3           HG2      LYS   3  12.595  -2.860  -1.213
   24    HG3  LYS   3           HG1      LYS   3  13.543  -1.426  -0.834
   25    HD2  LYS   3           HD2      LYS   3  13.364  -3.943   0.836
   26    HD3  LYS   3           HD1      LYS   3  14.730  -3.466  -0.171
   27    HE2  LYS   3           HE2      LYS   3  15.016  -1.442   1.233
   28    HE3  LYS   3           HE1      LYS   3  13.689  -1.985   2.251
   29    HZ1  LYS   3           HZ1      LYS   3  14.968  -3.975   2.748
   30    HZ2  LYS   3           HZ2      LYS   3  15.726  -2.571   3.260
   31    HZ3  LYS   3           HZ3      LYS   3  16.276  -3.374   1.862
   32    H    LEU   4           HN       LEU   4  10.985   0.829   1.507
   33    HA   LEU   4           HA       LEU   4   8.597   0.063   2.853
   34    HB2  LEU   4           HB2      LEU   4  10.398   2.436   3.305
   35    HB3  LEU   4           HB1      LEU   4   9.130   1.907   4.390
   36    HG   LEU   4           HG       LEU   4  11.616   0.335   3.708
   37   HD11  LEU   4          HD11      LEU   4  10.829   1.752   6.241
   38   HD12  LEU   4          HD12      LEU   4  12.065   2.278   5.098
   39   HD13  LEU   4          HD13      LEU   4  12.278   0.776   5.993
   40   HD21  LEU   4          HD21      LEU   4   9.738  -1.151   4.166
   41   HD22  LEU   4          HD22      LEU   4   9.379  -0.265   5.647
   42   HD23  LEU   4          HD23      LEU   4  10.882  -1.176   5.509
   43    H    LEU   5           HN       LEU   5   9.473   2.531   0.579
   44    HA   LEU   5           HA       LEU   5   7.184   4.157   0.869
   45    HB2  LEU   5           HB2      LEU   5   9.335   4.803  -0.258
   46    HB3  LEU   5           HB1      LEU   5   8.953   3.704  -1.554
   47    HG   LEU   5           HG       LEU   5   8.643   6.143  -2.061
   48   HD11  LEU   5          HD11      LEU   5   7.557   4.500  -3.450
   49   HD12  LEU   5          HD12      LEU   5   6.538   5.926  -3.249
   50   HD13  LEU   5          HD13      LEU   5   6.182   4.452  -2.346
   51   HD21  LEU   5          HD21      LEU   5   6.634   7.267  -1.239
   52   HD22  LEU   5          HD22      LEU   5   7.745   6.868   0.071
   53   HD23  LEU   5          HD23      LEU   5   6.296   5.895  -0.186
   54    H    LYS   6           HN       LYS   6   7.926   1.351  -1.139
   55    HA   LYS   6           HA       LYS   6   5.383   1.311  -2.434
   56    HB2  LYS   6           HB2      LYS   6   7.452  -0.842  -2.113
   57    HB3  LYS   6           HB1      LYS   6   6.036  -0.981  -3.143
   58    HG2  LYS   6           HG2      LYS   6   6.829   0.901  -4.497
   59    HG3  LYS   6           HG1      LYS   6   8.250   1.041  -3.460
   60    HD2  LYS   6           HD2      LYS   6   7.512  -1.370  -5.120
   61    HD3  LYS   6           HD1      LYS   6   8.739  -0.178  -5.536
   62    HE2  LYS   6           HE2      LYS   6  10.011  -0.770  -3.531
   63    HE3  LYS   6           HE1      LYS   6   8.771  -1.932  -3.076
   64    HZ1  LYS   6           HZ1      LYS   6   9.233  -3.202  -5.008
   65    HZ2  LYS   6           HZ2      LYS   6  10.684  -2.949  -4.155
   66    HZ3  LYS   6           HZ3      LYS   6  10.357  -2.068  -5.557
   67    H    ARG   7           HN       ARG   7   6.730  -0.195   0.421
   68    HA   ARG   7           HA       ARG   7   4.567  -1.905   0.981
   69    HB2  ARG   7           HB2      ARG   7   6.796  -2.136   2.018
   70    HB3  ARG   7           HB1      ARG   7   6.554  -0.621   2.865
   71    HG2  ARG   7           HG2      ARG   7   6.230  -2.549   4.329
   72    HG3  ARG   7           HG1      ARG   7   4.758  -1.594   4.170
   73    HD2  ARG   7           HD2      ARG   7   4.324  -4.012   4.082
   74    HD3  ARG   7           HD1      ARG   7   3.850  -3.202   2.594
   75    HE   ARG   7           HE       ARG   7   6.367  -4.049   2.074
   76   HH11  ARG   7          HH11      ARG   7   3.479  -5.713   3.252
   77   HH12  ARG   7          HH12      ARG   7   3.839  -7.210   2.545
   78   HH21  ARG   7          HH21      ARG   7   6.910  -6.049   1.099
   79   HH22  ARG   7          HH22      ARG   7   5.888  -7.412   1.246
   80    H    LEU   8           HN       LEU   8   5.294   1.411   1.946
   81    HA   LEU   8           HA       LEU   8   3.026   1.821   3.583
   82    HB2  LEU   8           HB2      LEU   8   5.048   3.279   3.550
   83    HB3  LEU   8           HB1      LEU   8   4.592   3.834   1.957
   84    HG   LEU   8           HG       LEU   8   2.515   4.798   2.945
   85   HD11  LEU   8          HD11      LEU   8   3.832   4.082   5.558
   86   HD12  LEU   8          HD12      LEU   8   2.336   3.398   4.921
   87   HD13  LEU   8          HD13      LEU   8   2.407   5.102   5.366
   88   HD21  LEU   8          HD21      LEU   8   3.637   6.713   3.982
   89   HD22  LEU   8          HD22      LEU   8   4.470   6.186   2.521
   90   HD23  LEU   8          HD23      LEU   8   5.124   5.772   4.106
   91    H    GLY   9           HN       GLY   9   3.714   2.389   0.181
   92    HA2  GLY   9           HA2      GLY   9   1.260   3.525  -0.569
   93    HA3  GLY   9           HA1      GLY   9   2.393   2.706  -1.638
   94    H    LYS  10           HN       LYS  10   2.308   0.200  -0.284
   95    HA   LYS  10           HA       LYS  10   0.183  -1.086  -1.568
   96    HB2  LYS  10           HB2      LYS  10   2.286  -2.191  -0.839
   97    HB3  LYS  10           HB1      LYS  10   1.759  -2.043   0.827
   98    HG2  LYS  10           HG2      LYS  10  -0.134  -3.489   0.376
   99    HG3  LYS  10           HG1      LYS  10   0.348  -3.636  -1.309
  100    HD2  LYS  10           HD2      LYS  10   2.548  -4.547  -0.482
  101    HD3  LYS  10           HD1      LYS  10   1.833  -4.601   1.131
  102    HE2  LYS  10           HE2      LYS  10   1.637  -6.773   0.103
  103    HE3  LYS  10           HE1      LYS  10   0.034  -6.050   0.239
  104    HZ1  LYS  10           HZ1      LYS  10   0.164  -5.422  -2.105
  105    HZ2  LYS  10           HZ2      LYS  10   0.364  -7.075  -1.924
  106    HZ3  LYS  10           HZ3      LYS  10   1.704  -6.092  -2.220
  107    H    LYS  11           HN       LYS  11   0.624  -0.100   1.767
  108    HA   LYS  11           HA       LYS  11  -1.819  -1.083   2.748
  109    HB2  LYS  11           HB2      LYS  11  -0.092   1.177   3.721
  110    HB3  LYS  11           HB1      LYS  11  -1.456   0.519   4.621
  111    HG2  LYS  11           HG2      LYS  11  -0.317  -1.652   4.697
  112    HG3  LYS  11           HG1      LYS  11   1.048  -0.949   3.828
  113    HD2  LYS  11           HD2      LYS  11   1.413   0.627   5.633
  114    HD3  LYS  11           HD1      LYS  11   0.009  -0.000   6.494
  115    HE2  LYS  11           HE2      LYS  11   1.095  -2.190   6.632
  116    HE3  LYS  11           HE1      LYS  11   2.510  -1.535   5.812
  117    HZ1  LYS  11           HZ1      LYS  11   2.799  -1.587   8.204
  118    HZ2  LYS  11           HZ2      LYS  11   1.448  -0.607   8.418
  119    HZ3  LYS  11           HZ3      LYS  11   2.810   0.001   7.644
  120    H    ILE  12           HN       ILE  12  -0.885   1.964   1.298
  121    HA   ILE  12           HA       ILE  12  -3.357   3.289   1.659
  122    HB   ILE  12           HB       ILE  12  -1.286   3.739  -0.528
  123   HG12  ILE  12          HG12      ILE  12  -1.621   5.157   2.131
  124   HG13  ILE  12          HG11      ILE  12  -0.377   3.968   1.769
  125   HG21  ILE  12          HG21      ILE  12  -3.450   4.742  -1.085
  126   HG22  ILE  12          HG22      ILE  12  -2.267   5.995  -0.713
  127   HG23  ILE  12          HG23      ILE  12  -3.489   5.555   0.480
  128   HD11  ILE  12          HD11      ILE  12  -0.700   6.646   0.430
  129   HD12  ILE  12          HD12      ILE  12   0.556   5.464   0.074
  130   HD13  ILE  12          HD13      ILE  12   0.495   6.235   1.660
  131    H    ARG  13           HN       ARG  13  -2.035   1.263  -0.906
  132    HA   ARG  13           HA       ARG  13  -4.078   1.404  -2.804
  133    HB2  ARG  13           HB2      ARG  13  -2.334  -0.940  -2.055
  134    HB3  ARG  13           HB1      ARG  13  -3.392  -0.957  -3.452
  135    HG2  ARG  13           HG2      ARG  13  -1.044   0.894  -3.015
  136    HG3  ARG  13           HG1      ARG  13  -1.024  -0.564  -4.000
  137    HD2  ARG  13           HD2      ARG  13  -1.280   1.262  -5.488
  138    HD3  ARG  13           HD1      ARG  13  -2.856   0.485  -5.376
  139    HE   ARG  13           HE       ARG  13  -2.229   2.806  -3.725
  140   HH11  ARG  13          HH11      ARG  13  -4.169   1.375  -6.342
  141   HH12  ARG  13          HH12      ARG  13  -5.271   2.670  -6.395
  142   HH21  ARG  13          HH21      ARG  13  -3.739   4.604  -3.877
  143   HH22  ARG  13          HH22      ARG  13  -5.043   4.493  -4.977
  144    H    LEU  14           HN       LEU  14  -3.763  -0.857  -0.081
  145    HA   LEU  14           HA       LEU  14  -6.247  -2.105  -0.553
  146    HB2  LEU  14           HB2      LEU  14  -4.438  -2.048   1.833
  147    HB3  LEU  14           HB1      LEU  14  -6.034  -2.734   1.985
  148    HG   LEU  14           HG       LEU  14  -4.488  -4.515   1.664
  149   HD11  LEU  14          HD11      LEU  14  -5.323  -5.600  -0.326
  150   HD12  LEU  14          HD12      LEU  14  -5.957  -4.072  -0.912
  151   HD13  LEU  14          HD13      LEU  14  -6.610  -4.786   0.564
  152   HD21  LEU  14          HD21      LEU  14  -3.555  -3.137  -0.852
  153   HD22  LEU  14          HD22      LEU  14  -3.050  -4.738  -0.307
  154   HD23  LEU  14          HD23      LEU  14  -2.633  -3.310   0.641
  155    H    ALA  15           HN       ALA  15  -5.373   0.612   1.475
  156    HA   ALA  15           HA       ALA  15  -7.895   0.899   2.717
  157    HB1  ALA  15           HB1      ALA  15  -7.107   3.104   3.399
  158    HB2  ALA  15           HB2      ALA  15  -5.779   3.000   2.246
  159    HB3  ALA  15           HB3      ALA  15  -5.839   1.898   3.621
  160    H    ALA  16           HN       ALA  16  -6.490   2.276  -0.198
  161    HA   ALA  16           HA       ALA  16  -8.445   4.151  -0.816
  162    HB1  ALA  16           HB1      ALA  16  -7.559   4.093  -3.076
  163    HB2  ALA  16           HB2      ALA  16  -6.707   2.592  -2.716
  164    HB3  ALA  16           HB3      ALA  16  -6.254   4.085  -1.889
  165    H    ALA  17           HN       ALA  17  -8.274   0.745  -1.535
  166    HA   ALA  17           HA       ALA  17 -10.628   0.768  -3.170
  167    HB1  ALA  17           HB1      ALA  17  -8.906  -0.932  -3.480
  168    HB2  ALA  17           HB2      ALA  17 -10.444  -1.689  -3.056
  169    HB3  ALA  17           HB3      ALA  17  -9.175  -1.518  -1.843
  170    H    PHE  18           HN       PHE  18  -9.874   0.326   0.172
  171    HA   PHE  18           HA       PHE  18 -12.279  -0.978   0.935
  172    HB2  PHE  18           HB2      PHE  18 -10.174  -1.252   2.175
  173    HB3  PHE  18           HB1      PHE  18 -10.237   0.439   2.648
  174    HD1  PHE  18           HD1      PHE  18 -11.652  -2.884   3.161
  175    HD2  PHE  18           HD2      PHE  18 -11.785   1.196   4.357
  176    HE1  PHE  18           HE1      PHE  18 -12.961  -3.506   5.143
  177    HE2  PHE  18           HE2      PHE  18 -13.092   0.574   6.339
  178    HZ   PHE  18           HZ       PHE  18 -13.685  -1.778   6.734
  179    H    LYS  19           HN       LYS  19 -11.223   2.448   1.042
  180    HA   LYS  19           HA       LYS  19 -13.265   3.314   2.700
  181    HB2  LYS  19           HB2      LYS  19 -12.588   5.571   1.799
  182    HB3  LYS  19           HB1      LYS  19 -11.335   4.596   2.553
  183    HG2  LYS  19           HG2      LYS  19 -10.685   3.835   0.234
  184    HG3  LYS  19           HG1      LYS  19 -11.774   5.075  -0.371
  185    HD2  LYS  19           HD2      LYS  19  -9.474   5.562   1.486
  186    HD3  LYS  19           HD1      LYS  19  -9.434   5.720  -0.270
  187    HE2  LYS  19           HE2      LYS  19 -11.288   7.245   1.548
  188    HE3  LYS  19           HE1      LYS  19  -9.740   7.834   0.944
  189    HZ1  LYS  19           HZ1      LYS  19 -11.656   8.610  -0.373
  190    HZ2  LYS  19           HZ2      LYS  19 -12.008   7.025  -0.817
  191    HZ3  LYS  19           HZ3      LYS  19 -10.551   7.738  -1.280
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1  15.552   4.012   0.237
    2    H3   PRO   1           HT2      PRO   1  14.031   3.443   0.911
    3    HA   PRO   1           HA       PRO   1  14.800   3.449  -1.929
    4    HB2  PRO   1           HB2      PRO   1  14.423   0.866  -0.581
    5    HB3  PRO   1           HB1      PRO   1  15.661   1.366  -1.741
    6    HG2  PRO   1           HG2      PRO   1  16.223   1.076   0.872
    7    HG3  PRO   1           HG1      PRO   1  16.995   2.310  -0.140
    8    HD2  PRO   1           HD2      PRO   1  14.850   2.543   1.870
    9    HD3  PRO   1           HD1      PRO   1  16.150   3.666   1.582
   10    H    MET   2           HN       MET   2  13.344   1.612  -2.930
   11    HA   MET   2           HA       MET   2  10.736   2.725  -2.675
   12    HB2  MET   2           HB2      MET   2  11.831   0.627  -4.523
   13    HB3  MET   2           HB1      MET   2  10.176   1.214  -4.579
   14    HG2  MET   2           HG2      MET   2  10.964   3.455  -5.042
   15    HG3  MET   2           HG1      MET   2  12.634   2.912  -4.927
   16    HE1  MET   2           HE1      MET   2  13.152   3.984  -7.233
   17    HE2  MET   2           HE2      MET   2  11.483   4.532  -7.402
   18    HE3  MET   2           HE3      MET   2  12.263   3.651  -8.718
   19    H    LYS   3           HN       LYS   3  12.243  -0.125  -1.480
   20    HA   LYS   3           HA       LYS   3  10.095  -1.866  -1.289
   21    HB2  LYS   3           HB2      LYS   3  12.430  -1.516   0.571
   22    HB3  LYS   3           HB1      LYS   3  11.224  -2.770   0.818
   23    HG2  LYS   3           HG2      LYS   3  11.753  -3.722  -1.368
   24    HG3  LYS   3           HG1      LYS   3  12.942  -2.452  -1.638
   25    HD2  LYS   3           HD2      LYS   3  13.055  -4.433   0.637
   26    HD3  LYS   3           HD1      LYS   3  13.917  -4.623  -0.886
   27    HE2  LYS   3           HE2      LYS   3  15.121  -2.535  -0.461
   28    HE3  LYS   3           HE1      LYS   3  14.257  -2.339   1.057
   29    HZ1  LYS   3           HZ1      LYS   3  16.043  -4.619   0.416
   30    HZ2  LYS   3           HZ2      LYS   3  15.295  -4.336   1.889
   31    HZ3  LYS   3           HZ3      LYS   3  16.481  -3.285   1.331
   32    H    LEU   4           HN       LEU   4  11.082   0.310   1.354
   33    HA   LEU   4           HA       LEU   4   8.637  -0.210   2.750
   34    HB2  LEU   4           HB2      LEU   4  10.808   1.798   3.269
   35    HB3  LEU   4           HB1      LEU   4   9.414   1.599   4.302
   36    HG   LEU   4           HG       LEU   4  11.489  -0.529   3.765
   37   HD11  LEU   4          HD11      LEU   4  12.376   1.307   5.091
   38   HD12  LEU   4          HD12      LEU   4  12.158  -0.137   6.080
   39   HD13  LEU   4          HD13      LEU   4  11.004   1.192   6.191
   40   HD21  LEU   4          HD21      LEU   4   9.132  -0.459   5.645
   41   HD22  LEU   4          HD22      LEU   4  10.380  -1.700   5.620
   42   HD23  LEU   4          HD23      LEU   4   9.315  -1.502   4.233
   43    H    LEU   5           HN       LEU   5   9.672   2.121   0.470
   44    HA   LEU   5           HA       LEU   5   7.709   4.105   0.966
   45    HB2  LEU   5           HB2      LEU   5   9.671   4.545  -0.414
   46    HB3  LEU   5           HB1      LEU   5   9.150   3.327  -1.557
   47    HG   LEU   5           HG       LEU   5   7.199   4.712  -2.140
   48   HD11  LEU   5          HD11      LEU   5   6.940   5.942  -0.061
   49   HD12  LEU   5          HD12      LEU   5   7.092   7.035  -1.433
   50   HD13  LEU   5          HD13      LEU   5   8.464   6.782  -0.355
   51   HD21  LEU   5          HD21      LEU   5   8.445   6.419  -3.374
   52   HD22  LEU   5          HD22      LEU   5   9.215   4.835  -3.471
   53   HD23  LEU   5          HD23      LEU   5   9.871   6.071  -2.396
   54    H    LYS   6           HN       LYS   6   7.856   1.359  -1.238
   55    HA   LYS   6           HA       LYS   6   5.236   1.732  -2.251
   56    HB2  LYS   6           HB2      LYS   6   7.061   0.637  -3.511
   57    HB3  LYS   6           HB1      LYS   6   7.041  -0.679  -2.351
   58    HG2  LYS   6           HG2      LYS   6   4.853  -1.349  -3.059
   59    HG3  LYS   6           HG1      LYS   6   4.716   0.087  -4.076
   60    HD2  LYS   6           HD2      LYS   6   5.248  -1.871  -5.430
   61    HD3  LYS   6           HD1      LYS   6   6.563  -0.701  -5.463
   62    HE2  LYS   6           HE2      LYS   6   7.757  -2.043  -3.761
   63    HE3  LYS   6           HE1      LYS   6   6.449  -3.227  -3.811
   64    HZ1  LYS   6           HZ1      LYS   6   8.267  -3.929  -5.206
   65    HZ2  LYS   6           HZ2      LYS   6   8.237  -2.483  -6.060
   66    HZ3  LYS   6           HZ3      LYS   6   6.953  -3.540  -6.188
   67    H    ARG   7           HN       ARG   7   6.637  -0.033   0.398
   68    HA   ARG   7           HA       ARG   7   4.317  -1.612   0.928
   69    HB2  ARG   7           HB2      ARG   7   6.717  -2.085   1.659
   70    HB3  ARG   7           HB1      ARG   7   6.476  -0.867   2.897
   71    HG2  ARG   7           HG2      ARG   7   4.690  -2.188   3.884
   72    HG3  ARG   7           HG1      ARG   7   4.866  -3.397   2.608
   73    HD2  ARG   7           HD2      ARG   7   6.930  -2.634   4.673
   74    HD3  ARG   7           HD1      ARG   7   6.037  -4.152   4.586
   75    HE   ARG   7           HE       ARG   7   7.264  -4.021   2.192
   76   HH11  ARG   7          HH11      ARG   7   8.409  -4.014   5.521
   77   HH12  ARG   7          HH12      ARG   7  10.007  -4.468   5.119
   78   HH21  ARG   7          HH21      ARG   7   9.423  -4.589   1.631
   79   HH22  ARG   7          HH22      ARG   7  10.623  -4.754   2.842
   80    H    LEU   8           HN       LEU   8   5.434   1.564   1.868
   81    HA   LEU   8           HA       LEU   8   3.467   2.089   3.856
   82    HB2  LEU   8           HB2      LEU   8   5.504   3.457   3.623
   83    HB3  LEU   8           HB1      LEU   8   4.990   3.962   2.033
   84    HG   LEU   8           HG       LEU   8   3.072   5.152   3.055
   85   HD11  LEU   8          HD11      LEU   8   3.048   5.548   5.464
   86   HD12  LEU   8          HD12      LEU   8   4.381   4.412   5.665
   87   HD13  LEU   8          HD13      LEU   8   2.815   3.843   5.082
   88   HD21  LEU   8          HD21      LEU   8   5.128   6.343   2.536
   89   HD22  LEU   8          HD22      LEU   8   5.787   5.923   4.118
   90   HD23  LEU   8          HD23      LEU   8   4.387   6.990   3.999
   91    H    GLY   9           HN       GLY   9   3.760   2.810   0.412
   92    HA2  GLY   9           HA2      GLY   9   1.234   4.012   0.106
   93    HA3  GLY   9           HA1      GLY   9   2.226   3.358  -1.187
   94    H    LYS  10           HN       LYS  10   2.295   0.709  -0.004
   95    HA   LYS  10           HA       LYS  10   0.169  -0.579  -1.178
   96    HB2  LYS  10           HB2      LYS  10   2.236  -1.697  -0.553
   97    HB3  LYS  10           HB1      LYS  10   1.894  -1.442   1.145
   98    HG2  LYS  10           HG2      LYS  10  -0.005  -2.969   0.999
   99    HG3  LYS  10           HG1      LYS  10   0.317  -3.202  -0.722
  100    HD2  LYS  10           HD2      LYS  10   2.482  -4.156  -0.238
  101    HD3  LYS  10           HD1      LYS  10   2.289  -3.818   1.479
  102    HE2  LYS  10           HE2      LYS  10   1.865  -6.163   1.010
  103    HE3  LYS  10           HE1      LYS  10   0.402  -5.363   1.568
  104    HZ1  LYS  10           HZ1      LYS  10  -0.009  -6.840  -0.294
  105    HZ2  LYS  10           HZ2      LYS  10   1.046  -5.972  -1.273
  106    HZ3  LYS  10           HZ3      LYS  10  -0.380  -5.256  -0.708
  107    H    LYS  11           HN       LYS  11   0.508   0.440   2.233
  108    HA   LYS  11           HA       LYS  11  -1.953  -0.637   3.103
  109    HB2  LYS  11           HB2      LYS  11  -0.423   1.720   4.184
  110    HB3  LYS  11           HB1      LYS  11  -1.647   0.795   5.049
  111    HG2  LYS  11           HG2      LYS  11  -0.237  -1.175   4.951
  112    HG3  LYS  11           HG1      LYS  11   0.976  -0.265   4.050
  113    HD2  LYS  11           HD2      LYS  11   1.187   1.272   5.960
  114    HD3  LYS  11           HD1      LYS  11   0.037   0.272   6.853
  115    HE2  LYS  11           HE2      LYS  11   2.303  -0.259   7.466
  116    HE3  LYS  11           HE1      LYS  11   1.554  -1.641   6.658
  117    HZ1  LYS  11           HZ1      LYS  11   3.456   0.303   5.470
  118    HZ2  LYS  11           HZ2      LYS  11   2.746  -0.978   4.621
  119    HZ3  LYS  11           HZ3      LYS  11   3.806  -1.279   5.894
  120    H    ILE  12           HN       ILE  12  -1.036   2.405   1.667
  121    HA   ILE  12           HA       ILE  12  -3.474   3.806   2.097
  122    HB   ILE  12           HB       ILE  12  -1.441   4.198  -0.129
  123   HG12  ILE  12          HG12      ILE  12  -1.588   5.526   2.595
  124   HG13  ILE  12          HG11      ILE  12  -0.403   4.326   2.105
  125   HG21  ILE  12          HG21      ILE  12  -3.555   5.313  -0.601
  126   HG22  ILE  12          HG22      ILE  12  -2.309   6.505  -0.229
  127   HG23  ILE  12          HG23      ILE  12  -3.522   6.090   0.982
  128   HD11  ILE  12          HD11      ILE  12  -0.721   7.088   0.951
  129   HD12  ILE  12          HD12      ILE  12   0.454   5.894   0.413
  130   HD13  ILE  12          HD13      ILE  12   0.550   6.550   2.049
  131    H    ARG  13           HN       ARG  13  -2.120   2.050  -0.620
  132    HA   ARG  13           HA       ARG  13  -4.304   2.266  -2.369
  133    HB2  ARG  13           HB2      ARG  13  -2.080   0.243  -2.224
  134    HB3  ARG  13           HB1      ARG  13  -3.235   0.343  -3.545
  135    HG2  ARG  13           HG2      ARG  13  -2.477   2.553  -4.105
  136    HG3  ARG  13           HG1      ARG  13  -1.406   2.572  -2.704
  137    HD2  ARG  13           HD2      ARG  13  -0.206   2.100  -4.788
  138    HD3  ARG  13           HD1      ARG  13  -0.107   0.763  -3.644
  139    HE   ARG  13           HE       ARG  13  -2.019  -0.187  -5.011
  140   HH11  ARG  13          HH11      ARG  13   0.544   1.816  -6.449
  141   HH12  ARG  13          HH12      ARG  13   0.466   1.057  -7.957
  142   HH21  ARG  13          HH21      ARG  13  -2.071  -1.252  -7.046
  143   HH22  ARG  13          HH22      ARG  13  -1.065  -0.740  -8.323
  144    H    LEU  14           HN       LEU  14  -3.433  -0.191  -0.006
  145    HA   LEU  14           HA       LEU  14  -5.414  -2.063  -0.580
  146    HB2  LEU  14           HB2      LEU  14  -3.504  -2.479   0.919
  147    HB3  LEU  14           HB1      LEU  14  -4.176  -1.363   2.086
  148    HG   LEU  14           HG       LEU  14  -6.119  -2.884   2.368
  149   HD11  LEU  14          HD11      LEU  14  -5.957  -5.181   1.527
  150   HD12  LEU  14          HD12      LEU  14  -4.516  -4.738   0.614
  151   HD13  LEU  14          HD13      LEU  14  -6.071  -4.007   0.217
  152   HD21  LEU  14          HD21      LEU  14  -4.915  -4.577   3.660
  153   HD22  LEU  14          HD22      LEU  14  -4.237  -2.967   3.911
  154   HD23  LEU  14          HD23      LEU  14  -3.411  -4.119   2.860
  155    H    ALA  15           HN       ALA  15  -5.408   0.569   1.822
  156    HA   ALA  15           HA       ALA  15  -8.058   0.188   2.654
  157    HB1  ALA  15           HB1      ALA  15  -6.422   1.469   3.959
  158    HB2  ALA  15           HB2      ALA  15  -7.889   2.405   3.661
  159    HB3  ALA  15           HB3      ALA  15  -6.431   2.724   2.722
  160    H    ALA  16           HN       ALA  16  -6.660   2.299   0.196
  161    HA   ALA  16           HA       ALA  16  -8.965   3.696  -0.530
  162    HB1  ALA  16           HB1      ALA  16  -6.696   4.335  -1.205
  163    HB2  ALA  16           HB2      ALA  16  -7.803   4.255  -2.577
  164    HB3  ALA  16           HB3      ALA  16  -6.647   2.954  -2.300
  165    H    ALA  17           HN       ALA  17  -7.960   0.482  -1.329
  166    HA   ALA  17           HA       ALA  17  -9.661   0.197  -3.607
  167    HB1  ALA  17           HB1      ALA  17  -7.642  -1.130  -3.357
  168    HB2  ALA  17           HB2      ALA  17  -9.067  -2.166  -3.480
  169    HB3  ALA  17           HB3      ALA  17  -8.310  -1.880  -1.911
  170    H    PHE  18           HN       PHE  18 -10.076  -0.180  -0.120
  171    HA   PHE  18           HA       PHE  18 -12.454  -1.667  -0.381
  172    HB2  PHE  18           HB2      PHE  18 -10.895  -0.392   1.818
  173    HB3  PHE  18           HB1      PHE  18 -12.496  -1.033   2.096
  174    HD1  PHE  18           HD1      PHE  18 -12.872  -3.508   1.644
  175    HD2  PHE  18           HD2      PHE  18  -8.996  -1.773   1.767
  176    HE1  PHE  18           HE1      PHE  18 -11.886  -5.734   1.986
  177    HE2  PHE  18           HE2      PHE  18  -8.008  -3.995   2.105
  178    HZ   PHE  18           HZ       PHE  18  -9.456  -5.983   2.212
  179    H    LYS  19           HN       LYS  19 -11.528   1.629  -0.546
  180    HA   LYS  19           HA       LYS  19 -14.058   2.658   0.392
  181    HB2  LYS  19           HB2      LYS  19 -11.927   4.253  -1.022
  182    HB3  LYS  19           HB1      LYS  19 -13.124   4.816   0.127
  183    HG2  LYS  19           HG2      LYS  19 -10.669   3.170   0.704
  184    HG3  LYS  19           HG1      LYS  19 -10.961   4.844   1.162
  185    HD2  LYS  19           HD2      LYS  19 -12.573   2.491   2.141
  186    HD3  LYS  19           HD1      LYS  19 -11.201   3.172   3.003
  187    HE2  LYS  19           HE2      LYS  19 -12.377   5.305   3.175
  188    HE3  LYS  19           HE1      LYS  19 -13.740   4.632   2.277
  189    HZ1  LYS  19           HZ1      LYS  19 -14.039   3.019   4.033
  190    HZ2  LYS  19           HZ2      LYS  19 -14.171   4.586   4.625
  191    HZ3  LYS  19           HZ3      LYS  19 -12.767   3.699   4.924
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1  14.229   6.219   0.767
    2    H3   PRO   1           HT2      PRO   1  12.572   6.150   0.230
    3    HA   PRO   1           HA       PRO   1  14.477   3.957  -0.219
    4    HB2  PRO   1           HB2      PRO   1  12.727   3.242   1.913
    5    HB3  PRO   1           HB1      PRO   1  14.491   3.363   1.957
    6    HG2  PRO   1           HG2      PRO   1  12.779   5.073   3.297
    7    HG3  PRO   1           HG1      PRO   1  14.446   5.462   2.861
    8    HD2  PRO   1           HD2      PRO   1  11.897   6.242   1.571
    9    HD3  PRO   1           HD1      PRO   1  13.361   7.203   1.758
   10    H    MET   2           HN       MET   2  13.493   3.122  -1.990
   11    HA   MET   2           HA       MET   2  10.760   3.668  -2.506
   12    HB2  MET   2           HB2      MET   2  11.016   2.539  -4.597
   13    HB3  MET   2           HB1      MET   2  12.451   3.503  -4.317
   14    HG2  MET   2           HG2      MET   2  12.233   0.519  -3.922
   15    HG3  MET   2           HG1      MET   2  12.941   1.310  -5.323
   16    HE1  MET   2           HE1      MET   2  15.243   2.572  -5.310
   17    HE2  MET   2           HE2      MET   2  16.196   2.885  -3.863
   18    HE3  MET   2           HE3      MET   2  14.638   3.683  -4.080
   19    H    LYS   3           HN       LYS   3  12.433   0.859  -1.286
   20    HA   LYS   3           HA       LYS   3  10.296  -0.959  -1.691
   21    HB2  LYS   3           HB2      LYS   3  12.587  -1.096   0.268
   22    HB3  LYS   3           HB1      LYS   3  11.567  -2.432  -0.242
   23    HG2  LYS   3           HG2      LYS   3  12.386  -2.333  -2.467
   24    HG3  LYS   3           HG1      LYS   3  13.256  -0.837  -2.138
   25    HD2  LYS   3           HD2      LYS   3  14.678  -2.027  -0.550
   26    HD3  LYS   3           HD1      LYS   3  13.803  -3.521  -0.893
   27    HE2  LYS   3           HE2      LYS   3  15.897  -3.388  -2.116
   28    HE3  LYS   3           HE1      LYS   3  14.514  -3.434  -3.212
   29    HZ1  LYS   3           HZ1      LYS   3  16.056  -1.003  -2.443
   30    HZ2  LYS   3           HZ2      LYS   3  14.748  -1.023  -3.512
   31    HZ3  LYS   3           HZ3      LYS   3  16.167  -1.806  -3.914
   32    H    LEU   4           HN       LEU   4  11.229   1.163   0.918
   33    HA   LEU   4           HA       LEU   4   9.264   0.131   2.729
   34    HB2  LEU   4           HB2      LEU   4  10.811   2.721   2.834
   35    HB3  LEU   4           HB1      LEU   4   9.836   2.072   4.137
   36    HG   LEU   4           HG       LEU   4  12.334   0.800   3.015
   37   HD11  LEU   4          HD11      LEU   4  11.830   2.168   5.637
   38   HD12  LEU   4          HD12      LEU   4  12.796   2.799   4.303
   39   HD13  LEU   4          HD13      LEU   4  13.322   1.353   5.167
   40   HD21  LEU   4          HD21      LEU   4  10.772  -0.900   3.798
   41   HD22  LEU   4          HD22      LEU   4  10.576  -0.040   5.324
   42   HD23  LEU   4          HD23      LEU   4  12.132  -0.758   4.910
   43    H    LEU   5           HN       LEU   5   9.394   2.652   0.328
   44    HA   LEU   5           HA       LEU   5   6.879   3.767   1.043
   45    HB2  LEU   5           HB2      LEU   5   8.404   3.894  -1.556
   46    HB3  LEU   5           HB1      LEU   5   6.940   4.796  -1.227
   47    HG   LEU   5           HG       LEU   5   9.584   5.126   0.192
   48   HD11  LEU   5          HD11      LEU   5   8.118   6.904  -1.735
   49   HD12  LEU   5          HD12      LEU   5   9.576   5.976  -2.072
   50   HD13  LEU   5          HD13      LEU   5   9.623   7.297  -0.904
   51   HD21  LEU   5          HD21      LEU   5   7.732   5.558   1.724
   52   HD22  LEU   5          HD22      LEU   5   6.980   6.619   0.536
   53   HD23  LEU   5          HD23      LEU   5   8.519   7.069   1.268
   54    H    LYS   6           HN       LYS   6   7.916   1.071  -0.886
   55    HA   LYS   6           HA       LYS   6   5.395   0.616  -2.080
   56    HB2  LYS   6           HB2      LYS   6   7.714  -1.250  -1.589
   57    HB3  LYS   6           HB1      LYS   6   6.247  -1.745  -2.419
   58    HG2  LYS   6           HG2      LYS   6   8.117   0.443  -3.312
   59    HG3  LYS   6           HG1      LYS   6   8.030  -1.187  -3.984
   60    HD2  LYS   6           HD2      LYS   6   5.713  -0.787  -4.667
   61    HD3  LYS   6           HD1      LYS   6   5.788   0.839  -3.993
   62    HE2  LYS   6           HE2      LYS   6   7.552   1.423  -5.557
   63    HE3  LYS   6           HE1      LYS   6   7.508  -0.207  -6.226
   64    HZ1  LYS   6           HZ1      LYS   6   5.236   0.190  -6.961
   65    HZ2  LYS   6           HZ2      LYS   6   6.264   1.390  -7.553
   66    HZ3  LYS   6           HZ3      LYS   6   5.255   1.727  -6.268
   67    H    ARG   7           HN       ARG   7   6.706  -0.126   1.020
   68    HA   ARG   7           HA       ARG   7   4.560  -1.901   1.723
   69    HB2  ARG   7           HB2      ARG   7   6.548  -0.423   3.462
   70    HB3  ARG   7           HB1      ARG   7   5.365  -1.566   4.080
   71    HG2  ARG   7           HG2      ARG   7   7.584  -2.195   2.136
   72    HG3  ARG   7           HG1      ARG   7   7.564  -2.593   3.854
   73    HD2  ARG   7           HD2      ARG   7   5.633  -3.633   1.768
   74    HD3  ARG   7           HD1      ARG   7   6.954  -4.535   2.500
   75    HE   ARG   7           HE       ARG   7   5.505  -3.708   4.618
   76   HH11  ARG   7          HH11      ARG   7   4.585  -5.521   1.701
   77   HH12  ARG   7          HH12      ARG   7   3.372  -6.423   2.490
   78   HH21  ARG   7          HH21      ARG   7   3.869  -4.901   5.658
   79   HH22  ARG   7          HH22      ARG   7   2.949  -6.067   4.822
   80    H    LEU   8           HN       LEU   8   5.260   1.488   2.092
   81    HA   LEU   8           HA       LEU   8   2.972   2.245   3.544
   82    HB2  LEU   8           HB2      LEU   8   4.849   3.762   3.263
   83    HB3  LEU   8           HB1      LEU   8   4.640   3.752   1.527
   84    HG   LEU   8           HG       LEU   8   2.494   4.938   1.787
   85   HD11  LEU   8          HD11      LEU   8   1.927   5.950   3.946
   86   HD12  LEU   8          HD12      LEU   8   3.206   4.999   4.711
   87   HD13  LEU   8          HD13      LEU   8   1.828   4.193   3.960
   88   HD21  LEU   8          HD21      LEU   8   4.851   6.274   3.110
   89   HD22  LEU   8          HD22      LEU   8   3.441   7.099   2.447
   90   HD23  LEU   8          HD23      LEU   8   4.523   6.204   1.379
   91    H    GLY   9           HN       GLY   9   3.636   2.293   0.063
   92    HA2  GLY   9           HA2      GLY   9   1.127   3.046  -0.833
   93    HA3  GLY   9           HA1      GLY   9   2.294   2.099  -1.752
   94    H    LYS  10           HN       LYS  10   2.400  -0.121  -0.084
   95    HA   LYS  10           HA       LYS  10   0.447  -1.809  -1.051
   96    HB2  LYS  10           HB2      LYS  10   2.630  -2.465  -0.058
   97    HB3  LYS  10           HB1      LYS  10   2.022  -2.065   1.525
   98    HG2  LYS  10           HG2      LYS  10   0.837  -4.235  -0.204
   99    HG3  LYS  10           HG1      LYS  10   2.153  -4.514   0.924
  100    HD2  LYS  10           HD2      LYS  10  -0.620  -3.534   1.626
  101    HD3  LYS  10           HD1      LYS  10  -0.007  -5.167   1.860
  102    HE2  LYS  10           HE2      LYS  10   1.735  -4.209   3.394
  103    HE3  LYS  10           HE1      LYS  10   0.938  -2.648   3.232
  104    HZ1  LYS  10           HZ1      LYS  10   0.176  -3.756   5.226
  105    HZ2  LYS  10           HZ2      LYS  10  -0.230  -5.118   4.355
  106    HZ3  LYS  10           HZ3      LYS  10  -1.118  -3.722   4.133
  107    H    LYS  11           HN       LYS  11   0.515  -0.153   2.110
  108    HA   LYS  11           HA       LYS  11  -2.010  -1.329   2.810
  109    HB2  LYS  11           HB2      LYS  11  -1.882  -0.087   4.904
  110    HB3  LYS  11           HB1      LYS  11  -0.371  -0.910   4.578
  111    HG2  LYS  11           HG2      LYS  11   0.619   1.205   3.853
  112    HG3  LYS  11           HG1      LYS  11  -0.910   2.024   4.176
  113    HD2  LYS  11           HD2      LYS  11  -0.756   1.312   6.534
  114    HD3  LYS  11           HD1      LYS  11   0.801   0.572   6.171
  115    HE2  LYS  11           HE2      LYS  11   1.703   2.753   5.551
  116    HE3  LYS  11           HE1      LYS  11   0.144   3.500   5.892
  117    HZ1  LYS  11           HZ1      LYS  11   1.714   3.750   7.732
  118    HZ2  LYS  11           HZ2      LYS  11   1.820   2.074   7.882
  119    HZ3  LYS  11           HZ3      LYS  11   0.362   2.843   8.190
  120    H    ILE  12           HN       ILE  12  -0.923   1.758   1.564
  121    HA   ILE  12           HA       ILE  12  -3.379   3.113   1.907
  122    HB   ILE  12           HB       ILE  12  -1.184   3.610  -0.136
  123   HG12  ILE  12          HG12      ILE  12  -0.348   3.823   2.148
  124   HG13  ILE  12          HG11      ILE  12  -0.436   5.404   1.387
  125   HG21  ILE  12          HG21      ILE  12  -3.441   5.426   0.706
  126   HG22  ILE  12          HG22      ILE  12  -3.257   4.645  -0.865
  127   HG23  ILE  12          HG23      ILE  12  -2.103   5.876  -0.350
  128   HD11  ILE  12          HD11      ILE  12  -2.384   4.280   3.399
  129   HD12  ILE  12          HD12      ILE  12  -2.520   5.853   2.616
  130   HD13  ILE  12          HD13      ILE  12  -1.163   5.520   3.691
  131    H    ARG  13           HN       ARG  13  -2.040   1.163  -0.679
  132    HA   ARG  13           HA       ARG  13  -3.986   1.385  -2.613
  133    HB2  ARG  13           HB2      ARG  13  -2.294  -0.965  -1.798
  134    HB3  ARG  13           HB1      ARG  13  -3.401  -1.055  -3.156
  135    HG2  ARG  13           HG2      ARG  13  -2.179   0.562  -4.375
  136    HG3  ARG  13           HG1      ARG  13  -1.249   1.028  -2.949
  137    HD2  ARG  13           HD2      ARG  13   0.044  -0.381  -4.510
  138    HD3  ARG  13           HD1      ARG  13  -0.135  -1.116  -2.923
  139    HE   ARG  13           HE       ARG  13  -2.150  -1.924  -4.760
  140   HH11  ARG  13          HH11      ARG  13   1.209  -2.609  -3.770
  141   HH12  ARG  13          HH12      ARG  13   1.190  -4.207  -4.321
  142   HH21  ARG  13          HH21      ARG  13  -2.167  -4.170  -5.476
  143   HH22  ARG  13          HH22      ARG  13  -0.775  -5.117  -5.313
  144    H    LEU  14           HN       LEU  14  -3.920  -0.753   0.185
  145    HA   LEU  14           HA       LEU  14  -6.370  -2.063  -0.367
  146    HB2  LEU  14           HB2      LEU  14  -4.682  -3.021   1.134
  147    HB3  LEU  14           HB1      LEU  14  -4.911  -1.695   2.252
  148    HG   LEU  14           HG       LEU  14  -7.228  -2.469   2.660
  149   HD11  LEU  14          HD11      LEU  14  -6.435  -4.806   0.935
  150   HD12  LEU  14          HD12      LEU  14  -7.659  -3.591   0.562
  151   HD13  LEU  14          HD13      LEU  14  -7.898  -4.696   1.914
  152   HD21  LEU  14          HD21      LEU  14  -5.092  -4.544   3.110
  153   HD22  LEU  14          HD22      LEU  14  -6.628  -4.435   3.970
  154   HD23  LEU  14          HD23      LEU  14  -5.430  -3.155   4.145
  155    H    ALA  15           HN       ALA  15  -5.515   0.692   1.665
  156    HA   ALA  15           HA       ALA  15  -8.065   1.105   2.796
  157    HB1  ALA  15           HB1      ALA  15  -5.848   3.108   2.366
  158    HB2  ALA  15           HB2      ALA  15  -6.003   2.031   3.754
  159    HB3  ALA  15           HB3      ALA  15  -7.208   3.288   3.475
  160    H    ALA  16           HN       ALA  16  -6.520   2.411  -0.075
  161    HA   ALA  16           HA       ALA  16  -8.660   4.175  -0.741
  162    HB1  ALA  16           HB1      ALA  16  -6.375   3.188  -2.444
  163    HB2  ALA  16           HB2      ALA  16  -6.323   4.591  -1.382
  164    HB3  ALA  16           HB3      ALA  16  -7.394   4.589  -2.779
  165    H    ALA  17           HN       ALA  17  -7.910   0.860  -1.419
  166    HA   ALA  17           HA       ALA  17  -9.809   0.633  -3.570
  167    HB1  ALA  17           HB1      ALA  17  -8.439  -1.544  -1.993
  168    HB2  ALA  17           HB2      ALA  17  -7.822  -0.809  -3.472
  169    HB3  ALA  17           HB3      ALA  17  -9.315  -1.746  -3.511
  170    H    PHE  18           HN       PHE  18  -9.814   0.390  -0.180
  171    HA   PHE  18           HA       PHE  18 -12.110  -1.201   0.205
  172    HB2  PHE  18           HB2      PHE  18 -10.464  -0.858   1.965
  173    HB3  PHE  18           HB1      PHE  18 -10.804   0.866   1.983
  174    HD1  PHE  18           HD1      PHE  18 -12.342   1.703   3.507
  175    HD2  PHE  18           HD2      PHE  18 -12.444  -2.420   2.476
  176    HE1  PHE  18           HE1      PHE  18 -14.070   1.323   5.206
  177    HE2  PHE  18           HE2      PHE  18 -14.168  -2.801   4.169
  178    HZ   PHE  18           HZ       PHE  18 -14.986  -0.928   5.538
  179    H    LYS  19           HN       LYS  19 -11.632   2.262  -0.180
  180    HA   LYS  19           HA       LYS  19 -14.279   3.020   0.432
  181    HB2  LYS  19           HB2      LYS  19 -12.227   4.471  -1.228
  182    HB3  LYS  19           HB1      LYS  19 -13.637   5.188  -0.459
  183    HG2  LYS  19           HG2      LYS  19 -11.252   3.964   0.930
  184    HG3  LYS  19           HG1      LYS  19 -11.642   5.680   0.825
  185    HD2  LYS  19           HD2      LYS  19 -13.424   3.625   2.128
  186    HD3  LYS  19           HD1      LYS  19 -12.212   4.561   2.981
  187    HE2  LYS  19           HE2      LYS  19 -13.350   6.620   2.477
  188    HE3  LYS  19           HE1      LYS  19 -14.438   5.814   1.354
  189    HZ1  LYS  19           HZ1      LYS  19 -14.373   5.352   4.296
  190    HZ2  LYS  19           HZ2      LYS  19 -15.450   4.657   3.187
  191    HZ3  LYS  19           HZ3      LYS  19 -15.490   6.301   3.465
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1  13.824   5.711   0.897
    2    H3   PRO   1           HT2      PRO   1  15.113   5.608   1.831
    3    HA   PRO   1           HA       PRO   1  15.188   3.774   0.416
    4    HB2  PRO   1           HB2      PRO   1  13.920   2.051   2.284
    5    HB3  PRO   1           HB1      PRO   1  15.647   2.379   2.140
    6    HG2  PRO   1           HG2      PRO   1  13.647   3.557   3.973
    7    HG3  PRO   1           HG1      PRO   1  15.397   3.389   4.183
    8    HD2  PRO   1           HD2      PRO   1  14.296   5.770   3.739
    9    HD3  PRO   1           HD1      PRO   1  15.867   5.313   3.075
   10    H    MET   2           HN       MET   2  14.104   2.971  -1.243
   11    HA   MET   2           HA       MET   2  11.466   3.482  -1.834
   12    HB2  MET   2           HB2      MET   2  13.252   1.320  -2.953
   13    HB3  MET   2           HB1      MET   2  11.712   1.792  -3.645
   14    HG2  MET   2           HG2      MET   2  13.412   2.829  -4.917
   15    HG3  MET   2           HG1      MET   2  12.645   4.081  -3.943
   16    HE1  MET   2           HE1      MET   2  15.285   4.640  -5.420
   17    HE2  MET   2           HE2      MET   2  16.291   5.381  -4.182
   18    HE3  MET   2           HE3      MET   2  14.587   5.810  -4.302
   19    H    LYS   3           HN       LYS   3  12.862   0.687  -0.312
   20    HA   LYS   3           HA       LYS   3  10.733  -1.081  -0.546
   21    HB2  LYS   3           HB2      LYS   3  11.699  -2.244   1.440
   22    HB3  LYS   3           HB1      LYS   3  12.845  -1.912   0.153
   23    HG2  LYS   3           HG2      LYS   3  13.626   0.063   1.452
   24    HG3  LYS   3           HG1      LYS   3  12.564  -0.444   2.765
   25    HD2  LYS   3           HD2      LYS   3  13.745  -2.549   2.954
   26    HD3  LYS   3           HD1      LYS   3  14.755  -2.138   1.571
   27    HE2  LYS   3           HE2      LYS   3  15.640  -0.210   2.819
   28    HE3  LYS   3           HE1      LYS   3  14.672  -0.674   4.210
   29    HZ1  LYS   3           HZ1      LYS   3  16.974  -1.467   4.404
   30    HZ2  LYS   3           HZ2      LYS   3  16.820  -2.328   2.985
   31    HZ3  LYS   3           HZ3      LYS   3  15.920  -2.767   4.315
   32    H    LEU   4           HN       LEU   4  11.042   1.606   1.658
   33    HA   LEU   4           HA       LEU   4   8.864   0.670   3.309
   34    HB2  LEU   4           HB2      LEU   4  10.305   3.323   3.306
   35    HB3  LEU   4           HB1      LEU   4   9.094   2.848   4.476
   36    HG   LEU   4           HG       LEU   4  11.812   1.579   4.111
   37   HD11  LEU   4          HD11      LEU   4  10.675   3.233   6.353
   38   HD12  LEU   4          HD12      LEU   4  11.892   3.757   5.193
   39   HD13  LEU   4          HD13      LEU   4  12.263   2.468   6.339
   40   HD21  LEU   4          HD21      LEU   4  11.241   0.268   6.120
   41   HD22  LEU   4          HD22      LEU   4  10.198  -0.117   4.757
   42   HD23  LEU   4          HD23      LEU   4   9.602   0.916   6.060
   43    H    LEU   5           HN       LEU   5   9.385   3.009   0.761
   44    HA   LEU   5           HA       LEU   5   6.771   4.124   0.787
   45    HB2  LEU   5           HB2      LEU   5   8.847   3.962  -1.408
   46    HB3  LEU   5           HB1      LEU   5   7.301   4.731  -1.643
   47    HG   LEU   5           HG       LEU   5   7.924   6.364   0.168
   48   HD11  LEU   5          HD11      LEU   5  10.655   5.140  -0.107
   49   HD12  LEU   5          HD12      LEU   5   9.618   5.070   1.317
   50   HD13  LEU   5          HD13      LEU   5  10.260   6.620   0.768
   51   HD21  LEU   5          HD21      LEU   5   8.096   6.948  -2.170
   52   HD22  LEU   5          HD22      LEU   5   9.705   6.233  -2.252
   53   HD23  LEU   5          HD23      LEU   5   9.427   7.665  -1.261
   54    H    LYS   6           HN       LYS   6   8.269   1.434  -0.789
   55    HA   LYS   6           HA       LYS   6   6.162   0.615  -2.446
   56    HB2  LYS   6           HB2      LYS   6   8.500  -0.152  -2.620
   57    HB3  LYS   6           HB1      LYS   6   8.320  -1.028  -1.110
   58    HG2  LYS   6           HG2      LYS   6   6.605  -2.442  -2.156
   59    HG3  LYS   6           HG1      LYS   6   6.840  -1.571  -3.669
   60    HD2  LYS   6           HD2      LYS   6   8.974  -3.136  -2.219
   61    HD3  LYS   6           HD1      LYS   6   8.063  -3.712  -3.610
   62    HE2  LYS   6           HE2      LYS   6   8.962  -1.779  -4.915
   63    HE3  LYS   6           HE1      LYS   6   9.955  -1.366  -3.522
   64    HZ1  LYS   6           HZ1      LYS   6  11.194  -2.666  -5.132
   65    HZ2  LYS   6           HZ2      LYS   6  10.081  -3.919  -5.019
   66    HZ3  LYS   6           HZ3      LYS   6  11.027  -3.527  -3.691
   67    H    ARG   7           HN       ARG   7   7.047  -0.185   0.876
   68    HA   ARG   7           HA       ARG   7   5.062  -2.076   1.430
   69    HB2  ARG   7           HB2      ARG   7   6.989  -1.686   2.901
   70    HB3  ARG   7           HB1      ARG   7   6.391  -0.085   3.281
   71    HG2  ARG   7           HG2      ARG   7   5.955  -1.610   5.114
   72    HG3  ARG   7           HG1      ARG   7   4.439  -1.083   4.388
   73    HD2  ARG   7           HD2      ARG   7   4.380  -3.464   4.881
   74    HD3  ARG   7           HD1      ARG   7   4.302  -3.186   3.141
   75    HE   ARG   7           HE       ARG   7   6.973  -3.568   3.805
   76   HH11  ARG   7          HH11      ARG   7   3.985  -5.440   3.795
   77   HH12  ARG   7          HH12      ARG   7   4.745  -6.954   3.623
   78   HH21  ARG   7          HH21      ARG   7   8.049  -5.659   3.559
   79   HH22  ARG   7          HH22      ARG   7   7.112  -7.064   3.500
   80    H    LEU   8           HN       LEU   8   5.073   1.443   1.694
   81    HA   LEU   8           HA       LEU   8   2.465   1.581   2.810
   82    HB2  LEU   8           HB2      LEU   8   4.112   3.372   3.108
   83    HB3  LEU   8           HB1      LEU   8   4.062   3.706   1.388
   84    HG   LEU   8           HG       LEU   8   1.688   4.363   1.607
   85   HD11  LEU   8          HD11      LEU   8   2.169   4.003   4.558
   86   HD12  LEU   8          HD12      LEU   8   1.059   3.069   3.551
   87   HD13  LEU   8          HD13      LEU   8   0.763   4.783   3.836
   88   HD21  LEU   8          HD21      LEU   8   3.619   5.815   3.397
   89   HD22  LEU   8          HD22      LEU   8   2.110   6.477   2.765
   90   HD23  LEU   8          HD23      LEU   8   3.417   6.050   1.660
   91    H    GLY   9           HN       GLY   9   3.753   1.514  -0.404
   92    HA2  GLY   9           HA2      GLY   9   1.760   2.566  -1.972
   93    HA3  GLY   9           HA1      GLY   9   2.804   1.240  -2.453
   94    H    LYS  10           HN       LYS  10   2.018  -0.842  -0.997
   95    HA   LYS  10           HA       LYS  10  -0.513  -1.369  -2.192
   96    HB2  LYS  10           HB2      LYS  10  -0.474  -3.633  -1.216
   97    HB3  LYS  10           HB1      LYS  10   0.997  -3.266  -2.081
   98    HG2  LYS  10           HG2      LYS  10   0.848  -2.982   0.907
   99    HG3  LYS  10           HG1      LYS  10   1.095  -4.558   0.168
  100    HD2  LYS  10           HD2      LYS  10   2.876  -2.144  -0.265
  101    HD3  LYS  10           HD1      LYS  10   3.194  -3.440   0.878
  102    HE2  LYS  10           HE2      LYS  10   2.937  -3.794  -2.117
  103    HE3  LYS  10           HE1      LYS  10   4.449  -3.698  -1.226
  104    HZ1  LYS  10           HZ1      LYS  10   2.371  -5.782  -0.814
  105    HZ2  LYS  10           HZ2      LYS  10   3.871  -5.738  -0.061
  106    HZ3  LYS  10           HZ3      LYS  10   3.763  -5.980  -1.722
  107    H    LYS  11           HN       LYS  11   0.484  -0.512   1.007
  108    HA   LYS  11           HA       LYS  11  -1.892  -1.220   2.348
  109    HB2  LYS  11           HB2      LYS  11   0.193   0.838   3.036
  110    HB3  LYS  11           HB1      LYS  11  -1.118   0.349   4.097
  111    HG2  LYS  11           HG2      LYS  11  -0.241  -1.925   4.153
  112    HG3  LYS  11           HG1      LYS  11   1.057  -1.456   3.054
  113    HD2  LYS  11           HD2      LYS  11   1.849  -1.504   5.373
  114    HD3  LYS  11           HD1      LYS  11   1.900   0.135   4.723
  115    HE2  LYS  11           HE2      LYS  11  -0.158   0.685   5.857
  116    HE3  LYS  11           HE1      LYS  11  -0.316  -0.973   6.446
  117    HZ1  LYS  11           HZ1      LYS  11   0.536   0.487   8.143
  118    HZ2  LYS  11           HZ2      LYS  11   1.792   0.993   7.155
  119    HZ3  LYS  11           HZ3      LYS  11   1.750  -0.602   7.704
  120    H    ILE  12           HN       ILE  12  -0.836   1.843   0.887
  121    HA   ILE  12           HA       ILE  12  -3.123   3.249   1.799
  122    HB   ILE  12           HB       ILE  12  -1.013   4.428   1.287
  123   HG12  ILE  12          HG12      ILE  12  -3.324   5.412  -0.409
  124   HG13  ILE  12          HG11      ILE  12  -3.143   5.683   1.319
  125   HG21  ILE  12          HG21      ILE  12  -1.627   3.854  -1.605
  126   HG22  ILE  12          HG22      ILE  12  -0.272   3.221  -0.675
  127   HG23  ILE  12          HG23      ILE  12  -0.368   4.948  -1.032
  128   HD11  ILE  12          HD11      ILE  12  -2.527   7.657   0.039
  129   HD12  ILE  12          HD12      ILE  12  -1.312   6.724  -0.838
  130   HD13  ILE  12          HD13      ILE  12  -1.129   7.004   0.893
  131    H    ARG  13           HN       ARG  13  -2.363   1.637  -1.209
  132    HA   ARG  13           HA       ARG  13  -4.733   2.549  -2.506
  133    HB2  ARG  13           HB2      ARG  13  -4.274   0.943  -4.282
  134    HB3  ARG  13           HB1      ARG  13  -2.803   1.781  -3.834
  135    HG2  ARG  13           HG2      ARG  13  -2.162  -0.186  -2.479
  136    HG3  ARG  13           HG1      ARG  13  -3.587  -1.026  -3.089
  137    HD2  ARG  13           HD2      ARG  13  -1.658  -1.671  -4.403
  138    HD3  ARG  13           HD1      ARG  13  -2.753  -0.695  -5.385
  139    HE   ARG  13           HE       ARG  13  -0.930   1.044  -4.263
  140   HH11  ARG  13          HH11      ARG  13  -0.861  -1.631  -6.584
  141   HH12  ARG  13          HH12      ARG  13   0.524  -1.090  -7.398
  142   HH21  ARG  13          HH21      ARG  13   0.905   1.827  -5.391
  143   HH22  ARG  13          HH22      ARG  13   1.580   0.961  -6.703
  144    H    LEU  14           HN       LEU  14  -3.980  -0.209  -0.502
  145    HA   LEU  14           HA       LEU  14  -6.419  -1.583  -0.931
  146    HB2  LEU  14           HB2      LEU  14  -4.416  -2.667  -0.006
  147    HB3  LEU  14           HB1      LEU  14  -4.512  -1.646   1.409
  148    HG   LEU  14           HG       LEU  14  -6.651  -2.732   2.021
  149   HD11  LEU  14          HD11      LEU  14  -6.061  -4.536  -0.322
  150   HD12  LEU  14          HD12      LEU  14  -7.413  -3.409  -0.185
  151   HD13  LEU  14          HD13      LEU  14  -7.312  -4.801   0.891
  152   HD21  LEU  14          HD21      LEU  14  -4.327  -4.601   1.586
  153   HD22  LEU  14          HD22      LEU  14  -5.673  -4.873   2.690
  154   HD23  LEU  14          HD23      LEU  14  -4.564  -3.530   2.969
  155    H    ALA  15           HN       ALA  15  -5.311   0.851   1.345
  156    HA   ALA  15           HA       ALA  15  -7.568   0.921   3.021
  157    HB1  ALA  15           HB1      ALA  15  -5.418   1.980   3.594
  158    HB2  ALA  15           HB2      ALA  15  -6.760   3.115   3.722
  159    HB3  ALA  15           HB3      ALA  15  -5.682   3.178   2.328
  160    H    ALA  16           HN       ALA  16  -6.750   2.673   0.082
  161    HA   ALA  16           HA       ALA  16  -9.056   4.274  -0.034
  162    HB1  ALA  16           HB1      ALA  16  -8.475   4.631  -2.382
  163    HB2  ALA  16           HB2      ALA  16  -7.339   3.283  -2.312
  164    HB3  ALA  16           HB3      ALA  16  -7.041   4.736  -1.359
  165    H    ALA  17           HN       ALA  17  -8.342   1.069  -1.327
  166    HA   ALA  17           HA       ALA  17 -10.773   0.754  -2.739
  167    HB1  ALA  17           HB1      ALA  17  -8.791  -0.605  -3.210
  168    HB2  ALA  17           HB2      ALA  17 -10.193  -1.614  -2.860
  169    HB3  ALA  17           HB3      ALA  17  -8.948  -1.377  -1.634
  170    H    PHE  18           HN       PHE  18  -9.850   0.259   0.549
  171    HA   PHE  18           HA       PHE  18 -11.989  -1.382   1.375
  172    HB2  PHE  18           HB2      PHE  18  -9.839  -1.126   2.599
  173    HB3  PHE  18           HB1      PHE  18 -10.291   0.515   3.019
  174    HD1  PHE  18           HD1      PHE  18 -11.416   0.913   5.026
  175    HD2  PHE  18           HD2      PHE  18 -11.413  -3.010   3.379
  176    HE1  PHE  18           HE1      PHE  18 -12.499   0.056   7.058
  177    HE2  PHE  18           HE2      PHE  18 -12.496  -3.860   5.409
  178    HZ   PHE  18           HZ       PHE  18 -13.040  -2.329   7.251
  179    H    LYS  19           HN       LYS  19 -11.721   2.073   0.895
  180    HA   LYS  19           HA       LYS  19 -14.309   2.468   2.178
  181    HB2  LYS  19           HB2      LYS  19 -12.164   4.402   1.316
  182    HB3  LYS  19           HB1      LYS  19 -13.807   4.947   1.584
  183    HG2  LYS  19           HG2      LYS  19 -12.519   5.407   3.541
  184    HG3  LYS  19           HG1      LYS  19 -13.651   4.118   3.917
  185    HD2  LYS  19           HD2      LYS  19 -11.837   2.480   3.615
  186    HD3  LYS  19           HD1      LYS  19 -10.716   3.801   3.295
  187    HE2  LYS  19           HE2      LYS  19 -12.264   3.374   5.855
  188    HE3  LYS  19           HE1      LYS  19 -10.553   3.034   5.606
  189    HZ1  LYS  19           HZ1      LYS  19 -10.885   5.166   6.714
  190    HZ2  LYS  19           HZ2      LYS  19 -11.819   5.716   5.444
  191    HZ3  LYS  19           HZ3      LYS  19 -10.190   5.392   5.202
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1  13.490   6.127  -1.467
    2    H3   PRO   1           HT2      PRO   1  13.431   6.820   0.016
    3    HA   PRO   1           HA       PRO   1  14.250   4.482  -0.092
    4    HB2  PRO   1           HB2      PRO   1  11.857   4.023   1.454
    5    HB3  PRO   1           HB1      PRO   1  13.510   4.291   2.024
    6    HG2  PRO   1           HG2      PRO   1  11.504   6.118   2.366
    7    HG3  PRO   1           HG1      PRO   1  13.212   6.557   2.243
    8    HD2  PRO   1           HD2      PRO   1  11.039   6.714   0.241
    9    HD3  PRO   1           HD1      PRO   1  12.345   7.852   0.508
   10    H    MET   2           HN       MET   2  14.036   2.607  -1.234
   11    HA   MET   2           HA       MET   2  11.920   2.375  -3.093
   12    HB2  MET   2           HB2      MET   2  14.108   0.432  -2.377
   13    HB3  MET   2           HB1      MET   2  12.908   0.108  -3.608
   14    HG2  MET   2           HG2      MET   2  14.895   0.838  -4.681
   15    HG3  MET   2           HG1      MET   2  13.709   2.127  -4.826
   16    HE1  MET   2           HE1      MET   2  15.652   3.781  -5.558
   17    HE2  MET   2           HE2      MET   2  16.824   2.473  -5.396
   18    HE3  MET   2           HE3      MET   2  17.126   4.029  -4.622
   19    H    LYS   3           HN       LYS   3  12.621   0.508  -0.137
   20    HA   LYS   3           HA       LYS   3  10.503  -1.321  -0.778
   21    HB2  LYS   3           HB2      LYS   3  12.180  -1.062   1.691
   22    HB3  LYS   3           HB1      LYS   3  11.015  -2.347   1.405
   23    HG2  LYS   3           HG2      LYS   3  12.312  -3.076  -0.528
   24    HG3  LYS   3           HG1      LYS   3  13.476  -1.780  -0.229
   25    HD2  LYS   3           HD2      LYS   3  13.976  -2.717   1.962
   26    HD3  LYS   3           HD1      LYS   3  12.787  -3.992   1.698
   27    HE2  LYS   3           HE2      LYS   3  14.078  -4.790  -0.215
   28    HE3  LYS   3           HE1      LYS   3  15.270  -3.521   0.062
   29    HZ1  LYS   3           HZ1      LYS   3  14.591  -5.682   1.975
   30    HZ2  LYS   3           HZ2      LYS   3  15.785  -4.493   2.194
   31    HZ3  LYS   3           HZ3      LYS   3  15.943  -5.641   0.972
   32    H    LEU   4           HN       LEU   4  10.979   0.790   2.059
   33    HA   LEU   4           HA       LEU   4   8.434   0.222   3.041
   34    HB2  LEU   4           HB2      LEU   4   8.656   2.144   4.596
   35    HB3  LEU   4           HB1      LEU   4   9.962   0.990   4.655
   36    HG   LEU   4           HG       LEU   4  10.330   3.467   3.011
   37   HD11  LEU   4          HD11      LEU   4   9.400   4.203   5.195
   38   HD12  LEU   4          HD12      LEU   4  11.083   4.657   4.974
   39   HD13  LEU   4          HD13      LEU   4  10.673   3.289   6.010
   40   HD21  LEU   4          HD21      LEU   4  12.016   1.685   3.025
   41   HD22  LEU   4          HD22      LEU   4  12.130   1.818   4.778
   42   HD23  LEU   4          HD23      LEU   4  12.618   3.169   3.755
   43    H    LEU   5           HN       LEU   5   9.340   2.704   0.784
   44    HA   LEU   5           HA       LEU   5   6.948   4.207   1.093
   45    HB2  LEU   5           HB2      LEU   5   8.923   5.142  -0.020
   46    HB3  LEU   5           HB1      LEU   5   8.743   3.981  -1.320
   47    HG   LEU   5           HG       LEU   5   6.506   5.008  -1.817
   48   HD11  LEU   5          HD11      LEU   5   6.053   7.247  -0.989
   49   HD12  LEU   5          HD12      LEU   5   7.474   7.152   0.047
   50   HD13  LEU   5          HD13      LEU   5   6.105   6.075   0.330
   51   HD21  LEU   5          HD21      LEU   5   8.905   6.806  -2.021
   52   HD22  LEU   5          HD22      LEU   5   7.436   6.923  -2.990
   53   HD23  LEU   5          HD23      LEU   5   8.482   5.511  -3.141
   54    H    LYS   6           HN       LYS   6   7.847   1.448  -0.905
   55    HA   LYS   6           HA       LYS   6   5.387   1.543  -2.379
   56    HB2  LYS   6           HB2      LYS   6   7.492  -0.618  -2.255
   57    HB3  LYS   6           HB1      LYS   6   6.150  -0.577  -3.387
   58    HG2  LYS   6           HG2      LYS   6   8.408   1.413  -3.230
   59    HG3  LYS   6           HG1      LYS   6   8.216   0.151  -4.441
   60    HD2  LYS   6           HD2      LYS   6   6.164   1.221  -5.233
   61    HD3  LYS   6           HD1      LYS   6   6.338   2.475  -4.002
   62    HE2  LYS   6           HE2      LYS   6   8.462   3.150  -4.973
   63    HE3  LYS   6           HE1      LYS   6   8.321   1.886  -6.190
   64    HZ1  LYS   6           HZ1      LYS   6   6.349   2.984  -7.044
   65    HZ2  LYS   6           HZ2      LYS   6   7.656   4.053  -7.037
   66    HZ3  LYS   6           HZ3      LYS   6   6.469   4.176  -5.862
   67    H    ARG   7           HN       ARG   7   6.640  -0.138   0.404
   68    HA   ARG   7           HA       ARG   7   4.452  -1.934   0.660
   69    HB2  ARG   7           HB2      ARG   7   6.239  -0.836   2.845
   70    HB3  ARG   7           HB1      ARG   7   5.179  -2.227   2.992
   71    HG2  ARG   7           HG2      ARG   7   6.509  -3.357   1.231
   72    HG3  ARG   7           HG1      ARG   7   7.614  -1.984   1.253
   73    HD2  ARG   7           HD2      ARG   7   8.497  -3.739   2.629
   74    HD3  ARG   7           HD1      ARG   7   8.013  -2.389   3.656
   75    HE   ARG   7           HE       ARG   7   5.887  -4.191   3.416
   76   HH11  ARG   7          HH11      ARG   7   9.037  -3.987   4.988
   77   HH12  ARG   7          HH12      ARG   7   8.675  -5.145   6.184
   78   HH21  ARG   7          HH21      ARG   7   5.375  -5.744   5.041
   79   HH22  ARG   7          HH22      ARG   7   6.519  -6.185   6.214
   80    H    LEU   8           HN       LEU   8   5.161   1.265   1.991
   81    HA   LEU   8           HA       LEU   8   2.820   1.687   3.432
   82    HB2  LEU   8           HB2      LEU   8   4.756   3.179   3.514
   83    HB3  LEU   8           HB1      LEU   8   4.494   3.633   1.846
   84    HG   LEU   8           HG       LEU   8   2.313   4.638   2.532
   85   HD11  LEU   8          HD11      LEU   8   1.932   3.388   4.569
   86   HD12  LEU   8          HD12      LEU   8   1.952   5.121   4.896
   87   HD13  LEU   8          HD13      LEU   8   3.351   4.130   5.310
   88   HD21  LEU   8          HD21      LEU   8   4.310   5.991   2.204
   89   HD22  LEU   8          HD22      LEU   8   4.775   5.714   3.884
   90   HD23  LEU   8          HD23      LEU   8   3.311   6.624   3.511
   91    H    GLY   9           HN       GLY   9   3.621   2.315   0.053
   92    HA2  GLY   9           HA2      GLY   9   1.209   3.435  -0.799
   93    HA3  GLY   9           HA1      GLY   9   2.350   2.580  -1.826
   94    H    LYS  10           HN       LYS  10   2.192   0.073  -0.553
   95    HA   LYS  10           HA       LYS  10  -0.007  -1.117  -1.810
   96    HB2  LYS  10           HB2      LYS  10   2.118  -2.267  -1.226
   97    HB3  LYS  10           HB1      LYS  10   1.686  -2.168   0.470
   98    HG2  LYS  10           HG2      LYS  10  -0.247  -3.619   0.049
   99    HG3  LYS  10           HG1      LYS  10   0.220  -3.725  -1.651
  100    HD2  LYS  10           HD2      LYS  10   2.366  -4.710  -0.997
  101    HD3  LYS  10           HD1      LYS  10   1.894  -4.619   0.701
  102    HE2  LYS  10           HE2      LYS  10  -0.019  -6.112   0.193
  103    HE3  LYS  10           HE1      LYS  10   0.562  -6.243  -1.463
  104    HZ1  LYS  10           HZ1      LYS  10   2.096  -7.060   0.940
  105    HZ2  LYS  10           HZ2      LYS  10   2.569  -7.289  -0.666
  106    HZ3  LYS  10           HZ3      LYS  10   1.238  -8.101  -0.051
  107    H    LYS  11           HN       LYS  11   0.545  -0.093   1.519
  108    HA   LYS  11           HA       LYS  11  -1.966  -1.029   2.523
  109    HB2  LYS  11           HB2      LYS  11  -0.080   1.058   3.640
  110    HB3  LYS  11           HB1      LYS  11  -1.447   0.375   4.503
  111    HG2  LYS  11           HG2      LYS  11   0.959  -1.166   3.540
  112    HG3  LYS  11           HG1      LYS  11   0.689  -0.611   5.191
  113    HD2  LYS  11           HD2      LYS  11  -1.353  -1.988   5.296
  114    HD3  LYS  11           HD1      LYS  11  -1.033  -2.573   3.662
  115    HE2  LYS  11           HE2      LYS  11   1.088  -3.526   4.425
  116    HE3  LYS  11           HE1      LYS  11   0.764  -2.947   6.056
  117    HZ1  LYS  11           HZ1      LYS  11   0.172  -5.280   5.834
  118    HZ2  LYS  11           HZ2      LYS  11  -0.852  -4.938   4.559
  119    HZ3  LYS  11           HZ3      LYS  11  -1.228  -4.383   6.086
  120    H    ILE  12           HN       ILE  12  -0.774   2.024   1.287
  121    HA   ILE  12           HA       ILE  12  -2.995   3.662   1.836
  122    HB   ILE  12           HB       ILE  12  -1.063   3.836  -0.495
  123   HG12  ILE  12          HG12      ILE  12   0.100   3.993   1.644
  124   HG13  ILE  12          HG11      ILE  12   0.110   5.546   0.826
  125   HG21  ILE  12          HG21      ILE  12  -1.703   6.178  -0.710
  126   HG22  ILE  12          HG22      ILE  12  -2.916   5.965   0.551
  127   HG23  ILE  12          HG23      ILE  12  -3.073   5.101  -0.978
  128   HD11  ILE  12          HD11      ILE  12  -1.673   4.760   3.124
  129   HD12  ILE  12          HD12      ILE  12  -1.675   6.321   2.303
  130   HD13  ILE  12          HD13      ILE  12  -0.252   5.803   3.204
  131    H    ARG  13           HN       ARG  13  -2.209   1.791  -1.078
  132    HA   ARG  13           HA       ARG  13  -4.628   2.488  -2.383
  133    HB2  ARG  13           HB2      ARG  13  -4.081   0.766  -4.049
  134    HB3  ARG  13           HB1      ARG  13  -2.705   1.796  -3.705
  135    HG2  ARG  13           HG2      ARG  13  -1.688   0.069  -2.390
  136    HG3  ARG  13           HG1      ARG  13  -3.118  -0.952  -2.560
  137    HD2  ARG  13           HD2      ARG  13  -1.367  -0.007  -4.830
  138    HD3  ARG  13           HD1      ARG  13  -1.307  -1.613  -4.102
  139    HE   ARG  13           HE       ARG  13  -3.925  -0.944  -4.972
  140   HH11  ARG  13          HH11      ARG  13  -0.811  -1.966  -6.289
  141   HH12  ARG  13          HH12      ARG  13  -1.511  -2.918  -7.523
  142   HH21  ARG  13          HH21      ARG  13  -4.855  -2.202  -6.732
  143   HH22  ARG  13          HH22      ARG  13  -3.828  -3.039  -7.789
  144    H    LEU  14           HN       LEU  14  -3.728  -0.082  -0.230
  145    HA   LEU  14           HA       LEU  14  -5.948  -1.750  -0.619
  146    HB2  LEU  14           HB2      LEU  14  -3.950  -2.428   0.638
  147    HB3  LEU  14           HB1      LEU  14  -4.337  -1.262   1.884
  148    HG   LEU  14           HG       LEU  14  -6.422  -2.532   2.360
  149   HD11  LEU  14          HD11      LEU  14  -5.247  -4.548   0.453
  150   HD12  LEU  14          HD12      LEU  14  -6.736  -3.628   0.222
  151   HD13  LEU  14          HD13      LEU  14  -6.626  -4.820   1.516
  152   HD21  LEU  14          HD21      LEU  14  -3.842  -4.070   2.573
  153   HD22  LEU  14          HD22      LEU  14  -5.304  -4.367   3.514
  154   HD23  LEU  14          HD23      LEU  14  -4.429  -2.846   3.701
  155    H    ALA  15           HN       ALA  15  -5.379   0.938   1.607
  156    HA   ALA  15           HA       ALA  15  -7.896   0.852   2.851
  157    HB1  ALA  15           HB1      ALA  15  -7.376   3.101   3.658
  158    HB2  ALA  15           HB2      ALA  15  -6.047   3.212   2.502
  159    HB3  ALA  15           HB3      ALA  15  -5.980   2.034   3.810
  160    H    ALA  16           HN       ALA  16  -6.787   2.439  -0.064
  161    HA   ALA  16           HA       ALA  16  -9.104   4.051  -0.461
  162    HB1  ALA  16           HB1      ALA  16  -6.947   4.567  -1.509
  163    HB2  ALA  16           HB2      ALA  16  -8.232   4.418  -2.709
  164    HB3  ALA  16           HB3      ALA  16  -7.078   3.104  -2.483
  165    H    ALA  17           HN       ALA  17  -8.205   0.822  -1.407
  166    HA   ALA  17           HA       ALA  17 -10.545   0.448  -3.048
  167    HB1  ALA  17           HB1      ALA  17  -8.447  -0.665  -3.622
  168    HB2  ALA  17           HB2      ALA  17  -9.731  -1.838  -3.325
  169    HB3  ALA  17           HB3      ALA  17  -8.497  -1.550  -2.097
  170    H    PHE  18           HN       PHE  18  -9.632  -0.002   0.217
  171    HA   PHE  18           HA       PHE  18 -11.402  -2.017   1.018
  172    HB2  PHE  18           HB2      PHE  18  -9.378  -1.143   2.258
  173    HB3  PHE  18           HB1      PHE  18 -10.344   0.245   2.719
  174    HD1  PHE  18           HD1      PHE  18 -11.938   0.092   4.514
  175    HD2  PHE  18           HD2      PHE  18  -9.908  -3.376   3.106
  176    HE1  PHE  18           HE1      PHE  18 -12.688  -1.160   6.497
  177    HE2  PHE  18           HE2      PHE  18 -10.667  -4.624   5.081
  178    HZ   PHE  18           HZ       PHE  18 -12.055  -3.511   6.781
  179    H    LYS  19           HN       LYS  19 -11.758   1.474   0.812
  180    HA   LYS  19           HA       LYS  19 -14.392   1.414   1.981
  181    HB2  LYS  19           HB2      LYS  19 -12.737   3.623   0.781
  182    HB3  LYS  19           HB1      LYS  19 -14.431   3.870   1.150
  183    HG2  LYS  19           HG2      LYS  19 -13.105   4.766   2.926
  184    HG3  LYS  19           HG1      LYS  19 -13.935   3.329   3.517
  185    HD2  LYS  19           HD2      LYS  19 -11.891   2.036   3.253
  186    HD3  LYS  19           HD1      LYS  19 -11.066   3.451   2.604
  187    HE2  LYS  19           HE2      LYS  19 -12.221   3.183   5.375
  188    HE3  LYS  19           HE1      LYS  19 -10.513   3.103   4.948
  189    HZ1  LYS  19           HZ1      LYS  19 -12.292   5.466   4.660
  190    HZ2  LYS  19           HZ2      LYS  19 -10.689   5.413   4.140
  191    HZ3  LYS  19           HZ3      LYS  19 -11.051   5.278   5.778
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1  16.803   0.169   2.750
    2    H3   PRO   1           HT2      PRO   1  15.249   0.891   3.128
    3    HA   PRO   1           HA       PRO   1  16.091  -0.015   0.446
    4    HB2  PRO   1           HB2      PRO   1  14.045  -1.661   1.700
    5    HB3  PRO   1           HB1      PRO   1  15.537  -2.151   0.884
    6    HG2  PRO   1           HG2      PRO   1  15.225  -2.349   3.568
    7    HG3  PRO   1           HG1      PRO   1  16.795  -2.041   2.809
    8    HD2  PRO   1           HD2      PRO   1  14.919  -0.185   4.163
    9    HD3  PRO   1           HD1      PRO   1  16.670  -0.209   4.271
   10    H    MET   2           HN       MET   2  14.732   0.691  -1.041
   11    HA   MET   2           HA       MET   2  12.738   2.565  -0.268
   12    HB2  MET   2           HB2      MET   2  13.383   1.520  -3.020
   13    HB3  MET   2           HB1      MET   2  12.351   2.895  -2.668
   14    HG2  MET   2           HG2      MET   2  15.314   2.648  -2.224
   15    HG3  MET   2           HG1      MET   2  14.462   3.744  -3.312
   16    HE1  MET   2           HE1      MET   2  12.918   5.786  -2.431
   17    HE2  MET   2           HE2      MET   2  12.704   6.161  -0.719
   18    HE3  MET   2           HE3      MET   2  12.034   4.676  -1.382
   19    H    LYS   3           HN       LYS   3  12.718  -0.733  -1.069
   20    HA   LYS   3           HA       LYS   3  10.108  -1.148  -1.946
   21    HB2  LYS   3           HB2      LYS   3  11.811  -2.922  -0.202
   22    HB3  LYS   3           HB1      LYS   3  10.336  -3.440  -1.002
   23    HG2  LYS   3           HG2      LYS   3  11.359  -2.945  -3.169
   24    HG3  LYS   3           HG1      LYS   3  12.840  -2.469  -2.350
   25    HD2  LYS   3           HD2      LYS   3  13.061  -4.721  -1.426
   26    HD3  LYS   3           HD1      LYS   3  11.564  -5.196  -2.231
   27    HE2  LYS   3           HE2      LYS   3  12.561  -4.724  -4.395
   28    HE3  LYS   3           HE1      LYS   3  14.053  -4.214  -3.609
   29    HZ1  LYS   3           HZ1      LYS   3  14.198  -6.465  -4.441
   30    HZ2  LYS   3           HZ2      LYS   3  12.883  -6.936  -3.503
   31    HZ3  LYS   3           HZ3      LYS   3  14.318  -6.460  -2.762
   32    H    LEU   4           HN       LEU   4  11.298  -0.512   1.252
   33    HA   LEU   4           HA       LEU   4   8.976  -1.345   2.661
   34    HB2  LEU   4           HB2      LEU   4  11.023   0.692   3.529
   35    HB3  LEU   4           HB1      LEU   4   9.930  -0.202   4.558
   36    HG   LEU   4           HG       LEU   4  12.291  -1.303   3.045
   37   HD11  LEU   4          HD11      LEU   4  13.169  -1.768   5.262
   38   HD12  LEU   4          HD12      LEU   4  11.758  -0.991   5.981
   39   HD13  LEU   4          HD13      LEU   4  12.885  -0.046   5.008
   40   HD21  LEU   4          HD21      LEU   4  10.315  -2.766   4.801
   41   HD22  LEU   4          HD22      LEU   4  11.809  -3.443   4.152
   42   HD23  LEU   4          HD23      LEU   4  10.508  -2.971   3.059
   43    H    LEU   5           HN       LEU   5  10.023   1.635   1.157
   44    HA   LEU   5           HA       LEU   5   7.906   3.235   2.243
   45    HB2  LEU   5           HB2      LEU   5   9.851   3.772  -0.015
   46    HB3  LEU   5           HB1      LEU   5   8.647   4.921   0.514
   47    HG   LEU   5           HG       LEU   5  10.729   5.604   1.391
   48   HD11  LEU   5          HD11      LEU   5   8.903   5.933   2.897
   49   HD12  LEU   5          HD12      LEU   5  10.388   5.609   3.785
   50   HD13  LEU   5          HD13      LEU   5   9.171   4.346   3.620
   51   HD21  LEU   5          HD21      LEU   5  11.065   2.833   2.525
   52   HD22  LEU   5          HD22      LEU   5  12.101   4.211   2.893
   53   HD23  LEU   5          HD23      LEU   5  12.024   3.587   1.247
   54    H    LYS   6           HN       LYS   6   8.472   1.341  -0.606
   55    HA   LYS   6           HA       LYS   6   6.335   2.191  -2.207
   56    HB2  LYS   6           HB2      LYS   6   7.501  -0.583  -1.943
   57    HB3  LYS   6           HB1      LYS   6   6.408  -0.090  -3.217
   58    HG2  LYS   6           HG2      LYS   6   9.211   0.901  -2.742
   59    HG3  LYS   6           HG1      LYS   6   8.647  -0.151  -4.041
   60    HD2  LYS   6           HD2      LYS   6   7.123   1.752  -4.732
   61    HD3  LYS   6           HD1      LYS   6   8.030   2.759  -3.608
   62    HE2  LYS   6           HE2      LYS   6   8.968   3.059  -5.791
   63    HE3  LYS   6           HE1      LYS   6  10.114   2.141  -4.817
   64    HZ1  LYS   6           HZ1      LYS   6   8.273   1.038  -6.876
   65    HZ2  LYS   6           HZ2      LYS   6   9.231   0.098  -5.887
   66    HZ3  LYS   6           HZ3      LYS   6   9.946   1.134  -6.997
   67    H    ARG   7           HN       ARG   7   6.503  -0.046   0.437
   68    HA   ARG   7           HA       ARG   7   3.919  -1.148   0.303
   69    HB2  ARG   7           HB2      ARG   7   5.583  -0.669   2.761
   70    HB3  ARG   7           HB1      ARG   7   4.219  -1.765   2.638
   71    HG2  ARG   7           HG2      ARG   7   5.457  -3.080   0.985
   72    HG3  ARG   7           HG1      ARG   7   6.839  -1.998   1.186
   73    HD2  ARG   7           HD2      ARG   7   5.593  -3.790   3.259
   74    HD3  ARG   7           HD1      ARG   7   7.182  -3.938   2.508
   75    HE   ARG   7           HE       ARG   7   6.925  -1.446   3.788
   76   HH11  ARG   7          HH11      ARG   7   7.471  -4.875   4.451
   77   HH12  ARG   7          HH12      ARG   7   8.275  -4.620   5.921
   78   HH21  ARG   7          HH21      ARG   7   8.046  -1.079   5.853
   79   HH22  ARG   7          HH22      ARG   7   8.615  -2.412   6.722
   80    H    LEU   8           HN       LEU   8   5.095   1.872   1.586
   81    HA   LEU   8           HA       LEU   8   2.812   2.457   3.181
   82    HB2  LEU   8           HB2      LEU   8   4.825   4.345   1.954
   83    HB3  LEU   8           HB1      LEU   8   3.658   4.765   3.191
   84    HG   LEU   8           HG       LEU   8   5.969   2.848   3.519
   85   HD11  LEU   8          HD11      LEU   8   6.873   4.561   5.001
   86   HD12  LEU   8          HD12      LEU   8   5.517   5.616   4.607
   87   HD13  LEU   8          HD13      LEU   8   6.676   5.165   3.357
   88   HD21  LEU   8          HD21      LEU   8   3.926   3.827   5.516
   89   HD22  LEU   8          HD22      LEU   8   5.366   2.891   5.904
   90   HD23  LEU   8          HD23      LEU   8   4.096   2.175   4.915
   91    H    GLY   9           HN       GLY   9   3.726   2.987  -0.130
   92    HA2  GLY   9           HA2      GLY   9   1.413   4.547  -0.783
   93    HA3  GLY   9           HA1      GLY   9   2.541   3.817  -1.929
   94    H    LYS  10           HN       LYS  10   2.281   1.190  -0.755
   95    HA   LYS  10           HA       LYS  10   0.046   0.309  -2.246
   96    HB2  LYS  10           HB2      LYS  10   2.094  -1.059  -2.041
   97    HB3  LYS  10           HB1      LYS  10   1.772  -1.270  -0.325
   98    HG2  LYS  10           HG2      LYS  10  -0.264  -2.484  -0.823
   99    HG3  LYS  10           HG1      LYS  10  -0.030  -2.214  -2.546
  100    HD2  LYS  10           HD2      LYS  10   2.018  -3.535  -2.484
  101    HD3  LYS  10           HD1      LYS  10   1.824  -3.768  -0.743
  102    HE2  LYS  10           HE2      LYS  10  -0.279  -4.935  -1.119
  103    HE3  LYS  10           HE1      LYS  10  -0.139  -4.667  -2.852
  104    HZ1  LYS  10           HZ1      LYS  10   0.539  -6.892  -2.217
  105    HZ2  LYS  10           HZ2      LYS  10   1.751  -6.302  -1.222
  106    HZ3  LYS  10           HZ3      LYS  10   1.821  -6.050  -2.884
  107    H    LYS  11           HN       LYS  11   0.609   0.820   1.211
  108    HA   LYS  11           HA       LYS  11  -1.752  -0.369   2.153
  109    HB2  LYS  11           HB2      LYS  11  -0.382   2.086   3.250
  110    HB3  LYS  11           HB1      LYS  11  -1.658   1.214   4.078
  111    HG2  LYS  11           HG2      LYS  11  -0.126  -0.802   4.032
  112    HG3  LYS  11           HG1      LYS  11   1.148   0.299   3.498
  113    HD2  LYS  11           HD2      LYS  11  -0.441   0.506   6.069
  114    HD3  LYS  11           HD1      LYS  11   1.235  -0.011   5.922
  115    HE2  LYS  11           HE2      LYS  11   1.882   2.194   5.153
  116    HE3  LYS  11           HE1      LYS  11   0.199   2.713   5.140
  117    HZ1  LYS  11           HZ1      LYS  11   1.344   3.501   7.110
  118    HZ2  LYS  11           HZ2      LYS  11   1.737   1.943   7.571
  119    HZ3  LYS  11           HZ3      LYS  11   0.132   2.432   7.539
  120    H    ILE  12           HN       ILE  12  -1.235   2.614   0.524
  121    HA   ILE  12           HA       ILE  12  -3.653   3.921   1.119
  122    HB   ILE  12           HB       ILE  12  -1.924   4.141  -1.368
  123   HG12  ILE  12          HG12      ILE  12  -1.968   5.836   1.144
  124   HG13  ILE  12          HG11      ILE  12  -0.727   4.664   0.725
  125   HG21  ILE  12          HG21      ILE  12  -4.169   5.019  -1.773
  126   HG22  ILE  12          HG22      ILE  12  -2.987   6.325  -1.707
  127   HG23  ILE  12          HG23      ILE  12  -4.042   6.022  -0.328
  128   HD11  ILE  12          HD11      ILE  12  -1.371   7.192  -0.781
  129   HD12  ILE  12          HD12      ILE  12  -0.140   6.020  -1.238
  130   HD13  ILE  12          HD13      ILE  12   0.021   6.924   0.268
  131    H    ARG  13           HN       ARG  13  -2.743   1.783  -1.605
  132    HA   ARG  13           HA       ARG  13  -5.354   1.913  -2.731
  133    HB2  ARG  13           HB2      ARG  13  -4.732   0.041  -4.208
  134    HB3  ARG  13           HB1      ARG  13  -3.522   1.309  -4.211
  135    HG2  ARG  13           HG2      ARG  13  -2.026  -0.010  -2.935
  136    HG3  ARG  13           HG1      ARG  13  -3.285  -1.193  -2.573
  137    HD2  ARG  13           HD2      ARG  13  -2.210  -0.598  -5.328
  138    HD3  ARG  13           HD1      ARG  13  -1.746  -1.981  -4.325
  139    HE   ARG  13           HE       ARG  13  -4.419  -2.121  -4.404
  140   HH11  ARG  13          HH11      ARG  13  -1.994  -1.993  -7.000
  141   HH12  ARG  13          HH12      ARG  13  -2.938  -2.890  -8.084
  142   HH21  ARG  13          HH21      ARG  13  -5.686  -3.345  -5.915
  143   HH22  ARG  13          HH22      ARG  13  -5.083  -3.651  -7.472
  144    H    LEU  14           HN       LEU  14  -3.922  -0.192  -0.365
  145    HA   LEU  14           HA       LEU  14  -6.075  -2.037  -0.300
  146    HB2  LEU  14           HB2      LEU  14  -3.889  -1.362   1.628
  147    HB3  LEU  14           HB1      LEU  14  -5.252  -2.284   2.209
  148    HG   LEU  14           HG       LEU  14  -3.420  -3.753   1.689
  149   HD11  LEU  14          HD11      LEU  14  -5.620  -4.040  -0.338
  150   HD12  LEU  14          HD12      LEU  14  -5.645  -4.603   1.333
  151   HD13  LEU  14          HD13      LEU  14  -4.506  -5.301   0.185
  152   HD21  LEU  14          HD21      LEU  14  -2.559  -4.037  -0.576
  153   HD22  LEU  14          HD22      LEU  14  -2.274  -2.395   0.013
  154   HD23  LEU  14          HD23      LEU  14  -3.579  -2.710  -1.130
  155    H    ALA  15           HN       ALA  15  -5.502   1.016   1.286
  156    HA   ALA  15           HA       ALA  15  -7.737   0.860   3.031
  157    HB1  ALA  15           HB1      ALA  15  -7.322   3.220   3.448
  158    HB2  ALA  15           HB2      ALA  15  -6.263   3.294   2.041
  159    HB3  ALA  15           HB3      ALA  15  -5.798   2.328   3.438
  160    H    ALA  16           HN       ALA  16  -7.187   2.349  -0.103
  161    HA   ALA  16           HA       ALA  16  -9.742   3.536  -0.341
  162    HB1  ALA  16           HB1      ALA  16  -7.789   4.296  -1.589
  163    HB2  ALA  16           HB2      ALA  16  -9.144   3.919  -2.659
  164    HB3  ALA  16           HB3      ALA  16  -7.797   2.791  -2.508
  165    H    ALA  17           HN       ALA  17  -8.538   0.357  -1.130
  166    HA   ALA  17           HA       ALA  17 -10.894  -0.315  -2.654
  167    HB1  ALA  17           HB1      ALA  17  -9.919  -2.534  -2.834
  168    HB2  ALA  17           HB2      ALA  17  -8.680  -2.097  -1.654
  169    HB3  ALA  17           HB3      ALA  17  -8.723  -1.299  -3.224
  170    H    PHE  18           HN       PHE  18  -9.842  -0.464   0.603
  171    HA   PHE  18           HA       PHE  18 -11.550  -2.525   1.486
  172    HB2  PHE  18           HB2      PHE  18  -9.574  -1.853   2.761
  173    HB3  PHE  18           HB1      PHE  18 -10.276  -0.266   3.042
  174    HD1  PHE  18           HD1      PHE  18 -11.324  -3.827   3.452
  175    HD2  PHE  18           HD2      PHE  18 -11.073   0.056   5.172
  176    HE1  PHE  18           HE1      PHE  18 -12.339  -4.680   5.513
  177    HE2  PHE  18           HE2      PHE  18 -12.096  -0.791   7.235
  178    HZ   PHE  18           HZ       PHE  18 -12.729  -3.164   7.408
  179    H    LYS  19           HN       LYS  19 -11.940   1.049   1.328
  180    HA   LYS  19           HA       LYS  19 -14.466   0.890   2.556
  181    HB2  LYS  19           HB2      LYS  19 -14.540   3.297   1.799
  182    HB3  LYS  19           HB1      LYS  19 -13.248   2.861   2.909
  183    HG2  LYS  19           HG2      LYS  19 -11.723   2.645   0.940
  184    HG3  LYS  19           HG1      LYS  19 -13.034   3.278  -0.054
  185    HD2  LYS  19           HD2      LYS  19 -11.777   4.645   2.290
  186    HD3  LYS  19           HD1      LYS  19 -11.406   4.904   0.582
  187    HE2  LYS  19           HE2      LYS  19 -14.107   5.342   1.879
  188    HE3  LYS  19           HE1      LYS  19 -12.911   6.580   1.522
  189    HZ1  LYS  19           HZ1      LYS  19 -13.146   6.067  -0.857
  190    HZ2  LYS  19           HZ2      LYS  19 -14.620   6.494  -0.184
  191    HZ3  LYS  19           HZ3      LYS  19 -14.308   4.890  -0.503
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1  15.642   3.328   0.992
    2    H3   PRO   1           HT2      PRO   1  15.459   1.682   0.740
    3    HA   PRO   1           HA       PRO   1  14.052   1.371   2.561
    4    HB2  PRO   1           HB2      PRO   1  13.060   3.953   2.955
    5    HB3  PRO   1           HB1      PRO   1  13.992   2.989   4.106
    6    HG2  PRO   1           HG2      PRO   1  14.898   5.175   2.319
    7    HG3  PRO   1           HG1      PRO   1  15.536   4.653   3.876
    8    HD2  PRO   1           HD2      PRO   1  16.825   4.155   1.583
    9    HD3  PRO   1           HD1      PRO   1  16.894   3.105   2.980
   10    H    MET   2           HN       MET   2  14.196   1.806  -0.528
   11    HA   MET   2           HA       MET   2  11.831   3.225  -1.186
   12    HB2  MET   2           HB2      MET   2  12.069   2.360  -3.453
   13    HB3  MET   2           HB1      MET   2  13.626   2.912  -2.863
   14    HG2  MET   2           HG2      MET   2  14.339   0.635  -2.489
   15    HG3  MET   2           HG1      MET   2  12.743   0.031  -2.914
   16    HE1  MET   2           HE1      MET   2  11.901   1.673  -5.449
   17    HE2  MET   2           HE2      MET   2  11.787  -0.085  -5.347
   18    HE3  MET   2           HE3      MET   2  12.552   0.668  -6.745
   19    H    LYS   3           HN       LYS   3  12.473  -0.090  -0.330
   20    HA   LYS   3           HA       LYS   3  10.087  -1.234  -1.316
   21    HB2  LYS   3           HB2      LYS   3  11.765  -2.082   1.047
   22    HB3  LYS   3           HB1      LYS   3  10.503  -3.050   0.309
   23    HG2  LYS   3           HG2      LYS   3  11.781  -3.145  -1.766
   24    HG3  LYS   3           HG1      LYS   3  13.048  -2.156  -1.035
   25    HD2  LYS   3           HD2      LYS   3  13.342  -3.868   0.696
   26    HD3  LYS   3           HD1      LYS   3  12.137  -4.877  -0.100
   27    HE2  LYS   3           HE2      LYS   3  13.558  -4.946  -2.112
   28    HE3  LYS   3           HE1      LYS   3  14.761  -3.965  -1.284
   29    HZ1  LYS   3           HZ1      LYS   3  15.362  -6.290  -1.194
   30    HZ2  LYS   3           HZ2      LYS   3  13.914  -6.707  -0.470
   31    HZ3  LYS   3           HZ3      LYS   3  15.023  -5.743   0.350
   32    H    LEU   4           HN       LEU   4  10.871   0.513   1.567
   33    HA   LEU   4           HA       LEU   4   8.516  -0.125   3.042
   34    HB2  LEU   4           HB2      LEU   4  10.309   2.284   3.293
   35    HB3  LEU   4           HB1      LEU   4   9.150   1.737   4.485
   36    HG   LEU   4           HG       LEU   4  11.684   0.313   3.668
   37   HD11  LEU   4          HD11      LEU   4  10.895   1.719   6.199
   38   HD12  LEU   4          HD12      LEU   4  12.081   2.279   5.018
   39   HD13  LEU   4          HD13      LEU   4  12.383   0.812   5.954
   40   HD21  LEU   4          HD21      LEU   4  11.170  -1.234   5.496
   41   HD22  LEU   4          HD22      LEU   4   9.947  -1.298   4.229
   42   HD23  LEU   4          HD23      LEU   4   9.615  -0.435   5.735
   43    H    LEU   5           HN       LEU   5   9.459   2.358   0.784
   44    HA   LEU   5           HA       LEU   5   7.220   4.060   1.099
   45    HB2  LEU   5           HB2      LEU   5   8.981   3.638  -1.312
   46    HB3  LEU   5           HB1      LEU   5   7.865   4.967  -1.092
   47    HG   LEU   5           HG       LEU   5  10.316   4.452   0.590
   48   HD11  LEU   5          HD11      LEU   5  11.196   6.437  -0.532
   49   HD12  LEU   5          HD12      LEU   5   9.763   6.481  -1.560
   50   HD13  LEU   5          HD13      LEU   5  10.880   5.124  -1.664
   51   HD21  LEU   5          HD21      LEU   5   9.869   6.677   1.497
   52   HD22  LEU   5          HD22      LEU   5   8.549   5.564   1.847
   53   HD23  LEU   5          HD23      LEU   5   8.374   6.763   0.566
   54    H    LYS   6           HN       LYS   6   7.961   1.406  -1.212
   55    HA   LYS   6           HA       LYS   6   5.521   1.576  -2.546
   56    HB2  LYS   6           HB2      LYS   6   7.339  -0.790  -2.212
   57    HB3  LYS   6           HB1      LYS   6   6.193  -0.489  -3.517
   58    HG2  LYS   6           HG2      LYS   6   7.485   1.425  -4.255
   59    HG3  LYS   6           HG1      LYS   6   8.611   1.205  -2.921
   60    HD2  LYS   6           HD2      LYS   6   9.604   0.283  -4.854
   61    HD3  LYS   6           HD1      LYS   6   9.094  -1.063  -3.833
   62    HE2  LYS   6           HE2      LYS   6   8.555  -1.562  -6.011
   63    HE3  LYS   6           HE1      LYS   6   7.033  -1.239  -5.205
   64    HZ1  LYS   6           HZ1      LYS   6   7.028  -0.130  -7.370
   65    HZ2  LYS   6           HZ2      LYS   6   8.481   0.616  -7.025
   66    HZ3  LYS   6           HZ3      LYS   6   7.108   1.061  -6.188
   67    H    ARG   7           HN       ARG   7   6.577  -0.129   0.343
   68    HA   ARG   7           HA       ARG   7   4.301  -1.788   0.645
   69    HB2  ARG   7           HB2      ARG   7   6.418  -2.169   1.870
   70    HB3  ARG   7           HB1      ARG   7   6.160  -0.683   2.767
   71    HG2  ARG   7           HG2      ARG   7   5.589  -2.627   4.112
   72    HG3  ARG   7           HG1      ARG   7   4.160  -1.644   3.796
   73    HD2  ARG   7           HD2      ARG   7   3.690  -4.041   3.563
   74    HD3  ARG   7           HD1      ARG   7   3.469  -3.194   2.035
   75    HE   ARG   7           HE       ARG   7   6.090  -4.254   2.292
   76   HH11  ARG   7          HH11      ARG   7   2.778  -5.239   1.561
   77   HH12  ARG   7          HH12      ARG   7   3.225  -6.545   0.562
   78   HH21  ARG   7          HH21      ARG   7   6.718  -6.013   0.988
   79   HH22  ARG   7          HH22      ARG   7   5.552  -7.003   0.221
   80    H    LEU   8           HN       LEU   8   5.106   1.439   1.786
   81    HA   LEU   8           HA       LEU   8   2.747   1.942   3.204
   82    HB2  LEU   8           HB2      LEU   8   4.724   3.359   3.387
   83    HB3  LEU   8           HB1      LEU   8   4.574   3.825   1.709
   84    HG   LEU   8           HG       LEU   8   2.510   5.041   2.209
   85   HD11  LEU   8          HD11      LEU   8   1.811   5.381   4.533
   86   HD12  LEU   8          HD12      LEU   8   3.013   4.196   5.057
   87   HD13  LEU   8          HD13      LEU   8   1.666   3.696   4.037
   88   HD21  LEU   8          HD21      LEU   8   4.638   6.207   2.344
   89   HD22  LEU   8          HD22      LEU   8   4.803   5.739   4.036
   90   HD23  LEU   8          HD23      LEU   8   3.508   6.829   3.546
   91    H    GLY   9           HN       GLY   9   3.639   2.458  -0.159
   92    HA2  GLY   9           HA2      GLY   9   1.275   3.598  -1.127
   93    HA3  GLY   9           HA1      GLY   9   2.389   2.616  -2.073
   94    H    LYS  10           HN       LYS  10   2.180   0.222  -0.740
   95    HA   LYS  10           HA       LYS  10  -0.109  -0.959  -1.822
   96    HB2  LYS  10           HB2      LYS  10   1.827  -2.316  -1.355
   97    HB3  LYS  10           HB1      LYS  10   1.761  -1.915   0.350
   98    HG2  LYS  10           HG2      LYS  10   0.990  -4.196  -0.049
   99    HG3  LYS  10           HG1      LYS  10  -0.305  -3.193   0.597
  100    HD2  LYS  10           HD2      LYS  10  -1.192  -4.591  -1.162
  101    HD3  LYS  10           HD1      LYS  10  -1.178  -2.922  -1.716
  102    HE2  LYS  10           HE2      LYS  10   0.882  -3.350  -2.961
  103    HE3  LYS  10           HE1      LYS  10   0.887  -5.015  -2.388
  104    HZ1  LYS  10           HZ1      LYS  10  -1.219  -5.362  -3.537
  105    HZ2  LYS  10           HZ2      LYS  10  -0.018  -4.867  -4.601
  106    HZ3  LYS  10           HZ3      LYS  10  -1.194  -3.774  -4.107
  107    H    LYS  11           HN       LYS  11   0.576   0.034   1.508
  108    HA   LYS  11           HA       LYS  11  -1.906  -0.828   2.554
  109    HB2  LYS  11           HB2      LYS  11  -0.101   1.351   3.590
  110    HB3  LYS  11           HB1      LYS  11  -1.421   0.622   4.490
  111    HG2  LYS  11           HG2      LYS  11  -0.227  -1.578   4.246
  112    HG3  LYS  11           HG1      LYS  11   1.143  -0.671   3.605
  113    HD2  LYS  11           HD2      LYS  11  -0.120  -0.314   6.320
  114    HD3  LYS  11           HD1      LYS  11   1.413  -1.113   5.992
  115    HE2  LYS  11           HE2      LYS  11   2.339   0.996   5.159
  116    HE3  LYS  11           HE1      LYS  11   0.796   1.798   5.453
  117    HZ1  LYS  11           HZ1      LYS  11   2.318   2.235   7.245
  118    HZ2  LYS  11           HZ2      LYS  11   2.590   0.606   7.481
  119    HZ3  LYS  11           HZ3      LYS  11   1.061   1.264   7.820
  120    H    ILE  12           HN       ILE  12  -0.850   2.181   1.147
  121    HA   ILE  12           HA       ILE  12  -3.152   3.719   1.621
  122    HB   ILE  12           HB       ILE  12  -1.076   3.850  -0.578
  123   HG12  ILE  12          HG12      ILE  12  -1.477   5.577   1.872
  124   HG13  ILE  12          HG11      ILE  12  -0.294   4.283   1.725
  125   HG21  ILE  12          HG21      ILE  12  -3.100   4.877  -1.427
  126   HG22  ILE  12          HG22      ILE  12  -1.890   6.115  -1.086
  127   HG23  ILE  12          HG23      ILE  12  -3.235   5.863   0.027
  128   HD11  ILE  12          HD11      ILE  12  -0.378   6.801   0.081
  129   HD12  ILE  12          HD12      ILE  12   0.809   5.505  -0.071
  130   HD13  ILE  12          HD13      ILE  12   0.730   6.457   1.412
  131    H    ARG  13           HN       ARG  13  -2.217   1.684  -1.104
  132    HA   ARG  13           HA       ARG  13  -4.610   2.132  -2.573
  133    HB2  ARG  13           HB2      ARG  13  -2.525  -0.040  -2.835
  134    HB3  ARG  13           HB1      ARG  13  -3.851   0.196  -3.962
  135    HG2  ARG  13           HG2      ARG  13  -1.656   2.176  -3.387
  136    HG3  ARG  13           HG1      ARG  13  -1.797   1.161  -4.823
  137    HD2  ARG  13           HD2      ARG  13  -3.731   3.325  -3.962
  138    HD3  ARG  13           HD1      ARG  13  -2.587   3.414  -5.293
  139    HE   ARG  13           HE       ARG  13  -3.924   1.310  -6.054
  140   HH11  ARG  13          HH11      ARG  13  -5.263   4.314  -4.698
  141   HH12  ARG  13          HH12      ARG  13  -6.733   4.184  -5.538
  142   HH21  ARG  13          HH21      ARG  13  -5.967   1.126  -7.142
  143   HH22  ARG  13          HH22      ARG  13  -7.160   2.323  -6.914
  144    H    LEU  14           HN       LEU  14  -3.655  -0.245  -0.211
  145    HA   LEU  14           HA       LEU  14  -5.837  -2.002  -0.439
  146    HB2  LEU  14           HB2      LEU  14  -3.701  -2.345   0.888
  147    HB3  LEU  14           HB1      LEU  14  -4.301  -1.204   2.058
  148    HG   LEU  14           HG       LEU  14  -5.622  -3.876   1.474
  149   HD11  LEU  14          HD11      LEU  14  -3.724  -3.100   3.680
  150   HD12  LEU  14          HD12      LEU  14  -3.373  -4.190   2.340
  151   HD13  LEU  14          HD13      LEU  14  -4.581  -4.635   3.547
  152   HD21  LEU  14          HD21      LEU  14  -6.742  -3.535   3.631
  153   HD22  LEU  14          HD22      LEU  14  -7.128  -2.219   2.521
  154   HD23  LEU  14          HD23      LEU  14  -5.948  -1.970   3.807
  155    H    ALA  15           HN       ALA  15  -5.257   0.832   1.591
  156    HA   ALA  15           HA       ALA  15  -7.745   0.933   2.877
  157    HB1  ALA  15           HB1      ALA  15  -7.137   3.204   3.472
  158    HB2  ALA  15           HB2      ALA  15  -5.864   3.195   2.252
  159    HB3  ALA  15           HB3      ALA  15  -5.753   2.124   3.646
  160    H    ALA  16           HN       ALA  16  -6.610   2.308  -0.122
  161    HA   ALA  16           HA       ALA  16  -8.713   4.039  -0.707
  162    HB1  ALA  16           HB1      ALA  16  -7.943   3.897  -3.024
  163    HB2  ALA  16           HB2      ALA  16  -6.984   2.478  -2.617
  164    HB3  ALA  16           HB3      ALA  16  -6.587   4.042  -1.905
  165    H    ALA  17           HN       ALA  17  -8.267   0.630  -1.466
  166    HA   ALA  17           HA       ALA  17 -10.806   0.490  -2.818
  167    HB1  ALA  17           HB1      ALA  17  -8.883  -0.787  -3.632
  168    HB2  ALA  17           HB2      ALA  17 -10.231  -1.841  -3.210
  169    HB3  ALA  17           HB3      ALA  17  -8.851  -1.695  -2.121
  170    H    PHE  18           HN       PHE  18  -9.570  -0.037   0.325
  171    HA   PHE  18           HA       PHE  18 -11.138  -1.981   1.426
  172    HB2  PHE  18           HB2      PHE  18  -9.222  -0.912   2.550
  173    HB3  PHE  18           HB1      PHE  18 -10.182   0.537   2.799
  174    HD1  PHE  18           HD1      PHE  18  -9.687  -2.950   3.790
  175    HD2  PHE  18           HD2      PHE  18 -11.830   0.640   4.569
  176    HE1  PHE  18           HE1      PHE  18 -10.455  -3.872   5.928
  177    HE2  PHE  18           HE2      PHE  18 -12.600  -0.281   6.706
  178    HZ   PHE  18           HZ       PHE  18 -11.915  -2.536   7.392
  179    H    LYS  19           HN       LYS  19 -11.922   1.519   1.517
  180    HA   LYS  19           HA       LYS  19 -14.442   0.897   2.634
  181    HB2  LYS  19           HB2      LYS  19 -14.956   3.259   2.644
  182    HB3  LYS  19           HB1      LYS  19 -13.368   2.990   3.317
  183    HG2  LYS  19           HG2      LYS  19 -13.880   3.987   0.517
  184    HG3  LYS  19           HG1      LYS  19 -13.642   5.042   1.904
  185    HD2  LYS  19           HD2      LYS  19 -11.399   4.075   2.214
  186    HD3  LYS  19           HD1      LYS  19 -11.671   3.046   0.806
  187    HE2  LYS  19           HE2      LYS  19 -11.704   6.051   0.785
  188    HE3  LYS  19           HE1      LYS  19 -10.350   5.047   0.272
  189    HZ1  LYS  19           HZ1      LYS  19 -11.810   4.071  -1.423
  190    HZ2  LYS  19           HZ2      LYS  19 -11.616   5.724  -1.621
  191    HZ3  LYS  19           HZ3      LYS  19 -13.053   5.126  -0.979