*HEADER    PLANT PROTEIN                           26-JUL-16   2NDN              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 20 (PDP-20)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS1A DERIVED PEPTIDE 20;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 63-78;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ZINNIA HAAGEANA;                                
*SOURCE   4 ORGANISM_TAXID: 1525732;                                             
*SOURCE   5 OTHER_DETAILS: ASSEMBLED BY FMOC SOLID PHASE PEPTIDE SYNTHESIS AND   
*SOURCE   6 CYCLISED BY NATIVE CHEMICAL LIGATION.                                
*KEYWDS    PDP, PAWS DERIVED PEPTIDE, PLANT PEPTIDE, CYCLIC PEPTIDE, PLANT       
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.FRANKE, A.S.JAYASENA, M.F.FISHER, J.E.SWEDBERG, N.L.TAYLOR,         
*AUTHOR   2 J.S.MYLNE, K.ROSENGREN                                               
*REVDAT   1   24-AUG-16 2NDN    0                                                



#    1 G   91.676    4.090    8.444   11.423    0.395 0.719 25 14 Strong
   1   GLY  PHI      71.7   111.7
   1   GLY  PSI     -18.8    26.9

#    2 I  -78.374  130.170   10.546    5.202    0.395 0.797 25 14 Strong
   2   ILE  PHI     -99.5   -57.3
   2   ILE  PSI     110.2   150.2

#    3 c -120.354  141.074   11.714    9.037    0.482 0.882 25 15 Strong
   3   CYSS  PHI    -143.8   -96.9
   3   CYSS  PSI     121.1   161.1

#    4 F -127.168  142.727   16.676   12.434    0.491 0.894 25 15 Strong
   4   PHE  PHI    -160.5   -93.8
   4   PHE  PSI     117.9   167.6

#    5 K -105.036  124.526   15.400   14.255    0.397 0.890 25 15 Strong
   5   LYS  PHI    -135.8   -74.2
   5   LYS  PSI      96.0   153.0

#   6 D  -68.949  146.370    7.840   16.539    0.395 0.867 25 13 Strong
   6   ASP  PHI     -88.9   -48.9
   6   ASP  PSI     113.3   179.4

#    7 P  -61.772  -20.849    8.673    7.778    0.393 0.785 25 13 Strong
#   7   PRO  PHI     -81.8   -41.8
   7   PRO  PSI     -40.8    -0.8

#    8 F  -95.316    2.628    8.999   12.306    0.333 0.736 25 12 Strong
   8   PHE  PHI    -115.3   -75.3
   8   PHE  PSI     -22.0    27.2

#   9 G   87.716   -1.103    7.343   35.712    0.440 0.703 10 13 Generous
  9   GLY  PHI      57.7   117.7
  9   GLY  PSI    -106.1   103.9

#   10 S  -77.965  143.257   10.441    8.611    0.498 0.755 25 13 Strong
  10   SER  PHI     -98.8   -57.1
  10   SER  PSI     123.3   163.3

#   11 T  -79.458  127.085   12.332    9.416    0.500 0.810 25 14 Strong
  11   THR  PHI    -104.1   -54.8
  11   THR  PSI     107.1   147.1

#   12 L -104.698  128.895   16.252    9.085    0.465 0.870 25 15 Strong
  12   LEU  PHI    -137.2   -72.2
  12   LEU  PSI     108.9   148.9

#   13 c -133.650  158.218   10.816    8.617    0.402 0.884 25 15 Strong
  13   CYSS  PHI    -155.3  -112.0
  13   CYSS  PSI     138.2   178.2

#   14 A  -75.097  151.528   15.413   20.815    0.419 0.865 25 13 Strong
  14   ALA  PHI    -105.9   -44.3
  14   ALA  PSI     109.9   193.2

#   15 P  -55.058  -29.551    4.320    5.384    0.358 0.816 25 13 Strong
#  15   PRO  PHI     -75.1   -35.1
  15   PRO  PSI     -49.6    -9.6

#   16 D  -83.775   -3.435    6.767    8.104    0.495 0.773 25 12 Strong
  16   ASP  PHI    -103.8   -63.8
  16   ASP  PSI     -23.4    16.6

# Chi Angles
  3 CYSS CHI1 -90 -30
  8 PHE CHI1  -90 -30
 13 CYSS CHI1 -90 -30
 12 LEU  H      12 LEU  HG      5.06            #peak 3 #SUP 0.91 #QF 0.91
  5 LYS  QG      6 ASP  H       4.93            #peak 4 #SUP 1.00 #QF 0.82
 12 LEU  H      12 LEU  QD1     5.50            #peak 6 #SUP 1.00
 12 LEU  H      12 LEU  QD2     5.50            #peak 7 #SUP 0.96 #QF 0.96
  2 ILE  H       2 ILE  HB      3.23            #peak 39 #SUP 0.88 #QF 0.88
  2 ILE  H       2 ILE  HG13    3.96            #peak 40 #SUP 0.98 #QF 0.98
  2 ILE  H       2 ILE  QG2     5.50            #peak 41 #SUP 1.00
  2 ILE  H       2 ILE  QD1     5.50            #peak 43 #SUP 1.00
  3 CYSS H       3 CYSS HB2     3.98            #peak 47 #SUP 0.62 #QF 0.62
  3 CYSS H       3 CYSS HB3     3.98            #peak 48 #SUP 0.94 #QF 0.94
 11 THR  QG2    12 LEU  H       4.20            #peak 52 #SUP 0.88 #QF 0.88
 11 THR  HB     12 LEU  H       5.50            #peak 53 #SUP 0.99 #QF 0.99
 11 THR  H      11 THR  HB      3.02            #peak 55 #SUP 0.55 #QF 0.55
 11 THR  H      11 THR  QG2     4.15            #peak 56 #SUP 0.96 #QF 0.96
 11 THR  HA     12 LEU  H       2.87            #peak 57 #SUP 0.37 #QF 0.37
  3 CYSS HA      3 CYSS HB2     2.99            #peak 61 #SUP 0.95 #QF 0.95
  3 CYSS HA      3 CYSS HB3     2.99            #peak 62 #SUP 0.97 #QF 0.97
  2 ILE  HA      3 CYSS H       2.52            #peak 63 #SUP 0.26 #QF 0.26
  1 GLY  H      16 ASP  HA      3.75            #peak 64 #SUP 0.41 #QF 0.41
 14 ALA  HA     15 PRO  HD2     3.62            #peak 66 #SUP 0.99 #QF 0.99
 14 ALA  HA     15 PRO  HD3     3.62            #peak 67 #SUP 0.99 #QF 0.99
 12 LEU  HA     13 CYSS H       3.02            #peak 91 #SUP 0.42 #QF 0.42
 13 CYSS H      13 CYSS HB2     3.36            #peak 92 #SUP 0.73 #QF 0.73
 13 CYSS HA     14 ALA  H       2.60            #peak 94 #SUP 0.58 #QF 0.58
 14 ALA  H      14 ALA  QB      3.14            #peak 96 #SUP 0.52 #QF 0.52
  6 ASP  H       6 ASP  HB2     4.01            #peak 101 #SUP 0.95 #QF 0.95
  6 ASP  H       6 ASP  HB3     4.01            #peak 102 #SUP 0.70 #QF 0.70
  5 LYS  HA      6 ASP  H       2.65            #peak 103 #SUP 0.28 #QF 0.28
  5 LYS  H       5 LYS  QE      5.50            #peak 104 #SUP 1.00
  5 LYS  H       5 LYS  QG      5.48            #peak 106 #SUP 1.00
  5 LYS  H       5 LYS  QD      4.81            #peak 107 #SUP 0.98 #QF 0.98
  4 PHE  HA      5 LYS  H       3.00            #peak 111 #SUP 0.50 #QF 0.50
  4 PHE  H       4 PHE  QB      4.04            #peak 114 #SUP 0.95 #QF 0.95
  4 PHE  H      13 CYSS HA      4.00            #peak 115 #SUP 0.90 #QF 0.90
  3 CYSS HA      4 PHE  H       2.72            #peak 131 #SUP 0.67 #QF 0.67
 10 SER  HA     11 THR  H       2.69            #peak 132 #SUP 0.40 #QF 0.40
 13 CYSS HB3    14 ALA  H       3.46            #peak 134 #SUP 0.75 #QF 0.75
 13 CYSS HB2    14 ALA  H       4.22            #peak 135 #SUP 0.93 #QF 0.93
  3 CYSS HA     14 ALA  H       4.01            #peak 136 #SUP 0.93 #QF 0.93
  3 CYSS HA     13 CYSS HA      2.46            #peak 156 #SUP 0.89 #QF 0.89
  2 ILE  HB      3 CYSS H       4.77            #peak 160 #SUP 0.99 #QF 0.99
 14 ALA  QB     16 ASP  H       3.41            #peak 163 #SUP 0.73 #QF 0.73
  2 ILE  H      14 ALA  QB      4.04            #peak 167 #SUP 0.68 #QF 0.68
  2 ILE  H       2 ILE  HG12    3.96            #peak 168 #SUP 0.99 #QF 0.99
  4 PHE  QB      5 LYS  H       3.71            #peak 174 #SUP 0.85 #QF 0.85
  8 PHE  HA      8 PHE  QE      5.44            #peak 180 #SUP 0.91 #QF 0.91
  8 PHE  HA      8 PHE  QD      3.96            #peak 181 #SUP 1.00
 14 ALA  QB     15 PRO  HD3     3.15            #peak 184 #SUP 0.83 #QF 0.83
 14 ALA  QB     15 PRO  HD2     3.15            #peak 185 #SUP 0.89 #QF 0.89
  6 ASP  HB2     7 PRO  HD3     5.50            #peak 189 #SUP 0.87 #QF 0.87
  6 ASP  HB3     7 PRO  HD3     5.50            #peak 190 #SUP 1.00
  6 ASP  HB3     7 PRO  HD2     5.50            #peak 191 #SUP 1.00
  6 ASP  HB2     7 PRO  HD2     5.50            #peak 192 #SUP 1.00
  4 PHE  QD      5 LYS  H       5.50            #peak 193 #SUP 1.00
  4 PHE  H       4 PHE  QD      4.21            #peak 194 #SUP 0.96 #QF 0.96
  2 ILE  H      14 ALA  H       4.48            #peak 195 #SUP 0.84 #QF 0.84
  1 GLY  H       2 ILE  H       3.45            #peak 196 #SUP 0.72 #QF 0.72
  1 GLY  H      16 ASP  H       3.99            #peak 197 #SUP 0.51 #QF 0.51
  8 PHE  H       9 GLY  H       2.88            #peak 198 #SUP 0.50 #QF 0.50
  8 PHE  H      10 SER  H       5.03            #peak 199 #SUP 0.99 #QF 0.99
  9 GLY  H      10 SER  H       3.39            #peak 200 #SUP 0.81 #QF 0.81
  2 ILE  QG2     3 CYSS H       4.95            #peak 204 #SUP 0.99 #QF 0.99
  3 CYSS HA      4 PHE  QD      5.50            #peak 207 #SUP 0.93 #QF 0.93
  4 PHE  HA      4 PHE  QD      5.11            #peak 208 #SUP 0.88 #QF 0.88
  6 ASP  HB3     8 PHE  QD      4.83            #peak 210 #SUP 0.92 #QF 0.92
  6 ASP  HB2     8 PHE  QD      4.83            #peak 211 #SUP 0.81 #QF 0.81
  4 PHE  QD     14 ALA  QB      4.93            #peak 213 #SUP 0.64 #QF 0.64
  4 PHE  QD     12 LEU  HB2     5.50            #peak 214 #SUP 0.96 #QF 0.42
  4 PHE  QD     12 LEU  HB3     5.50            #peak 219 #SUP 1.00
 11 THR  HA     11 THR  QG2     3.22            #peak 239 #SUP 0.98 #QF 0.98
  2 ILE  HA      2 ILE  HG12    4.14            #peak 243 #SUP 1.00
  2 ILE  HA      2 ILE  HG13    4.14            #peak 244 #SUP 0.98 #QF 0.98
  2 ILE  HA      2 ILE  QD1     5.50            #peak 246 #SUP 1.00
  2 ILE  QG2     2 ILE  QD1     2.48            #peak 255 #SUP 0.84 #QF 0.84
  4 PHE  HA      4 PHE  QB      3.02            #peak 258 #SUP 0.98 #QF 0.98
  5 LYS  HA      5 LYS  QE      5.32            #peak 259 #SUP 0.99 #QF 0.99
  5 LYS  HA      5 LYS  QD      5.50            #peak 262 #SUP 0.99 #QF 0.99
  5 LYS  QG      5 LYS  QE      3.57            #peak 267 #SUP 0.96 #QF 0.96
  5 LYS  HB2     5 LYS  QD      3.13            #peak 269 #SUP 0.98 #QF 0.98
  5 LYS  HB3     5 LYS  QD      3.13            #peak 271 #SUP 0.74 #QF 0.74
  5 LYS  QG      5 LYS  QD      2.40            #peak 273 #SUP 0.99 #QF 0.99
 10 SER  H      10 SER  QB      2.88            #peak 274 #SUP 0.51 #QF 0.51
 10 SER  QB     11 THR  H       3.24            #peak 275 #SUP 0.70 #QF 0.70
 12 LEU  HA     12 LEU  QD1     5.50            #peak 280 #SUP 0.98 #QF 0.98
 12 LEU  HA     12 LEU  QD2     5.50            #peak 281 #SUP 1.00
  7 PRO  QG      8 PHE  H       5.46            #peak 293 #SUP 0.72 #QF 0.72
  1 GLY  H      14 ALA  QB      5.01            #peak 298 #SUP 0.82 #QF 0.82
  2 ILE  HB     14 ALA  H       5.50            #peak 299 #SUP 0.85 #QF 0.85
  4 PHE  QE     14 ALA  QB      5.49            #peak 300 #SUP 0.86 #QF 0.86
  6 ASP  HA      7 PRO  QG      5.50            #peak 304 #SUP 0.88 #QF 0.88
  1 GLY  H       1 GLY  QA      2.55            #peak 24
  2 ILE  H       2 ILE  QG1     3.47            #peak 40
  2 ILE  HA      2 ILE  QG1     3.51            #peak 244
  2 ILE  QG2     2 ILE  QG1     2.39            #peak 254
  3 CYSS H       3 CYSS QB      3.13            #peak 47
  3 CYSS QB      4 PHE  H       3.75            #peak 215
  4 PHE  H      12 LEU  QB      5.17            #peak 117
  4 PHE  QE     12 LEU  QB      4.51            #peak 302
  4 PHE  QE     12 LEU  QQD     4.82            #peak 301
  5 LYS  H       5 LYS  QB      3.01            #peak 109
  5 LYS  QB      5 LYS  QD      2.55            #peak 271
  5 LYS  QB      5 LYS  QE      2.85            #peak 264
  5 LYS  QB      6 ASP  H       4.23            #peak 161
  6 ASP  H       6 ASP  QB      3.14            #peak 102
  6 ASP  HA      7 PRO  QD      3.23            #peak 139
  6 ASP  QB      7 PRO  QD      3.89            #peak 189
  6 ASP  QB      8 PHE  H       4.56            #peak 221
  6 ASP  QB      8 PHE  QD      4.14            #peak 211
  7 PRO  QD      8 PHE  H       4.10            #peak 222
  7 PRO  QD      8 PHE  QD      5.06            #peak 294
  8 PHE  H       8 PHE  QB      3.11            #peak 122
  8 PHE  QB     10 SER  H       3.11            #peak 138
 12 LEU  H      12 LEU  QB      3.49            #peak 5
 12 LEU  QB     12 LEU  HG      2.54            #peak 282
 12 LEU  QB     13 CYSS H       4.08            #peak 162
 14 ALA  HA     15 PRO  QD      3.04            #peak 66
 14 ALA  QB     15 PRO  QD      2.67            #peak 184
 15 PRO  QB     16 ASP  H       3.64            #peak 164
 15 PRO  QD     16 ASP  H       3.66            #peak 165
 16 ASP  H      16 ASP  QB      3.19            #peak 32
 12 LEU   H     4 PHE   O       2.30           
 12 LEU   N     4 PHE   O       3.30          
  4 PHE   H    12 LEU  O       2.30          
  4 PHE   N    12 LEU  O       3.30         
 14 ALA   H     2 ILE   O       2.30       
 14 ALA   N     2 ILE   O       3.30      

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -9.497  -2.620  -0.243
    2    HA2  GLY   1           HA1      GLY   1  -9.534  -3.460   2.018
    3    HA3  GLY   1           HA2      GLY   1 -10.141  -4.986   1.391
    4    H    ILE   2           H        ILE   2  -8.063  -4.623  -0.855
    5    HA   ILE   2           HA       ILE   2  -5.981  -6.095   0.517
    6    HB   ILE   2           HB       ILE   2  -6.135  -5.323  -2.399
    7   HG12  ILE   2          HG12      ILE   2  -8.076  -6.663  -1.775
    8   HG13  ILE   2          HG11      ILE   2  -6.970  -7.622  -2.753
    9   HG21  ILE   2          HG21      ILE   2  -4.615  -7.337  -2.614
   10   HG22  ILE   2          HG22      ILE   2  -3.907  -5.899  -1.879
   11   HG23  ILE   2          HG23      ILE   2  -4.412  -7.251  -0.865
   12   HD11  ILE   2          HD11      ILE   2  -6.118  -8.201  -0.240
   13   HD12  ILE   2          HD12      ILE   2  -7.852  -7.994   0.004
   14   HD13  ILE   2          HD13      ILE   2  -7.262  -9.167  -1.172
   15    H    CYS   3           H        CYS   3  -3.871  -5.469   0.786
   16    HA   CYS   3           HA       CYS   3  -3.260  -2.655   0.157
   17    HB2  CYS   3           HB1      CYS   3  -2.778  -4.274   2.625
   18    HB3  CYS   3           HB2      CYS   3  -1.630  -3.007   2.204
   19    H    PHE   4           H        PHE   4  -1.418  -2.232  -0.914
   20    HA   PHE   4           HA       PHE   4   0.446  -4.473  -1.354
   21    HB2  PHE   4           HB1      PHE   4   0.855  -3.611  -3.601
   22    HB3  PHE   4           HB2      PHE   4  -0.860  -3.941  -3.378
   23    HD1  PHE   4           HD2      PHE   4  -2.409  -2.014  -2.908
   24    HD2  PHE   4           HD1      PHE   4   1.610  -1.480  -4.201
   25    HE1  PHE   4           HE2      PHE   4  -2.943   0.284  -3.605
   26    HE2  PHE   4           HE1      PHE   4   1.083   0.819  -4.900
   27    HZ   PHE   4           HZ       PHE   4  -1.195   1.705  -4.602
   28    H    LYS   5           H        LYS   5   2.553  -4.115  -0.978
   29    HA   LYS   5           HA       LYS   5   3.327  -1.413  -0.126
   30    HB2  LYS   5           HB1      LYS   5   3.673  -3.042   1.597
   31    HB3  LYS   5           HB2      LYS   5   4.493  -4.129   0.484
   32    HG2  LYS   5           HG1      LYS   5   6.452  -2.973   0.573
   33    HG3  LYS   5           HG2      LYS   5   5.655  -1.430   0.888
   34    HD2  LYS   5           HD1      LYS   5   6.564  -1.827   2.950
   35    HD3  LYS   5           HD2      LYS   5   5.005  -2.630   3.151
   36    HE2  LYS   5           HE2      LYS   5   5.923  -4.737   3.013
   37    HE3  LYS   5           HE1      LYS   5   7.314  -4.186   2.081
   38    HZ1  LYS   5           HZ1      LYS   5   6.997  -3.257   4.847
   39    HZ2  LYS   5           HZ2      LYS   5   8.410  -3.499   3.951
   40    HZ3  LYS   5           HZ3      LYS   5   7.568  -4.826   4.576
   41    H    ASP   6           H        ASP   6   4.940  -0.311  -1.106
   42    HA   ASP   6           HA       ASP   6   5.936  -1.380  -3.618
   43    HB2  ASP   6           HB1      ASP   6   5.763   1.322  -2.372
   44    HB3  ASP   6           HB2      ASP   6   7.021   1.051  -3.575
   45    HA   PRO   7           HA       PRO   7  10.009  -2.363  -2.325
   46    HB2  PRO   7           HB1      PRO   7  11.517  -1.478  -4.400
   47    HB3  PRO   7           HB2      PRO   7  10.474  -2.900  -4.509
   48    HG2  PRO   7           HG1      PRO   7   9.965  -0.102  -5.443
   49    HG3  PRO   7           HG2      PRO   7   9.619  -1.635  -6.264
   50    HD2  PRO   7           HD1      PRO   7   7.715  -0.220  -4.960
   51    HD3  PRO   7           HD2      PRO   7   7.690  -1.992  -5.055
   52    H    PHE   8           H        PHE   8   9.308   0.949  -3.158
   53    HA   PHE   8           HA       PHE   8  11.780   2.029  -2.199
   54    HB2  PHE   8           HB1      PHE   8   9.119   3.290  -2.870
   55    HB3  PHE   8           HB2      PHE   8  10.511   4.219  -2.319
   56    HD1  PHE   8           HD1      PHE   8   9.270   2.016  -5.011
   57    HD2  PHE   8           HD2      PHE   8  12.247   4.803  -3.794
   58    HE1  PHE   8           HE1      PHE   8  10.094   2.142  -7.326
   59    HE2  PHE   8           HE2      PHE   8  13.076   4.934  -6.107
   60    HZ   PHE   8           HZ       PHE   8  11.999   3.603  -7.876
   61    H    GLY   9           H        GLY   9   8.815   1.047  -0.756
   62    HA2  GLY   9           HA1      GLY   9   8.804   0.662   1.637
   63    HA3  GLY   9           HA2      GLY   9   9.762   2.124   1.822
   64    H    SER  10           H        SER  10   7.235   2.325  -0.464
   65    HA   SER  10           HA       SER  10   5.818   4.193   1.246
   66    HB2  SER  10           HB1      SER  10   5.705   3.495  -1.672
   67    HB3  SER  10           HB2      SER  10   4.385   4.398  -0.929
   68    HG   SER  10           HG       SER  10   6.071   5.723  -1.843
   69    H    THR  11           H        THR  11   3.953   3.813   2.263
   70    HA   THR  11           HA       THR  11   2.747   1.163   1.971
   71    HB   THR  11           HB       THR  11   1.905   3.161   4.046
   72    HG1  THR  11           HG1      THR  11   4.010   1.348   4.540
   73   HG21  THR  11          HG21      THR  11   0.585   1.177   3.977
   74   HG22  THR  11          HG22      THR  11   1.659   1.027   5.367
   75   HG23  THR  11          HG23      THR  11   2.016   0.152   3.879
   76    H    LEU  12           H        LEU  12   1.122   0.992   0.578
   77    HA   LEU  12           HA       LEU  12  -0.917   3.108   0.538
   78    HB2  LEU  12           HB1      LEU  12   0.362   1.751  -1.823
   79    HB3  LEU  12           HB2      LEU  12  -1.161   2.632  -1.929
   80    HG   LEU  12           HG       LEU  12   1.520   3.799  -1.180
   81   HD11  LEU  12          HD11      LEU  12  -0.059   4.575  -3.583
   82   HD12  LEU  12          HD12      LEU  12   0.905   3.100  -3.631
   83   HD13  LEU  12          HD13      LEU  12   1.681   4.649  -3.301
   84   HD21  LEU  12          HD21      LEU  12   0.412   5.507  -0.306
   85   HD22  LEU  12          HD22      LEU  12  -1.125   4.709  -0.643
   86   HD23  LEU  12          HD23      LEU  12  -0.397   5.768  -1.852
   87    H    CYS  13           H        CYS  13  -3.013   2.427   0.390
   88    HA   CYS  13           HA       CYS  13  -3.442  -0.487   0.288
   89    HB2  CYS  13           HB1      CYS  13  -4.728   1.610   2.028
   90    HB3  CYS  13           HB2      CYS  13  -5.489   0.047   1.746
   91    H    ALA  14           H        ALA  14  -5.312  -1.241  -0.746
   92    HA   ALA  14           HA       ALA  14  -6.345   0.586  -2.775
   93    HB1  ALA  14           HB1      ALA  14  -6.346  -1.189  -4.109
   94    HB2  ALA  14           HB2      ALA  14  -5.616  -2.115  -2.797
   95    HB3  ALA  14           HB3      ALA  14  -7.368  -2.093  -2.991
   96    HA   PRO  15           HA       PRO  15 -10.357   1.074  -1.066
   97    HB2  PRO  15           HB1      PRO  15 -11.949   0.929  -3.260
   98    HB3  PRO  15           HB2      PRO  15 -10.895   2.310  -2.927
   99    HG2  PRO  15           HG1      PRO  15 -10.449  -0.016  -4.760
  100    HG3  PRO  15           HG2      PRO  15 -10.117   1.705  -5.033
  101    HD2  PRO  15           HD1      PRO  15  -8.182  -0.061  -4.349
  102    HD3  PRO  15           HD2      PRO  15  -8.142   1.643  -3.848
  103    H    ASP  16           H        ASP  16  -9.602  -1.803  -2.812
  104    HA   ASP  16           HA       ASP  16 -12.037  -3.195  -2.514
  105    HB2  ASP  16           HB1      ASP  16 -10.131  -3.834  -4.035
  106    HB3  ASP  16           HB2      ASP  16  -9.277  -4.418  -2.610
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -9.420  -2.591  -0.520
    2    HA2  GLY   1           HA1      GLY   1  -9.215  -3.576   1.668
    3    HA3  GLY   1           HA2      GLY   1 -10.040  -5.002   1.056
    4    H    ILE   2           H        ILE   2  -7.711  -3.698  -1.060
    5    HA   ILE   2           HA       ILE   2  -5.924  -5.942  -0.456
    6    HB   ILE   2           HB       ILE   2  -5.929  -4.146  -2.884
    7   HG12  ILE   2          HG12      ILE   2  -8.004  -5.417  -2.776
    8   HG13  ILE   2          HG11      ILE   2  -6.969  -6.072  -4.041
    9   HG21  ILE   2          HG21      ILE   2  -4.741  -6.472  -3.624
   10   HG22  ILE   2          HG22      ILE   2  -3.877  -5.030  -3.096
   11   HG23  ILE   2          HG23      ILE   2  -4.207  -6.329  -1.949
   12   HD11  ILE   2          HD11      ILE   2  -8.131  -7.398  -1.816
   13   HD12  ILE   2          HD12      ILE   2  -7.167  -8.071  -3.130
   14   HD13  ILE   2          HD13      ILE   2  -6.376  -7.476  -1.670
   15    H    CYS   3           H        CYS   3  -4.180  -5.558   0.722
   16    HA   CYS   3           HA       CYS   3  -2.973  -2.871   0.626
   17    HB2  CYS   3           HB1      CYS   3  -3.445  -4.780   2.861
   18    HB3  CYS   3           HB2      CYS   3  -1.969  -3.823   2.912
   19    H    PHE   4           H        PHE   4  -0.949  -2.701  -0.088
   20    HA   PHE   4           HA       PHE   4   0.855  -4.987   0.066
   21    HB2  PHE   4           HB1      PHE   4   1.506  -4.659  -2.343
   22    HB3  PHE   4           HB2      PHE   4  -0.105  -5.328  -2.104
   23    HD1  PHE   4           HD1      PHE   4   1.735  -2.212  -2.871
   24    HD2  PHE   4           HD2      PHE   4  -2.000  -4.249  -2.961
   25    HE1  PHE   4           HE1      PHE   4   0.791  -0.409  -4.254
   26    HE2  PHE   4           HE2      PHE   4  -2.951  -2.451  -4.344
   27    HZ   PHE   4           HZ       PHE   4  -1.556  -0.528  -4.993
   28    H    LYS   5           H        LYS   5   3.031  -4.444   0.076
   29    HA   LYS   5           HA       LYS   5   3.571  -1.626   0.611
   30    HB2  LYS   5           HB1      LYS   5   5.205  -4.126   1.067
   31    HB3  LYS   5           HB2      LYS   5   5.787  -2.503   1.414
   32    HG2  LYS   5           HG1      LYS   5   4.005  -2.190   3.037
   33    HG3  LYS   5           HG2      LYS   5   3.375  -3.799   2.670
   34    HD2  LYS   5           HD1      LYS   5   6.227  -3.539   3.488
   35    HD3  LYS   5           HD2      LYS   5   4.978  -3.384   4.726
   36    HE2  LYS   5           HE2      LYS   5   4.970  -5.682   2.803
   37    HE3  LYS   5           HE1      LYS   5   5.979  -5.716   4.248
   38    HZ1  LYS   5           HZ1      LYS   5   3.248  -4.937   4.738
   39    HZ2  LYS   5           HZ2      LYS   5   4.217  -6.056   5.556
   40    HZ3  LYS   5           HZ3      LYS   5   3.409  -6.513   4.142
   41    H    ASP   6           H        ASP   6   4.478  -0.345  -0.848
   42    HA   ASP   6           HA       ASP   6   5.264  -1.291  -3.407
   43    HB2  ASP   6           HB1      ASP   6   5.199   1.344  -2.025
   44    HB3  ASP   6           HB2      ASP   6   6.247   1.194  -3.433
   45    HA   PRO   7           HA       PRO   7   9.546  -2.123  -2.970
   46    HB2  PRO   7           HB1      PRO   7  10.585  -1.085  -5.253
   47    HB3  PRO   7           HB2      PRO   7   9.599  -2.551  -5.226
   48    HG2  PRO   7           HG1      PRO   7   8.805   0.252  -5.911
   49    HG3  PRO   7           HG2      PRO   7   8.369  -1.263  -6.721
   50    HD2  PRO   7           HD1      PRO   7   6.699   0.007  -5.008
   51    HD3  PRO   7           HD2      PRO   7   6.728  -1.761  -5.182
   52    H    PHE   8           H        PHE   8   8.518   1.161  -3.383
   53    HA   PHE   8           HA       PHE   8  11.090   2.350  -2.931
   54    HB2  PHE   8           HB1      PHE   8   8.301   3.517  -2.835
   55    HB3  PHE   8           HB2      PHE   8   9.779   4.462  -2.695
   56    HD1  PHE   8           HD2      PHE   8  11.522   3.418  -4.709
   57    HD2  PHE   8           HD1      PHE   8   7.306   3.982  -4.849
   58    HE1  PHE   8           HE2      PHE   8  11.632   3.611  -7.160
   59    HE2  PHE   8           HE1      PHE   8   7.409   4.173  -7.300
   60    HZ   PHE   8           HZ       PHE   8   9.574   3.989  -8.458
   61    H    GLY   9           H        GLY   9   8.571   1.097  -0.951
   62    HA2  GLY   9           HA1      GLY   9   9.187   0.582   1.359
   63    HA3  GLY   9           HA2      GLY   9   9.966   2.156   1.428
   64    H    SER  10           H        SER  10   7.557   3.201  -0.157
   65    HA   SER  10           HA       SER  10   6.109   4.136   2.105
   66    HB2  SER  10           HB1      SER  10   5.175   4.339  -0.756
   67    HB3  SER  10           HB2      SER  10   4.857   5.448   0.577
   68    HG   SER  10           HG       SER  10   6.721   5.711  -1.172
   69    H    THR  11           H        THR  11   3.898   3.810   2.607
   70    HA   THR  11           HA       THR  11   2.982   1.104   1.970
   71    HB   THR  11           HB       THR  11   1.901   3.003   4.060
   72    HG1  THR  11           HG1      THR  11   3.604   0.771   4.498
   73   HG21  THR  11          HG21      THR  11   0.790   0.693   3.017
   74   HG22  THR  11          HG22      THR  11   0.388   1.433   4.566
   75   HG23  THR  11          HG23      THR  11   1.589   0.145   4.491
   76    H    LEU  12           H        LEU  12   1.272   0.713   0.713
   77    HA   LEU  12           HA       LEU  12  -0.627   2.889   0.176
   78    HB2  LEU  12           HB1      LEU  12   1.185   2.480  -1.632
   79    HB3  LEU  12           HB2      LEU  12   0.245   1.036  -2.008
   80    HG   LEU  12           HG       LEU  12  -1.740   2.632  -2.295
   81   HD11  LEU  12          HD11      LEU  12   0.553   4.562  -2.185
   82   HD12  LEU  12          HD12      LEU  12  -0.996   4.635  -1.344
   83   HD13  LEU  12          HD13      LEU  12  -0.923   4.919  -3.083
   84   HD21  LEU  12          HD21      LEU  12  -0.638   1.482  -4.143
   85   HD22  LEU  12          HD22      LEU  12   0.578   2.756  -4.222
   86   HD23  LEU  12          HD23      LEU  12  -1.106   3.119  -4.602
   87    H    CYS  13           H        CYS  13  -2.739   2.266  -0.182
   88    HA   CYS  13           HA       CYS  13  -3.334  -0.608  -0.065
   89    HB2  CYS  13           HB1      CYS  13  -4.278   1.539   1.796
   90    HB3  CYS  13           HB2      CYS  13  -5.346   0.187   1.433
   91    H    ALA  14           H        ALA  14  -5.440  -1.185  -0.862
   92    HA   ALA  14           HA       ALA  14  -6.412   0.731  -2.866
   93    HB1  ALA  14           HB1      ALA  14  -7.522  -1.901  -3.164
   94    HB2  ALA  14           HB2      ALA  14  -6.508  -0.980  -4.276
   95    HB3  ALA  14           HB3      ALA  14  -5.764  -1.989  -3.034
   96    HA   PRO  15           HA       PRO  15 -10.333   1.241  -0.962
   97    HB2  PRO  15           HB1      PRO  15 -12.020   1.237  -3.089
   98    HB3  PRO  15           HB2      PRO  15 -10.917   2.573  -2.741
   99    HG2  PRO  15           HG1      PRO  15 -10.612   0.326  -4.694
  100    HG3  PRO  15           HG2      PRO  15 -10.246   2.047  -4.904
  101    HD2  PRO  15           HD1      PRO  15  -8.332   0.205  -4.385
  102    HD3  PRO  15           HD2      PRO  15  -8.224   1.882  -3.811
  103    H    ASP  16           H        ASP  16  -9.788  -1.549  -2.946
  104    HA   ASP  16           HA       ASP  16 -12.242  -2.883  -2.506
  105    HB2  ASP  16           HB1      ASP  16  -9.494  -3.796  -3.315
  106    HB3  ASP  16           HB2      ASP  16 -10.785  -4.959  -3.027
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -9.433  -2.408   0.097
    2    HA2  GLY   1           HA1      GLY   1  -9.180  -3.514   2.251
    3    HA3  GLY   1           HA2      GLY   1  -9.921  -4.938   1.537
    4    H    ILE   2           H        ILE   2  -8.219  -4.292  -0.948
    5    HA   ILE   2           HA       ILE   2  -6.060  -6.041  -0.239
    6    HB   ILE   2           HB       ILE   2  -6.466  -4.509  -2.809
    7   HG12  ILE   2          HG12      ILE   2  -7.307  -7.323  -2.083
    8   HG13  ILE   2          HG11      ILE   2  -8.394  -5.950  -2.262
    9   HG21  ILE   2          HG21      ILE   2  -5.020  -6.223  -3.788
   10   HG22  ILE   2          HG22      ILE   2  -4.192  -5.329  -2.515
   11   HG23  ILE   2          HG23      ILE   2  -4.807  -6.951  -2.195
   12   HD11  ILE   2          HD11      ILE   2  -6.787  -7.327  -4.391
   13   HD12  ILE   2          HD12      ILE   2  -8.541  -7.202  -4.252
   14   HD13  ILE   2          HD13      ILE   2  -7.582  -5.772  -4.636
   15    H    CYS   3           H        CYS   3  -3.889  -5.591  -0.083
   16    HA   CYS   3           HA       CYS   3  -3.075  -2.772  -0.231
   17    HB2  CYS   3           HB1      CYS   3  -2.931  -4.608   2.107
   18    HB3  CYS   3           HB2      CYS   3  -1.564  -3.533   1.838
   19    H    PHE   4           H        PHE   4  -0.735  -2.478  -0.394
   20    HA   PHE   4           HA       PHE   4   0.733  -4.834  -1.327
   21    HB2  PHE   4           HB1      PHE   4   0.756  -2.242  -2.873
   22    HB3  PHE   4           HB2      PHE   4   1.447  -3.790  -3.349
   23    HD1  PHE   4           HD2      PHE   4  -0.337  -5.767  -3.427
   24    HD2  PHE   4           HD1      PHE   4  -1.225  -1.624  -3.837
   25    HE1  PHE   4           HE2      PHE   4  -2.419  -6.334  -4.610
   26    HE2  PHE   4           HE1      PHE   4  -3.308  -2.184  -5.020
   27    HZ   PHE   4           HZ       PHE   4  -3.908  -4.541  -5.407
   28    H    LYS   5           H        LYS   5   3.089  -4.357  -1.602
   29    HA   LYS   5           HA       LYS   5   4.009  -2.184   0.148
   30    HB2  LYS   5           HB1      LYS   5   5.065  -5.015   0.255
   31    HB3  LYS   5           HB2      LYS   5   5.587  -3.664   1.252
   32    HG2  LYS   5           HG1      LYS   5   3.588  -3.643   2.472
   33    HG3  LYS   5           HG2      LYS   5   2.751  -4.639   1.277
   34    HD2  LYS   5           HD1      LYS   5   5.087  -5.602   2.922
   35    HD3  LYS   5           HD2      LYS   5   3.399  -5.836   3.384
   36    HE2  LYS   5           HE2      LYS   5   3.058  -6.974   1.173
   37    HE3  LYS   5           HE1      LYS   5   4.804  -6.905   0.943
   38    HZ1  LYS   5           HZ1      LYS   5   5.031  -8.706   2.185
   39    HZ2  LYS   5           HZ2      LYS   5   3.351  -8.831   2.316
   40    HZ3  LYS   5           HZ3      LYS   5   4.228  -7.979   3.484
   41    H    ASP   6           H        ASP   6   5.024  -0.922  -1.297
   42    HA   ASP   6           HA       ASP   6   6.590  -2.057  -3.449
   43    HB2  ASP   6           HB1      ASP   6   5.510   0.583  -2.752
   44    HB3  ASP   6           HB2      ASP   6   7.111   0.639  -3.485
   45    HA   PRO   7           HA       PRO   7  10.575  -1.910  -1.628
   46    HB2  PRO   7           HB1      PRO   7  12.119  -0.990  -3.663
   47    HB3  PRO   7           HB2      PRO   7  11.421  -2.614  -3.645
   48    HG2  PRO   7           HG1      PRO   7  10.461  -0.154  -5.055
   49    HG3  PRO   7           HG2      PRO   7  10.553  -1.822  -5.652
   50    HD2  PRO   7           HD1      PRO   7   8.243  -0.714  -4.777
   51    HD3  PRO   7           HD2      PRO   7   8.602  -2.442  -4.593
   52    H    PHE   8           H        PHE   8   9.145   0.981  -2.816
   53    HA   PHE   8           HA       PHE   8  11.233   2.761  -1.971
   54    HB2  PHE   8           HB1      PHE   8   8.362   3.249  -2.778
   55    HB3  PHE   8           HB2      PHE   8   9.501   4.533  -2.386
   56    HD1  PHE   8           HD1      PHE   8   8.889   1.719  -4.714
   57    HD2  PHE   8           HD2      PHE   8  10.990   5.349  -3.992
   58    HE1  PHE   8           HE1      PHE   8   9.679   1.722  -7.044
   59    HE2  PHE   8           HE2      PHE   8  11.782   5.358  -6.322
   60    HZ   PHE   8           HZ       PHE   8  11.128   3.542  -7.850
   61    H    GLY   9           H        GLY   9   8.554   1.202  -0.477
   62    HA2  GLY   9           HA1      GLY   9   8.528   1.076   1.941
   63    HA3  GLY   9           HA2      GLY   9   9.082   2.743   1.981
   64    H    SER  10           H        SER  10   7.194   3.541  -0.143
   65    HA   SER  10           HA       SER  10   5.092   4.442   1.452
   66    HB2  SER  10           HB1      SER  10   5.317   4.162  -1.548
   67    HB3  SER  10           HB2      SER  10   3.956   4.953  -0.754
   68    HG   SER  10           HG       SER  10   6.659   5.739  -0.851
   69    H    THR  11           H        THR  11   3.290   3.525   2.175
   70    HA   THR  11           HA       THR  11   2.674   0.800   1.421
   71    HB   THR  11           HB       THR  11   0.949   2.410   3.266
   72    HG1  THR  11           HG1      THR  11   2.550   2.677   4.611
   73   HG21  THR  11          HG21      THR  11   0.172   0.406   3.895
   74   HG22  THR  11          HG22      THR  11   1.798  -0.255   4.065
   75   HG23  THR  11          HG23      THR  11   1.012  -0.243   2.487
   76    H    LEU  12           H        LEU  12   1.518   0.432  -0.353
   77    HA   LEU  12           HA       LEU  12  -0.492   2.377  -1.205
   78    HB2  LEU  12           HB1      LEU  12   1.319   1.292  -2.711
   79    HB3  LEU  12           HB2      LEU  12   0.239  -0.100  -2.719
   80    HG   LEU  12           HG       LEU  12  -1.550   1.466  -3.596
   81   HD11  LEU  12          HD11      LEU  12  -1.141   3.623  -3.946
   82   HD12  LEU  12          HD12      LEU  12   0.380   3.276  -4.767
   83   HD13  LEU  12          HD13      LEU  12   0.338   3.406  -3.009
   84   HD21  LEU  12          HD21      LEU  12  -0.665  -0.060  -5.127
   85   HD22  LEU  12          HD22      LEU  12   0.914   0.728  -5.141
   86   HD23  LEU  12          HD23      LEU  12  -0.468   1.505  -5.916
   87    H    CYS  13           H        CYS  13  -2.434   2.098  -0.321
   88    HA   CYS  13           HA       CYS  13  -3.484  -0.649  -0.107
   89    HB2  CYS  13           HB1      CYS  13  -3.739   1.723   1.701
   90    HB3  CYS  13           HB2      CYS  13  -5.050   0.549   1.640
   91    H    ALA  14           H        ALA  14  -5.486  -1.087  -0.919
   92    HA   ALA  14           HA       ALA  14  -6.681   1.010  -2.582
   93    HB1  ALA  14           HB1      ALA  14  -6.945  -0.582  -4.101
   94    HB2  ALA  14           HB2      ALA  14  -6.156  -1.723  -3.012
   95    HB3  ALA  14           HB3      ALA  14  -7.910  -1.538  -2.975
   96    HA   PRO  15           HA       PRO  15 -10.319   1.426  -0.164
   97    HB2  PRO  15           HB1      PRO  15 -12.258   1.620  -2.054
   98    HB3  PRO  15           HB2      PRO  15 -11.086   2.907  -1.745
   99    HG2  PRO  15           HG1      PRO  15 -11.085   0.820  -3.890
  100    HG3  PRO  15           HG2      PRO  15 -10.704   2.547  -4.010
  101    HD2  PRO  15           HD1      PRO  15  -8.787   0.639  -3.883
  102    HD3  PRO  15           HD2      PRO  15  -8.566   2.261  -3.197
  103    H    ASP  16           H        ASP  16  -9.918  -1.278  -2.209
  104    HA   ASP  16           HA       ASP  16 -12.387  -2.597  -1.702
  105    HB2  ASP  16           HB1      ASP  16  -9.704  -3.528  -2.705
  106    HB3  ASP  16           HB2      ASP  16 -11.028  -4.656  -2.429
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -9.383  -2.691  -0.049
    2    HA2  GLY   1           HA1      GLY   1  -8.905  -3.748   2.078
    3    HA3  GLY   1           HA2      GLY   1  -9.731  -5.183   1.490
    4    H    ILE   2           H        ILE   2  -7.806  -3.769  -0.891
    5    HA   ILE   2           HA       ILE   2  -5.798  -5.874  -0.530
    6    HB   ILE   2           HB       ILE   2  -6.216  -4.137  -2.961
    7   HG12  ILE   2          HG12      ILE   2  -7.297  -6.905  -2.389
    8   HG13  ILE   2          HG11      ILE   2  -8.252  -5.428  -2.474
    9   HG21  ILE   2          HG21      ILE   2  -4.664  -5.408  -4.028
   10   HG22  ILE   2          HG22      ILE   2  -4.048  -5.564  -2.384
   11   HG23  ILE   2          HG23      ILE   2  -5.031  -6.850  -3.081
   12   HD11  ILE   2          HD11      ILE   2  -6.893  -6.916  -4.681
   13   HD12  ILE   2          HD12      ILE   2  -8.583  -6.435  -4.536
   14   HD13  ILE   2          HD13      ILE   2  -7.345  -5.222  -4.861
   15    H    CYS   3           H        CYS   3  -3.966  -5.322   0.432
   16    HA   CYS   3           HA       CYS   3  -3.019  -2.549   0.209
   17    HB2  CYS   3           HB1      CYS   3  -2.813  -4.640   2.316
   18    HB3  CYS   3           HB2      CYS   3  -1.456  -3.530   2.145
   19    H    PHE   4           H        PHE   4  -0.993  -2.076  -0.534
   20    HA   PHE   4           HA       PHE   4   0.536  -4.332  -1.652
   21    HB2  PHE   4           HB1      PHE   4   0.517  -1.490  -2.678
   22    HB3  PHE   4           HB2      PHE   4   1.261  -2.891  -3.442
   23    HD1  PHE   4           HD2      PHE   4  -0.322  -4.812  -4.120
   24    HD2  PHE   4           HD1      PHE   4  -1.625  -0.851  -3.266
   25    HE1  PHE   4           HE2      PHE   4  -2.392  -5.225  -5.382
   26    HE2  PHE   4           HE1      PHE   4  -3.698  -1.259  -4.525
   27    HZ   PHE   4           HZ       PHE   4  -4.086  -3.447  -5.585
   28    H    LYS   5           H        LYS   5   2.888  -3.934  -1.867
   29    HA   LYS   5           HA       LYS   5   3.947  -2.087   0.153
   30    HB2  LYS   5           HB1      LYS   5   4.745  -4.991  -0.118
   31    HB3  LYS   5           HB2      LYS   5   5.488  -3.823   0.966
   32    HG2  LYS   5           HG1      LYS   5   3.992  -4.291   2.523
   33    HG3  LYS   5           HG2      LYS   5   2.683  -3.823   1.435
   34    HD2  LYS   5           HD1      LYS   5   2.041  -5.964   1.576
   35    HD3  LYS   5           HD2      LYS   5   3.387  -6.296   0.484
   36    HE2  LYS   5           HE2      LYS   5   4.818  -6.869   2.296
   37    HE3  LYS   5           HE1      LYS   5   3.664  -6.264   3.482
   38    HZ1  LYS   5           HZ1      LYS   5   2.171  -8.082   2.284
   39    HZ2  LYS   5           HZ2      LYS   5   3.161  -8.447   3.605
   40    HZ3  LYS   5           HZ3      LYS   5   3.687  -8.791   2.035
   41    H    ASP   6           H        ASP   6   4.924  -0.707  -1.240
   42    HA   ASP   6           HA       ASP   6   6.365  -1.577  -3.550
   43    HB2  ASP   6           HB1      ASP   6   5.831   1.025  -2.208
   44    HB3  ASP   6           HB2      ASP   6   7.227   0.938  -3.280
   45    HA   PRO   7           HA       PRO   7  10.392  -2.282  -1.963
   46    HB2  PRO   7           HB1      PRO   7  11.977  -1.170  -3.866
   47    HB3  PRO   7           HB2      PRO   7  11.074  -2.667  -4.123
   48    HG2  PRO   7           HG1      PRO   7  10.398   0.122  -4.973
   49    HG3  PRO   7           HG2      PRO   7  10.255  -1.392  -5.885
   50    HD2  PRO   7           HD1      PRO   7   8.136  -0.208  -4.685
   51    HD3  PRO   7           HD2      PRO   7   8.273  -1.969  -4.858
   52    H    PHE   8           H        PHE   8   9.584   1.020  -2.834
   53    HA   PHE   8           HA       PHE   8  11.830   2.202  -1.509
   54    HB2  PHE   8           HB1      PHE   8   9.223   3.487  -2.346
   55    HB3  PHE   8           HB2      PHE   8  10.714   4.327  -1.930
   56    HD1  PHE   8           HD2      PHE   8  12.758   3.903  -3.389
   57    HD2  PHE   8           HD1      PHE   8   8.804   2.822  -4.533
   58    HE1  PHE   8           HE2      PHE   8  13.469   3.806  -5.743
   59    HE2  PHE   8           HE1      PHE   8   9.508   2.721  -6.887
   60    HZ   PHE   8           HZ       PHE   8  11.843   3.214  -7.496
   61    H    GLY   9           H        GLY   9   8.735   1.062  -0.533
   62    HA2  GLY   9           HA1      GLY   9   8.478   0.648   1.871
   63    HA3  GLY   9           HA2      GLY   9   9.185   2.235   2.142
   64    H    SER  10           H        SER  10   7.473   3.063  -0.320
   65    HA   SER  10           HA       SER  10   5.446   4.354   1.088
   66    HB2  SER  10           HB1      SER  10   5.910   3.757  -1.810
   67    HB3  SER  10           HB2      SER  10   4.365   4.444  -1.311
   68    HG   SER  10           HG       SER  10   5.731   6.070  -0.192
   69    H    THR  11           H        THR  11   3.524   3.746   1.839
   70    HA   THR  11           HA       THR  11   2.611   1.025   1.279
   71    HB   THR  11           HB       THR  11   1.366   2.882   3.293
   72    HG1  THR  11           HG1      THR  11   3.827   2.445   3.419
   73   HG21  THR  11          HG21      THR  11   1.587   0.171   4.129
   74   HG22  THR  11          HG22      THR  11   0.948   0.190   2.485
   75   HG23  THR  11          HG23      THR  11   0.129   1.092   3.760
   76    H    LEU  12           H        LEU  12   1.075   0.681  -0.174
   77    HA   LEU  12           HA       LEU  12  -0.877   2.827  -0.695
   78    HB2  LEU  12           HB1      LEU  12   0.906   2.103  -2.491
   79    HB3  LEU  12           HB2      LEU  12  -0.230   0.783  -2.764
   80    HG   LEU  12           HG       LEU  12  -1.053   3.674  -2.898
   81   HD11  LEU  12          HD11      LEU  12  -0.681   2.249  -5.426
   82   HD12  LEU  12          HD12      LEU  12   0.817   2.606  -4.566
   83   HD13  LEU  12          HD13      LEU  12  -0.290   3.912  -4.989
   84   HD21  LEU  12          HD21      LEU  12  -2.622   2.262  -4.602
   85   HD22  LEU  12          HD22      LEU  12  -3.037   2.619  -2.925
   86   HD23  LEU  12          HD23      LEU  12  -2.320   1.063  -3.345
   87    H    CYS  13           H        CYS  13  -2.821   2.291   0.022
   88    HA   CYS  13           HA       CYS  13  -3.612  -0.546  -0.023
   89    HB2  CYS  13           HB1      CYS  13  -4.195   1.689   1.875
   90    HB3  CYS  13           HB2      CYS  13  -5.391   0.411   1.677
   91    H    ALA  14           H        ALA  14  -5.676  -1.109  -0.748
   92    HA   ALA  14           HA       ALA  14  -6.898   0.880  -2.529
   93    HB1  ALA  14           HB1      ALA  14  -6.249  -1.852  -2.852
   94    HB2  ALA  14           HB2      ALA  14  -8.007  -1.716  -2.906
   95    HB3  ALA  14           HB3      ALA  14  -7.014  -0.765  -4.010
   96    HA   PRO  15           HA       PRO  15 -10.620   1.183  -0.226
   97    HB2  PRO  15           HB1      PRO  15 -12.511   1.237  -2.175
   98    HB3  PRO  15           HB2      PRO  15 -11.410   2.584  -1.867
   99    HG2  PRO  15           HG1      PRO  15 -11.248   0.445  -3.954
  100    HG3  PRO  15           HG2      PRO  15 -10.946   2.185  -4.111
  101    HD2  PRO  15           HD1      PRO  15  -8.946   0.375  -3.879
  102    HD3  PRO  15           HD2      PRO  15  -8.821   2.022  -3.231
  103    H    ASP  16           H        ASP  16 -10.039  -1.548  -2.193
  104    HA   ASP  16           HA       ASP  16 -12.468  -2.957  -1.605
  105    HB2  ASP  16           HB1      ASP  16  -9.861  -3.663  -2.904
  106    HB3  ASP  16           HB2      ASP  16 -10.962  -4.948  -2.414
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -9.044  -2.862  -1.096
    2    HA2  GLY   1           HA1      GLY   1  -9.077  -3.120   1.330
    3    HA3  GLY   1           HA2      GLY   1  -9.930  -4.639   1.090
    4    H    ILE   2           H        ILE   2  -7.457  -4.118  -1.170
    5    HA   ILE   2           HA       ILE   2  -5.790  -6.099   0.203
    6    HB   ILE   2           HB       ILE   2  -5.703  -5.177  -2.672
    7   HG12  ILE   2          HG12      ILE   2  -6.592  -7.867  -1.643
    8   HG13  ILE   2          HG11      ILE   2  -7.723  -6.535  -1.857
    9   HG21  ILE   2          HG21      ILE   2  -3.629  -6.009  -2.594
   10   HG22  ILE   2          HG22      ILE   2  -3.907  -6.808  -1.048
   11   HG23  ILE   2          HG23      ILE   2  -4.416  -7.586  -2.546
   12   HD11  ILE   2          HD11      ILE   2  -6.168  -8.026  -3.933
   13   HD12  ILE   2          HD12      ILE   2  -7.910  -7.778  -3.812
   14   HD13  ILE   2          HD13      ILE   2  -6.857  -6.436  -4.258
   15    H    CYS   3           H        CYS   3  -4.098  -5.388   1.306
   16    HA   CYS   3           HA       CYS   3  -2.935  -2.786   0.647
   17    HB2  CYS   3           HB1      CYS   3  -2.988  -4.515   3.080
   18    HB3  CYS   3           HB2      CYS   3  -1.626  -3.419   2.868
   19    H    PHE   4           H        PHE   4  -1.148  -2.665  -0.522
   20    HA   PHE   4           HA       PHE   4   0.644  -5.004  -0.600
   21    HB2  PHE   4           HB1      PHE   4   1.242  -4.393  -2.862
   22    HB3  PHE   4           HB2      PHE   4  -0.512  -4.494  -2.749
   23    HD1  PHE   4           HD1      PHE   4   2.355  -2.223  -3.056
   24    HD2  PHE   4           HD2      PHE   4  -1.887  -2.563  -3.040
   25    HE1  PHE   4           HE1      PHE   4   2.173   0.058  -3.958
   26    HE2  PHE   4           HE2      PHE   4  -2.077  -0.283  -3.943
   27    HZ   PHE   4           HZ       PHE   4  -0.045   1.032  -4.402
   28    H    LYS   5           H        LYS   5   2.909  -4.610  -0.749
   29    HA   LYS   5           HA       LYS   5   3.697  -2.016   0.401
   30    HB2  LYS   5           HB1      LYS   5   5.757  -3.338   1.157
   31    HB3  LYS   5           HB2      LYS   5   4.240  -3.668   1.981
   32    HG2  LYS   5           HG1      LYS   5   4.003  -5.744   0.997
   33    HG3  LYS   5           HG2      LYS   5   5.065  -5.338  -0.354
   34    HD2  LYS   5           HD1      LYS   5   6.269  -6.839   1.036
   35    HD3  LYS   5           HD2      LYS   5   6.954  -5.237   1.314
   36    HE2  LYS   5           HE2      LYS   5   6.708  -6.265   3.441
   37    HE3  LYS   5           HE1      LYS   5   5.440  -5.049   3.310
   38    HZ1  LYS   5           HZ1      LYS   5   5.205  -7.984   3.197
   39    HZ2  LYS   5           HZ2      LYS   5   4.023  -7.009   2.481
   40    HZ3  LYS   5           HZ3      LYS   5   4.333  -6.881   4.138
   41    H    ASP   6           H        ASP   6   4.146  -0.853  -1.426
   42    HA   ASP   6           HA       ASP   6   5.404  -1.764  -3.736
   43    HB2  ASP   6           HB1      ASP   6   6.103   0.723  -3.952
   44    HB3  ASP   6           HB2      ASP   6   4.386   0.329  -3.932
   45    HA   PRO   7           HA       PRO   7   9.661  -2.245  -2.797
   46    HB2  PRO   7           HB1      PRO   7  10.845  -1.313  -5.056
   47    HB3  PRO   7           HB2      PRO   7   9.969  -2.848  -4.993
   48    HG2  PRO   7           HG1      PRO   7   9.047  -0.180  -5.991
   49    HG3  PRO   7           HG2      PRO   7   8.805  -1.785  -6.702
   50    HD2  PRO   7           HD1      PRO   7   6.885  -0.522  -5.271
   51    HD3  PRO   7           HD2      PRO   7   7.058  -2.289  -5.286
   52    H    PHE   8           H        PHE   8   8.364   0.869  -3.399
   53    HA   PHE   8           HA       PHE   8  10.776   2.358  -2.979
   54    HB2  PHE   8           HB1      PHE   8   7.860   3.080  -3.116
   55    HB3  PHE   8           HB2      PHE   8   9.066   4.269  -2.635
   56    HD1  PHE   8           HD2      PHE   8  11.097   4.525  -4.258
   57    HD2  PHE   8           HD1      PHE   8   7.340   2.845  -5.344
   58    HE1  PHE   8           HE2      PHE   8  11.572   5.002  -6.625
   59    HE2  PHE   8           HE1      PHE   8   7.809   3.319  -7.712
   60    HZ   PHE   8           HZ       PHE   8   9.926   4.400  -8.356
   61    H    GLY   9           H        GLY   9   8.417   0.883  -0.954
   62    HA2  GLY   9           HA1      GLY   9   8.707   0.509   1.351
   63    HA3  GLY   9           HA2      GLY   9   9.863   1.832   1.398
   64    H    SER  10           H        SER  10   6.883   2.398  -0.226
   65    HA   SER  10           HA       SER  10   6.092   4.216   1.930
   66    HB2  SER  10           HB1      SER  10   5.030   4.063  -0.900
   67    HB3  SER  10           HB2      SER  10   4.720   5.342   0.273
   68    HG   SER  10           HG       SER  10   6.381   5.870  -1.246
   69    H    THR  11           H        THR  11   3.930   4.302   2.679
   70    HA   THR  11           HA       THR  11   2.641   1.691   2.710
   71    HB   THR  11           HB       THR  11   1.692   4.101   4.241
   72    HG1  THR  11           HG1      THR  11   3.136   3.436   5.903
   73   HG21  THR  11          HG21      THR  11   0.226   2.608   5.011
   74   HG22  THR  11          HG22      THR  11   1.570   1.734   5.746
   75   HG23  THR  11          HG23      THR  11   1.021   1.307   4.125
   76    H    LEU  12           H        LEU  12   1.190   1.261   1.185
   77    HA   LEU  12           HA       LEU  12  -0.822   3.296   0.550
   78    HB2  LEU  12           HB1      LEU  12   0.989   1.875  -1.341
   79    HB3  LEU  12           HB2      LEU  12  -0.656   2.243  -1.855
   80    HG   LEU  12           HG       LEU  12   1.115   4.407  -0.782
   81   HD11  LEU  12          HD11      LEU  12   1.070   4.276  -3.669
   82   HD12  LEU  12          HD12      LEU  12   1.837   2.853  -2.966
   83   HD13  LEU  12          HD13      LEU  12   2.435   4.463  -2.568
   84   HD21  LEU  12          HD21      LEU  12  -1.291   4.247  -2.574
   85   HD22  LEU  12          HD22      LEU  12  -0.286   5.693  -2.477
   86   HD23  LEU  12          HD23      LEU  12  -1.116   5.096  -1.039
   87    H    CYS  13           H        CYS  13  -2.855   2.499   0.012
   88    HA   CYS  13           HA       CYS  13  -3.224  -0.408   0.066
   89    HB2  CYS  13           HB1      CYS  13  -4.456   1.593   1.938
   90    HB3  CYS  13           HB2      CYS  13  -5.309   0.106   1.538
   91    H    ALA  14           H        ALA  14  -5.234  -1.124  -0.837
   92    HA   ALA  14           HA       ALA  14  -6.254   0.741  -2.851
   93    HB1  ALA  14           HB1      ALA  14  -6.040  -2.213  -2.657
   94    HB2  ALA  14           HB2      ALA  14  -7.367  -1.544  -3.607
   95    HB3  ALA  14           HB3      ALA  14  -5.699  -1.137  -4.013
   96    HA   PRO  15           HA       PRO  15 -10.233   1.200  -1.059
   97    HB2  PRO  15           HB1      PRO  15 -11.865   1.104  -3.226
   98    HB3  PRO  15           HB2      PRO  15 -10.803   2.475  -2.883
   99    HG2  PRO  15           HG1      PRO  15 -10.396   0.189  -4.772
  100    HG3  PRO  15           HG2      PRO  15 -10.066   1.914  -5.016
  101    HD2  PRO  15           HD1      PRO  15  -8.121   0.131  -4.405
  102    HD3  PRO  15           HD2      PRO  15  -8.069   1.823  -3.869
  103    H    ASP  16           H        ASP  16  -9.802  -1.540  -3.226
  104    HA   ASP  16           HA       ASP  16 -12.178  -2.916  -2.593
  105    HB2  ASP  16           HB1      ASP  16 -10.824  -4.955  -3.367
  106    HB3  ASP  16           HB2      ASP  16 -11.049  -3.646  -4.526
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -9.650  -2.351  -0.418
    2    HA2  GLY   1           HA1      GLY   1  -9.197  -3.324   1.644
    3    HA3  GLY   1           HA2      GLY   1 -10.046  -4.770   1.115
    4    H    ILE   2           H        ILE   2  -7.660  -3.586  -1.031
    5    HA   ILE   2           HA       ILE   2  -5.936  -5.850  -0.331
    6    HB   ILE   2           HB       ILE   2  -5.946  -4.136  -2.818
    7   HG12  ILE   2          HG12      ILE   2  -7.944  -5.551  -2.623
    8   HG13  ILE   2          HG11      ILE   2  -6.893  -6.117  -3.917
    9   HG21  ILE   2          HG21      ILE   2  -4.621  -6.437  -3.441
   10   HG22  ILE   2          HG22      ILE   2  -3.853  -4.908  -3.017
   11   HG23  ILE   2          HG23      ILE   2  -4.089  -6.148  -1.786
   12   HD11  ILE   2          HD11      ILE   2  -6.072  -7.520  -1.662
   13   HD12  ILE   2          HD12      ILE   2  -7.834  -7.498  -1.580
   14   HD13  ILE   2          HD13      ILE   2  -7.026  -8.130  -3.015
   15    H    CYS   3           H        CYS   3  -4.093  -5.530   0.717
   16    HA   CYS   3           HA       CYS   3  -2.841  -2.867   0.582
   17    HB2  CYS   3           HB1      CYS   3  -3.402  -4.643   2.913
   18    HB3  CYS   3           HB2      CYS   3  -1.930  -3.677   2.940
   19    H    PHE   4           H        PHE   4  -0.820  -2.830  -0.146
   20    HA   PHE   4           HA       PHE   4   0.890  -5.175   0.193
   21    HB2  PHE   4           HB1      PHE   4   1.622  -4.942  -2.223
   22    HB3  PHE   4           HB2      PHE   4   0.009  -5.603  -1.977
   23    HD1  PHE   4           HD1      PHE   4   1.874  -2.555  -2.910
   24    HD2  PHE   4           HD2      PHE   4  -1.894  -4.534  -2.854
   25    HE1  PHE   4           HE1      PHE   4   0.944  -0.818  -4.384
   26    HE2  PHE   4           HE2      PHE   4  -2.829  -2.802  -4.329
   27    HZ   PHE   4           HZ       PHE   4  -1.411  -0.940  -5.095
   28    H    LYS   5           H        LYS   5   3.075  -4.723   0.284
   29    HA   LYS   5           HA       LYS   5   3.735  -1.945   0.794
   30    HB2  LYS   5           HB1      LYS   5   5.044  -4.579   1.299
   31    HB3  LYS   5           HB2      LYS   5   6.059  -3.144   1.237
   32    HG2  LYS   5           HG1      LYS   5   4.507  -2.129   2.952
   33    HG3  LYS   5           HG2      LYS   5   3.807  -3.740   3.133
   34    HD2  LYS   5           HD1      LYS   5   5.400  -3.761   4.793
   35    HD3  LYS   5           HD2      LYS   5   6.306  -4.459   3.449
   36    HE2  LYS   5           HE2      LYS   5   7.798  -2.888   4.207
   37    HE3  LYS   5           HE1      LYS   5   6.939  -1.961   2.979
   38    HZ1  LYS   5           HZ1      LYS   5   6.966  -1.639   5.855
   39    HZ2  LYS   5           HZ2      LYS   5   5.438  -1.495   5.142
   40    HZ3  LYS   5           HZ3      LYS   5   6.705  -0.492   4.638
   41    H    ASP   6           H        ASP   6   4.133  -0.739  -0.953
   42    HA   ASP   6           HA       ASP   6   5.054  -1.678  -3.429
   43    HB2  ASP   6           HB1      ASP   6   4.752   0.995  -2.155
   44    HB3  ASP   6           HB2      ASP   6   5.771   0.889  -3.589
   45    HA   PRO   7           HA       PRO   7   9.409  -2.046  -3.072
   46    HB2  PRO   7           HB1      PRO   7  10.282  -1.009  -5.424
   47    HB3  PRO   7           HB2      PRO   7   9.455  -2.567  -5.308
   48    HG2  PRO   7           HG1      PRO   7   8.359   0.107  -6.089
   49    HG3  PRO   7           HG2      PRO   7   8.064  -1.480  -6.823
   50    HD2  PRO   7           HD1      PRO   7   6.310  -0.314  -5.121
   51    HD3  PRO   7           HD2      PRO   7   6.518  -2.075  -5.220
   52    H    PHE   8           H        PHE   8   8.000   1.071  -3.479
   53    HA   PHE   8           HA       PHE   8  10.420   2.585  -3.258
   54    HB2  PHE   8           HB1      PHE   8   7.585   3.495  -2.725
   55    HB3  PHE   8           HB2      PHE   8   8.976   4.520  -3.064
   56    HD1  PHE   8           HD2      PHE   8  10.233   3.227  -5.329
   57    HD2  PHE   8           HD1      PHE   8   6.100   3.767  -4.463
   58    HE1  PHE   8           HE2      PHE   8   9.719   3.127  -7.733
   59    HE2  PHE   8           HE1      PHE   8   5.581   3.667  -6.866
   60    HZ   PHE   8           HZ       PHE   8   7.392   3.348  -8.504
   61    H    GLY   9           H        GLY   9   8.294   1.033  -1.042
   62    HA2  GLY   9           HA1      GLY   9   9.125   0.613   1.198
   63    HA3  GLY   9           HA2      GLY   9   9.811   2.231   1.187
   64    H    SER  10           H        SER  10   7.491   3.525   0.080
   65    HA   SER  10           HA       SER  10   6.122   4.157   2.440
   66    HB2  SER  10           HB1      SER  10   6.323   5.552   0.306
   67    HB3  SER  10           HB2      SER  10   4.996   4.580  -0.328
   68    HG   SER  10           HG       SER  10   4.418   6.609   0.764
   69    H    THR  11           H        THR  11   3.786   3.929   2.837
   70    HA   THR  11           HA       THR  11   2.933   1.190   2.249
   71    HB   THR  11           HB       THR  11   1.777   3.108   4.280
   72    HG1  THR  11           HG1      THR  11   2.987   1.595   5.727
   73   HG21  THR  11          HG21      THR  11   1.166   0.346   3.441
   74   HG22  THR  11          HG22      THR  11   0.127   1.563   4.184
   75   HG23  THR  11          HG23      THR  11   1.235   0.619   5.180
   76    H    LEU  12           H        LEU  12   1.520   0.884   0.668
   77    HA   LEU  12           HA       LEU  12  -0.477   2.985   0.139
   78    HB2  LEU  12           HB1      LEU  12   1.235   1.399  -1.698
   79    HB3  LEU  12           HB2      LEU  12  -0.403   1.782  -2.224
   80    HG   LEU  12           HG       LEU  12   1.241   3.373  -3.095
   81   HD11  LEU  12          HD11      LEU  12  -0.320   4.916  -1.082
   82   HD12  LEU  12          HD12      LEU  12  -1.179   3.955  -2.285
   83   HD13  LEU  12          HD13      LEU  12  -0.073   5.228  -2.801
   84   HD21  LEU  12          HD21      LEU  12   2.606   4.705  -1.769
   85   HD22  LEU  12          HD22      LEU  12   2.700   3.129  -0.981
   86   HD23  LEU  12          HD23      LEU  12   1.664   4.390  -0.311
   87    H    CYS  13           H        CYS  13  -2.576   2.376  -0.095
   88    HA   CYS  13           HA       CYS  13  -3.180  -0.502  -0.014
   89    HB2  CYS  13           HB1      CYS  13  -4.176   1.672   1.795
   90    HB3  CYS  13           HB2      CYS  13  -5.200   0.281   1.453
   91    H    ALA  14           H        ALA  14  -5.282  -1.079  -0.827
   92    HA   ALA  14           HA       ALA  14  -6.238   0.833  -2.846
   93    HB1  ALA  14           HB1      ALA  14  -5.552  -1.888  -3.018
   94    HB2  ALA  14           HB2      ALA  14  -7.302  -1.798  -3.219
   95    HB3  ALA  14           HB3      ALA  14  -6.243  -0.864  -4.276
   96    HA   PRO  15           HA       PRO  15 -10.200   1.242  -1.006
   97    HB2  PRO  15           HB1      PRO  15 -11.850   1.229  -3.161
   98    HB3  PRO  15           HB2      PRO  15 -10.780   2.583  -2.778
   99    HG2  PRO  15           HG1      PRO  15 -10.397   0.366  -4.752
  100    HG3  PRO  15           HG2      PRO  15 -10.063   2.097  -4.936
  101    HD2  PRO  15           HD1      PRO  15  -8.120   0.287  -4.405
  102    HD3  PRO  15           HD2      PRO  15  -8.057   1.957  -3.810
  103    H    ASP  16           H        ASP  16  -9.637  -1.486  -3.102
  104    HA   ASP  16           HA       ASP  16 -12.005  -2.869  -2.080
  105    HB2  ASP  16           HB1      ASP  16 -11.815  -4.352  -3.873
  106    HB3  ASP  16           HB2      ASP  16 -11.276  -2.828  -4.571
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -9.191  -2.264  -0.437
    2    HA2  GLY   1           HA1      GLY   1  -9.210  -2.986   1.867
    3    HA3  GLY   1           HA2      GLY   1 -10.027  -4.454   1.351
    4    H    ILE   2           H        ILE   2  -8.044  -4.449  -1.008
    5    HA   ILE   2           HA       ILE   2  -6.168  -6.223   0.221
    6    HB   ILE   2           HB       ILE   2  -6.082  -5.106  -2.582
    7   HG12  ILE   2          HG12      ILE   2  -7.422  -7.620  -1.562
    8   HG13  ILE   2          HG11      ILE   2  -8.255  -6.166  -2.103
    9   HG21  ILE   2          HG21      ILE   2  -4.829  -7.165  -3.074
   10   HG22  ILE   2          HG22      ILE   2  -4.006  -6.147  -1.894
   11   HG23  ILE   2          HG23      ILE   2  -4.877  -7.586  -1.363
   12   HD11  ILE   2          HD11      ILE   2  -6.785  -8.209  -3.699
   13   HD12  ILE   2          HD12      ILE   2  -8.396  -7.533  -3.945
   14   HD13  ILE   2          HD13      ILE   2  -6.967  -6.568  -4.316
   15    H    CYS   3           H        CYS   3  -4.411  -5.617   1.281
   16    HA   CYS   3           HA       CYS   3  -3.199  -3.014   0.674
   17    HB2  CYS   3           HB1      CYS   3  -3.285  -4.757   3.100
   18    HB3  CYS   3           HB2      CYS   3  -1.915  -3.671   2.891
   19    H    PHE   4           H        PHE   4  -1.253  -2.859  -0.246
   20    HA   PHE   4           HA       PHE   4   0.481  -5.231  -0.296
   21    HB2  PHE   4           HB1      PHE   4   1.079  -4.592  -2.671
   22    HB3  PHE   4           HB2      PHE   4  -0.539  -5.250  -2.449
   23    HD1  PHE   4           HD2      PHE   4  -2.499  -3.835  -2.667
   24    HD2  PHE   4           HD1      PHE   4   1.420  -2.292  -3.283
   25    HE1  PHE   4           HE2      PHE   4  -3.456  -1.847  -3.757
   26    HE2  PHE   4           HE1      PHE   4   0.468  -0.301  -4.374
   27    HZ   PHE   4           HZ       PHE   4  -1.972  -0.078  -4.612
   28    H    LYS   5           H        LYS   5   2.736  -4.772  -0.665
   29    HA   LYS   5           HA       LYS   5   3.481  -2.127   0.362
   30    HB2  LYS   5           HB1      LYS   5   5.047  -4.711   0.249
   31    HB3  LYS   5           HB2      LYS   5   5.660  -3.194   0.894
   32    HG2  LYS   5           HG1      LYS   5   4.031  -3.225   2.659
   33    HG3  LYS   5           HG2      LYS   5   3.251  -4.648   1.966
   34    HD2  LYS   5           HD1      LYS   5   6.150  -4.780   2.655
   35    HD3  LYS   5           HD2      LYS   5   4.957  -4.877   3.952
   36    HE2  LYS   5           HE2      LYS   5   3.839  -6.674   2.469
   37    HE3  LYS   5           HE1      LYS   5   5.394  -6.733   1.641
   38    HZ1  LYS   5           HZ1      LYS   5   5.232  -8.390   3.405
   39    HZ2  LYS   5           HZ2      LYS   5   4.988  -7.169   4.551
   40    HZ3  LYS   5           HZ3      LYS   5   6.462  -7.273   3.726
   41    H    ASP   6           H        ASP   6   4.628  -0.716  -0.817
   42    HA   ASP   6           HA       ASP   6   5.212  -1.403  -3.581
   43    HB2  ASP   6           HB1      ASP   6   4.928   1.121  -2.026
   44    HB3  ASP   6           HB2      ASP   6   5.951   1.158  -3.460
   45    HA   PRO   7           HA       PRO   7   9.559  -1.851  -3.222
   46    HB2  PRO   7           HB1      PRO   7  10.468  -0.575  -5.439
   47    HB3  PRO   7           HB2      PRO   7   9.625  -2.128  -5.502
   48    HG2  PRO   7           HG1      PRO   7   8.561   0.627  -5.998
   49    HG3  PRO   7           HG2      PRO   7   8.261  -0.868  -6.903
   50    HD2  PRO   7           HD1      PRO   7   6.499   0.124  -5.101
   51    HD3  PRO   7           HD2      PRO   7   6.692  -1.618  -5.389
   52    H    PHE   8           H        PHE   8   8.200   1.322  -3.356
   53    HA   PHE   8           HA       PHE   8  10.659   2.727  -2.862
   54    HB2  PHE   8           HB1      PHE   8   7.761   3.572  -2.751
   55    HB3  PHE   8           HB2      PHE   8   9.098   4.666  -2.409
   56    HD1  PHE   8           HD1      PHE   8   7.634   2.495  -5.027
   57    HD2  PHE   8           HD2      PHE   8  10.253   5.731  -4.142
   58    HE1  PHE   8           HE1      PHE   8   7.844   2.978  -7.430
   59    HE2  PHE   8           HE2      PHE   8  10.466   6.221  -6.543
   60    HZ   PHE   8           HZ       PHE   8   9.260   4.844  -8.191
   61    H    GLY   9           H        GLY   9   8.296   1.107  -0.958
   62    HA2  GLY   9           HA1      GLY   9   8.833   0.485   1.302
   63    HA3  GLY   9           HA2      GLY   9   9.698   2.006   1.471
   64    H    SER  10           H        SER  10   7.347   3.319   0.028
   65    HA   SER  10           HA       SER  10   6.007   4.216   2.343
   66    HB2  SER  10           HB1      SER  10   4.373   5.182   0.563
   67    HB3  SER  10           HB2      SER  10   6.036   5.769   0.595
   68    HG   SER  10           HG       SER  10   5.062   5.073  -1.513
   69    H    THR  11           H        THR  11   3.757   4.013   2.875
   70    HA   THR  11           HA       THR  11   2.777   1.304   2.411
   71    HB   THR  11           HB       THR  11   1.731   3.421   4.301
   72    HG1  THR  11           HG1      THR  11   3.378   2.828   5.477
   73   HG21  THR  11          HG21      THR  11   0.880   1.138   5.364
   74   HG22  THR  11          HG22      THR  11   0.926   0.629   3.677
   75   HG23  THR  11          HG23      THR  11  -0.061   2.010   4.154
   76    H    LEU  12           H        LEU  12   1.490   1.000   0.719
   77    HA   LEU  12           HA       LEU  12  -0.618   2.984   0.194
   78    HB2  LEU  12           HB1      LEU  12   1.423   2.841  -1.442
   79    HB3  LEU  12           HB2      LEU  12   0.580   1.414  -2.042
   80    HG   LEU  12           HG       LEU  12  -0.684   4.146  -1.907
   81   HD11  LEU  12          HD11      LEU  12  -0.190   3.497  -4.567
   82   HD12  LEU  12          HD12      LEU  12   1.317   3.140  -3.724
   83   HD13  LEU  12          HD13      LEU  12   0.602   4.749  -3.612
   84   HD21  LEU  12          HD21      LEU  12  -1.996   2.891  -3.829
   85   HD22  LEU  12          HD22      LEU  12  -2.443   2.710  -2.133
   86   HD23  LEU  12          HD23      LEU  12  -1.474   1.469  -2.927
   87    H    CYS  13           H        CYS  13  -2.567   2.124   0.395
   88    HA   CYS  13           HA       CYS  13  -2.881  -0.771  -0.051
   89    HB2  CYS  13           HB1      CYS  13  -4.252   1.115   1.854
   90    HB3  CYS  13           HB2      CYS  13  -4.965  -0.436   1.425
   91    H    ALA  14           H        ALA  14  -4.759  -1.516  -1.111
   92    HA   ALA  14           HA       ALA  14  -5.703   0.271  -3.167
   93    HB1  ALA  14           HB1      ALA  14  -7.041  -2.307  -3.018
   94    HB2  ALA  14           HB2      ALA  14  -6.102  -1.591  -4.329
   95    HB3  ALA  14           HB3      ALA  14  -5.283  -2.446  -3.022
   96    HA   PRO  15           HA       PRO  15  -9.572   1.477  -1.486
   97    HB2  PRO  15           HB1      PRO  15 -11.214   1.347  -3.644
   98    HB3  PRO  15           HB2      PRO  15  -9.972   2.592  -3.455
   99    HG2  PRO  15           HG1      PRO  15  -9.890   0.064  -5.055
  100    HG3  PRO  15           HG2      PRO  15  -9.330   1.686  -5.498
  101    HD2  PRO  15           HD1      PRO  15  -7.643  -0.259  -4.658
  102    HD3  PRO  15           HD2      PRO  15  -7.358   1.462  -4.326
  103    H    ASP  16           H        ASP  16  -9.336  -1.608  -3.067
  104    HA   ASP  16           HA       ASP  16 -11.922  -2.592  -2.523
  105    HB2  ASP  16           HB1      ASP  16  -9.275  -3.958  -2.996
  106    HB3  ASP  16           HB2      ASP  16 -10.761  -4.862  -2.717
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -9.395  -2.409  -0.585
    2    HA2  GLY   1           HA1      GLY   1  -9.596  -3.109   1.725
    3    HA3  GLY   1           HA2      GLY   1 -10.270  -4.626   1.151
    4    H    ILE   2           H        ILE   2  -8.090  -4.511  -1.021
    5    HA   ILE   2           HA       ILE   2  -6.225  -6.159   0.386
    6    HB   ILE   2           HB       ILE   2  -4.980  -6.168  -1.795
    7   HG12  ILE   2          HG12      ILE   2  -7.375  -4.705  -2.895
    8   HG13  ILE   2          HG11      ILE   2  -5.901  -3.861  -2.431
    9   HG21  ILE   2          HG21      ILE   2  -6.249  -7.997  -1.923
   10   HG22  ILE   2          HG22      ILE   2  -7.648  -7.174  -1.237
   11   HG23  ILE   2          HG23      ILE   2  -7.313  -7.050  -2.964
   12   HD11  ILE   2          HD11      ILE   2  -5.708  -4.202  -4.729
   13   HD12  ILE   2          HD12      ILE   2  -4.699  -5.456  -4.009
   14   HD13  ILE   2          HD13      ILE   2  -6.302  -5.859  -4.624
   15    H    CYS   3           H        CYS   3  -4.030  -5.786   0.769
   16    HA   CYS   3           HA       CYS   3  -3.154  -2.982   0.582
   17    HB2  CYS   3           HB1      CYS   3  -3.237  -4.788   2.946
   18    HB3  CYS   3           HB2      CYS   3  -1.843  -3.724   2.790
   19    H    PHE   4           H        PHE   4  -1.111  -2.650  -0.115
   20    HA   PHE   4           HA       PHE   4   0.789  -4.852  -0.181
   21    HB2  PHE   4           HB1      PHE   4   1.233  -4.596  -2.581
   22    HB3  PHE   4           HB2      PHE   4  -0.433  -5.088  -2.295
   23    HD1  PHE   4           HD2      PHE   4  -2.268  -3.476  -2.585
   24    HD2  PHE   4           HD1      PHE   4   1.754  -2.504  -3.581
   25    HE1  PHE   4           HE2      PHE   4  -3.063  -1.565  -3.917
   26    HE2  PHE   4           HE1      PHE   4   0.967  -0.592  -4.913
   27    HZ   PHE   4           HZ       PHE   4  -1.444  -0.119  -5.082
   28    H    LYS   5           H        LYS   5   2.830  -4.180   0.120
   29    HA   LYS   5           HA       LYS   5   3.284  -1.326   0.432
   30    HB2  LYS   5           HB1      LYS   5   5.373  -1.965   1.498
   31    HB3  LYS   5           HB2      LYS   5   4.043  -2.891   2.180
   32    HG2  LYS   5           HG1      LYS   5   4.711  -4.711   0.501
   33    HG3  LYS   5           HG2      LYS   5   6.216  -3.805   0.334
   34    HD2  LYS   5           HD1      LYS   5   5.242  -4.463   3.071
   35    HD3  LYS   5           HD2      LYS   5   5.975  -5.745   2.105
   36    HE2  LYS   5           HE2      LYS   5   8.026  -4.625   1.972
   37    HE3  LYS   5           HE1      LYS   5   7.318  -3.084   2.456
   38    HZ1  LYS   5           HZ1      LYS   5   8.680  -4.542   4.133
   39    HZ2  LYS   5           HZ2      LYS   5   7.193  -5.319   4.344
   40    HZ3  LYS   5           HZ3      LYS   5   7.330  -3.660   4.645
   41    H    ASP   6           H        ASP   6   4.369  -0.082  -0.957
   42    HA   ASP   6           HA       ASP   6   5.154  -1.096  -3.497
   43    HB2  ASP   6           HB1      ASP   6   5.161   1.561  -2.155
   44    HB3  ASP   6           HB2      ASP   6   6.223   1.351  -3.544
   45    HA   PRO   7           HA       PRO   7   9.394  -2.072  -2.957
   46    HB2  PRO   7           HB1      PRO   7  10.514  -1.112  -5.237
   47    HB3  PRO   7           HB2      PRO   7   9.476  -2.543  -5.204
   48    HG2  PRO   7           HG1      PRO   7   8.796   0.275  -5.953
   49    HG3  PRO   7           HG2      PRO   7   8.322  -1.238  -6.746
   50    HD2  PRO   7           HD1      PRO   7   6.665   0.120  -5.089
   51    HD3  PRO   7           HD2      PRO   7   6.634  -1.650  -5.231
   52    H    PHE   8           H        PHE   8   8.469   1.229  -3.389
   53    HA   PHE   8           HA       PHE   8  11.064   2.365  -2.971
   54    HB2  PHE   8           HB1      PHE   8   8.330   3.636  -2.702
   55    HB3  PHE   8           HB2      PHE   8   9.864   4.498  -2.774
   56    HD1  PHE   8           HD2      PHE   8  11.317   4.008  -4.897
   57    HD2  PHE   8           HD1      PHE   8   7.121   3.345  -4.635
   58    HE1  PHE   8           HE2      PHE   8  11.154   4.096  -7.350
   59    HE2  PHE   8           HE1      PHE   8   6.951   3.431  -7.088
   60    HZ   PHE   8           HZ       PHE   8   8.968   3.806  -8.449
   61    H    GLY   9           H        GLY   9   8.578   1.130  -0.940
   62    HA2  GLY   9           HA1      GLY   9   9.275   0.587   1.349
   63    HA3  GLY   9           HA2      GLY   9  10.031   2.171   1.413
   64    H    SER  10           H        SER  10   7.567   3.190  -0.105
   65    HA   SER  10           HA       SER  10   6.147   4.045   2.219
   66    HB2  SER  10           HB1      SER  10   4.617   5.128   0.509
   67    HB3  SER  10           HB2      SER  10   6.312   5.601   0.414
   68    HG   SER  10           HG       SER  10   5.885   5.107  -1.631
   69    H    THR  11           H        THR  11   4.007   3.617   2.806
   70    HA   THR  11           HA       THR  11   3.088   0.958   2.051
   71    HB   THR  11           HB       THR  11   3.185   1.481   4.437
   72    HG1  THR  11           HG1      THR  11   0.971   0.905   4.901
   73   HG21  THR  11          HG21      THR  11   0.884   3.231   4.566
   74   HG22  THR  11          HG22      THR  11   2.206   3.973   3.663
   75   HG23  THR  11          HG23      THR  11   2.471   3.407   5.312
   76    H    LEU  12           H        LEU  12   1.378   0.560   0.790
   77    HA   LEU  12           HA       LEU  12  -0.508   2.743   0.235
   78    HB2  LEU  12           HB1      LEU  12   1.344   2.182  -1.557
   79    HB3  LEU  12           HB2      LEU  12   0.239   0.868  -1.954
   80    HG   LEU  12           HG       LEU  12  -1.544   2.567  -2.337
   81   HD11  LEU  12          HD11      LEU  12  -0.310   4.898  -2.838
   82   HD12  LEU  12          HD12      LEU  12   0.637   4.346  -1.457
   83   HD13  LEU  12          HD13      LEU  12  -1.112   4.527  -1.311
   84   HD21  LEU  12          HD21      LEU  12   0.648   3.391  -4.136
   85   HD22  LEU  12          HD22      LEU  12  -0.959   2.768  -4.511
   86   HD23  LEU  12          HD23      LEU  12   0.327   1.661  -4.031
   87    H    CYS  13           H        CYS  13  -2.625   2.118  -0.226
   88    HA   CYS  13           HA       CYS  13  -3.252  -0.739  -0.063
   89    HB2  CYS  13           HB1      CYS  13  -4.254   1.417   1.780
   90    HB3  CYS  13           HB2      CYS  13  -5.210  -0.031   1.479
   91    H    ALA  14           H        ALA  14  -5.154  -1.352  -1.088
   92    HA   ALA  14           HA       ALA  14  -6.161   0.585  -3.019
   93    HB1  ALA  14           HB1      ALA  14  -7.287  -2.109  -3.118
   94    HB2  ALA  14           HB2      ALA  14  -6.508  -1.155  -4.382
   95    HB3  ALA  14           HB3      ALA  14  -5.527  -2.068  -3.235
   96    HA   PRO  15           HA       PRO  15 -10.067   1.303  -1.154
   97    HB2  PRO  15           HB1      PRO  15 -11.752   1.276  -3.283
   98    HB3  PRO  15           HB2      PRO  15 -10.602   2.585  -2.984
   99    HG2  PRO  15           HG1      PRO  15 -10.376   0.253  -4.848
  100    HG3  PRO  15           HG2      PRO  15  -9.949   1.952  -5.125
  101    HD2  PRO  15           HD1      PRO  15  -8.101   0.062  -4.530
  102    HD3  PRO  15           HD2      PRO  15  -7.934   1.756  -4.021
  103    H    ASP  16           H        ASP  16  -9.719  -1.544  -3.149
  104    HA   ASP  16           HA       ASP  16 -12.138  -2.740  -2.024
  105    HB2  ASP  16           HB1      ASP  16 -11.903  -4.456  -3.678
  106    HB3  ASP  16           HB2      ASP  16 -11.623  -2.914  -4.482
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -9.508  -2.720   0.082
    2    HA2  GLY   1           HA1      GLY   1  -9.152  -3.869   2.189
    3    HA3  GLY   1           HA2      GLY   1  -9.809  -5.318   1.445
    4    H    ILE   2           H        ILE   2  -8.166  -4.509  -1.033
    5    HA   ILE   2           HA       ILE   2  -5.869  -6.099  -0.332
    6    HB   ILE   2           HB       ILE   2  -6.523  -4.710  -2.933
    7   HG12  ILE   2          HG12      ILE   2  -6.848  -7.633  -2.243
    8   HG13  ILE   2          HG11      ILE   2  -8.159  -6.465  -2.111
    9   HG21  ILE   2          HG21      ILE   2  -4.262  -5.124  -3.098
   10   HG22  ILE   2          HG22      ILE   2  -4.347  -6.569  -2.090
   11   HG23  ILE   2          HG23      ILE   2  -4.941  -6.616  -3.750
   12   HD11  ILE   2          HD11      ILE   2  -8.019  -6.013  -4.488
   13   HD12  ILE   2          HD12      ILE   2  -6.664  -7.133  -4.635
   14   HD13  ILE   2          HD13      ILE   2  -8.261  -7.735  -4.191
   15    H    CYS   3           H        CYS   3  -3.787  -5.453  -0.090
   16    HA   CYS   3           HA       CYS   3  -3.252  -2.561  -0.277
   17    HB2  CYS   3           HB1      CYS   3  -2.624  -4.529   1.876
   18    HB3  CYS   3           HB2      CYS   3  -1.470  -3.235   1.571
   19    H    PHE   4           H        PHE   4  -0.972  -2.001  -0.622
   20    HA   PHE   4           HA       PHE   4   0.541  -4.107  -2.009
   21    HB2  PHE   4           HB1      PHE   4   0.266  -1.263  -2.999
   22    HB3  PHE   4           HB2      PHE   4   1.130  -2.577  -3.791
   23    HD1  PHE   4           HD2      PHE   4  -0.435  -4.749  -4.142
   24    HD2  PHE   4           HD1      PHE   4  -1.771  -0.716  -3.874
   25    HE1  PHE   4           HE2      PHE   4  -2.477  -5.346  -5.378
   26    HE2  PHE   4           HE1      PHE   4  -3.816  -1.308  -5.108
   27    HZ   PHE   4           HZ       PHE   4  -4.170  -3.625  -5.864
   28    H    LYS   5           H        LYS   5   2.705  -4.119  -1.664
   29    HA   LYS   5           HA       LYS   5   3.814  -1.938  -0.020
   30    HB2  LYS   5           HB1      LYS   5   4.115  -4.914   0.237
   31    HB3  LYS   5           HB2      LYS   5   5.372  -3.840   0.837
   32    HG2  LYS   5           HG1      LYS   5   3.841  -2.796   2.356
   33    HG3  LYS   5           HG2      LYS   5   2.483  -3.688   1.667
   34    HD2  LYS   5           HD1      LYS   5   3.049  -4.814   3.665
   35    HD3  LYS   5           HD2      LYS   5   3.700  -5.802   2.355
   36    HE2  LYS   5           HE2      LYS   5   5.901  -4.670   2.709
   37    HE3  LYS   5           HE1      LYS   5   5.210  -3.891   4.131
   38    HZ1  LYS   5           HZ1      LYS   5   4.652  -6.289   4.832
   39    HZ2  LYS   5           HZ2      LYS   5   6.244  -5.743   5.004
   40    HZ3  LYS   5           HZ3      LYS   5   5.829  -6.739   3.702
   41    H    ASP   6           H        ASP   6   5.128  -0.805  -1.294
   42    HA   ASP   6           HA       ASP   6   6.626  -2.112  -3.416
   43    HB2  ASP   6           HB1      ASP   6   5.981   0.707  -2.690
   44    HB3  ASP   6           HB2      ASP   6   7.435   0.412  -3.639
   45    HA   PRO   7           HA       PRO   7  10.508  -2.357  -1.392
   46    HB2  PRO   7           HB1      PRO   7  12.240  -1.621  -3.349
   47    HB3  PRO   7           HB2      PRO   7  11.378  -3.164  -3.360
   48    HG2  PRO   7           HG1      PRO   7  10.749  -0.633  -4.829
   49    HG3  PRO   7           HG2      PRO   7  10.700  -2.307  -5.412
   50    HD2  PRO   7           HD1      PRO   7   8.474  -0.959  -4.664
   51    HD3  PRO   7           HD2      PRO   7   8.644  -2.713  -4.453
   52    H    PHE   8           H        PHE   8   9.516   0.661  -2.759
   53    HA   PHE   8           HA       PHE   8  11.709   2.215  -1.772
   54    HB2  PHE   8           HB1      PHE   8   9.030   2.857  -2.962
   55    HB3  PHE   8           HB2      PHE   8   9.990   4.127  -2.212
   56    HD1  PHE   8           HD1      PHE   8  10.041   1.541  -4.862
   57    HD2  PHE   8           HD2      PHE   8  11.755   5.138  -3.364
   58    HE1  PHE   8           HE1      PHE   8  11.321   1.797  -6.948
   59    HE2  PHE   8           HE2      PHE   8  13.037   5.400  -5.447
   60    HZ   PHE   8           HZ       PHE   8  12.822   3.728  -7.243
   61    H    GLY   9           H        GLY   9   8.785   0.987  -0.437
   62    HA2  GLY   9           HA1      GLY   9   8.576   0.907   1.970
   63    HA3  GLY   9           HA2      GLY   9   9.331   2.492   2.038
   64    H    SER  10           H        SER  10   7.497   3.066  -0.426
   65    HA   SER  10           HA       SER  10   5.587   4.581   0.919
   66    HB2  SER  10           HB1      SER  10   4.366   4.353  -1.423
   67    HB3  SER  10           HB2      SER  10   5.854   5.285  -1.260
   68    HG   SER  10           HG       SER  10   6.756   3.941  -2.582
   69    H    THR  11           H        THR  11   3.611   4.189   1.723
   70    HA   THR  11           HA       THR  11   2.675   1.422   1.714
   71    HB   THR  11           HB       THR  11   1.623   3.756   3.321
   72    HG1  THR  11           HG1      THR  11   3.288   3.433   4.572
   73   HG21  THR  11          HG21      THR  11   1.056   0.820   3.271
   74   HG22  THR  11          HG22      THR  11  -0.064   2.176   3.397
   75   HG23  THR  11          HG23      THR  11   0.917   1.710   4.786
   76    H    LEU  12           H        LEU  12   1.234   0.824   0.243
   77    HA   LEU  12           HA       LEU  12  -0.748   2.804  -0.672
   78    HB2  LEU  12           HB1      LEU  12   0.871   0.797  -2.133
   79    HB3  LEU  12           HB2      LEU  12  -0.787   1.045  -2.677
   80    HG   LEU  12           HG       LEU  12   0.880   2.360  -3.947
   81   HD11  LEU  12          HD11      LEU  12  -0.911   3.618  -4.312
   82   HD12  LEU  12          HD12      LEU  12  -0.401   4.643  -2.970
   83   HD13  LEU  12          HD13      LEU  12  -1.524   3.314  -2.685
   84   HD21  LEU  12          HD21      LEU  12   2.392   2.743  -1.988
   85   HD22  LEU  12          HD22      LEU  12   1.233   3.939  -1.404
   86   HD23  LEU  12          HD23      LEU  12   2.051   4.182  -2.949
   87    H    CYS  13           H        CYS  13  -2.858   2.274  -0.560
   88    HA   CYS  13           HA       CYS  13  -3.614  -0.509  -0.075
   89    HB2  CYS  13           HB1      CYS  13  -3.958   1.765   1.814
   90    HB3  CYS  13           HB2      CYS  13  -5.289   0.621   1.673
   91    H    ALA  14           H        ALA  14  -5.659  -1.056  -0.782
   92    HA   ALA  14           HA       ALA  14  -6.983   0.983  -2.434
   93    HB1  ALA  14           HB1      ALA  14  -7.188  -0.577  -4.000
   94    HB2  ALA  14           HB2      ALA  14  -6.217  -1.650  -2.990
   95    HB3  ALA  14           HB3      ALA  14  -7.977  -1.678  -2.872
   96    HA   PRO  15           HA       PRO  15 -10.634   1.032   0.000
   97    HB2  PRO  15           HB1      PRO  15 -12.589   1.132  -1.880
   98    HB3  PRO  15           HB2      PRO  15 -11.521   2.498  -1.531
   99    HG2  PRO  15           HG1      PRO  15 -11.363   0.485  -3.742
  100    HG3  PRO  15           HG2      PRO  15 -11.121   2.241  -3.808
  101    HD2  PRO  15           HD1      PRO  15  -9.059   0.487  -3.744
  102    HD3  PRO  15           HD2      PRO  15  -8.964   2.099  -3.007
  103    H    ASP  16           H        ASP  16 -10.111  -1.536  -2.227
  104    HA   ASP  16           HA       ASP  16 -12.438  -3.066  -1.728
  105    HB2  ASP  16           HB1      ASP  16  -9.688  -3.804  -2.724
  106    HB3  ASP  16           HB2      ASP  16 -10.984  -4.985  -2.560
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -9.484  -2.656  -0.505
    2    HA2  GLY   1           HA1      GLY   1  -9.321  -3.716   1.642
    3    HA3  GLY   1           HA2      GLY   1 -10.047  -5.156   0.943
    4    H    ILE   2           H        ILE   2  -7.702  -3.708  -1.042
    5    HA   ILE   2           HA       ILE   2  -5.826  -5.864  -0.388
    6    HB   ILE   2           HB       ILE   2  -5.853  -4.047  -2.802
    7   HG12  ILE   2          HG12      ILE   2  -7.832  -5.478  -2.762
    8   HG13  ILE   2          HG11      ILE   2  -6.717  -6.018  -4.012
    9   HG21  ILE   2          HG21      ILE   2  -3.662  -4.801  -2.589
   10   HG22  ILE   2          HG22      ILE   2  -4.163  -6.382  -1.991
   11   HG23  ILE   2          HG23      ILE   2  -4.391  -5.970  -3.691
   12   HD11  ILE   2          HD11      ILE   2  -6.743  -8.046  -3.143
   13   HD12  ILE   2          HD12      ILE   2  -6.094  -7.414  -1.630
   14   HD13  ILE   2          HD13      ILE   2  -7.838  -7.496  -1.876
   15    H    CYS   3           H        CYS   3  -3.893  -5.489   0.501
   16    HA   CYS   3           HA       CYS   3  -2.866  -2.734   0.534
   17    HB2  CYS   3           HB1      CYS   3  -3.387  -4.561   2.838
   18    HB3  CYS   3           HB2      CYS   3  -1.985  -3.500   2.915
   19    H    PHE   4           H        PHE   4  -0.900  -2.638  -0.305
   20    HA   PHE   4           HA       PHE   4   0.949  -4.876   0.122
   21    HB2  PHE   4           HB1      PHE   4   1.708  -4.704  -2.232
   22    HB3  PHE   4           HB2      PHE   4   0.030  -5.220  -2.101
   23    HD1  PHE   4           HD2      PHE   4  -1.793  -3.578  -2.559
   24    HD2  PHE   4           HD1      PHE   4   2.299  -2.735  -3.374
   25    HE1  PHE   4           HE2      PHE   4  -2.472  -1.751  -4.058
   26    HE2  PHE   4           HE1      PHE   4   1.625  -0.904  -4.875
   27    HZ   PHE   4           HZ       PHE   4  -0.763  -0.410  -5.219
   28    H    LYS   5           H        LYS   5   3.159  -4.323   0.077
   29    HA   LYS   5           HA       LYS   5   3.650  -1.487   0.615
   30    HB2  LYS   5           HB1      LYS   5   5.477  -3.842   1.114
   31    HB3  LYS   5           HB2      LYS   5   5.684  -2.201   1.713
   32    HG2  LYS   5           HG1      LYS   5   3.546  -2.485   2.980
   33    HG3  LYS   5           HG2      LYS   5   3.568  -4.185   2.507
   34    HD2  LYS   5           HD1      LYS   5   6.005  -3.037   3.772
   35    HD3  LYS   5           HD2      LYS   5   4.608  -3.372   4.797
   36    HE2  LYS   5           HE2      LYS   5   4.753  -5.635   4.490
   37    HE3  LYS   5           HE1      LYS   5   5.487  -5.480   2.895
   38    HZ1  LYS   5           HZ1      LYS   5   7.408  -5.916   3.885
   39    HZ2  LYS   5           HZ2      LYS   5   6.742  -5.773   5.432
   40    HZ3  LYS   5           HZ3      LYS   5   7.316  -4.400   4.630
   41    H    ASP   6           H        ASP   6   4.328  -0.314  -1.046
   42    HA   ASP   6           HA       ASP   6   5.293  -1.291  -3.469
   43    HB2  ASP   6           HB1      ASP   6   5.252   1.371  -2.139
   44    HB3  ASP   6           HB2      ASP   6   6.321   1.174  -3.526
   45    HA   PRO   7           HA       PRO   7   9.551  -2.189  -2.925
   46    HB2  PRO   7           HB1      PRO   7  10.655  -1.215  -5.205
   47    HB3  PRO   7           HB2      PRO   7   9.643  -2.663  -5.171
   48    HG2  PRO   7           HG1      PRO   7   8.914   0.140  -5.926
   49    HG3  PRO   7           HG2      PRO   7   8.468  -1.383  -6.715
   50    HD2  PRO   7           HD1      PRO   7   6.785  -0.051  -5.065
   51    HD3  PRO   7           HD2      PRO   7   6.786  -1.822  -5.202
   52    H    PHE   8           H        PHE   8   8.557   1.087  -3.335
   53    HA   PHE   8           HA       PHE   8  11.143   2.260  -2.901
   54    HB2  PHE   8           HB1      PHE   8   8.366   3.456  -2.806
   55    HB3  PHE   8           HB2      PHE   8   9.858   4.384  -2.684
   56    HD1  PHE   8           HD2      PHE   8  11.582   3.831  -4.665
   57    HD2  PHE   8           HD1      PHE   8   7.353   3.384  -4.853
   58    HE1  PHE   8           HE2      PHE   8  11.676   3.999  -7.117
   59    HE2  PHE   8           HE1      PHE   8   7.442   3.550  -7.306
   60    HZ   PHE   8           HZ       PHE   8   9.604   3.859  -8.442
   61    H    GLY   9           H        GLY   9   8.612   1.036  -0.919
   62    HA2  GLY   9           HA1      GLY   9   9.266   0.530   1.397
   63    HA3  GLY   9           HA2      GLY   9   9.987   2.132   1.456
   64    H    SER  10           H        SER  10   7.623   3.200  -0.082
   65    HA   SER  10           HA       SER  10   6.100   4.007   2.175
   66    HB2  SER  10           HB1      SER  10   6.520   5.180  -0.155
   67    HB3  SER  10           HB2      SER  10   5.042   4.330  -0.605
   68    HG   SER  10           HG       SER  10   3.922   5.637   0.613
   69    H    THR  11           H        THR  11   3.795   3.718   2.468
   70    HA   THR  11           HA       THR  11   2.955   1.002   1.727
   71    HB   THR  11           HB       THR  11   3.036   1.389   4.126
   72    HG1  THR  11           HG1      THR  11   1.342   0.062   3.354
   73   HG21  THR  11          HG21      THR  11   1.539   3.029   5.192
   74   HG22  THR  11          HG22      THR  11   1.070   3.622   3.598
   75   HG23  THR  11          HG23      THR  11   2.734   3.806   4.155
   76    H    LEU  12           H        LEU  12   1.102   0.620   0.624
   77    HA   LEU  12           HA       LEU  12  -0.686   2.878   0.064
   78    HB2  LEU  12           HB1      LEU  12   0.838   1.227  -1.880
   79    HB3  LEU  12           HB2      LEU  12  -0.802   1.708  -2.310
   80    HG   LEU  12           HG       LEU  12   1.417   3.621  -1.591
   81   HD11  LEU  12          HD11      LEU  12   1.892   3.910  -3.805
   82   HD12  LEU  12          HD12      LEU  12   0.295   3.380  -4.333
   83   HD13  LEU  12          HD13      LEU  12   1.488   2.192  -3.804
   84   HD21  LEU  12          HD21      LEU  12  -1.423   3.913  -1.826
   85   HD22  LEU  12          HD22      LEU  12  -0.619   4.843  -3.091
   86   HD23  LEU  12          HD23      LEU  12  -0.209   5.117  -1.396
   87    H    CYS  13           H        CYS  13  -2.819   2.372  -0.034
   88    HA   CYS  13           HA       CYS  13  -3.545  -0.479   0.093
   89    HB2  CYS  13           HB1      CYS  13  -4.361   1.775   1.886
   90    HB3  CYS  13           HB2      CYS  13  -5.496   0.462   1.587
   91    H    ALA  14           H        ALA  14  -5.528  -1.057  -0.832
   92    HA   ALA  14           HA       ALA  14  -6.573   0.922  -2.736
   93    HB1  ALA  14           HB1      ALA  14  -7.557  -1.713  -3.243
   94    HB2  ALA  14           HB2      ALA  14  -6.517  -0.703  -4.246
   95    HB3  ALA  14           HB3      ALA  14  -5.806  -1.771  -3.037
   96    HA   PRO  15           HA       PRO  15 -10.533   1.104  -0.855
   97    HB2  PRO  15           HB1      PRO  15 -12.197   1.145  -2.999
   98    HB3  PRO  15           HB2      PRO  15 -11.170   2.513  -2.553
   99    HG2  PRO  15           HG1      PRO  15 -10.727   0.413  -4.640
  100    HG3  PRO  15           HG2      PRO  15 -10.452   2.161  -4.738
  101    HD2  PRO  15           HD1      PRO  15  -8.447   0.393  -4.310
  102    HD3  PRO  15           HD2      PRO  15  -8.434   2.032  -3.630
  103    H    ASP  16           H        ASP  16  -9.761  -1.547  -2.920
  104    HA   ASP  16           HA       ASP  16 -12.153  -3.035  -2.675
  105    HB2  ASP  16           HB1      ASP  16 -10.069  -3.349  -4.250
  106    HB3  ASP  16           HB2      ASP  16  -9.497  -4.386  -2.947
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -9.290  -2.469  -0.115
    2    HA2  GLY   1           HA1      GLY   1  -8.775  -3.662   1.942
    3    HA3  GLY   1           HA2      GLY   1  -9.547  -5.077   1.244
    4    H    ILE   2           H        ILE   2  -8.137  -4.265  -1.373
    5    HA   ILE   2           HA       ILE   2  -5.966  -6.053  -1.123
    6    HB   ILE   2           HB       ILE   2  -6.391  -4.000  -3.295
    7   HG12  ILE   2          HG12      ILE   2  -7.389  -6.850  -3.107
    8   HG13  ILE   2          HG11      ILE   2  -8.386  -5.406  -2.979
    9   HG21  ILE   2          HG21      ILE   2  -4.578  -4.838  -4.259
   10   HG22  ILE   2          HG22      ILE   2  -4.300  -5.823  -2.824
   11   HG23  ILE   2          HG23      ILE   2  -5.243  -6.468  -4.167
   12   HD11  ILE   2          HD11      ILE   2  -8.659  -6.255  -5.166
   13   HD12  ILE   2          HD12      ILE   2  -7.641  -4.820  -5.303
   14   HD13  ILE   2          HD13      ILE   2  -6.919  -6.427  -5.391
   15    H    CYS   3           H        CYS   3  -4.123  -5.690  -0.094
   16    HA   CYS   3           HA       CYS   3  -2.895  -3.023  -0.307
   17    HB2  CYS   3           HB1      CYS   3  -3.387  -4.700   2.117
   18    HB3  CYS   3           HB2      CYS   3  -1.929  -3.715   2.057
   19    H    PHE   4           H        PHE   4  -0.733  -2.965  -0.702
   20    HA   PHE   4           HA       PHE   4   0.831  -5.418  -0.532
   21    HB2  PHE   4           HB1      PHE   4   1.619  -5.256  -2.838
   22    HB3  PHE   4           HB2      PHE   4  -0.130  -5.446  -2.802
   23    HD1  PHE   4           HD2      PHE   4  -1.596  -3.632  -3.452
   24    HD2  PHE   4           HD1      PHE   4   2.637  -3.196  -3.572
   25    HE1  PHE   4           HE2      PHE   4  -1.846  -1.616  -4.840
   26    HE2  PHE   4           HE1      PHE   4   2.393  -1.179  -4.959
   27    HZ   PHE   4           HZ       PHE   4   0.151  -0.386  -5.595
   28    H    LYS   5           H        LYS   5   2.954  -5.070  -0.102
   29    HA   LYS   5           HA       LYS   5   3.734  -2.353   0.526
   30    HB2  LYS   5           HB1      LYS   5   4.198  -4.513   1.907
   31    HB3  LYS   5           HB2      LYS   5   5.535  -4.740   0.788
   32    HG2  LYS   5           HG1      LYS   5   6.056  -2.238   1.460
   33    HG3  LYS   5           HG2      LYS   5   5.155  -2.698   2.906
   34    HD2  LYS   5           HD1      LYS   5   7.327  -3.238   3.493
   35    HD3  LYS   5           HD2      LYS   5   6.712  -4.780   2.895
   36    HE2  LYS   5           HE2      LYS   5   8.752  -4.633   1.826
   37    HE3  LYS   5           HE1      LYS   5   7.657  -3.968   0.614
   38    HZ1  LYS   5           HZ1      LYS   5   8.320  -1.772   1.980
   39    HZ2  LYS   5           HZ2      LYS   5   9.135  -2.299   0.596
   40    HZ3  LYS   5           HZ3      LYS   5   9.751  -2.661   2.128
   41    H    ASP   6           H        ASP   6   4.825  -1.069  -0.796
   42    HA   ASP   6           HA       ASP   6   5.966  -2.157  -3.239
   43    HB2  ASP   6           HB1      ASP   6   6.362   0.324  -3.730
   44    HB3  ASP   6           HB2      ASP   6   4.687  -0.211  -3.623
   45    HA   PRO   7           HA       PRO   7  10.179  -2.063  -2.022
   46    HB2  PRO   7           HB1      PRO   7  11.397  -1.268  -4.314
   47    HB3  PRO   7           HB2      PRO   7  10.686  -2.874  -4.111
   48    HG2  PRO   7           HG1      PRO   7   9.553  -0.458  -5.467
   49    HG3  PRO   7           HG2      PRO   7   9.526  -2.152  -5.992
   50    HD2  PRO   7           HD1      PRO   7   7.398  -0.956  -4.821
   51    HD3  PRO   7           HD2      PRO   7   7.757  -2.682  -4.613
   52    H    PHE   8           H        PHE   8   8.614   0.800  -3.088
   53    HA   PHE   8           HA       PHE   8  10.822   2.586  -2.720
   54    HB2  PHE   8           HB1      PHE   8   7.846   3.082  -2.924
   55    HB3  PHE   8           HB2      PHE   8   9.054   4.359  -2.842
   56    HD1  PHE   8           HD2      PHE   8  11.151   3.549  -4.589
   57    HD2  PHE   8           HD1      PHE   8   6.954   2.996  -5.033
   58    HE1  PHE   8           HE2      PHE   8  11.426   3.445  -7.032
   59    HE2  PHE   8           HE1      PHE   8   7.223   2.891  -7.477
   60    HZ   PHE   8           HZ       PHE   8   9.461   3.114  -8.479
   61    H    GLY   9           H        GLY   9   8.504   1.102  -0.653
   62    HA2  GLY   9           HA1      GLY   9   8.840   1.037   1.710
   63    HA3  GLY   9           HA2      GLY   9   9.612   2.613   1.610
   64    H    SER  10           H        SER  10   7.366   3.506  -0.212
   65    HA   SER  10           HA       SER  10   5.776   4.725   1.772
   66    HB2  SER  10           HB1      SER  10   5.542   4.501  -1.220
   67    HB3  SER  10           HB2      SER  10   4.291   5.297  -0.266
   68    HG   SER  10           HG       SER  10   5.622   6.906   0.176
   69    H    THR  11           H        THR  11   3.540   4.467   2.219
   70    HA   THR  11           HA       THR  11   2.686   1.678   2.086
   71    HB   THR  11           HB       THR  11   1.330   3.922   3.582
   72    HG1  THR  11           HG1      THR  11   3.317   2.110   4.536
   73   HG21  THR  11          HG21      THR  11   1.107   0.946   3.527
   74   HG22  THR  11          HG22      THR  11  -0.163   2.169   3.604
   75   HG23  THR  11          HG23      THR  11   0.795   1.799   5.038
   76    H    LEU  12           H        LEU  12   1.305   1.017   0.587
   77    HA   LEU  12           HA       LEU  12  -0.659   2.936  -0.472
   78    HB2  LEU  12           HB1      LEU  12   1.392   2.169  -1.949
   79    HB3  LEU  12           HB2      LEU  12   0.376   0.753  -2.208
   80    HG   LEU  12           HG       LEU  12  -0.780   3.460  -2.686
   81   HD11  LEU  12          HD11      LEU  12   0.025   3.149  -5.096
   82   HD12  LEU  12          HD12      LEU  12   1.243   2.072  -4.411
   83   HD13  LEU  12          HD13      LEU  12   1.182   3.764  -3.913
   84   HD21  LEU  12          HD21      LEU  12  -1.118   0.826  -4.113
   85   HD22  LEU  12          HD22      LEU  12  -2.100   2.278  -4.307
   86   HD23  LEU  12          HD23      LEU  12  -2.138   1.382  -2.787
   87    H    CYS  13           H        CYS  13  -2.712   2.271  -0.427
   88    HA   CYS  13           HA       CYS  13  -3.294  -0.596  -0.297
   89    HB2  CYS  13           HB1      CYS  13  -4.052   1.474   1.742
   90    HB3  CYS  13           HB2      CYS  13  -5.084   0.073   1.477
   91    H    ALA  14           H        ALA  14  -5.423  -1.162  -0.945
   92    HA   ALA  14           HA       ALA  14  -6.618   0.818  -2.738
   93    HB1  ALA  14           HB1      ALA  14  -7.797  -1.828  -2.837
   94    HB2  ALA  14           HB2      ALA  14  -7.044  -0.877  -4.117
   95    HB3  ALA  14           HB3      ALA  14  -6.047  -1.871  -3.056
   96    HA   PRO  15           HA       PRO  15 -10.254   1.457  -0.365
   97    HB2  PRO  15           HB1      PRO  15 -12.189   1.521  -2.268
   98    HB3  PRO  15           HB2      PRO  15 -11.005   2.817  -2.058
   99    HG2  PRO  15           HG1      PRO  15 -11.022   0.568  -4.034
  100    HG3  PRO  15           HG2      PRO  15 -10.625   2.278  -4.287
  101    HD2  PRO  15           HD1      PRO  15  -8.727   0.367  -4.009
  102    HD3  PRO  15           HD2      PRO  15  -8.491   2.035  -3.452
  103    H    ASP  16           H        ASP  16  -9.994  -1.365  -2.334
  104    HA   ASP  16           HA       ASP  16 -12.444  -2.595  -1.507
  105    HB2  ASP  16           HB1      ASP  16  -9.970  -3.869  -2.697
  106    HB3  ASP  16           HB2      ASP  16 -11.568  -4.603  -2.589
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -9.801  -2.721   0.454
    2    HA2  GLY   1           HA1      GLY   1  -8.610  -3.747   2.138
    3    HA3  GLY   1           HA2      GLY   1  -9.432  -5.246   1.732
    4    H    ILE   2           H        ILE   2  -7.794  -3.644  -0.825
    5    HA   ILE   2           HA       ILE   2  -5.774  -5.768  -0.823
    6    HB   ILE   2           HB       ILE   2  -6.476  -3.845  -3.043
    7   HG12  ILE   2          HG12      ILE   2  -8.373  -5.292  -2.536
    8   HG13  ILE   2          HG11      ILE   2  -7.641  -5.769  -4.064
    9   HG21  ILE   2          HG21      ILE   2  -4.371  -4.555  -3.600
   10   HG22  ILE   2          HG22      ILE   2  -4.555  -6.101  -2.773
   11   HG23  ILE   2          HG23      ILE   2  -5.339  -5.837  -4.330
   12   HD11  ILE   2          HD11      ILE   2  -6.403  -7.261  -2.000
   13   HD12  ILE   2          HD12      ILE   2  -8.150  -7.349  -1.776
   14   HD13  ILE   2          HD13      ILE   2  -7.433  -7.832  -3.312
   15    H    CYS   3           H        CYS   3  -3.944  -5.239   0.173
   16    HA   CYS   3           HA       CYS   3  -2.956  -2.479  -0.025
   17    HB2  CYS   3           HB1      CYS   3  -2.682  -4.642   2.001
   18    HB3  CYS   3           HB2      CYS   3  -1.317  -3.547   1.800
   19    H    PHE   4           H        PHE   4  -0.954  -2.009  -0.838
   20    HA   PHE   4           HA       PHE   4   0.468  -4.240  -2.132
   21    HB2  PHE   4           HB1      PHE   4   0.451  -1.339  -2.982
   22    HB3  PHE   4           HB2      PHE   4   1.193  -2.683  -3.844
   23    HD1  PHE   4           HD2      PHE   4  -0.472  -4.641  -4.446
   24    HD2  PHE   4           HD1      PHE   4  -1.621  -0.620  -3.655
   25    HE1  PHE   4           HE2      PHE   4  -2.564  -4.997  -5.692
   26    HE2  PHE   4           HE1      PHE   4  -3.714  -0.970  -4.898
   27    HZ   PHE   4           HZ       PHE   4  -4.188  -3.160  -5.919
   28    H    LYS   5           H        LYS   5   2.616  -4.489  -1.795
   29    HA   LYS   5           HA       LYS   5   3.901  -2.573   0.038
   30    HB2  LYS   5           HB1      LYS   5   3.446  -5.023   0.766
   31    HB3  LYS   5           HB2      LYS   5   4.789  -5.424  -0.296
   32    HG2  LYS   5           HG1      LYS   5   6.238  -3.918   0.989
   33    HG3  LYS   5           HG2      LYS   5   4.890  -3.562   2.070
   34    HD2  LYS   5           HD1      LYS   5   6.047  -5.213   3.220
   35    HD3  LYS   5           HD2      LYS   5   4.786  -6.130   2.392
   36    HE2  LYS   5           HE2      LYS   5   7.386  -5.738   1.002
   37    HE3  LYS   5           HE1      LYS   5   7.325  -6.881   2.343
   38    HZ1  LYS   5           HZ1      LYS   5   5.108  -7.364   0.730
   39    HZ2  LYS   5           HZ2      LYS   5   6.456  -8.359   0.966
   40    HZ3  LYS   5           HZ3      LYS   5   6.444  -7.238  -0.301
   41    H    ASP   6           H        ASP   6   4.938  -1.241  -1.378
   42    HA   ASP   6           HA       ASP   6   6.469  -2.321  -3.584
   43    HB2  ASP   6           HB1      ASP   6   5.704   0.399  -2.640
   44    HB3  ASP   6           HB2      ASP   6   7.152   0.256  -3.633
   45    HA   PRO   7           HA       PRO   7  10.424  -2.518  -1.700
   46    HB2  PRO   7           HB1      PRO   7  12.053  -1.559  -3.648
   47    HB3  PRO   7           HB2      PRO   7  11.265  -3.139  -3.746
   48    HG2  PRO   7           HG1      PRO   7  10.469  -0.543  -5.007
   49    HG3  PRO   7           HG2      PRO   7  10.479  -2.171  -5.709
   50    HD2  PRO   7           HD1      PRO   7   8.218  -0.992  -4.798
   51    HD3  PRO   7           HD2      PRO   7   8.478  -2.747  -4.722
   52    H    PHE   8           H        PHE   8   9.269   0.542  -2.842
   53    HA   PHE   8           HA       PHE   8  11.411   2.118  -1.780
   54    HB2  PHE   8           HB1      PHE   8   8.664   2.764  -2.826
   55    HB3  PHE   8           HB2      PHE   8   9.685   4.002  -2.103
   56    HD1  PHE   8           HD1      PHE   8   9.252   1.740  -4.945
   57    HD2  PHE   8           HD2      PHE   8  11.657   4.803  -3.227
   58    HE1  PHE   8           HE1      PHE   8  10.389   2.054  -7.104
   59    HE2  PHE   8           HE2      PHE   8  12.795   5.123  -5.384
   60    HZ   PHE   8           HZ       PHE   8  12.162   3.748  -7.326
   61    H    GLY   9           H        GLY   9   8.559   0.684  -0.497
   62    HA2  GLY   9           HA1      GLY   9   8.031   0.462   1.766
   63    HA3  GLY   9           HA2      GLY   9   9.224   1.697   2.142
   64    H    SER  10           H        SER  10   6.880   2.321  -0.325
   65    HA   SER  10           HA       SER  10   5.836   4.541   1.184
   66    HB2  SER  10           HB1      SER  10   4.387   4.807  -0.925
   67    HB3  SER  10           HB2      SER  10   6.130   5.003  -1.112
   68    HG   SER  10           HG       SER  10   6.139   3.350  -2.399
   69    H    THR  11           H        THR  11   3.520   4.918   1.458
   70    HA   THR  11           HA       THR  11   2.181   2.462   2.314
   71    HB   THR  11           HB       THR  11   1.107   5.213   2.845
   72    HG1  THR  11           HG1      THR  11   3.100   5.518   3.654
   73   HG21  THR  11          HG21      THR  11  -0.390   3.851   3.837
   74   HG22  THR  11          HG22      THR  11   0.826   3.716   5.106
   75   HG23  THR  11          HG23      THR  11   0.719   2.482   3.852
   76    H    LEU  12           H        LEU  12   1.003   1.549   0.748
   77    HA   LEU  12           HA       LEU  12  -0.942   3.240  -0.662
   78    HB2  LEU  12           HB1      LEU  12   1.024   1.315  -1.817
   79    HB3  LEU  12           HB2      LEU  12  -0.542   1.524  -2.598
   80    HG   LEU  12           HG       LEU  12   1.389   3.780  -2.078
   81   HD11  LEU  12          HD11      LEU  12   2.299   2.034  -3.614
   82   HD12  LEU  12          HD12      LEU  12   2.083   3.621  -4.353
   83   HD13  LEU  12          HD13      LEU  12   0.923   2.332  -4.676
   84   HD21  LEU  12          HD21      LEU  12  -0.172   5.136  -2.903
   85   HD22  LEU  12          HD22      LEU  12  -1.309   3.804  -2.696
   86   HD23  LEU  12          HD23      LEU  12  -0.510   4.049  -4.249
   87    H    CYS  13           H        CYS  13  -2.955   2.516  -0.469
   88    HA   CYS  13           HA       CYS  13  -3.454  -0.349  -0.206
   89    HB2  CYS  13           HB1      CYS  13  -4.019   1.713   1.875
   90    HB3  CYS  13           HB2      CYS  13  -5.192   0.420   1.648
   91    H    ALA  14           H        ALA  14  -5.540  -0.991  -0.819
   92    HA   ALA  14           HA       ALA  14  -6.997   1.037  -2.371
   93    HB1  ALA  14           HB1      ALA  14  -8.066  -1.210  -3.291
   94    HB2  ALA  14           HB2      ALA  14  -6.543  -0.573  -3.914
   95    HB3  ALA  14           HB3      ALA  14  -6.533  -1.872  -2.721
   96    HA   PRO  15           HA       PRO  15 -10.586   0.810   0.142
   97    HB2  PRO  15           HB1      PRO  15 -12.589   0.880  -1.691
   98    HB3  PRO  15           HB2      PRO  15 -11.582   2.283  -1.313
   99    HG2  PRO  15           HG1      PRO  15 -11.376   0.366  -3.602
  100    HG3  PRO  15           HG2      PRO  15 -11.224   2.132  -3.606
  101    HD2  PRO  15           HD1      PRO  15  -9.076   0.484  -3.655
  102    HD3  PRO  15           HD2      PRO  15  -9.044   2.071  -2.858
  103    H    ASP  16           H        ASP  16  -9.972  -1.650  -2.175
  104    HA   ASP  16           HA       ASP  16 -12.110  -3.351  -1.108
  105    HB2  ASP  16           HB1      ASP  16 -10.274  -3.933  -3.436
  106    HB3  ASP  16           HB2      ASP  16 -11.757  -4.782  -3.009
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -9.516  -2.580  -0.169
    2    HA2  GLY   1           HA1      GLY   1  -9.315  -3.366   2.128
    3    HA3  GLY   1           HA2      GLY   1 -10.137  -4.837   1.629
    4    H    ILE   2           H        ILE   2  -8.053  -3.971  -0.794
    5    HA   ILE   2           HA       ILE   2  -6.082  -5.934   0.131
    6    HB   ILE   2           HB       ILE   2  -6.473  -4.802  -2.642
    7   HG12  ILE   2          HG12      ILE   2  -7.311  -7.470  -1.484
    8   HG13  ILE   2          HG11      ILE   2  -8.395  -6.148  -1.905
    9   HG21  ILE   2          HG21      ILE   2  -4.202  -5.544  -2.285
   10   HG22  ILE   2          HG22      ILE   2  -4.773  -7.078  -1.633
   11   HG23  ILE   2          HG23      ILE   2  -5.038  -6.690  -3.332
   12   HD11  ILE   2          HD11      ILE   2  -7.115  -8.156  -3.606
   13   HD12  ILE   2          HD12      ILE   2  -8.624  -7.268  -3.825
   14   HD13  ILE   2          HD13      ILE   2  -7.087  -6.512  -4.245
   15    H    CYS   3           H        CYS   3  -4.101  -5.348   0.726
   16    HA   CYS   3           HA       CYS   3  -3.231  -2.597   0.141
   17    HB2  CYS   3           HB1      CYS   3  -2.830  -4.411   2.483
   18    HB3  CYS   3           HB2      CYS   3  -1.590  -3.217   2.118
   19    H    PHE   4           H        PHE   4  -0.922  -2.260  -0.199
   20    HA   PHE   4           HA       PHE   4   0.513  -4.612  -1.203
   21    HB2  PHE   4           HB1      PHE   4   0.436  -2.009  -2.729
   22    HB3  PHE   4           HB2      PHE   4   1.102  -3.551  -3.256
   23    HD1  PHE   4           HD2      PHE   4  -0.620  -5.526  -3.365
   24    HD2  PHE   4           HD1      PHE   4  -1.660  -1.399  -3.447
   25    HE1  PHE   4           HE2      PHE   4  -2.766  -6.091  -4.427
   26    HE2  PHE   4           HE1      PHE   4  -3.808  -1.958  -4.509
   27    HZ   PHE   4           HZ       PHE   4  -4.363  -4.306  -5.001
   28    H    LYS   5           H        LYS   5   2.850  -4.068  -1.670
   29    HA   LYS   5           HA       LYS   5   3.856  -1.934   0.078
   30    HB2  LYS   5           HB1      LYS   5   4.524  -4.857   0.182
   31    HB3  LYS   5           HB2      LYS   5   5.717  -3.661   0.672
   32    HG2  LYS   5           HG1      LYS   5   3.887  -2.748   2.214
   33    HG3  LYS   5           HG2      LYS   5   3.062  -4.280   1.912
   34    HD2  LYS   5           HD1      LYS   5   4.290  -4.654   3.872
   35    HD3  LYS   5           HD2      LYS   5   5.263  -5.392   2.597
   36    HE2  LYS   5           HE2      LYS   5   6.880  -4.216   3.708
   37    HE3  LYS   5           HE1      LYS   5   6.375  -3.006   2.530
   38    HZ1  LYS   5           HZ1      LYS   5   4.742  -2.310   4.384
   39    HZ2  LYS   5           HZ2      LYS   5   6.360  -1.833   4.493
   40    HZ3  LYS   5           HZ3      LYS   5   5.800  -3.135   5.414
   41    H    ASP   6           H        ASP   6   5.047  -0.628  -1.130
   42    HA   ASP   6           HA       ASP   6   6.296  -1.605  -3.566
   43    HB2  ASP   6           HB1      ASP   6   6.660   1.204  -2.640
   44    HB3  ASP   6           HB2      ASP   6   6.381   0.583  -4.265
   45    HA   PRO   7           HA       PRO   7  10.389  -1.995  -2.039
   46    HB2  PRO   7           HB1      PRO   7  11.850  -1.126  -4.157
   47    HB3  PRO   7           HB2      PRO   7  10.993  -2.672  -4.150
   48    HG2  PRO   7           HG1      PRO   7  10.179  -0.059  -5.364
   49    HG3  PRO   7           HG2      PRO   7  10.053  -1.695  -6.038
   50    HD2  PRO   7           HD1      PRO   7   7.945  -0.413  -4.923
   51    HD3  PRO   7           HD2      PRO   7   8.139  -2.175  -4.846
   52    H    PHE   8           H        PHE   8   9.182   1.083  -2.994
   53    HA   PHE   8           HA       PHE   8  11.493   2.612  -2.275
   54    HB2  PHE   8           HB1      PHE   8   8.632   3.557  -2.525
   55    HB3  PHE   8           HB2      PHE   8  10.082   4.555  -2.582
   56    HD1  PHE   8           HD2      PHE   8  11.627   4.365  -4.519
   57    HD2  PHE   8           HD1      PHE   8   7.830   2.442  -4.443
   58    HE1  PHE   8           HE2      PHE   8  11.718   4.095  -6.963
   59    HE2  PHE   8           HE1      PHE   8   7.916   2.169  -6.887
   60    HZ   PHE   8           HZ       PHE   8   9.862   2.995  -8.150
   61    H    GLY   9           H        GLY   9   8.858   1.211  -0.563
   62    HA2  GLY   9           HA1      GLY   9   9.171   0.959   1.850
   63    HA3  GLY   9           HA2      GLY   9   9.740   2.622   1.877
   64    H    SER  10           H        SER  10   7.562   3.366  -0.059
   65    HA   SER  10           HA       SER  10   5.658   4.193   1.868
   66    HB2  SER  10           HB1      SER  10   5.417   4.192  -1.150
   67    HB3  SER  10           HB2      SER  10   4.420   5.120  -0.031
   68    HG   SER  10           HG       SER  10   6.885   5.679  -1.013
   69    H    THR  11           H        THR  11   3.582   3.505   2.273
   70    HA   THR  11           HA       THR  11   2.984   0.772   1.399
   71    HB   THR  11           HB       THR  11   3.021   1.206   3.834
   72    HG1  THR  11           HG1      THR  11   0.401   0.632   2.864
   73   HG21  THR  11          HG21      THR  11   2.124   3.572   3.586
   74   HG22  THR  11          HG22      THR  11   1.452   2.615   4.906
   75   HG23  THR  11          HG23      THR  11   0.528   2.843   3.421
   76    H    LEU  12           H        LEU  12   1.285   0.288   0.141
   77    HA   LEU  12           HA       LEU  12  -0.552   2.480  -0.566
   78    HB2  LEU  12           HB1      LEU  12   1.098   1.328  -2.279
   79    HB3  LEU  12           HB2      LEU  12  -0.184   0.120  -2.340
   80    HG   LEU  12           HG       LEU  12  -1.762   1.994  -2.944
   81   HD11  LEU  12          HD11      LEU  12  -0.938   4.079  -3.642
   82   HD12  LEU  12          HD12      LEU  12   0.737   3.528  -3.596
   83   HD13  LEU  12          HD13      LEU  12  -0.155   3.767  -2.093
   84   HD21  LEU  12          HD21      LEU  12  -0.148   0.420  -4.497
   85   HD22  LEU  12          HD22      LEU  12   0.189   2.037  -5.118
   86   HD23  LEU  12          HD23      LEU  12  -1.468   1.430  -5.088
   87    H    CYS  13           H        CYS  13  -2.752   2.044  -0.762
   88    HA   CYS  13           HA       CYS  13  -3.686  -0.628  -0.023
   89    HB2  CYS  13           HB1      CYS  13  -4.040   1.862   1.567
   90    HB3  CYS  13           HB2      CYS  13  -5.422   0.778   1.449
   91    H    ALA  14           H        ALA  14  -5.661  -1.180  -0.870
   92    HA   ALA  14           HA       ALA  14  -6.755   0.702  -2.837
   93    HB1  ALA  14           HB1      ALA  14  -6.131  -2.027  -2.975
   94    HB2  ALA  14           HB2      ALA  14  -7.892  -1.927  -3.017
   95    HB3  ALA  14           HB3      ALA  14  -6.931  -1.041  -4.200
   96    HA   PRO  15           HA       PRO  15 -10.560   1.276  -0.729
   97    HB2  PRO  15           HB1      PRO  15 -12.365   1.228  -2.757
   98    HB3  PRO  15           HB2      PRO  15 -11.240   2.568  -2.504
   99    HG2  PRO  15           HG1      PRO  15 -11.053   0.270  -4.415
  100    HG3  PRO  15           HG2      PRO  15 -10.695   1.985  -4.689
  101    HD2  PRO  15           HD1      PRO  15  -8.759   0.146  -4.234
  102    HD3  PRO  15           HD2      PRO  15  -8.614   1.837  -3.708
  103    H    ASP  16           H        ASP  16 -10.000  -1.607  -2.490
  104    HA   ASP  16           HA       ASP  16 -12.475  -2.915  -1.956
  105    HB2  ASP  16           HB1      ASP  16  -9.753  -4.034  -2.661
  106    HB3  ASP  16           HB2      ASP  16 -11.239  -4.980  -2.599
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -9.515  -2.613   0.090
    2    HA2  GLY   1           HA1      GLY   1  -9.133  -3.868   2.118
    3    HA3  GLY   1           HA2      GLY   1  -9.862  -5.263   1.335
    4    H    ILE   2           H        ILE   2  -8.246  -4.420  -1.148
    5    HA   ILE   2           HA       ILE   2  -6.019  -6.145  -0.599
    6    HB   ILE   2           HB       ILE   2  -6.498  -4.496  -3.080
    7   HG12  ILE   2          HG12      ILE   2  -8.452  -5.908  -2.567
    8   HG13  ILE   2          HG11      ILE   2  -7.609  -6.467  -4.007
    9   HG21  ILE   2          HG21      ILE   2  -4.685  -6.762  -2.374
   10   HG22  ILE   2          HG22      ILE   2  -5.239  -6.564  -4.036
   11   HG23  ILE   2          HG23      ILE   2  -4.332  -5.273  -3.251
   12   HD11  ILE   2          HD11      ILE   2  -6.654  -8.294  -2.834
   13   HD12  ILE   2          HD12      ILE   2  -7.202  -7.662  -1.282
   14   HD13  ILE   2          HD13      ILE   2  -8.376  -8.262  -2.454
   15    H    CYS   3           H        CYS   3  -3.968  -5.618  -0.141
   16    HA   CYS   3           HA       CYS   3  -3.222  -2.768  -0.248
   17    HB2  CYS   3           HB1      CYS   3  -2.846  -4.814   1.895
   18    HB3  CYS   3           HB2      CYS   3  -1.597  -3.591   1.682
   19    H    PHE   4           H        PHE   4  -1.008  -2.293  -0.669
   20    HA   PHE   4           HA       PHE   4   0.461  -4.497  -1.962
   21    HB2  PHE   4           HB1      PHE   4   0.512  -1.614  -2.865
   22    HB3  PHE   4           HB2      PHE   4   1.206  -3.007  -3.688
   23    HD1  PHE   4           HD2      PHE   4  -0.523  -4.894  -4.303
   24    HD2  PHE   4           HD1      PHE   4  -1.525  -0.823  -3.567
   25    HE1  PHE   4           HE2      PHE   4  -2.608  -5.180  -5.578
   26    HE2  PHE   4           HE1      PHE   4  -3.611  -1.103  -4.840
   27    HZ   PHE   4           HZ       PHE   4  -4.155  -3.283  -5.847
   28    H    LYS   5           H        LYS   5   2.725  -4.456  -1.817
   29    HA   LYS   5           HA       LYS   5   3.788  -2.638   0.246
   30    HB2  LYS   5           HB1      LYS   5   5.405  -4.501   0.764
   31    HB3  LYS   5           HB2      LYS   5   3.729  -4.827   1.186
   32    HG2  LYS   5           HG1      LYS   5   4.142  -5.740  -1.463
   33    HG3  LYS   5           HG2      LYS   5   5.473  -6.334  -0.468
   34    HD2  LYS   5           HD1      LYS   5   2.837  -6.556   0.793
   35    HD3  LYS   5           HD2      LYS   5   3.018  -7.513  -0.678
   36    HE2  LYS   5           HE2      LYS   5   4.941  -7.565   1.644
   37    HE3  LYS   5           HE1      LYS   5   3.637  -8.728   1.404
   38    HZ1  LYS   5           HZ1      LYS   5   4.821  -9.828  -0.107
   39    HZ2  LYS   5           HZ2      LYS   5   6.164  -8.957   0.438
   40    HZ3  LYS   5           HZ3      LYS   5   5.298  -8.419  -0.912
   41    H    ASP   6           H        ASP   6   4.756  -1.110  -0.998
   42    HA   ASP   6           HA       ASP   6   6.404  -1.870  -3.260
   43    HB2  ASP   6           HB1      ASP   6   4.877   0.239  -3.023
   44    HB3  ASP   6           HB2      ASP   6   6.256   0.916  -2.161
   45    HA   PRO   7           HA       PRO   7  10.157  -2.139  -0.957
   46    HB2  PRO   7           HB1      PRO   7  11.892  -1.928  -3.033
   47    HB3  PRO   7           HB2      PRO   7  10.955  -3.391  -2.709
   48    HG2  PRO   7           HG1      PRO   7  10.429  -1.202  -4.683
   49    HG3  PRO   7           HG2      PRO   7  10.288  -2.956  -4.895
   50    HD2  PRO   7           HD1      PRO   7   8.143  -1.368  -4.441
   51    HD3  PRO   7           HD2      PRO   7   8.229  -3.043  -3.862
   52    H    PHE   8           H        PHE   8   9.122   0.599  -2.685
   53    HA   PHE   8           HA       PHE   8  11.443   2.230  -2.295
   54    HB2  PHE   8           HB1      PHE   8   8.619   2.742  -3.170
   55    HB3  PHE   8           HB2      PHE   8   9.679   4.092  -2.779
   56    HD1  PHE   8           HD2      PHE   8  12.246   3.279  -3.824
   57    HD2  PHE   8           HD1      PHE   8   8.355   2.713  -5.456
   58    HE1  PHE   8           HE2      PHE   8  13.212   3.177  -6.085
   59    HE2  PHE   8           HE1      PHE   8   9.316   2.610  -7.719
   60    HZ   PHE   8           HZ       PHE   8  11.748   2.841  -8.035
   61    H    GLY   9           H        GLY   9   8.748   1.311  -0.364
   62    HA2  GLY   9           HA1      GLY   9   9.038   1.651   2.052
   63    HA3  GLY   9           HA2      GLY   9   9.582   3.279   1.677
   64    H    SER  10           H        SER  10   7.520   3.710  -0.345
   65    HA   SER  10           HA       SER  10   5.501   4.756   1.355
   66    HB2  SER  10           HB1      SER  10   5.235   4.397  -1.629
   67    HB3  SER  10           HB2      SER  10   4.508   5.639  -0.610
   68    HG   SER  10           HG       SER  10   6.195   6.694  -1.400
   69    H    THR  11           H        THR  11   3.746   3.810   2.141
   70    HA   THR  11           HA       THR  11   3.047   1.131   1.251
   71    HB   THR  11           HB       THR  11   1.734   2.695   3.472
   72    HG1  THR  11           HG1      THR  11   4.064   2.479   3.741
   73   HG21  THR  11          HG21      THR  11   0.462   0.872   3.630
   74   HG22  THR  11          HG22      THR  11   1.908  -0.055   4.032
   75   HG23  THR  11          HG23      THR  11   1.380   0.074   2.354
   76    H    LEU  12           H        LEU  12   1.410   0.683  -0.072
   77    HA   LEU  12           HA       LEU  12  -0.617   2.770  -0.537
   78    HB2  LEU  12           HB1      LEU  12   0.617   0.790  -2.435
   79    HB3  LEU  12           HB2      LEU  12  -0.863   1.674  -2.806
   80    HG   LEU  12           HG       LEU  12   1.819   2.945  -2.254
   81   HD11  LEU  12          HD11      LEU  12   0.744   1.723  -4.627
   82   HD12  LEU  12          HD12      LEU  12   2.337   2.425  -4.347
   83   HD13  LEU  12          HD13      LEU  12   1.003   3.451  -4.875
   84   HD21  LEU  12          HD21      LEU  12   0.512   4.873  -3.432
   85   HD22  LEU  12          HD22      LEU  12   0.296   4.581  -1.706
   86   HD23  LEU  12          HD23      LEU  12  -0.908   3.999  -2.856
   87    H    CYS  13           H        CYS  13  -2.743   2.205  -0.511
   88    HA   CYS  13           HA       CYS  13  -3.460  -0.621  -0.305
   89    HB2  CYS  13           HB1      CYS  13  -3.865   1.451   1.819
   90    HB3  CYS  13           HB2      CYS  13  -5.066   0.179   1.619
   91    H    ALA  14           H        ALA  14  -5.522  -1.107  -1.008
   92    HA   ALA  14           HA       ALA  14  -6.872   1.058  -2.451
   93    HB1  ALA  14           HB1      ALA  14  -8.157  -1.086  -3.346
   94    HB2  ALA  14           HB2      ALA  14  -6.600  -0.582  -4.006
   95    HB3  ALA  14           HB3      ALA  14  -6.674  -1.880  -2.815
   96    HA   PRO  15           HA       PRO  15 -10.409   1.142   0.145
   97    HB2  PRO  15           HB1      PRO  15 -12.438   1.397  -1.641
   98    HB3  PRO  15           HB2      PRO  15 -11.303   2.703  -1.284
   99    HG2  PRO  15           HG1      PRO  15 -11.321   0.784  -3.581
  100    HG3  PRO  15           HG2      PRO  15 -11.011   2.529  -3.584
  101    HD2  PRO  15           HD1      PRO  15  -9.021   0.698  -3.685
  102    HD3  PRO  15           HD2      PRO  15  -8.830   2.272  -2.888
  103    H    ASP  16           H        ASP  16 -10.103  -1.340  -2.224
  104    HA   ASP  16           HA       ASP  16 -12.457  -2.803  -1.709
  105    HB2  ASP  16           HB1      ASP  16 -10.752  -3.073  -3.629
  106    HB3  ASP  16           HB2      ASP  16  -9.850  -4.079  -2.499
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -9.267  -2.542  -0.429
    2    HA2  GLY   1           HA1      GLY   1  -9.145  -3.402   1.827
    3    HA3  GLY   1           HA2      GLY   1  -9.866  -4.895   1.243
    4    H    ILE   2           H        ILE   2  -7.990  -4.578  -1.180
    5    HA   ILE   2           HA       ILE   2  -5.951  -6.299  -0.178
    6    HB   ILE   2           HB       ILE   2  -6.112  -4.898  -2.849
    7   HG12  ILE   2          HG12      ILE   2  -6.935  -7.704  -2.074
    8   HG13  ILE   2          HG11      ILE   2  -8.049  -6.370  -2.350
    9   HG21  ILE   2          HG21      ILE   2  -4.435  -7.224  -1.921
   10   HG22  ILE   2          HG22      ILE   2  -4.583  -6.694  -3.596
   11   HG23  ILE   2          HG23      ILE   2  -3.859  -5.625  -2.393
   12   HD11  ILE   2          HD11      ILE   2  -6.298  -7.772  -4.340
   13   HD12  ILE   2          HD12      ILE   2  -8.057  -7.641  -4.320
   14   HD13  ILE   2          HD13      ILE   2  -7.071  -6.223  -4.677
   15    H    CYS   3           H        CYS   3  -4.267  -5.648   0.974
   16    HA   CYS   3           HA       CYS   3  -3.184  -2.953   0.520
   17    HB2  CYS   3           HB1      CYS   3  -3.278  -4.766   2.897
   18    HB3  CYS   3           HB2      CYS   3  -1.971  -3.594   2.774
   19    H    PHE   4           H        PHE   4  -1.237  -2.702  -0.363
   20    HA   PHE   4           HA       PHE   4   0.725  -4.857  -0.209
   21    HB2  PHE   4           HB1      PHE   4   1.180  -4.729  -2.636
   22    HB3  PHE   4           HB2      PHE   4  -0.449  -5.305  -2.295
   23    HD1  PHE   4           HD2      PHE   4  -2.377  -3.738  -2.565
   24    HD2  PHE   4           HD1      PHE   4   1.550  -2.784  -3.901
   25    HE1  PHE   4           HE2      PHE   4  -3.302  -1.981  -4.017
   26    HE2  PHE   4           HE1      PHE   4   0.631  -1.024  -5.355
   27    HZ   PHE   4           HZ       PHE   4  -1.798  -0.622  -5.416
   28    H    LYS   5           H        LYS   5   2.641  -4.053   0.316
   29    HA   LYS   5           HA       LYS   5   3.083  -1.233   0.432
   30    HB2  LYS   5           HB1      LYS   5   4.848  -1.736   1.766
   31    HB3  LYS   5           HB2      LYS   5   4.057  -3.304   1.847
   32    HG2  LYS   5           HG1      LYS   5   6.270  -2.576  -0.062
   33    HG3  LYS   5           HG2      LYS   5   6.470  -3.480   1.440
   34    HD2  LYS   5           HD1      LYS   5   4.391  -4.683  -0.109
   35    HD3  LYS   5           HD2      LYS   5   5.821  -4.474  -1.122
   36    HE2  LYS   5           HE2      LYS   5   5.976  -5.666   1.631
   37    HE3  LYS   5           HE1      LYS   5   5.621  -6.646   0.209
   38    HZ1  LYS   5           HZ1      LYS   5   7.815  -6.810  -0.006
   39    HZ2  LYS   5           HZ2      LYS   5   8.120  -5.564   1.095
   40    HZ3  LYS   5           HZ3      LYS   5   7.804  -5.202  -0.527
   41    H    ASP   6           H        ASP   6   4.766  -0.055  -0.619
   42    HA   ASP   6           HA       ASP   6   5.104  -0.850  -3.386
   43    HB2  ASP   6           HB1      ASP   6   5.335   1.653  -1.835
   44    HB3  ASP   6           HB2      ASP   6   6.462   1.495  -3.179
   45    HA   PRO   7           HA       PRO   7   9.247  -2.276  -3.209
   46    HB2  PRO   7           HB1      PRO   7  10.331  -1.217  -5.462
   47    HB3  PRO   7           HB2      PRO   7   9.156  -2.537  -5.491
   48    HG2  PRO   7           HG1      PRO   7   8.727   0.392  -5.940
   49    HG3  PRO   7           HG2      PRO   7   8.057  -0.988  -6.832
   50    HD2  PRO   7           HD1      PRO   7   6.642   0.361  -4.959
   51    HD3  PRO   7           HD2      PRO   7   6.422  -1.376  -5.255
   52    H    PHE   8           H        PHE   8   8.611   1.101  -3.193
   53    HA   PHE   8           HA       PHE   8  11.381   1.843  -2.725
   54    HB2  PHE   8           HB1      PHE   8   8.837   3.475  -2.792
   55    HB3  PHE   8           HB2      PHE   8  10.436   4.153  -2.507
   56    HD1  PHE   8           HD2      PHE   8  12.064   4.297  -4.295
   57    HD2  PHE   8           HD1      PHE   8   8.176   2.706  -4.977
   58    HE1  PHE   8           HE2      PHE   8  12.406   4.513  -6.722
   59    HE2  PHE   8           HE1      PHE   8   8.512   2.917  -7.405
   60    HZ   PHE   8           HZ       PHE   8  10.629   3.822  -8.281
   61    H    GLY   9           H        GLY   9   8.562   1.037  -0.926
   62    HA2  GLY   9           HA1      GLY   9   8.891   0.401   1.401
   63    HA3  GLY   9           HA2      GLY   9   9.983   1.771   1.555
   64    H    SER  10           H        SER  10   7.182   2.380  -0.291
   65    HA   SER  10           HA       SER  10   6.168   4.114   1.817
   66    HB2  SER  10           HB1      SER  10   5.432   3.831  -1.105
   67    HB3  SER  10           HB2      SER  10   4.651   4.960   0.002
   68    HG   SER  10           HG       SER  10   6.380   6.196  -0.011
   69    H    THR  11           H        THR  11   3.982   4.109   2.497
   70    HA   THR  11           HA       THR  11   2.792   1.436   2.464
   71    HB   THR  11           HB       THR  11   2.001   3.805   4.167
   72    HG1  THR  11           HG1      THR  11   3.696   1.603   4.811
   73   HG21  THR  11          HG21      THR  11   1.153   0.961   3.991
   74   HG22  THR  11          HG22      THR  11   0.209   2.401   4.376
   75   HG23  THR  11          HG23      THR  11   1.265   1.687   5.594
   76    H    LEU  12           H        LEU  12   1.355   1.072   0.908
   77    HA   LEU  12           HA       LEU  12  -0.709   3.101   0.413
   78    HB2  LEU  12           HB1      LEU  12   1.111   1.806  -1.550
   79    HB3  LEU  12           HB2      LEU  12  -0.556   2.109  -2.037
   80    HG   LEU  12           HG       LEU  12   0.029   4.546  -1.158
   81   HD11  LEU  12          HD11      LEU  12   2.249   4.114  -0.401
   82   HD12  LEU  12          HD12      LEU  12   2.361   5.092  -1.864
   83   HD13  LEU  12          HD13      LEU  12   2.686   3.360  -1.934
   84   HD21  LEU  12          HD21      LEU  12   1.208   4.055  -3.802
   85   HD22  LEU  12          HD22      LEU  12  -0.112   5.123  -3.325
   86   HD23  LEU  12          HD23      LEU  12  -0.415   3.403  -3.575
   87    H    CYS  13           H        CYS  13  -2.746   2.314  -0.040
   88    HA   CYS  13           HA       CYS  13  -3.074  -0.609  -0.044
   89    HB2  CYS  13           HB1      CYS  13  -4.324   1.409   1.778
   90    HB3  CYS  13           HB2      CYS  13  -5.251  -0.016   1.321
   91    H    ALA  14           H        ALA  14  -5.293  -1.266  -0.762
   92    HA   ALA  14           HA       ALA  14  -6.131   0.462  -2.983
   93    HB1  ALA  14           HB1      ALA  14  -6.407  -1.375  -4.228
   94    HB2  ALA  14           HB2      ALA  14  -5.460  -2.190  -2.983
   95    HB3  ALA  14           HB3      ALA  14  -7.221  -2.246  -2.927
   96    HA   PRO  15           HA       PRO  15 -10.103   1.262  -1.299
   97    HB2  PRO  15           HB1      PRO  15 -11.709   1.089  -3.482
   98    HB3  PRO  15           HB2      PRO  15 -10.580   2.424  -3.224
   99    HG2  PRO  15           HG1      PRO  15 -10.269  -0.016  -4.930
  100    HG3  PRO  15           HG2      PRO  15  -9.845   1.667  -5.295
  101    HD2  PRO  15           HD1      PRO  15  -8.007  -0.164  -4.520
  102    HD3  PRO  15           HD2      PRO  15  -7.871   1.559  -4.110
  103    H    ASP  16           H        ASP  16  -9.530  -1.737  -2.916
  104    HA   ASP  16           HA       ASP  16 -12.061  -2.943  -2.423
  105    HB2  ASP  16           HB1      ASP  16  -9.350  -4.169  -2.967
  106    HB3  ASP  16           HB2      ASP  16 -10.859  -5.075  -2.913
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -9.431  -2.605  -0.057
    2    HA2  GLY   1           HA1      GLY   1  -9.011  -3.914   1.938
    3    HA3  GLY   1           HA2      GLY   1  -9.746  -5.289   1.126
    4    H    ILE   2           H        ILE   2  -8.194  -4.349  -1.365
    5    HA   ILE   2           HA       ILE   2  -6.005  -6.131  -1.025
    6    HB   ILE   2           HB       ILE   2  -6.487  -4.130  -3.235
    7   HG12  ILE   2          HG12      ILE   2  -7.145  -7.080  -3.150
    8   HG13  ILE   2          HG11      ILE   2  -8.320  -5.798  -2.882
    9   HG21  ILE   2          HG21      ILE   2  -4.178  -4.869  -3.172
   10   HG22  ILE   2          HG22      ILE   2  -4.697  -6.553  -3.117
   11   HG23  ILE   2          HG23      ILE   2  -5.005  -5.583  -4.556
   12   HD11  ILE   2          HD11      ILE   2  -8.669  -5.670  -5.055
   13   HD12  ILE   2          HD12      ILE   2  -6.973  -5.260  -5.315
   14   HD13  ILE   2          HD13      ILE   2  -7.483  -6.948  -5.323
   15    H    CYS   3           H        CYS   3  -4.188  -5.710   0.024
   16    HA   CYS   3           HA       CYS   3  -3.143  -2.954  -0.015
   17    HB2  CYS   3           HB1      CYS   3  -3.369  -4.955   2.177
   18    HB3  CYS   3           HB2      CYS   3  -1.937  -3.932   2.161
   19    H    PHE   4           H        PHE   4  -0.994  -2.639  -0.445
   20    HA   PHE   4           HA       PHE   4   0.809  -4.888  -0.685
   21    HB2  PHE   4           HB1      PHE   4   1.391  -4.254  -3.070
   22    HB3  PHE   4           HB2      PHE   4  -0.160  -5.060  -2.852
   23    HD1  PHE   4           HD1      PHE   4   1.490  -1.861  -3.575
   24    HD2  PHE   4           HD2      PHE   4  -2.216  -3.936  -3.304
   25    HE1  PHE   4           HE1      PHE   4   0.368  -0.001  -4.730
   26    HE2  PHE   4           HE2      PHE   4  -3.343  -2.080  -4.461
   27    HZ   PHE   4           HZ       PHE   4  -2.052  -0.109  -5.175
   28    H    LYS   5           H        LYS   5   2.846  -4.302  -0.235
   29    HA   LYS   5           HA       LYS   5   3.395  -1.431   0.048
   30    HB2  LYS   5           HB1      LYS   5   4.895  -3.777   1.227
   31    HB3  LYS   5           HB2      LYS   5   5.173  -2.078   1.584
   32    HG2  LYS   5           HG1      LYS   5   2.467  -2.499   2.108
   33    HG3  LYS   5           HG2      LYS   5   3.296  -3.915   2.756
   34    HD2  LYS   5           HD1      LYS   5   4.565  -1.316   3.328
   35    HD3  LYS   5           HD2      LYS   5   3.001  -1.590   4.100
   36    HE2  LYS   5           HE2      LYS   5   5.236  -3.600   4.209
   37    HE3  LYS   5           HE1      LYS   5   5.067  -2.308   5.397
   38    HZ1  LYS   5           HZ1      LYS   5   3.899  -3.950   6.419
   39    HZ2  LYS   5           HZ2      LYS   5   3.398  -4.673   4.974
   40    HZ3  LYS   5           HZ3      LYS   5   2.641  -3.264   5.521
   41    H    ASP   6           H        ASP   6   4.890  -0.440  -1.160
   42    HA   ASP   6           HA       ASP   6   6.199  -1.954  -3.255
   43    HB2  ASP   6           HB1      ASP   6   5.685   0.922  -2.697
   44    HB3  ASP   6           HB2      ASP   6   7.084   0.530  -3.693
   45    HA   PRO   7           HA       PRO   7  10.222  -2.224  -1.531
   46    HB2  PRO   7           HB1      PRO   7  11.813  -1.699  -3.666
   47    HB3  PRO   7           HB2      PRO   7  10.897  -3.200  -3.498
   48    HG2  PRO   7           HG1      PRO   7  10.244  -0.752  -5.091
   49    HG3  PRO   7           HG2      PRO   7  10.086  -2.459  -5.546
   50    HD2  PRO   7           HD1      PRO   7   7.980  -0.969  -4.725
   51    HD3  PRO   7           HD2      PRO   7   8.102  -2.710  -4.402
   52    H    PHE   8           H        PHE   8   9.149   0.733  -2.897
   53    HA   PHE   8           HA       PHE   8  11.488   2.278  -2.308
   54    HB2  PHE   8           HB1      PHE   8   8.714   2.864  -3.238
   55    HB3  PHE   8           HB2      PHE   8   9.652   4.181  -2.541
   56    HD1  PHE   8           HD2      PHE   8  11.800   4.849  -3.593
   57    HD2  PHE   8           HD1      PHE   8   9.157   2.049  -5.407
   58    HE1  PHE   8           HE2      PHE   8  12.934   5.182  -5.751
   59    HE2  PHE   8           HE1      PHE   8  10.286   2.377  -7.568
   60    HZ   PHE   8           HZ       PHE   8  12.177   3.947  -7.742
   61    H    GLY   9           H        GLY   9   8.760   1.178  -0.522
   62    HA2  GLY   9           HA1      GLY   9   9.030   1.234   1.920
   63    HA3  GLY   9           HA2      GLY   9   9.591   2.891   1.739
   64    H    SER  10           H        SER  10   7.567   3.603  -0.221
   65    HA   SER  10           HA       SER  10   5.539   4.459   1.559
   66    HB2  SER  10           HB1      SER  10   5.098   4.444  -1.402
   67    HB3  SER  10           HB2      SER  10   4.701   5.688  -0.217
   68    HG   SER  10           HG       SER  10   6.802   5.603  -1.776
   69    H    THR  11           H        THR  11   3.645   3.579   2.104
   70    HA   THR  11           HA       THR  11   2.948   0.991   0.928
   71    HB   THR  11           HB       THR  11   3.110   0.997   3.346
   72    HG1  THR  11           HG1      THR  11   1.451  -0.295   2.422
   73   HG21  THR  11          HG21      THR  11   1.983   3.560   3.142
   74   HG22  THR  11          HG22      THR  11   2.448   2.707   4.614
   75   HG23  THR  11          HG23      THR  11   0.799   2.578   4.003
   76    H    LEU  12           H        LEU  12   1.186   0.683  -0.293
   77    HA   LEU  12           HA       LEU  12  -0.790   2.862  -0.451
   78    HB2  LEU  12           HB1      LEU  12   0.546   1.311  -2.637
   79    HB3  LEU  12           HB2      LEU  12  -1.050   2.017  -2.885
   80    HG   LEU  12           HG       LEU  12   0.135   4.219  -2.103
   81   HD11  LEU  12          HD11      LEU  12   2.523   4.037  -3.217
   82   HD12  LEU  12          HD12      LEU  12   2.381   2.364  -2.680
   83   HD13  LEU  12          HD13      LEU  12   2.267   3.677  -1.509
   84   HD21  LEU  12          HD21      LEU  12  -0.835   3.572  -4.372
   85   HD22  LEU  12          HD22      LEU  12   0.821   3.182  -4.837
   86   HD23  LEU  12          HD23      LEU  12   0.405   4.825  -4.351
   87    H    CYS  13           H        CYS  13  -2.708   2.201   0.225
   88    HA   CYS  13           HA       CYS  13  -3.444  -0.626  -0.156
   89    HB2  CYS  13           HB1      CYS  13  -4.028   1.319   2.051
   90    HB3  CYS  13           HB2      CYS  13  -5.122  -0.029   1.755
   91    H    ALA  14           H        ALA  14  -5.404  -1.135  -1.044
   92    HA   ALA  14           HA       ALA  14  -6.758   1.029  -2.452
   93    HB1  ALA  14           HB1      ALA  14  -7.829  -1.640  -2.873
   94    HB2  ALA  14           HB2      ALA  14  -7.196  -0.477  -4.038
   95    HB3  ALA  14           HB3      ALA  14  -6.093  -1.546  -3.171
   96    HA   PRO  15           HA       PRO  15 -10.350   1.203   0.062
   97    HB2  PRO  15           HB1      PRO  15 -12.335   1.459  -1.773
   98    HB3  PRO  15           HB2      PRO  15 -11.189   2.755  -1.411
   99    HG2  PRO  15           HG1      PRO  15 -11.183   0.799  -3.677
  100    HG3  PRO  15           HG2      PRO  15 -10.849   2.540  -3.701
  101    HD2  PRO  15           HD1      PRO  15  -8.883   0.680  -3.729
  102    HD3  PRO  15           HD2      PRO  15  -8.687   2.264  -2.952
  103    H    ASP  16           H        ASP  16 -10.072  -1.298  -2.308
  104    HA   ASP  16           HA       ASP  16 -12.450  -2.721  -1.733
  105    HB2  ASP  16           HB1      ASP  16 -10.946  -3.020  -3.754
  106    HB3  ASP  16           HB2      ASP  16  -9.859  -3.927  -2.707
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -9.391  -2.533  -0.290
    2    HA2  GLY   1           HA1      GLY   1  -9.401  -3.418   1.965
    3    HA3  GLY   1           HA2      GLY   1 -10.115  -4.892   1.328
    4    H    ILE   2           H        ILE   2  -8.119  -4.573  -0.998
    5    HA   ILE   2           HA       ILE   2  -6.085  -6.231   0.206
    6    HB   ILE   2           HB       ILE   2  -6.293  -5.233  -2.636
    7   HG12  ILE   2          HG12      ILE   2  -7.114  -7.907  -1.485
    8   HG13  ILE   2          HG11      ILE   2  -8.234  -6.607  -1.877
    9   HG21  ILE   2          HG21      ILE   2  -4.281  -6.743  -1.216
   10   HG22  ILE   2          HG22      ILE   2  -4.941  -7.661  -2.569
   11   HG23  ILE   2          HG23      ILE   2  -4.240  -6.067  -2.844
   12   HD11  ILE   2          HD11      ILE   2  -7.684  -8.609  -3.542
   13   HD12  ILE   2          HD12      ILE   2  -8.112  -6.990  -4.096
   14   HD13  ILE   2          HD13      ILE   2  -6.419  -7.482  -4.032
   15    H    CYS   3           H        CYS   3  -4.154  -5.593   0.906
   16    HA   CYS   3           HA       CYS   3  -3.236  -2.888   0.181
   17    HB2  CYS   3           HB1      CYS   3  -3.219  -4.389   2.752
   18    HB3  CYS   3           HB2      CYS   3  -1.852  -3.331   2.421
   19    H    PHE   4           H        PHE   4  -1.206  -2.620  -0.593
   20    HA   PHE   4           HA       PHE   4   0.604  -4.930  -0.598
   21    HB2  PHE   4           HB1      PHE   4   1.189  -4.374  -2.984
   22    HB3  PHE   4           HB2      PHE   4  -0.424  -5.040  -2.756
   23    HD1  PHE   4           HD2      PHE   4  -2.400  -3.622  -2.986
   24    HD2  PHE   4           HD1      PHE   4   1.514  -2.126  -3.732
   25    HE1  PHE   4           HE2      PHE   4  -3.367  -1.684  -4.152
   26    HE2  PHE   4           HE1      PHE   4   0.553  -0.185  -4.899
   27    HZ   PHE   4           HZ       PHE   4  -1.890   0.038  -5.112
   28    H    LYS   5           H        LYS   5   2.723  -4.446  -0.329
   29    HA   LYS   5           HA       LYS   5   3.366  -1.654   0.228
   30    HB2  LYS   5           HB1      LYS   5   3.944  -3.294   1.938
   31    HB3  LYS   5           HB2      LYS   5   4.904  -4.199   0.775
   32    HG2  LYS   5           HG1      LYS   5   6.495  -2.413   0.610
   33    HG3  LYS   5           HG2      LYS   5   5.488  -1.368   1.614
   34    HD2  LYS   5           HD1      LYS   5   7.216  -2.214   3.010
   35    HD3  LYS   5           HD2      LYS   5   5.737  -3.072   3.449
   36    HE2  LYS   5           HE2      LYS   5   6.489  -4.895   1.860
   37    HE3  LYS   5           HE1      LYS   5   8.046  -4.071   1.796
   38    HZ1  LYS   5           HZ1      LYS   5   7.173  -4.449   4.480
   39    HZ2  LYS   5           HZ2      LYS   5   8.619  -4.930   3.745
   40    HZ3  LYS   5           HZ3      LYS   5   7.253  -5.924   3.655
   41    H    ASP   6           H        ASP   6   4.694  -0.443  -0.985
   42    HA   ASP   6           HA       ASP   6   5.610  -1.532  -3.510
   43    HB2  ASP   6           HB1      ASP   6   5.298   1.193  -2.344
   44    HB3  ASP   6           HB2      ASP   6   6.473   0.984  -3.639
   45    HA   PRO   7           HA       PRO   7   9.847  -2.109  -2.541
   46    HB2  PRO   7           HB1      PRO   7  11.092  -1.186  -4.770
   47    HB3  PRO   7           HB2      PRO   7  10.174  -2.696  -4.738
   48    HG2  PRO   7           HG1      PRO   7   9.341   0.005  -5.722
   49    HG3  PRO   7           HG2      PRO   7   9.065  -1.585  -6.454
   50    HD2  PRO   7           HD1      PRO   7   7.159  -0.283  -5.040
   51    HD3  PRO   7           HD2      PRO   7   7.283  -2.053  -5.070
   52    H    PHE   8           H        PHE   8   8.690   1.065  -3.232
   53    HA   PHE   8           HA       PHE   8  11.136   2.452  -2.685
   54    HB2  PHE   8           HB1      PHE   8   8.270   3.413  -2.796
   55    HB3  PHE   8           HB2      PHE   8   9.665   4.472  -2.608
   56    HD1  PHE   8           HD2      PHE   8  11.383   4.544  -4.446
   57    HD2  PHE   8           HD1      PHE   8   7.589   2.670  -4.907
   58    HE1  PHE   8           HE2      PHE   8  11.630   4.652  -6.892
   59    HE2  PHE   8           HE1      PHE   8   7.831   2.775  -7.354
   60    HZ   PHE   8           HZ       PHE   8   9.852   3.768  -8.349
   61    H    GLY   9           H        GLY   9   8.604   1.104  -0.783
   62    HA2  GLY   9           HA1      GLY   9   9.100   0.729   1.574
   63    HA3  GLY   9           HA2      GLY   9   9.803   2.340   1.616
   64    H    SER  10           H        SER  10   7.612   3.483   0.015
   65    HA   SER  10           HA       SER  10   5.958   4.347   2.102
   66    HB2  SER  10           HB1      SER  10   4.692   5.508   0.438
   67    HB3  SER  10           HB2      SER  10   6.370   5.521  -0.105
   68    HG   SER  10           HG       SER  10   5.561   4.709  -1.866
   69    H    THR  11           H        THR  11   3.811   3.901   2.632
   70    HA   THR  11           HA       THR  11   2.988   1.165   2.032
   71    HB   THR  11           HB       THR  11   1.839   3.131   4.025
   72    HG1  THR  11           HG1      THR  11   3.755   2.574   4.874
   73   HG21  THR  11          HG21      THR  11   0.249   1.389   3.250
   74   HG22  THR  11          HG22      THR  11   0.660   1.238   4.958
   75   HG23  THR  11          HG23      THR  11   1.393   0.155   3.776
   76    H    LEU  12           H        LEU  12   1.515   0.738   0.536
   77    HA   LEU  12           HA       LEU  12  -0.432   2.835  -0.164
   78    HB2  LEU  12           HB1      LEU  12   1.230   1.051  -1.854
   79    HB3  LEU  12           HB2      LEU  12  -0.406   1.404  -2.406
   80    HG   LEU  12           HG       LEU  12   0.337   3.894  -2.024
   81   HD11  LEU  12          HD11      LEU  12   2.451   3.643  -1.054
   82   HD12  LEU  12          HD12      LEU  12   2.782   4.067  -2.732
   83   HD13  LEU  12          HD13      LEU  12   2.929   2.391  -2.202
   84   HD21  LEU  12          HD21      LEU  12   0.970   2.078  -4.321
   85   HD22  LEU  12          HD22      LEU  12   1.362   3.796  -4.389
   86   HD23  LEU  12          HD23      LEU  12  -0.311   3.282  -4.169
   87    H    CYS  13           H        CYS  13  -2.553   2.245  -0.442
   88    HA   CYS  13           HA       CYS  13  -3.253  -0.585  -0.154
   89    HB2  CYS  13           HB1      CYS  13  -4.172   1.664   1.628
   90    HB3  CYS  13           HB2      CYS  13  -5.114   0.187   1.442
   91    H    ALA  14           H        ALA  14  -5.336  -1.132  -0.938
   92    HA   ALA  14           HA       ALA  14  -6.384   0.824  -2.863
   93    HB1  ALA  14           HB1      ALA  14  -6.188  -2.137  -2.840
   94    HB2  ALA  14           HB2      ALA  14  -7.558  -1.410  -3.678
   95    HB3  ALA  14           HB3      ALA  14  -5.912  -0.992  -4.153
   96    HA   PRO  15           HA       PRO  15 -10.256   1.213  -0.835
   97    HB2  PRO  15           HB1      PRO  15 -12.004   1.245  -2.912
   98    HB3  PRO  15           HB2      PRO  15 -10.912   2.588  -2.556
   99    HG2  PRO  15           HG1      PRO  15 -10.629   0.404  -4.583
  100    HG3  PRO  15           HG2      PRO  15 -10.296   2.137  -4.752
  101    HD2  PRO  15           HD1      PRO  15  -8.339   0.312  -4.344
  102    HD3  PRO  15           HD2      PRO  15  -8.240   1.971  -3.722
  103    H    ASP  16           H        ASP  16  -9.620  -1.547  -2.777
  104    HA   ASP  16           HA       ASP  16 -12.047  -2.947  -2.482
  105    HB2  ASP  16           HB1      ASP  16  -9.224  -3.961  -2.861
  106    HB3  ASP  16           HB2      ASP  16 -10.660  -4.975  -2.956
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -9.559  -2.545  -0.338
    2    HA2  GLY   1           HA1      GLY   1  -9.446  -3.676   1.818
    3    HA3  GLY   1           HA2      GLY   1 -10.030  -5.126   1.016
    4    H    ILE   2           H        ILE   2  -8.147  -4.326  -1.289
    5    HA   ILE   2           HA       ILE   2  -6.029  -6.047  -0.569
    6    HB   ILE   2           HB       ILE   2  -6.080  -4.048  -2.832
    7   HG12  ILE   2          HG12      ILE   2  -6.931  -6.951  -2.819
    8   HG13  ILE   2          HG11      ILE   2  -8.034  -5.579  -2.835
    9   HG21  ILE   2          HG21      ILE   2  -4.513  -5.684  -3.888
   10   HG22  ILE   2          HG22      ILE   2  -3.860  -4.849  -2.479
   11   HG23  ILE   2          HG23      ILE   2  -4.425  -6.513  -2.333
   12   HD11  ILE   2          HD11      ILE   2  -6.594  -4.956  -4.977
   13   HD12  ILE   2          HD12      ILE   2  -6.371  -6.705  -5.000
   14   HD13  ILE   2          HD13      ILE   2  -7.996  -6.023  -5.048
   15    H    CYS   3           H        CYS   3  -3.963  -5.668   0.095
   16    HA   CYS   3           HA       CYS   3  -3.080  -2.900   0.441
   17    HB2  CYS   3           HB1      CYS   3  -3.513  -4.911   2.612
   18    HB3  CYS   3           HB2      CYS   3  -2.173  -3.778   2.759
   19    H    PHE   4           H        PHE   4  -1.097  -2.672  -0.336
   20    HA   PHE   4           HA       PHE   4   0.828  -4.856  -0.054
   21    HB2  PHE   4           HB1      PHE   4   1.521  -4.689  -2.390
   22    HB3  PHE   4           HB2      PHE   4  -0.185  -5.115  -2.288
   23    HD1  PHE   4           HD1      PHE   4   2.211  -2.480  -3.148
   24    HD2  PHE   4           HD2      PHE   4  -1.890  -3.612  -3.049
   25    HE1  PHE   4           HE1      PHE   4   1.656  -0.578  -4.605
   26    HE2  PHE   4           HE2      PHE   4  -2.453  -1.710  -4.507
   27    HZ   PHE   4           HZ       PHE   4  -0.679  -0.190  -5.286
   28    H    LYS   5           H        LYS   5   3.056  -4.174  -0.412
   29    HA   LYS   5           HA       LYS   5   3.419  -1.301   0.134
   30    HB2  LYS   5           HB1      LYS   5   5.547  -2.021   1.285
   31    HB3  LYS   5           HB2      LYS   5   4.057  -2.510   2.082
   32    HG2  LYS   5           HG1      LYS   5   4.332  -4.738   1.514
   33    HG3  LYS   5           HG2      LYS   5   5.441  -4.368   0.192
   34    HD2  LYS   5           HD1      LYS   5   6.846  -5.216   1.840
   35    HD3  LYS   5           HD2      LYS   5   6.993  -3.469   2.051
   36    HE2  LYS   5           HE2      LYS   5   6.672  -4.121   4.223
   37    HE3  LYS   5           HE1      LYS   5   5.004  -3.834   3.731
   38    HZ1  LYS   5           HZ1      LYS   5   4.681  -6.159   3.399
   39    HZ2  LYS   5           HZ2      LYS   5   5.349  -5.949   4.938
   40    HZ3  LYS   5           HZ3      LYS   5   6.318  -6.493   3.664
   41    H    ASP   6           H        ASP   6   4.866  -0.163  -1.054
   42    HA   ASP   6           HA       ASP   6   5.815  -1.368  -3.493
   43    HB2  ASP   6           HB1      ASP   6   5.654   1.387  -2.381
   44    HB3  ASP   6           HB2      ASP   6   6.875   1.085  -3.615
   45    HA   PRO   7           HA       PRO   7   9.977  -2.239  -2.420
   46    HB2  PRO   7           HB1      PRO   7  11.334  -1.446  -4.634
   47    HB3  PRO   7           HB2      PRO   7  10.306  -2.883  -4.601
   48    HG2  PRO   7           HG1      PRO   7   9.698  -0.143  -5.642
   49    HG3  PRO   7           HG2      PRO   7   9.321  -1.721  -6.357
   50    HD2  PRO   7           HD1      PRO   7   7.486  -0.260  -5.004
   51    HD3  PRO   7           HD2      PRO   7   7.479  -2.035  -5.007
   52    H    PHE   8           H        PHE   8   9.072   1.001  -3.181
   53    HA   PHE   8           HA       PHE   8  11.615   2.182  -2.535
   54    HB2  PHE   8           HB1      PHE   8   8.941   3.574  -2.702
   55    HB3  PHE   8           HB2      PHE   8  10.537   4.296  -2.871
   56    HD1  PHE   8           HD2      PHE   8  11.982   3.422  -4.839
   57    HD2  PHE   8           HD1      PHE   8   7.759   2.957  -4.585
   58    HE1  PHE   8           HE2      PHE   8  11.875   3.093  -7.276
   59    HE2  PHE   8           HE1      PHE   8   7.644   2.626  -7.020
   60    HZ   PHE   8           HZ       PHE   8   9.704   2.693  -8.369
   61    H    GLY   9           H        GLY   9   8.822   1.165  -0.804
   62    HA2  GLY   9           HA1      GLY   9   9.032   0.852   1.589
   63    HA3  GLY   9           HA2      GLY   9   9.962   2.342   1.647
   64    H    SER  10           H        SER  10   7.219   2.381  -0.397
   65    HA   SER  10           HA       SER  10   5.857   4.148   1.502
   66    HB2  SER  10           HB1      SER  10   4.494   4.797  -0.521
   67    HB3  SER  10           HB2      SER  10   6.214   5.167  -0.641
   68    HG   SER  10           HG       SER  10   6.484   3.522  -2.048
   69    H    THR  11           H        THR  11   3.848   3.754   2.283
   70    HA   THR  11           HA       THR  11   2.784   1.068   1.847
   71    HB   THR  11           HB       THR  11   1.595   2.973   3.822
   72    HG1  THR  11           HG1      THR  11   4.090   1.625   4.076
   73   HG21  THR  11          HG21      THR  11   2.210   0.192   4.543
   74   HG22  THR  11          HG22      THR  11   1.090   0.372   3.192
   75   HG23  THR  11          HG23      THR  11   0.721   1.114   4.748
   76    H    LEU  12           H        LEU  12   1.120   0.721   0.541
   77    HA   LEU  12           HA       LEU  12  -0.880   2.834   0.173
   78    HB2  LEU  12           HB1      LEU  12   0.444   1.272  -2.039
   79    HB3  LEU  12           HB2      LEU  12  -0.961   2.317  -2.245
   80    HG   LEU  12           HG       LEU  12   1.745   3.271  -1.315
   81   HD11  LEU  12          HD11      LEU  12   0.553   2.985  -4.033
   82   HD12  LEU  12          HD12      LEU  12   2.205   2.693  -3.491
   83   HD13  LEU  12          HD13      LEU  12   1.620   4.345  -3.690
   84   HD21  LEU  12          HD21      LEU  12  -0.898   4.527  -1.724
   85   HD22  LEU  12          HD22      LEU  12   0.501   5.426  -2.309
   86   HD23  LEU  12          HD23      LEU  12   0.404   4.952  -0.613
   87    H    CYS  13           H        CYS  13  -2.961   2.129  -0.077
   88    HA   CYS  13           HA       CYS  13  -3.438  -0.749  -0.338
   89    HB2  CYS  13           HB1      CYS  13  -4.332   1.001   1.941
   90    HB3  CYS  13           HB2      CYS  13  -5.232  -0.446   1.499
   91    H    ALA  14           H        ALA  14  -5.371  -1.295  -1.308
   92    HA   ALA  14           HA       ALA  14  -6.663   0.845  -2.779
   93    HB1  ALA  14           HB1      ALA  14  -7.981  -1.288  -3.640
   94    HB2  ALA  14           HB2      ALA  14  -6.366  -0.886  -4.227
   95    HB3  ALA  14           HB3      ALA  14  -6.571  -2.114  -2.978
   96    HA   PRO  15           HA       PRO  15 -10.333   1.201  -0.400
   97    HB2  PRO  15           HB1      PRO  15 -12.247   1.437  -2.311
   98    HB3  PRO  15           HB2      PRO  15 -11.081   2.718  -1.957
   99    HG2  PRO  15           HG1      PRO  15 -11.048   0.680  -4.149
  100    HG3  PRO  15           HG2      PRO  15 -10.669   2.410  -4.225
  101    HD2  PRO  15           HD1      PRO  15  -8.752   0.501  -4.116
  102    HD3  PRO  15           HD2      PRO  15  -8.541   2.108  -3.391
  103    H    ASP  16           H        ASP  16 -10.072  -1.378  -2.700
  104    HA   ASP  16           HA       ASP  16 -12.368  -2.769  -1.512
  105    HB2  ASP  16           HB1      ASP  16 -10.876  -3.061  -4.096
  106    HB3  ASP  16           HB2      ASP  16 -11.783  -4.427  -3.454
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -9.548  -2.559  -0.270
    2    HA2  GLY   1           HA1      GLY   1  -9.109  -3.789   1.706
    3    HA3  GLY   1           HA2      GLY   1  -9.948  -5.166   1.006
    4    H    ILE   2           H        ILE   2  -7.731  -3.584  -1.061
    5    HA   ILE   2           HA       ILE   2  -5.907  -5.865  -0.818
    6    HB   ILE   2           HB       ILE   2  -6.098  -3.782  -2.998
    7   HG12  ILE   2          HG12      ILE   2  -6.976  -6.679  -2.980
    8   HG13  ILE   2          HG11      ILE   2  -8.056  -5.293  -2.874
    9   HG21  ILE   2          HG21      ILE   2  -4.134  -4.516  -3.720
   10   HG22  ILE   2          HG22      ILE   2  -4.023  -5.597  -2.333
   11   HG23  ILE   2          HG23      ILE   2  -4.778  -6.154  -3.826
   12   HD11  ILE   2          HD11      ILE   2  -8.032  -6.173  -5.118
   13   HD12  ILE   2          HD12      ILE   2  -7.303  -4.566  -5.095
   14   HD13  ILE   2          HD13      ILE   2  -6.279  -5.999  -5.197
   15    H    CYS   3           H        CYS   3  -4.265  -5.550   0.531
   16    HA   CYS   3           HA       CYS   3  -2.994  -2.894   0.607
   17    HB2  CYS   3           HB1      CYS   3  -3.458  -4.985   2.683
   18    HB3  CYS   3           HB2      CYS   3  -2.006  -3.997   2.814
   19    H    PHE   4           H        PHE   4  -1.043  -2.720  -0.261
   20    HA   PHE   4           HA       PHE   4   0.808  -4.969  -0.162
   21    HB2  PHE   4           HB1      PHE   4   1.340  -4.780  -2.563
   22    HB3  PHE   4           HB2      PHE   4  -0.331  -5.269  -2.301
   23    HD1  PHE   4           HD2      PHE   4  -2.142  -3.524  -2.502
   24    HD2  PHE   4           HD1      PHE   4   1.858  -2.868  -3.803
   25    HE1  PHE   4           HE2      PHE   4  -2.910  -1.660  -3.913
   26    HE2  PHE   4           HE1      PHE   4   1.096  -1.003  -5.214
   27    HZ   PHE   4           HZ       PHE   4  -1.290  -0.396  -5.270
   28    H    LYS   5           H        LYS   5   2.857  -4.342   0.177
   29    HA   LYS   5           HA       LYS   5   3.382  -1.486   0.380
   30    HB2  LYS   5           HB1      LYS   5   5.339  -2.090   1.631
   31    HB3  LYS   5           HB2      LYS   5   3.998  -3.066   2.217
   32    HG2  LYS   5           HG1      LYS   5   4.789  -4.972   0.956
   33    HG3  LYS   5           HG2      LYS   5   6.088  -4.000   0.259
   34    HD2  LYS   5           HD1      LYS   5   7.169  -5.106   1.984
   35    HD3  LYS   5           HD2      LYS   5   6.743  -3.567   2.736
   36    HE2  LYS   5           HE2      LYS   5   4.754  -4.613   3.720
   37    HE3  LYS   5           HE1      LYS   5   5.202  -6.149   2.981
   38    HZ1  LYS   5           HZ1      LYS   5   5.861  -5.555   5.442
   39    HZ2  LYS   5           HZ2      LYS   5   7.182  -4.826   4.677
   40    HZ3  LYS   5           HZ3      LYS   5   6.880  -6.475   4.454
   41    H    ASP   6           H        ASP   6   4.866  -0.369  -0.808
   42    HA   ASP   6           HA       ASP   6   5.739  -1.630  -3.279
   43    HB2  ASP   6           HB1      ASP   6   5.428   1.169  -2.308
   44    HB3  ASP   6           HB2      ASP   6   6.621   0.872  -3.570
   45    HA   PRO   7           HA       PRO   7   9.972  -2.157  -2.259
   46    HB2  PRO   7           HB1      PRO   7  11.228  -1.395  -4.541
   47    HB3  PRO   7           HB2      PRO   7  10.303  -2.895  -4.409
   48    HG2  PRO   7           HG1      PRO   7   9.487  -0.262  -5.577
   49    HG3  PRO   7           HG2      PRO   7   9.206  -1.897  -6.202
   50    HD2  PRO   7           HD1      PRO   7   7.301  -0.493  -4.884
   51    HD3  PRO   7           HD2      PRO   7   7.417  -2.263  -4.795
   52    H    PHE   8           H        PHE   8   8.824   0.965  -3.149
   53    HA   PHE   8           HA       PHE   8  11.278   2.375  -2.693
   54    HB2  PHE   8           HB1      PHE   8   8.425   3.371  -2.842
   55    HB3  PHE   8           HB2      PHE   8   9.851   4.402  -2.797
   56    HD1  PHE   8           HD2      PHE   8  11.468   4.340  -4.691
   57    HD2  PHE   8           HD1      PHE   8   7.697   2.374  -4.848
   58    HE1  PHE   8           HE2      PHE   8  11.639   4.217  -7.142
   59    HE2  PHE   8           HE1      PHE   8   7.861   2.247  -7.300
   60    HZ   PHE   8           HZ       PHE   8   9.835   3.169  -8.450
   61    H    GLY   9           H        GLY   9   8.733   1.169  -0.717
   62    HA2  GLY   9           HA1      GLY   9   9.275   0.962   1.669
   63    HA3  GLY   9           HA2      GLY   9   9.889   2.607   1.591
   64    H    SER  10           H        SER  10   7.518   3.267  -0.202
   65    HA   SER  10           HA       SER  10   5.798   4.133   1.929
   66    HB2  SER  10           HB1      SER  10   5.936   4.566  -1.022
   67    HB3  SER  10           HB2      SER  10   4.405   4.880  -0.206
   68    HG   SER  10           HG       SER  10   5.939   6.098   1.324
   69    H    THR  11           H        THR  11   3.599   3.622   2.204
   70    HA   THR  11           HA       THR  11   2.901   0.931   1.259
   71    HB   THR  11           HB       THR  11   2.942   1.251   3.704
   72    HG1  THR  11           HG1      THR  11   0.222   0.961   3.030
   73   HG21  THR  11          HG21      THR  11   1.335   2.664   4.816
   74   HG22  THR  11          HG22      THR  11   0.626   3.138   3.272
   75   HG23  THR  11          HG23      THR  11   2.264   3.644   3.682
   76    H    LEU  12           H        LEU  12   1.170   0.568  -0.002
   77    HA   LEU  12           HA       LEU  12  -0.705   2.790  -0.464
   78    HB2  LEU  12           HB1      LEU  12   1.112   2.206  -2.284
   79    HB3  LEU  12           HB2      LEU  12  -0.029   0.924  -2.683
   80    HG   LEU  12           HG       LEU  12  -0.356   2.829  -4.139
   81   HD11  LEU  12          HD11      LEU  12  -2.657   2.909  -4.020
   82   HD12  LEU  12          HD12      LEU  12  -2.672   2.951  -2.257
   83   HD13  LEU  12          HD13      LEU  12  -2.299   1.448  -3.100
   84   HD21  LEU  12          HD21      LEU  12   0.108   4.311  -1.754
   85   HD22  LEU  12          HD22      LEU  12  -1.480   4.746  -2.384
   86   HD23  LEU  12          HD23      LEU  12  -0.052   4.901  -3.408
   87    H    CYS  13           H        CYS  13  -2.643   2.185   0.217
   88    HA   CYS  13           HA       CYS  13  -3.444  -0.630  -0.128
   89    HB2  CYS  13           HB1      CYS  13  -3.917   1.351   2.043
   90    HB3  CYS  13           HB2      CYS  13  -5.211   0.212   1.689
   91    H    ALA  14           H        ALA  14  -5.455  -1.107  -0.978
   92    HA   ALA  14           HA       ALA  14  -6.707   1.083  -2.469
   93    HB1  ALA  14           HB1      ALA  14  -6.817  -0.378  -4.131
   94    HB2  ALA  14           HB2      ALA  14  -6.082  -1.608  -3.102
   95    HB3  ALA  14           HB3      ALA  14  -7.837  -1.433  -3.152
   96    HA   PRO  15           HA       PRO  15 -10.413   1.126  -0.122
   97    HB2  PRO  15           HB1      PRO  15 -12.316   1.409  -2.037
   98    HB3  PRO  15           HB2      PRO  15 -11.210   2.710  -1.582
   99    HG2  PRO  15           HG1      PRO  15 -11.068   0.828  -3.906
  100    HG3  PRO  15           HG2      PRO  15 -10.761   2.574  -3.861
  101    HD2  PRO  15           HD1      PRO  15  -8.766   0.743  -3.855
  102    HD3  PRO  15           HD2      PRO  15  -8.631   2.305  -3.021
  103    H    ASP  16           H        ASP  16 -10.034  -1.274  -2.598
  104    HA   ASP  16           HA       ASP  16 -12.276  -2.838  -1.532
  105    HB2  ASP  16           HB1      ASP  16 -12.330  -4.019  -3.542
  106    HB3  ASP  16           HB2      ASP  16 -11.898  -2.391  -4.060
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -9.636  -2.336  -0.300
    2    HA2  GLY   1           HA1      GLY   1  -9.096  -3.222   1.776
    3    HA3  GLY   1           HA2      GLY   1 -10.020  -4.662   1.370
    4    H    ILE   2           H        ILE   2  -7.711  -3.675  -0.954
    5    HA   ILE   2           HA       ILE   2  -6.030  -5.963  -0.225
    6    HB   ILE   2           HB       ILE   2  -6.098  -4.372  -2.793
    7   HG12  ILE   2          HG12      ILE   2  -8.145  -5.655  -2.487
    8   HG13  ILE   2          HG11      ILE   2  -7.155  -6.407  -3.734
    9   HG21  ILE   2          HG21      ILE   2  -3.919  -5.277  -2.523
   10   HG22  ILE   2          HG22      ILE   2  -4.560  -6.828  -1.981
   11   HG23  ILE   2          HG23      ILE   2  -4.771  -6.324  -3.657
   12   HD11  ILE   2          HD11      ILE   2  -8.018  -8.150  -2.408
   13   HD12  ILE   2          HD12      ILE   2  -6.323  -7.977  -1.953
   14   HD13  ILE   2          HD13      ILE   2  -7.587  -7.325  -0.910
   15    H    CYS   3           H        CYS   3  -4.341  -5.495   1.013
   16    HA   CYS   3           HA       CYS   3  -3.013  -2.896   0.705
   17    HB2  CYS   3           HB1      CYS   3  -3.327  -4.822   2.951
   18    HB3  CYS   3           HB2      CYS   3  -1.833  -3.893   2.888
   19    H    PHE   4           H        PHE   4  -1.001  -2.725  -0.073
   20    HA   PHE   4           HA       PHE   4   0.727  -5.074  -0.174
   21    HB2  PHE   4           HB1      PHE   4   1.258  -4.548  -2.598
   22    HB3  PHE   4           HB2      PHE   4  -0.323  -5.265  -2.300
   23    HD1  PHE   4           HD1      PHE   4   1.415  -2.069  -2.970
   24    HD2  PHE   4           HD2      PHE   4  -2.290  -4.163  -2.936
   25    HE1  PHE   4           HE1      PHE   4   0.348  -0.193  -4.152
   26    HE2  PHE   4           HE2      PHE   4  -3.362  -2.290  -4.118
   27    HZ   PHE   4           HZ       PHE   4  -2.043  -0.302  -4.728
   28    H    LYS   5           H        LYS   5   2.878  -4.606  -0.060
   29    HA   LYS   5           HA       LYS   5   3.559  -1.849   0.560
   30    HB2  LYS   5           HB1      LYS   5   4.963  -4.487   0.879
   31    HB3  LYS   5           HB2      LYS   5   5.846  -2.975   1.045
   32    HG2  LYS   5           HG1      LYS   5   3.552  -2.690   2.623
   33    HG3  LYS   5           HG2      LYS   5   4.160  -4.317   2.935
   34    HD2  LYS   5           HD1      LYS   5   6.206  -2.202   2.846
   35    HD3  LYS   5           HD2      LYS   5   5.058  -2.086   4.183
   36    HE2  LYS   5           HE2      LYS   5   5.552  -4.495   4.684
   37    HE3  LYS   5           HE1      LYS   5   6.842  -4.413   3.485
   38    HZ1  LYS   5           HZ1      LYS   5   7.343  -3.982   5.985
   39    HZ2  LYS   5           HZ2      LYS   5   6.773  -2.426   5.647
   40    HZ3  LYS   5           HZ3      LYS   5   8.099  -3.042   4.798
   41    H    ASP   6           H        ASP   6   4.468  -0.500  -0.837
   42    HA   ASP   6           HA       ASP   6   5.133  -1.330  -3.487
   43    HB2  ASP   6           HB1      ASP   6   5.073   1.242  -1.994
   44    HB3  ASP   6           HB2      ASP   6   6.091   1.168  -3.430
   45    HA   PRO   7           HA       PRO   7   9.436  -2.127  -3.215
   46    HB2  PRO   7           HB1      PRO   7  10.392  -0.980  -5.482
   47    HB3  PRO   7           HB2      PRO   7   9.424  -2.458  -5.488
   48    HG2  PRO   7           HG1      PRO   7   8.578   0.362  -6.028
   49    HG3  PRO   7           HG2      PRO   7   8.134  -1.124  -6.889
   50    HD2  PRO   7           HD1      PRO   7   6.504   0.052  -5.074
   51    HD3  PRO   7           HD2      PRO   7   6.546  -1.706  -5.323
   52    H    PHE   8           H        PHE   8   8.310   1.118  -3.297
   53    HA   PHE   8           HA       PHE   8  10.911   2.316  -2.890
   54    HB2  PHE   8           HB1      PHE   8   8.120   3.475  -2.782
   55    HB3  PHE   8           HB2      PHE   8   9.592   4.418  -2.585
   56    HD1  PHE   8           HD2      PHE   8  11.195   4.592  -4.491
   57    HD2  PHE   8           HD1      PHE   8   7.322   2.875  -4.912
   58    HE1  PHE   8           HE2      PHE   8  11.338   4.877  -6.930
   59    HE2  PHE   8           HE1      PHE   8   7.460   3.157  -7.353
   60    HZ   PHE   8           HZ       PHE   8   9.468   4.159  -8.365
   61    H    GLY   9           H        GLY   9   8.379   1.003  -0.966
   62    HA2  GLY   9           HA1      GLY   9   8.913   0.410   1.326
   63    HA3  GLY   9           HA2      GLY   9   9.795   1.925   1.453
   64    H    SER  10           H        SER  10   7.492   3.213  -0.084
   65    HA   SER  10           HA       SER  10   6.143   4.278   2.128
   66    HB2  SER  10           HB1      SER  10   5.869   5.743   0.420
   67    HB3  SER  10           HB2      SER  10   5.927   4.474  -0.804
   68    HG   SER  10           HG       SER  10   3.862   5.447  -0.685
   69    H    THR  11           H        THR  11   3.830   4.165   2.598
   70    HA   THR  11           HA       THR  11   2.861   1.402   2.365
   71    HB   THR  11           HB       THR  11   1.692   3.441   4.238
   72    HG1  THR  11           HG1      THR  11   3.930   3.419   4.663
   73   HG21  THR  11          HG21      THR  11   1.873   0.903   5.405
   74   HG22  THR  11          HG22      THR  11   1.391   0.617   3.733
   75   HG23  THR  11          HG23      THR  11   0.428   1.679   4.758
   76    H    LEU  12           H        LEU  12   1.437   1.090   0.787
   77    HA   LEU  12           HA       LEU  12  -0.675   3.100   0.392
   78    HB2  LEU  12           HB1      LEU  12   1.084   1.783  -1.628
   79    HB3  LEU  12           HB2      LEU  12  -0.568   2.211  -2.069
   80    HG   LEU  12           HG       LEU  12   1.219   4.294  -0.890
   81   HD11  LEU  12          HD11      LEU  12   1.490   4.670  -3.582
   82   HD12  LEU  12          HD12      LEU  12   1.635   2.918  -3.434
   83   HD13  LEU  12          HD13      LEU  12   2.714   3.972  -2.521
   84   HD21  LEU  12          HD21      LEU  12  -1.176   4.732  -1.265
   85   HD22  LEU  12          HD22      LEU  12  -0.954   4.387  -2.980
   86   HD23  LEU  12          HD23      LEU  12  -0.138   5.769  -2.245
   87    H    CYS  13           H        CYS  13  -2.714   2.317  -0.112
   88    HA   CYS  13           HA       CYS  13  -3.049  -0.599  -0.168
   89    HB2  CYS  13           HB1      CYS  13  -4.307   1.354   1.733
   90    HB3  CYS  13           HB2      CYS  13  -5.159  -0.122   1.291
   91    H    ALA  14           H        ALA  14  -5.286  -1.227  -0.848
   92    HA   ALA  14           HA       ALA  14  -6.195   0.596  -2.965
   93    HB1  ALA  14           HB1      ALA  14  -6.234  -1.182  -4.287
   94    HB2  ALA  14           HB2      ALA  14  -5.623  -2.166  -2.957
   95    HB3  ALA  14           HB3      ALA  14  -7.360  -1.995  -3.201
   96    HA   PRO  15           HA       PRO  15 -10.128   1.252  -1.136
   97    HB2  PRO  15           HB1      PRO  15 -11.789   1.178  -3.283
   98    HB3  PRO  15           HB2      PRO  15 -10.669   2.513  -2.979
   99    HG2  PRO  15           HG1      PRO  15 -10.375   0.175  -4.826
  100    HG3  PRO  15           HG2      PRO  15  -9.980   1.881  -5.108
  101    HD2  PRO  15           HD1      PRO  15  -8.101   0.034  -4.483
  102    HD3  PRO  15           HD2      PRO  15  -7.974   1.732  -3.982
  103    H    ASP  16           H        ASP  16  -9.596  -1.634  -2.978
  104    HA   ASP  16           HA       ASP  16 -12.029  -2.866  -1.890
  105    HB2  ASP  16           HB1      ASP  16 -11.376  -4.758  -3.484
  106    HB3  ASP  16           HB2      ASP  16 -11.907  -3.247  -4.218