*HEADER    DE NOVO PROTEIN                         17-JUL-16   2NDL              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 22 (PDP-22)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS DERIVED PEPTIDE;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 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 THROUGH NATIVE CHEMICAL LIGATION.                           
*KEYWDS    PDP, PAWS DERIVED PEPTIDE, PLANT PEPTIDE, CYCLIC PEPTIDE, DE NOVO     
*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   07-DEC-16 2NDL    0                                                


  2 PRO  HA      3 CYSS H       2.99            #peak 5 #SUP 0.61 #QF 0.61
  3 CYSS H       3 CYSS HB2     3.62            #peak 8 #SUP 0.87 #QF 0.87
  3 CYSS HA      4 PHE  H       2.78            #peak 9 #SUP 0.75 #QF 0.75
  4 PHE  HA      5 PRO  HD2     3.45            #peak 13 #SUP 1.00
  4 PHE  HA      5 PRO  HD3     3.45            #peak 14 #SUP 1.00
  5 PRO  HA      6 MET  H       3.28            #peak 15 #SUP 0.92 #QF 0.92
  6 MET  H       6 MET  QG      4.91            #peak 17 #SUP 1.00
  6 MET  H       6 MET  HB2     4.13            #peak 18 #SUP 1.00
  6 MET  H       6 MET  HB3     3.91            #peak 19 #SUP 1.00
  6 MET  HA      7 GLY  H       3.26            #peak 20 #SUP 0.83 #QF 0.83
  7 GLY  HA3     9 TRP  H       4.36            #peak 23 #SUP 1.00 #QF 0.53
 10 GLY  HA3    11 PRO  HD2     3.75            #peak 30 #SUP 0.88 #QF 0.88
 10 GLY  HA3    11 PRO  HD3     3.75            #peak 31 #SUP 1.00
 11 PRO  HA     12 PHE  H       2.85            #peak 32 #SUP 0.67 #QF 0.67
 12 PHE  HA     13 CYSS H       2.89            #peak 36 #SUP 0.83 #QF 0.83
 13 CYSS H      13 CYSS HB2     3.44            #peak 37 #SUP 0.73 #QF 0.73
 13 CYSS H      13 CYSS HB3     4.20            #peak 38 #SUP 1.00
 13 CYSS HA     14 ILE  H       2.86            #peak 39 #SUP 0.67 #QF 0.67
 14 ILE  HA     15 PRO  HD2     3.61            #peak 41 #SUP 1.00
 14 ILE  HA     15 PRO  HD3     3.61            #peak 42 #SUP 1.00
  1 GLY  H      16 ASP  HA      3.64            #peak 47 #SUP 0.60 #QF 0.60
  7 GLY  HA2     8 PRO  QD      3.27            #peak 48 #SUP 0.93 #QF 0.93
  3 CYSS HB3    13 CYSS HA      3.75            #peak 61 #SUP 1.00 #QF 0.49
 14 ILE  H      14 ILE  HB      3.72            #peak 66 #SUP 0.95 #QF 0.95
 14 ILE  H      14 ILE  QG2     4.42            #peak 70 #SUP 1.00
 14 ILE  H      14 ILE  QD1     4.88            #peak 70 #SUP 1.00
 14 ILE  HA     14 ILE  QG2     3.66            #peak 78 #SUP 1.00
  7 GLY  HA3     8 PRO  QD      3.31            #peak 104 #SUP 0.99 #QF 0.56
  7 GLY  HA3     8 PRO  HG2     5.50            #peak 106 #SUP 1.00 #QF 0.53
  7 GLY  HA3     8 PRO  HG3     5.50            #peak 107 #SUP 1.00 #QF 0.55
  2 PRO  HB3     3 CYSS H       4.05            #peak 143 #SUP 1.00
  3 CYSS HB3     4 PHE  H       3.71            #peak 146 #SUP 0.94 #QF 0.94
  3 CYSS HB2     4 PHE  H       4.42            #peak 147 #SUP 0.99 #QF 0.99
  6 MET  HB3     7 GLY  H       4.29            #peak 155 #SUP 0.99 #QF 0.99
  6 MET  HB2     7 GLY  H       4.63            #peak 156 #SUP 1.00
  7 GLY  H       8 PRO  QD      4.40            #peak 157 #SUP 0.96 #QF 0.96
  8 PRO  QD      9 TRP  H       3.81            #peak 158 #SUP 0.89 #QF 0.89
 11 PRO  HB2    12 PHE  H       4.62            #peak 165 #SUP 0.94 #QF 0.94
 11 PRO  HB3    12 PHE  H       4.62            #peak 166 #SUP 0.99 #QF 0.99
 13 CYSS HB2    14 ILE  H       4.37            #peak 170 #SUP 1.00
 13 CYSS HB3    14 ILE  H       3.86            #peak 171 #SUP 0.96 #QF 0.96
 15 PRO  HB2    16 ASP  H       4.47            #peak 173 #SUP 1.00
 15 PRO  HB3    16 ASP  H       4.47            #peak 174 #SUP 1.00
  3 CYSS HA     13 CYSS HB3     3.98            #peak 179 #SUP 1.00
  3 CYSS HA     13 CYSS HB2     4.68            #peak 184 #SUP 1.00
  5 PRO  HD2     6 MET  H       5.21            #peak 194 #SUP 0.99 #QF 0.99
  1 GLY  H      16 ASP  H       3.38            #peak 196 #SUP 0.70 #QF 0.70
  1 GLY  H      14 ILE  HB      4.27            #peak 209 #SUP 0.83 #QF 0.83
  1 GLY  H      14 ILE  QD1     4.37            #peak 210 #SUP 0.50 #QF 0.50
  2 PRO  QD     14 ILE  QD1     3.71            #peak 212 #SUP 0.42 #QF 0.42
 11 PRO  QG     12 PHE  H       4.82            #peak 218 #SUP 1.00
  3 CYSS H      13 CYSS HB3     4.39            #peak 220 #SUP 0.97 #QF 0.97
  3 CYSS HB3    13 CYSS H       4.03            #peak 222 #SUP 0.95 #QF 0.95
  2 PRO  QD     14 ILE  H       5.42            #peak 223 #SUP 0.77 #QF 0.77
 14 ILE  QG2    15 PRO  HD3     4.29            #peak 225 #SUP 0.75 #QF 0.75
  4 PHE  HB3    12 PHE  H       5.50            #peak 227 #SUP 0.99 #QF 0.99
  4 PHE  HB3     6 MET  H       4.76            #peak 229 #SUP 0.89 #QF 0.89
  4 PHE  HB2    12 PHE  H       5.50            #peak 230 #SUP 0.94 #QF 0.94
  4 PHE  HB2     6 MET  H       4.76            #peak 231 #SUP 0.96 #QF 0.96
  1 GLY  H      15 PRO  HA      4.35            #peak 233 #SUP 0.70 #QF 0.70
 12 PHE  QD     14 ILE  QG2     4.16            #peak 236 #SUP 0.79 #QF 0.79
  4 PHE  QE     14 ILE  QD1     4.09            #peak 237 #SUP 0.43 #QF 0.43
  4 PHE  QD     14 ILE  QD1     4.17            #peak 238 #SUP 0.42 #QF 0.42
  5 PRO  HA     12 PHE  H       4.60            #peak 249 #SUP 0.91 #QF 0.91
  5 PRO  HD3     6 MET  H       5.21            #peak 252 #SUP 0.99 #QF 0.99
 11 PRO  HA     12 PHE  QD      4.51            #peak 258 #SUP 0.69 #QF 0.69
 12 PHE  QD     13 CYSS HA      4.85            #peak 260 #SUP 0.97 #QF 0.97
  2 PRO  HB2     4 PHE  QE      5.11            #peak 262 #SUP 0.65 #QF 0.65
  2 PRO  HB2     4 PHE  QD      4.74            #peak 263 #SUP 0.60 #QF 0.60
 12 PHE  QE     14 ILE  QG2     4.20            #peak 264 #SUP 0.88 #QF 0.80
  7 GLY  HA3    10 GLY  H       4.55            #peak 268 #SUP 0.63 #QF 0.63
  4 PHE  QE      5 PRO  QG      5.50            #peak 272 #SUP 0.94 #QF 0.94
  4 PHE  QD      5 PRO  QG      5.08            #peak 274 #SUP 0.71 #QF 0.71
  6 MET  H      10 GLY  HA2     4.32            #peak 291 #SUP 0.85 #QF 0.85
  6 MET  H      11 PRO  HA      4.00            #peak 292 #SUP 0.77 #QF 0.77
 12 PHE  QD     13 CYSS H       4.41            #peak 303 #SUP 0.99 #QF 0.99
  7 GLY  H      10 GLY  HA2     4.79            #peak 311 #SUP 0.89 #QF 0.89
  7 GLY  HA2    12 PHE  QD      5.27            #peak 349 #SUP 1.00
  7 GLY  HA2    12 PHE  QE      4.73            #peak 350 #SUP 0.97 #QF 0.97
  7 GLY  HA3    12 PHE  QD      3.74            #peak 351 #SUP 0.59 #QF 0.59
  7 GLY  HA3    12 PHE  QE      4.11            #peak 352 #SUP 0.75 #QF 0.75
 12 PHE  QD     14 ILE  HA      4.60            #peak 353 #SUP 0.70 #QF 0.70
  3 CYSS HA     13 CYSS H       4.42            #peak 356 #SUP 1.00
  3 CYSS H      13 CYSS HA      4.54            #peak 357 #SUP 1.00
  6 MET  H      10 GLY  H       4.71            #peak 358 #SUP 0.86 #QF 0.86
 12 PHE  H      12 PHE  QD      4.15            #peak 362 #SUP 0.95 #QF 0.95
  5 PRO  HA     11 PRO  HA      3.87            #peak 363 #SUP 0.91 #QF 0.91
  4 PHE  QE     14 ILE  HG12    5.50            #peak 368 #SUP 1.00
  4 PHE  QE     14 ILE  HG13    5.50            #peak 370 #SUP 0.96 #QF 0.96
  3 CYSS HA     14 ILE  H       3.68            #peak 371 #SUP 0.91 #QF 0.91
  4 PHE  H      13 CYSS HA      3.60            #peak 372 #SUP 0.93 #QF 0.93
  3 CYSS HA     12 PHE  H       4.80            #peak 373 #SUP 0.91 #QF 0.91
  4 PHE  QD     13 CYSS HA      5.22            #peak 374 #SUP 0.79 #QF 0.79
  3 CYSS HA      4 PHE  QD      4.34            #peak 375 #SUP 0.68 #QF 0.68
  3 CYSS HA     12 PHE  QD      5.12            #peak 376 #SUP 0.97 #QF 0.97
  3 CYSS HB2    13 CYSS HA      4.37            #peak 385 #SUP 0.97 #QF 0.97
  3 CYSS HA     13 CYSS HA      2.40            #peak 386 #SUP 0.82 #QF 0.82
  4 PHE  H      12 PHE  H       3.60            #peak 395 #SUP 0.79 #QF 0.79
  2 PRO  HB3     4 PHE  QE      5.27            #peak 398 #SUP 0.97 #QF 0.97
  2 PRO  QD      4 PHE  QE      4.96            #peak 400 #SUP 0.97 #QF 0.97
  4 PHE  HA      4 PHE  QE      4.68            #peak 404 #SUP 0.94 #QF 0.94
  4 PHE  HA      4 PHE  QD      3.95            #peak 405 #SUP 0.99 #QF 0.99
 14 ILE  QG2    15 PRO  HD2     4.29            #peak 406 #SUP 0.76 #QF 0.61
  4 PHE  H       4 PHE  QD      4.25            #peak 407 #SUP 0.99 #QF 0.99
  4 PHE  H       4 PHE  QE      5.50            #peak 408 #SUP 1.00
  9 TRP  HA      9 TRP  HD1     4.36            #peak 411 #SUP 0.81 #QF 0.81
  8 PRO  HA      9 TRP  HA      4.66            #peak 426 #SUP 0.66 #QF 0.66
  9 TRP  H      10 GLY  H       3.18            #peak 427 #SUP 0.97 #QF 0.97
  7 GLY  H      10 GLY  H       5.19            #peak 428 #SUP 0.93 #QF 0.93
  2 PRO  QG      4 PHE  QE      4.21            #peak 434 #SUP 0.95 #QF 0.95
  2 PRO  QG      4 PHE  QD      4.64            #peak 436 #SUP 0.98 #QF 0.98
  1 GLY  QA      2 PRO  QD      3.21            #peak 4
  1 GLY  QA     14 ILE  HB      4.42            #peak 211
  4 PHE  H       4 PHE  QB      3.32            #peak 11
  4 PHE  H      12 PHE  QB      5.32            #peak 267
  4 PHE  QB      6 MET  H       4.09            #peak 229
  4 PHE  QB     12 PHE  H       4.63            #peak 230
  4 PHE  QD     14 ILE  QG1     5.13            #peak 369
  4 PHE  QE     14 ILE  QG1     4.72            #peak 368
  5 PRO  HA     11 PRO  QB      4.45            #peak 364
  5 PRO  QB     11 PRO  HA      4.77            #peak 123
  5 PRO  QD      6 MET  H       4.49            #peak 194
  5 PRO  QD      6 MET  HB2     5.35            #peak 420
  8 PRO  QB      9 TRP  H       3.97            #peak 162
  8 PRO  QG      9 TRP  H       3.96            #peak 161
  9 TRP  H       9 TRP  QB      3.39            #peak 25
 10 GLY  HA3    11 PRO  QD      3.26            #peak 30
 11 PRO  QB     12 PHE  H       4.02            #peak 166
 12 PHE  H      12 PHE  QB      3.62            #peak 35
 12 PHE  QB     13 CYSS H       3.42            #peak 167
 12 PHE  QE     14 ILE  QG1     4.62            #peak 367
 14 ILE  H      14 ILE  QG1     3.21            #peak 67
 14 ILE  HA     15 PRO  QD      3.00            #peak 41
 14 ILE  HB     14 ILE  QG1     2.52            #peak 71
 14 ILE  QG2    14 ILE  QG1     3.15            #peak 74
 14 ILE  QG2    15 PRO  QD      3.45            #peak 225
4 PHE  H    12 PHE  O 2.3 
4 PHE  N    12 PHE  O 3.3
12 PHE H 4 PHE O 2.3
12 PHE N 4 PHE O 3.3
14 ILE H 2 PRO O 2.3
14 ILE N 2 PRO O 3.3
#3 CYSS HA 13 CYSS HA 3
5 PRO HA 11 PRO HA 3.5
6 MET H 10 GLY O 2.3
6 MET N 10 GLY O 3.3
10 GLY H 6 MET O 2.3
10 GLY N 6 MET O 3.3
#    2 P  -67.229  -25.300    6.308    5.027    4.555 0.884 25 12 Strong
   #2   PRO  PHI     -87.2   -47.2
   #2   PRO  PSI     -45.3    -5.3

#    3 c  -94.166  -11.080   13.499   16.475    4.672 0.893 25 13 Strong
   #3   CYSS PHI    -121.2   -67.2
   #3   CYSS PSI     -44.0    21.9

#    5 P  -59.520  -33.813    6.450    8.090    2.827 0.866 25 13 Strong
   #5   PRO  PHI     -79.5   -39.5
   #5   PRO  PSI     -53.8   -13.8

#    6 M  -90.183  -10.370   13.378   17.098    1.998 0.852 25 12 Strong
   #6   MET  PHI    -116.9   -63.4
   #6   MET  PSI     -44.6    23.8

#    7 G  -55.717  -55.468    8.023    8.198    0.000 0.858 10 12 Generous
   #7   GLY  PHI     -85.7   -25.7
   #7   GLY  PSI     -85.5   -25.5

#    8 P  -58.661  -35.190    5.948    8.951    0.947 0.869 25 12 Strong
   #8   PRO  PHI     -78.7   -38.7
   #8   PRO  PSI     -55.2   -15.2

#    9 W  -72.109  -31.373   12.433   10.818    1.066 0.884 25 12 Strong
   #9   TRP  PHI     -97.0   -47.2
   #9   TRP  PSI     -53.0    -9.7

#   10 G  153.248  175.070   30.353    9.767    2.873 0.885 25 12 Strong
  #10   GLY  PHI      92.5   214.0
  #10   GLY  PSI     155.1   195.1

#   12 F -124.658  150.542   13.129    9.170    1.902 0.861 25 13 Strong
  #12   PHE  PHI    -150.9   -98.4
  #12   PHE  PSI     130.5   170.5

#   13 c -126.016  140.152   21.741   11.573    2.547 0.852 25 15 Strong
  #13   CYSS PHI    -169.5   -82.5
  #13   CYSS PSI     117.0   163.3

#   14 I -104.356  137.654   25.518   19.737    2.910 0.839 25 13 Strong
  #14   ILE  PHI    -155.4   -53.3
  #14   ILE  PSI      98.2   177.1

#   15 P  -55.650  -32.454    5.001    6.901    1.830 0.838 25 13 Strong
  #15   PRO  PHI     -75.7   -35.6
  #15   PRO  PSI     -52.5   -12.5

#   16 D  -65.054  -26.880    8.342   14.621    2.029 0.829 10 12 Generous
  #16   ASP  PHI     -95.1   -35.1
  #16   ASP  PSI     -70.7    17.0

#CHI1 from Talosn in agreement with original structure
    6   MET  CHI1     -90.0   -30.0
  #12   PHE  CHI1     -90.0   -30.0
  #14   ILE  CHI1     -90.0   -30.0
  #16   ASP  CHI1     -90.0   -30.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -8.518  -2.291   0.041
    2    HA2  GLY   1           HA2      GLY   1  -7.984  -4.809  -1.153
    3    HA3  GLY   1           HA1      GLY   1  -7.026  -3.558  -1.931
    4    HA   PRO   2           HA       PRO   2  -5.072  -5.164   2.098
    5    HB2  PRO   2           HB2      PRO   2  -3.094  -6.664   0.999
    6    HB3  PRO   2           HB1      PRO   2  -4.681  -7.321   1.411
    7    HG2  PRO   2           HG2      PRO   2  -3.635  -6.425  -1.246
    8    HG3  PRO   2           HG1      PRO   2  -4.594  -7.863  -0.849
    9    HD2  PRO   2           HD2      PRO   2  -5.690  -5.633  -1.926
   10    HD3  PRO   2           HD1      PRO   2  -6.574  -6.684  -0.800
   11    H    CYS   3           H        CYS   3  -2.365  -5.320   2.167
   12    HA   CYS   3           HA       CYS   3  -1.564  -2.643   1.265
   13    HB2  CYS   3           HB2      CYS   3   0.002  -4.256   3.246
   14    HB3  CYS   3           HB1      CYS   3  -0.137  -2.508   3.097
   15    H    PHE   4           H        PHE   4   0.460  -2.298   0.289
   16    HA   PHE   4           HA       PHE   4   1.939  -4.664  -0.591
   17    HB2  PHE   4           HB2      PHE   4   0.572  -2.671  -2.366
   18    HB3  PHE   4           HB1      PHE   4   2.050  -3.458  -2.908
   19    HD1  PHE   4           HD2      PHE   4   2.107  -5.907  -3.208
   20    HD2  PHE   4           HD1      PHE   4  -1.494  -3.831  -2.293
   21    HE1  PHE   4           HE2      PHE   4   0.800  -7.860  -3.937
   22    HE2  PHE   4           HE1      PHE   4  -2.808  -5.781  -3.019
   23    HZ   PHE   4           HZ       PHE   4  -1.661  -7.799  -3.844
   24    HA   PRO   5           HA       PRO   5   5.387  -2.110   0.417
   25    HB2  PRO   5           HB2      PRO   5   7.315  -3.510  -0.886
   26    HB3  PRO   5           HB1      PRO   5   6.575  -4.066   0.619
   27    HG2  PRO   5           HG2      PRO   5   5.975  -4.878  -2.199
   28    HG3  PRO   5           HG1      PRO   5   6.127  -5.891  -0.752
   29    HD2  PRO   5           HD2      PRO   5   3.729  -5.155  -1.770
   30    HD3  PRO   5           HD1      PRO   5   3.992  -5.400  -0.032
   31    H    MET   6           H        MET   6   4.460  -0.362  -0.954
   32    HA   MET   6           HA       MET   6   6.307   0.264  -3.102
   33    HB2  MET   6           HB2      MET   6   3.424  -0.320  -3.525
   34    HB3  MET   6           HB1      MET   6   4.098   1.051  -4.397
   35    HG2  MET   6           HG2      MET   6   5.769  -0.374  -5.410
   36    HG3  MET   6           HG1      MET   6   5.187  -1.753  -4.480
   37    HE1  MET   6           HE1      MET   6   2.132  -2.933  -5.823
   38    HE2  MET   6           HE2      MET   6   3.631  -3.577  -6.492
   39    HE3  MET   6           HE3      MET   6   3.563  -3.078  -4.801
   40    H    GLY   7           H        GLY   7   5.559   2.546  -4.046
   41    HA2  GLY   7           HA2      GLY   7   4.983   4.758  -3.636
   42    HA3  GLY   7           HA1      GLY   7   4.301   4.262  -2.094
   43    HA   PRO   8           HA       PRO   8   8.263   6.617  -1.367
   44    HB2  PRO   8           HB2      PRO   8   7.190   8.393   0.383
   45    HB3  PRO   8           HB1      PRO   8   7.198   8.653  -1.365
   46    HG2  PRO   8           HG2      PRO   8   4.992   7.646   0.389
   47    HG3  PRO   8           HG1      PRO   8   4.917   8.814  -0.943
   48    HD2  PRO   8           HD2      PRO   8   4.186   6.223  -1.234
   49    HD3  PRO   8           HD1      PRO   8   4.908   7.166  -2.554
   50    H    TRP   9           H        TRP   9   5.719   5.450   0.780
   51    HA   TRP   9           HA       TRP   9   7.599   5.170   2.989
   52    HB2  TRP   9           HB2      TRP   9   4.636   5.008   2.689
   53    HB3  TRP   9           HB1      TRP   9   5.382   4.117   4.012
   54    HD1  TRP   9           HD       TRP   9   5.181   7.746   2.670
   55    HE1  TRP   9           HE1      TRP   9   5.410   9.346   4.673
   56    HE3  TRP   9           HE3      TRP   9   6.066   4.314   6.356
   57    HZ2  TRP   9           HZ2      TRP   9   5.902   9.177   7.448
   58    HZ3  TRP   9           HZ3      TRP   9   6.406   5.117   8.657
   59    HH2  TRP   9           HH       TRP   9   6.325   7.497   9.190
   60    H    GLY  10           H        GLY  10   5.579   3.133   0.898
   61    HA2  GLY  10           HA2      GLY  10   6.620   1.053   0.100
   62    HA3  GLY  10           HA1      GLY  10   7.239   0.834   1.730
   63    HA   PRO  11           HA       PRO  11   3.776  -1.730   2.572
   64    HB2  PRO  11           HB2      PRO  11   3.717  -1.533   5.280
   65    HB3  PRO  11           HB1      PRO  11   4.945  -2.461   4.410
   66    HG2  PRO  11           HG2      PRO  11   5.116   0.298   5.560
   67    HG3  PRO  11           HG1      PRO  11   6.308  -1.013   5.616
   68    HD2  PRO  11           HD2      PRO  11   6.492   1.050   3.871
   69    HD3  PRO  11           HD1      PRO  11   7.066  -0.585   3.483
   70    H    PHE  12           H        PHE  12   2.314  -0.153   1.524
   71    HA   PHE  12           HA       PHE  12   0.709   1.332   3.499
   72    HB2  PHE  12           HB2      PHE  12   0.205   2.961   1.885
   73    HB3  PHE  12           HB1      PHE  12   1.912   2.619   1.618
   74    HD1  PHE  12           HD2      PHE  12  -1.478   2.229   0.297
   75    HD2  PHE  12           HD1      PHE  12   2.662   1.506  -0.378
   76    HE1  PHE  12           HE2      PHE  12  -1.955   1.720  -2.062
   77    HE2  PHE  12           HE1      PHE  12   2.191   0.996  -2.739
   78    HZ   PHE  12           HZ       PHE  12  -0.120   1.101  -3.583
   79    H    CYS  13           H        CYS  13  -1.520   1.142   3.455
   80    HA   CYS  13           HA       CYS  13  -2.532  -1.143   1.904
   81    HB2  CYS  13           HB2      CYS  13  -3.859   0.067   4.325
   82    HB3  CYS  13           HB1      CYS  13  -4.127  -1.522   3.617
   83    H    ILE  14           H        ILE  14  -4.572  -1.014   0.894
   84    HA   ILE  14           HA       ILE  14  -5.426   1.743   0.308
   85    HB   ILE  14           HB       ILE  14  -6.497   0.564  -1.751
   86   HG12  ILE  14          HG12      ILE  14  -4.294  -1.387  -1.049
   87   HG13  ILE  14          HG11      ILE  14  -6.018  -1.729  -0.970
   88   HG21  ILE  14          HG21      ILE  14  -4.110   1.920  -1.302
   89   HG22  ILE  14          HG22      ILE  14  -3.663   0.535  -2.296
   90   HG23  ILE  14          HG23      ILE  14  -4.904   1.656  -2.854
   91   HD11  ILE  14          HD11      ILE  14  -5.062  -2.664  -2.976
   92   HD12  ILE  14          HD12      ILE  14  -6.178  -1.363  -3.391
   93   HD13  ILE  14          HD13      ILE  14  -4.437  -1.085  -3.447
   94    HA   PRO  15           HA       PRO  15  -9.451   0.989   1.886
   95    HB2  PRO  15           HB2      PRO  15 -11.011   2.350   0.129
   96    HB3  PRO  15           HB1      PRO  15  -9.969   3.152   1.311
   97    HG2  PRO  15           HG2      PRO  15  -9.485   2.634  -1.598
   98    HG3  PRO  15           HG1      PRO  15  -9.158   4.099  -0.653
   99    HD2  PRO  15           HD2      PRO  15  -7.224   2.314  -1.290
  100    HD3  PRO  15           HD1      PRO  15  -7.200   3.252   0.218
  101    H    ASP  16           H        ASP  16  -8.895   0.269  -1.507
  102    HA   ASP  16           HA       ASP  16 -11.296  -1.301  -1.783
  103    HB2  ASP  16           HB2      ASP  16  -8.898  -1.200  -3.622
  104    HB3  ASP  16           HB1      ASP  16 -10.513  -1.779  -4.019
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -8.490  -2.251   0.007
    2    HA2  GLY   1           HA2      GLY   1  -7.984  -4.811  -1.150
    3    HA3  GLY   1           HA1      GLY   1  -7.027  -3.559  -1.930
    4    HA   PRO   2           HA       PRO   2  -5.071  -5.162   2.101
    5    HB2  PRO   2           HB2      PRO   2  -3.094  -6.663   1.002
    6    HB3  PRO   2           HB1      PRO   2  -4.682  -7.320   1.416
    7    HG2  PRO   2           HG2      PRO   2  -3.636  -6.426  -1.243
    8    HG3  PRO   2           HG1      PRO   2  -4.594  -7.864  -0.843
    9    HD2  PRO   2           HD2      PRO   2  -5.691  -5.636  -1.922
   10    HD3  PRO   2           HD1      PRO   2  -6.574  -6.685  -0.796
   11    H    CYS   3           H        CYS   3  -2.365  -5.317   2.170
   12    HA   CYS   3           HA       CYS   3  -1.564  -2.641   1.264
   13    HB2  CYS   3           HB2      CYS   3   0.004  -4.254   3.245
   14    HB3  CYS   3           HB1      CYS   3  -0.136  -2.505   3.095
   15    H    PHE   4           H        PHE   4   0.462  -2.298   0.290
   16    HA   PHE   4           HA       PHE   4   1.939  -4.663  -0.591
   17    HB2  PHE   4           HB2      PHE   4   0.571  -2.671  -2.366
   18    HB3  PHE   4           HB1      PHE   4   2.050  -3.457  -2.909
   19    HD1  PHE   4           HD2      PHE   4   2.106  -5.903  -3.219
   20    HD2  PHE   4           HD1      PHE   4  -1.494  -3.836  -2.281
   21    HE1  PHE   4           HE2      PHE   4   0.799  -7.856  -3.947
   22    HE2  PHE   4           HE1      PHE   4  -2.807  -5.786  -3.007
   23    HZ   PHE   4           HZ       PHE   4  -1.661  -7.799  -3.843
   24    HA   PRO   5           HA       PRO   5   5.388  -2.111   0.414
   25    HB2  PRO   5           HB2      PRO   5   7.315  -3.512  -0.888
   26    HB3  PRO   5           HB1      PRO   5   6.576  -4.067   0.618
   27    HG2  PRO   5           HG2      PRO   5   5.975  -4.880  -2.200
   28    HG3  PRO   5           HG1      PRO   5   6.126  -5.892  -0.752
   29    HD2  PRO   5           HD2      PRO   5   3.727  -5.156  -1.771
   30    HD3  PRO   5           HD1      PRO   5   3.992  -5.401  -0.032
   31    H    MET   6           H        MET   6   4.466  -0.361  -0.953
   32    HA   MET   6           HA       MET   6   6.311   0.264  -3.102
   33    HB2  MET   6           HB2      MET   6   3.428  -0.321  -3.527
   34    HB3  MET   6           HB1      MET   6   4.104   1.050  -4.398
   35    HG2  MET   6           HG2      MET   6   5.859  -0.453  -5.295
   36    HG3  MET   6           HG1      MET   6   5.041  -1.806  -4.516
   37    HE1  MET   6           HE1      MET   6   4.053   0.184  -8.449
   38    HE2  MET   6           HE2      MET   6   4.135   1.261  -7.055
   39    HE3  MET   6           HE3      MET   6   5.525   0.262  -7.480
   40    H    GLY   7           H        GLY   7   5.563   2.546  -4.048
   41    HA2  GLY   7           HA2      GLY   7   4.990   4.757  -3.638
   42    HA3  GLY   7           HA1      GLY   7   4.304   4.262  -2.098
   43    HA   PRO   8           HA       PRO   8   8.265   6.614  -1.363
   44    HB2  PRO   8           HB2      PRO   8   7.189   8.391   0.386
   45    HB3  PRO   8           HB1      PRO   8   7.201   8.651  -1.362
   46    HG2  PRO   8           HG2      PRO   8   4.990   7.644   0.387
   47    HG3  PRO   8           HG1      PRO   8   4.919   8.813  -0.944
   48    HD2  PRO   8           HD2      PRO   8   4.187   6.222  -1.239
   49    HD3  PRO   8           HD1      PRO   8   4.912   7.165  -2.556
   50    H    TRP   9           H        TRP   9   5.715   5.454   0.782
   51    HA   TRP   9           HA       TRP   9   7.588   5.172   2.994
   52    HB2  TRP   9           HB2      TRP   9   4.627   4.586   2.794
   53    HB3  TRP   9           HB1      TRP   9   5.587   4.402   4.260
   54    HD1  TRP   9           HD       TRP   9   3.886   7.020   2.109
   55    HE1  TRP   9           HE1      TRP   9   3.986   9.294   3.311
   56    HE3  TRP   9           HE3      TRP   9   7.078   5.791   5.908
   57    HZ2  TRP   9           HZ2      TRP   9   5.252  10.418   5.570
   58    HZ3  TRP   9           HZ3      TRP   9   7.684   7.522   7.547
   59    HH2  TRP   9           HH       TRP   9   6.789   9.788   7.379
   60    H    GLY  10           H        GLY  10   5.578   3.134   0.898
   61    HA2  GLY  10           HA2      GLY  10   6.621   1.054   0.103
   62    HA3  GLY  10           HA1      GLY  10   7.236   0.836   1.735
   63    HA   PRO  11           HA       PRO  11   3.773  -1.734   2.566
   64    HB2  PRO  11           HB2      PRO  11   3.712  -1.541   5.273
   65    HB3  PRO  11           HB1      PRO  11   4.941  -2.466   4.404
   66    HG2  PRO  11           HG2      PRO  11   5.110   0.290   5.559
   67    HG3  PRO  11           HG1      PRO  11   6.303  -1.021   5.614
   68    HD2  PRO  11           HD2      PRO  11   6.488   1.045   3.874
   69    HD3  PRO  11           HD1      PRO  11   7.063  -0.589   3.482
   70    H    PHE  12           H        PHE  12   2.318  -0.145   1.518
   71    HA   PHE  12           HA       PHE  12   0.711   1.336   3.494
   72    HB2  PHE  12           HB2      PHE  12   0.205   2.963   1.878
   73    HB3  PHE  12           HB1      PHE  12   1.912   2.622   1.612
   74    HD1  PHE  12           HD2      PHE  12  -1.477   2.227   0.290
   75    HD2  PHE  12           HD1      PHE  12   2.663   1.509  -0.384
   76    HE1  PHE  12           HE2      PHE  12  -1.954   1.713  -2.068
   77    HE2  PHE  12           HE1      PHE  12   2.194   0.996  -2.743
   78    HZ   PHE  12           HZ       PHE  12  -0.117   1.097  -3.588
   79    H    CYS  13           H        CYS  13  -1.518   1.145   3.452
   80    HA   CYS  13           HA       CYS  13  -2.532  -1.141   1.905
   81    HB2  CYS  13           HB2      CYS  13  -3.855   0.072   4.326
   82    HB3  CYS  13           HB1      CYS  13  -4.125  -1.518   3.619
   83    H    ILE  14           H        ILE  14  -4.569  -1.013   0.894
   84    HA   ILE  14           HA       ILE  14  -5.425   1.744   0.306
   85    HB   ILE  14           HB       ILE  14  -6.497   0.565  -1.752
   86   HG12  ILE  14          HG12      ILE  14  -4.294  -1.389  -1.049
   87   HG13  ILE  14          HG11      ILE  14  -6.020  -1.730  -0.970
   88   HG21  ILE  14          HG21      ILE  14  -3.747   0.517  -2.445
   89   HG22  ILE  14          HG22      ILE  14  -4.937   1.782  -2.751
   90   HG23  ILE  14          HG23      ILE  14  -3.991   1.803  -1.263
   91   HD11  ILE  14          HD11      ILE  14  -6.077  -1.171  -3.448
   92   HD12  ILE  14          HD12      ILE  14  -4.316  -1.271  -3.390
   93   HD13  ILE  14          HD13      ILE  14  -5.295  -2.679  -2.975
   94    HA   PRO  15           HA       PRO  15  -9.450   0.990   1.887
   95    HB2  PRO  15           HB2      PRO  15 -11.010   2.350   0.130
   96    HB3  PRO  15           HB1      PRO  15  -9.968   3.152   1.311
   97    HG2  PRO  15           HG2      PRO  15  -9.486   2.632  -1.598
   98    HG3  PRO  15           HG1      PRO  15  -9.159   4.098  -0.654
   99    HD2  PRO  15           HD2      PRO  15  -7.224   2.313  -1.290
  100    HD3  PRO  15           HD1      PRO  15  -7.200   3.252   0.216
  101    H    ASP  16           H        ASP  16  -8.895   0.268  -1.506
  102    HA   ASP  16           HA       ASP  16 -11.296  -1.302  -1.781
  103    HB2  ASP  16           HB2      ASP  16 -10.329  -0.095  -3.703
  104    HB3  ASP  16           HB1      ASP  16  -8.886  -1.100  -3.600
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -8.671  -2.486   0.147
    2    HA2  GLY   1           HA2      GLY   1  -7.980  -4.804  -1.162
    3    HA3  GLY   1           HA1      GLY   1  -7.023  -3.549  -1.934
    4    HA   PRO   2           HA       PRO   2  -5.072  -5.167   2.093
    5    HB2  PRO   2           HB2      PRO   2  -3.093  -6.664   0.991
    6    HB3  PRO   2           HB1      PRO   2  -4.681  -7.323   1.400
    7    HG2  PRO   2           HG2      PRO   2  -3.632  -6.420  -1.254
    8    HG3  PRO   2           HG1      PRO   2  -4.592  -7.859  -0.860
    9    HD2  PRO   2           HD2      PRO   2  -5.686  -5.627  -1.934
   10    HD3  PRO   2           HD1      PRO   2  -6.572  -6.680  -0.812
   11    H    CYS   3           H        CYS   3  -2.366  -5.323   2.163
   12    HA   CYS   3           HA       CYS   3  -1.563  -2.645   1.266
   13    HB2  CYS   3           HB2      CYS   3  -0.002  -4.260   3.248
   14    HB3  CYS   3           HB1      CYS   3  -0.139  -2.511   3.100
   15    H    PHE   4           H        PHE   4   0.459  -2.300   0.289
   16    HA   PHE   4           HA       PHE   4   1.942  -4.664  -0.588
   17    HB2  PHE   4           HB2      PHE   4   0.575  -2.672  -2.365
   18    HB3  PHE   4           HB1      PHE   4   2.055  -3.460  -2.906
   19    HD1  PHE   4           HD2      PHE   4   2.112  -5.910  -3.202
   20    HD2  PHE   4           HD1      PHE   4  -1.491  -3.832  -2.296
   21    HE1  PHE   4           HE2      PHE   4   0.806  -7.863  -3.930
   22    HE2  PHE   4           HE1      PHE   4  -2.802  -5.782  -3.022
   23    HZ   PHE   4           HZ       PHE   4  -1.655  -7.801  -3.842
   24    HA   PRO   5           HA       PRO   5   5.387  -2.107   0.422
   25    HB2  PRO   5           HB2      PRO   5   7.317  -3.504  -0.877
   26    HB3  PRO   5           HB1      PRO   5   6.577  -4.062   0.628
   27    HG2  PRO   5           HG2      PRO   5   5.980  -4.874  -2.191
   28    HG3  PRO   5           HG1      PRO   5   6.131  -5.886  -0.744
   29    HD2  PRO   5           HD2      PRO   5   3.733  -5.153  -1.765
   30    HD3  PRO   5           HD1      PRO   5   3.996  -5.399  -0.027
   31    H    MET   6           H        MET   6   4.446  -0.366  -0.958
   32    HA   MET   6           HA       MET   6   6.298   0.262  -3.103
   33    HB2  MET   6           HB2      MET   6   3.414  -0.320  -3.523
   34    HB3  MET   6           HB1      MET   6   4.089   1.050  -4.395
   35    HG2  MET   6           HG2      MET   6   5.281  -1.708  -4.467
   36    HG3  MET   6           HG1      MET   6   4.087  -1.128  -5.627
   37    HE1  MET   6           HE1      MET   6   6.184  -0.031  -8.319
   38    HE2  MET   6           HE2      MET   6   6.297  -1.679  -7.702
   39    HE3  MET   6           HE3      MET   6   4.751  -0.830  -7.670
   40    H    GLY   7           H        GLY   7   5.547   2.545  -4.048
   41    HA2  GLY   7           HA2      GLY   7   4.975   4.756  -3.637
   42    HA3  GLY   7           HA1      GLY   7   4.294   4.261  -2.094
   43    HA   PRO   8           HA       PRO   8   8.259   6.612  -1.372
   44    HB2  PRO   8           HB2      PRO   8   7.189   8.390   0.379
   45    HB3  PRO   8           HB1      PRO   8   7.196   8.650  -1.370
   46    HG2  PRO   8           HG2      PRO   8   4.991   7.644   0.388
   47    HG3  PRO   8           HG1      PRO   8   4.915   8.812  -0.944
   48    HD2  PRO   8           HD2      PRO   8   4.182   6.222  -1.234
   49    HD3  PRO   8           HD1      PRO   8   4.902   7.164  -2.556
   50    H    TRP   9           H        TRP   9   5.715   5.453   0.780
   51    HA   TRP   9           HA       TRP   9   7.597   5.172   2.986
   52    HB2  TRP   9           HB2      TRP   9   4.624   4.912   2.699
   53    HB3  TRP   9           HB1      TRP   9   5.433   4.168   4.075
   54    HD1  TRP   9           HD       TRP   9   4.386   7.539   2.686
   55    HE1  TRP   9           HE1      TRP   9   4.799   9.349   4.468
   56    HE3  TRP   9           HE3      TRP   9   7.015   4.756   6.075
   57    HZ2  TRP   9           HZ2      TRP   9   6.072   9.568   6.979
   58    HZ3  TRP   9           HZ3      TRP   9   7.794   5.842   8.140
   59    HH2  TRP   9           HH       TRP   9   7.332   8.199   8.581
   60    H    GLY  10           H        GLY  10   5.579   3.134   0.898
   61    HA2  GLY  10           HA2      GLY  10   6.621   1.054   0.099
   62    HA3  GLY  10           HA1      GLY  10   7.240   0.836   1.729
   63    HA   PRO  11           HA       PRO  11   3.780  -1.732   2.573
   64    HB2  PRO  11           HB2      PRO  11   3.724  -1.536   5.280
   65    HB3  PRO  11           HB1      PRO  11   4.953  -2.462   4.409
   66    HG2  PRO  11           HG2      PRO  11   5.122   0.295   5.560
   67    HG3  PRO  11           HG1      PRO  11   6.315  -1.014   5.615
   68    HD2  PRO  11           HD2      PRO  11   6.497   1.048   3.870
   69    HD3  PRO  11           HD1      PRO  11   7.071  -0.586   3.480
   70    H    PHE  12           H        PHE  12   2.317  -0.154   1.527
   71    HA   PHE  12           HA       PHE  12   0.712   1.327   3.505
   72    HB2  PHE  12           HB2      PHE  12   0.209   2.960   1.895
   73    HB3  PHE  12           HB1      PHE  12   1.914   2.618   1.626
   74    HD1  PHE  12           HD2      PHE  12  -1.477   2.235   0.308
   75    HD2  PHE  12           HD1      PHE  12   2.661   1.506  -0.373
   76    HE1  PHE  12           HE2      PHE  12  -1.958   1.731  -2.052
   77    HE2  PHE  12           HE1      PHE  12   2.186   1.001  -2.734
   78    HZ   PHE  12           HZ       PHE  12  -0.126   1.111  -3.576
   79    H    CYS  13           H        CYS  13  -1.518   1.142   3.455
   80    HA   CYS  13           HA       CYS  13  -2.529  -1.143   1.904
   81    HB2  CYS  13           HB2      CYS  13  -3.858   0.065   4.324
   82    HB3  CYS  13           HB1      CYS  13  -4.125  -1.524   3.615
   83    H    ILE  14           H        ILE  14  -4.573  -1.013   0.898
   84    HA   ILE  14           HA       ILE  14  -5.426   1.745   0.311
   85    HB   ILE  14           HB       ILE  14  -6.496   0.565  -1.748
   86   HG12  ILE  14          HG12      ILE  14  -4.286  -1.379  -1.049
   87   HG13  ILE  14          HG11      ILE  14  -6.009  -1.728  -0.971
   88   HG21  ILE  14          HG21      ILE  14  -4.058   1.876  -1.275
   89   HG22  ILE  14          HG22      ILE  14  -3.700   0.536  -2.365
   90   HG23  ILE  14          HG23      ILE  14  -4.926   1.725  -2.804
   91   HD11  ILE  14          HD11      ILE  14  -5.925  -0.999  -3.495
   92   HD12  ILE  14          HD12      ILE  14  -4.231  -1.461  -3.328
   93   HD13  ILE  14          HD13      ILE  14  -5.503  -2.636  -2.991
   94    HA   PRO  15           HA       PRO  15  -9.451   0.989   1.887
   95    HB2  PRO  15           HB2      PRO  15 -11.011   2.350   0.130
   96    HB3  PRO  15           HB1      PRO  15  -9.970   3.152   1.313
   97    HG2  PRO  15           HG2      PRO  15  -9.484   2.635  -1.596
   98    HG3  PRO  15           HG1      PRO  15  -9.159   4.099  -0.650
   99    HD2  PRO  15           HD2      PRO  15  -7.223   2.316  -1.286
  100    HD3  PRO  15           HD1      PRO  15  -7.199   3.252   0.221
  101    H    ASP  16           H        ASP  16  -8.894   0.272  -1.508
  102    HA   ASP  16           HA       ASP  16 -11.295  -1.298  -1.787
  103    HB2  ASP  16           HB2      ASP  16 -10.228  -0.050  -3.682
  104    HB3  ASP  16           HB1      ASP  16  -8.894  -1.199  -3.623
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -8.665  -2.478   0.145
    2    HA2  GLY   1           HA2      GLY   1  -7.983  -4.808  -1.154
    3    HA3  GLY   1           HA1      GLY   1  -7.026  -3.557  -1.931
    4    HA   PRO   2           HA       PRO   2  -5.072  -5.163   2.098
    5    HB2  PRO   2           HB2      PRO   2  -3.094  -6.663   0.999
    6    HB3  PRO   2           HB1      PRO   2  -4.681  -7.321   1.411
    7    HG2  PRO   2           HG2      PRO   2  -3.635  -6.424  -1.246
    8    HG3  PRO   2           HG1      PRO   2  -4.593  -7.862  -0.849
    9    HD2  PRO   2           HD2      PRO   2  -5.690  -5.633  -1.926
   10    HD3  PRO   2           HD1      PRO   2  -6.573  -6.683  -0.800
   11    H    CYS   3           H        CYS   3  -2.365  -5.319   2.168
   12    HA   CYS   3           HA       CYS   3  -1.564  -2.642   1.264
   13    HB2  CYS   3           HB2      CYS   3   0.003  -4.255   3.247
   14    HB3  CYS   3           HB1      CYS   3  -0.138  -2.506   3.098
   15    H    PHE   4           H        PHE   4   0.460  -2.299   0.289
   16    HA   PHE   4           HA       PHE   4   1.941  -4.664  -0.589
   17    HB2  PHE   4           HB2      PHE   4   0.573  -2.672  -2.366
   18    HB3  PHE   4           HB1      PHE   4   2.052  -3.460  -2.908
   19    HD1  PHE   4           HD2      PHE   4   2.109  -5.907  -3.209
   20    HD2  PHE   4           HD1      PHE   4  -1.494  -3.834  -2.289
   21    HE1  PHE   4           HE2      PHE   4   0.801  -7.861  -3.937
   22    HE2  PHE   4           HE1      PHE   4  -2.806  -5.784  -3.015
   23    HZ   PHE   4           HZ       PHE   4  -1.659  -7.802  -3.839
   24    HA   PRO   5           HA       PRO   5   5.388  -2.110   0.417
   25    HB2  PRO   5           HB2      PRO   5   7.316  -3.508  -0.886
   26    HB3  PRO   5           HB1      PRO   5   6.576  -4.065   0.621
   27    HG2  PRO   5           HG2      PRO   5   5.977  -4.877  -2.198
   28    HG3  PRO   5           HG1      PRO   5   6.129  -5.890  -0.751
   29    HD2  PRO   5           HD2      PRO   5   3.729  -5.154  -1.769
   30    HD3  PRO   5           HD1      PRO   5   3.994  -5.400  -0.031
   31    H    MET   6           H        MET   6   4.457  -0.363  -0.955
   32    HA   MET   6           HA       MET   6   6.304   0.264  -3.103
   33    HB2  MET   6           HB2      MET   6   3.421  -0.319  -3.524
   34    HB3  MET   6           HB1      MET   6   4.096   1.050  -4.396
   35    HG2  MET   6           HG2      MET   6   5.259  -1.720  -4.471
   36    HG3  MET   6           HG1      MET   6   4.103  -1.102  -5.648
   37    HE1  MET   6           HE1      MET   6   8.439  -0.993  -6.143
   38    HE2  MET   6           HE2      MET   6   7.798  -1.254  -4.520
   39    HE3  MET   6           HE3      MET   6   7.242  -2.259  -5.860
   40    H    GLY   7           H        GLY   7   5.556   2.546  -4.047
   41    HA2  GLY   7           HA2      GLY   7   4.982   4.757  -3.636
   42    HA3  GLY   7           HA1      GLY   7   4.300   4.262  -2.094
   43    HA   PRO   8           HA       PRO   8   8.263   6.615  -1.368
   44    HB2  PRO   8           HB2      PRO   8   7.191   8.392   0.383
   45    HB3  PRO   8           HB1      PRO   8   7.200   8.651  -1.366
   46    HG2  PRO   8           HG2      PRO   8   4.993   7.645   0.389
   47    HG3  PRO   8           HG1      PRO   8   4.919   8.813  -0.943
   48    HD2  PRO   8           HD2      PRO   8   4.185   6.223  -1.234
   49    HD3  PRO   8           HD1      PRO   8   4.907   7.166  -2.555
   50    H    TRP   9           H        TRP   9   5.718   5.451   0.780
   51    HA   TRP   9           HA       TRP   9   7.596   5.171   2.989
   52    HB2  TRP   9           HB2      TRP   9   4.621   4.769   2.730
   53    HB3  TRP   9           HB1      TRP   9   5.507   4.258   4.164
   54    HD1  TRP   9           HD       TRP   9   7.453   6.814   4.358
   55    HE1  TRP   9           HE1      TRP   9   6.471   9.056   5.155
   56    HE3  TRP   9           HE3      TRP   9   2.517   5.939   3.355
   57    HZ2  TRP   9           HZ2      TRP   9   3.938  10.290   5.334
   58    HZ3  TRP   9           HZ3      TRP   9   0.879   7.702   3.869
   59    HH2  TRP   9           HH       TRP   9   1.577   9.831   4.839
   60    H    GLY  10           H        GLY  10   5.580   3.134   0.898
   61    HA2  GLY  10           HA2      GLY  10   6.620   1.053   0.100
   62    HA3  GLY  10           HA1      GLY  10   7.238   0.834   1.731
   63    HA   PRO  11           HA       PRO  11   3.775  -1.732   2.570
   64    HB2  PRO  11           HB2      PRO  11   3.717  -1.536   5.278
   65    HB3  PRO  11           HB1      PRO  11   4.945  -2.463   4.408
   66    HG2  PRO  11           HG2      PRO  11   5.116   0.295   5.560
   67    HG3  PRO  11           HG1      PRO  11   6.309  -1.016   5.615
   68    HD2  PRO  11           HD2      PRO  11   6.494   1.047   3.871
   69    HD3  PRO  11           HD1      PRO  11   7.067  -0.588   3.481
   70    H    PHE  12           H        PHE  12   2.315  -0.152   1.524
   71    HA   PHE  12           HA       PHE  12   0.710   1.332   3.500
   72    HB2  PHE  12           HB2      PHE  12   0.206   2.961   1.887
   73    HB3  PHE  12           HB1      PHE  12   1.912   2.619   1.620
   74    HD1  PHE  12           HD2      PHE  12  -1.478   2.231   0.299
   75    HD2  PHE  12           HD1      PHE  12   2.661   1.507  -0.378
   76    HE1  PHE  12           HE2      PHE  12  -1.957   1.723  -2.060
   77    HE2  PHE  12           HE1      PHE  12   2.190   0.998  -2.739
   78    HZ   PHE  12           HZ       PHE  12  -0.122   1.105  -3.582
   79    H    CYS  13           H        CYS  13  -1.519   1.141   3.456
   80    HA   CYS  13           HA       CYS  13  -2.532  -1.144   1.906
   81    HB2  CYS  13           HB2      CYS  13  -3.859   0.067   4.326
   82    HB3  CYS  13           HB1      CYS  13  -4.127  -1.522   3.618
   83    H    ILE  14           H        ILE  14  -4.573  -1.013   0.896
   84    HA   ILE  14           HA       ILE  14  -5.426   1.743   0.309
   85    HB   ILE  14           HB       ILE  14  -6.497   0.564  -1.750
   86   HG12  ILE  14          HG12      ILE  14  -4.291  -1.385  -1.048
   87   HG13  ILE  14          HG11      ILE  14  -6.016  -1.730  -0.970
   88   HG21  ILE  14          HG21      ILE  14  -4.918   1.698  -2.823
   89   HG22  ILE  14          HG22      ILE  14  -4.076   1.890  -1.286
   90   HG23  ILE  14          HG23      ILE  14  -3.686   0.532  -2.341
   91   HD11  ILE  14          HD11      ILE  14  -4.965  -2.644  -2.980
   92   HD12  ILE  14          HD12      ILE  14  -6.203  -1.448  -3.366
   93   HD13  ILE  14          HD13      ILE  14  -4.496  -1.015  -3.467
   94    HA   PRO  15           HA       PRO  15  -9.451   0.989   1.886
   95    HB2  PRO  15           HB2      PRO  15 -11.010   2.350   0.128
   96    HB3  PRO  15           HB1      PRO  15  -9.969   3.153   1.310
   97    HG2  PRO  15           HG2      PRO  15  -9.485   2.634  -1.598
   98    HG3  PRO  15           HG1      PRO  15  -9.158   4.098  -0.653
   99    HD2  PRO  15           HD2      PRO  15  -7.223   2.314  -1.289
  100    HD3  PRO  15           HD1      PRO  15  -7.199   3.252   0.219
  101    H    ASP  16           H        ASP  16  -8.894   0.270  -1.507
  102    HA   ASP  16           HA       ASP  16 -11.294  -1.301  -1.783
  103    HB2  ASP  16           HB2      ASP  16  -8.933  -0.725  -3.551
  104    HB3  ASP  16           HB1      ASP  16 -10.083  -1.991  -3.975
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -8.580  -2.371   0.095
    2    HA2  GLY   1           HA2      GLY   1  -7.984  -4.807  -1.157
    3    HA3  GLY   1           HA1      GLY   1  -7.027  -3.554  -1.933
    4    HA   PRO   2           HA       PRO   2  -5.074  -5.166   2.095
    5    HB2  PRO   2           HB2      PRO   2  -3.096  -6.665   0.993
    6    HB3  PRO   2           HB1      PRO   2  -4.684  -7.322   1.405
    7    HG2  PRO   2           HG2      PRO   2  -3.636  -6.423  -1.251
    8    HG3  PRO   2           HG1      PRO   2  -4.595  -7.861  -0.855
    9    HD2  PRO   2           HD2      PRO   2  -5.691  -5.630  -1.930
   10    HD3  PRO   2           HD1      PRO   2  -6.575  -6.683  -0.806
   11    H    CYS   3           H        CYS   3  -2.367  -5.322   2.164
   12    HA   CYS   3           HA       CYS   3  -1.565  -2.644   1.264
   13    HB2  CYS   3           HB2      CYS   3  -0.001  -4.260   3.245
   14    HB3  CYS   3           HB1      CYS   3  -0.138  -2.511   3.096
   15    H    PHE   4           H        PHE   4   0.461  -2.300   0.291
   16    HA   PHE   4           HA       PHE   4   1.940  -4.665  -0.590
   17    HB2  PHE   4           HB2      PHE   4   0.573  -2.670  -2.365
   18    HB3  PHE   4           HB1      PHE   4   2.052  -3.458  -2.907
   19    HD1  PHE   4           HD2      PHE   4   2.108  -5.907  -3.207
   20    HD2  PHE   4           HD1      PHE   4  -1.493  -3.831  -2.293
   21    HE1  PHE   4           HE2      PHE   4   0.801  -7.860  -3.936
   22    HE2  PHE   4           HE1      PHE   4  -2.806  -5.781  -3.021
   23    HZ   PHE   4           HZ       PHE   4  -1.659  -7.798  -3.845
   24    HA   PRO   5           HA       PRO   5   5.387  -2.111   0.419
   25    HB2  PRO   5           HB2      PRO   5   7.316  -3.510  -0.882
   26    HB3  PRO   5           HB1      PRO   5   6.575  -4.066   0.623
   27    HG2  PRO   5           HG2      PRO   5   5.977  -4.878  -2.196
   28    HG3  PRO   5           HG1      PRO   5   6.127  -5.890  -0.748
   29    HD2  PRO   5           HD2      PRO   5   3.730  -5.154  -1.768
   30    HD3  PRO   5           HD1      PRO   5   3.993  -5.400  -0.029
   31    H    MET   6           H        MET   6   4.456  -0.363  -0.954
   32    HA   MET   6           HA       MET   6   6.306   0.264  -3.099
   33    HB2  MET   6           HB2      MET   6   3.423  -0.322  -3.524
   34    HB3  MET   6           HB1      MET   6   4.098   1.049  -4.395
   35    HG2  MET   6           HG2      MET   6   5.791  -0.391  -5.381
   36    HG3  MET   6           HG1      MET   6   5.152  -1.768  -4.485
   37    HE1  MET   6           HE1      MET   6   3.564  -3.089  -4.912
   38    HE2  MET   6           HE2      MET   6   1.978  -2.480  -5.384
   39    HE3  MET   6           HE3      MET   6   2.949  -3.397  -6.537
   40    H    GLY   7           H        GLY   7   5.555   2.546  -4.045
   41    HA2  GLY   7           HA2      GLY   7   4.977   4.756  -3.634
   42    HA3  GLY   7           HA1      GLY   7   4.298   4.260  -2.091
   43    HA   PRO   8           HA       PRO   8   8.258   6.618  -1.371
   44    HB2  PRO   8           HB2      PRO   8   7.186   8.394   0.381
   45    HB3  PRO   8           HB1      PRO   8   7.191   8.654  -1.367
   46    HG2  PRO   8           HG2      PRO   8   4.989   7.644   0.391
   47    HG3  PRO   8           HG1      PRO   8   4.911   8.812  -0.941
   48    HD2  PRO   8           HD2      PRO   8   4.181   6.221  -1.231
   49    HD3  PRO   8           HD1      PRO   8   4.900   7.164  -2.553
   50    H    TRP   9           H        TRP   9   5.719   5.450   0.780
   51    HA   TRP   9           HA       TRP   9   7.602   5.171   2.986
   52    HB2  TRP   9           HB2      TRP   9   5.180   5.977   3.235
   53    HB3  TRP   9           HB1      TRP   9   4.719   4.294   2.987
   54    HD1  TRP   9           HD       TRP   9   7.645   5.604   5.162
   55    HE1  TRP   9           HE1      TRP   9   7.284   4.763   7.567
   56    HE3  TRP   9           HE3      TRP   9   3.101   3.340   4.557
   57    HZ2  TRP   9           HZ2      TRP   9   5.331   3.330   9.017
   58    HZ3  TRP   9           HZ3      TRP   9   2.055   2.257   6.504
   59    HH2  TRP   9           HH       TRP   9   3.149   2.252   8.686
   60    H    GLY  10           H        GLY  10   5.580   3.134   0.900
   61    HA2  GLY  10           HA2      GLY  10   6.620   1.053   0.099
   62    HA3  GLY  10           HA1      GLY  10   7.241   0.834   1.728
   63    HA   PRO  11           HA       PRO  11   3.779  -1.730   2.576
   64    HB2  PRO  11           HB2      PRO  11   3.722  -1.530   5.283
   65    HB3  PRO  11           HB1      PRO  11   4.950  -2.458   4.415
   66    HG2  PRO  11           HG2      PRO  11   5.121   0.303   5.561
   67    HG3  PRO  11           HG1      PRO  11   6.313  -1.007   5.619
   68    HD2  PRO  11           HD2      PRO  11   6.496   1.052   3.871
   69    HD3  PRO  11           HD1      PRO  11   7.070  -0.582   3.483
   70    H    PHE  12           H        PHE  12   2.316  -0.155   1.527
   71    HA   PHE  12           HA       PHE  12   0.711   1.331   3.502
   72    HB2  PHE  12           HB2      PHE  12   0.208   2.960   1.887
   73    HB3  PHE  12           HB1      PHE  12   1.914   2.617   1.620
   74    HD1  PHE  12           HD2      PHE  12  -1.476   2.231   0.301
   75    HD2  PHE  12           HD1      PHE  12   2.661   1.500  -0.376
   76    HE1  PHE  12           HE2      PHE  12  -1.957   1.720  -2.057
   77    HE2  PHE  12           HE1      PHE  12   2.188   0.990  -2.737
   78    HZ   PHE  12           HZ       PHE  12  -0.124   1.100  -3.580
   79    H    CYS  13           H        CYS  13  -1.519   1.146   3.450
   80    HA   CYS  13           HA       CYS  13  -2.530  -1.142   1.902
   81    HB2  CYS  13           HB2      CYS  13  -3.857   0.067   4.324
   82    HB3  CYS  13           HB1      CYS  13  -4.125  -1.522   3.615
   83    H    ILE  14           H        ILE  14  -4.572  -1.014   0.894
   84    HA   ILE  14           HA       ILE  14  -5.426   1.744   0.308
   85    HB   ILE  14           HB       ILE  14  -6.497   0.565  -1.750
   86   HG12  ILE  14          HG12      ILE  14  -4.293  -1.385  -1.049
   87   HG13  ILE  14          HG11      ILE  14  -6.017  -1.729  -0.972
   88   HG21  ILE  14          HG21      ILE  14  -4.932   1.747  -2.784
   89   HG22  ILE  14          HG22      ILE  14  -4.032   1.846  -1.271
   90   HG23  ILE  14          HG23      ILE  14  -3.720   0.526  -2.399
   91   HD11  ILE  14          HD11      ILE  14  -6.039  -1.121  -3.462
   92   HD12  ILE  14          HD12      ILE  14  -4.289  -1.317  -3.374
   93   HD13  ILE  14          HD13      ILE  14  -5.348  -2.671  -2.979
   94    HA   PRO  15           HA       PRO  15  -9.450   0.988   1.887
   95    HB2  PRO  15           HB2      PRO  15 -11.011   2.350   0.131
   96    HB3  PRO  15           HB1      PRO  15  -9.970   3.151   1.312
   97    HG2  PRO  15           HG2      PRO  15  -9.486   2.634  -1.596
   98    HG3  PRO  15           HG1      PRO  15  -9.159   4.098  -0.652
   99    HD2  PRO  15           HD2      PRO  15  -7.224   2.315  -1.289
  100    HD3  PRO  15           HD1      PRO  15  -7.200   3.252   0.219
  101    H    ASP  16           H        ASP  16  -8.897   0.271  -1.508
  102    HA   ASP  16           HA       ASP  16 -11.297  -1.299  -1.784
  103    HB2  ASP  16           HB2      ASP  16  -8.968  -0.634  -3.540
  104    HB3  ASP  16           HB1      ASP  16  -9.987  -2.009  -3.959
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.596  -2.393   0.106
    2    HA2  GLY   1           HA2      GLY   1  -7.982  -4.809  -1.155
    3    HA3  GLY   1           HA1      GLY   1  -7.025  -3.556  -1.932
    4    HA   PRO   2           HA       PRO   2  -5.072  -5.164   2.097
    5    HB2  PRO   2           HB2      PRO   2  -3.094  -6.663   0.998
    6    HB3  PRO   2           HB1      PRO   2  -4.682  -7.321   1.409
    7    HG2  PRO   2           HG2      PRO   2  -3.634  -6.424  -1.248
    8    HG3  PRO   2           HG1      PRO   2  -4.593  -7.862  -0.851
    9    HD2  PRO   2           HD2      PRO   2  -5.689  -5.632  -1.927
   10    HD3  PRO   2           HD1      PRO   2  -6.573  -6.683  -0.803
   11    H    CYS   3           H        CYS   3  -2.366  -5.319   2.167
   12    HA   CYS   3           HA       CYS   3  -1.564  -2.643   1.264
   13    HB2  CYS   3           HB2      CYS   3   0.002  -4.255   3.246
   14    HB3  CYS   3           HB1      CYS   3  -0.139  -2.507   3.097
   15    H    PHE   4           H        PHE   4   0.460  -2.298   0.288
   16    HA   PHE   4           HA       PHE   4   1.940  -4.663  -0.590
   17    HB2  PHE   4           HB2      PHE   4   0.574  -2.671  -2.367
   18    HB3  PHE   4           HB1      PHE   4   2.052  -3.459  -2.908
   19    HD1  PHE   4           HD2      PHE   4   2.107  -5.908  -3.206
   20    HD2  PHE   4           HD1      PHE   4  -1.494  -3.831  -2.294
   21    HE1  PHE   4           HE2      PHE   4   0.801  -7.861  -3.935
   22    HE2  PHE   4           HE1      PHE   4  -2.806  -5.781  -3.020
   23    HZ   PHE   4           HZ       PHE   4  -1.660  -7.800  -3.841
   24    HA   PRO   5           HA       PRO   5   5.387  -2.109   0.418
   25    HB2  PRO   5           HB2      PRO   5   7.315  -3.509  -0.882
   26    HB3  PRO   5           HB1      PRO   5   6.575  -4.064   0.623
   27    HG2  PRO   5           HG2      PRO   5   5.977  -4.878  -2.195
   28    HG3  PRO   5           HG1      PRO   5   6.128  -5.890  -0.747
   29    HD2  PRO   5           HD2      PRO   5   3.730  -5.155  -1.767
   30    HD3  PRO   5           HD1      PRO   5   3.993  -5.400  -0.029
   31    H    MET   6           H        MET   6   4.458  -0.362  -0.955
   32    HA   MET   6           HA       MET   6   6.306   0.263  -3.102
   33    HB2  MET   6           HB2      MET   6   3.423  -0.320  -3.525
   34    HB3  MET   6           HB1      MET   6   4.098   1.050  -4.397
   35    HG2  MET   6           HG2      MET   6   5.257  -1.724  -4.471
   36    HG3  MET   6           HG1      MET   6   4.107  -1.099  -5.650
   37    HE1  MET   6           HE1      MET   6   7.951  -0.816  -4.389
   38    HE2  MET   6           HE2      MET   6   7.303  -2.161  -5.327
   39    HE3  MET   6           HE3      MET   6   8.438  -1.035  -6.071
   40    H    GLY   7           H        GLY   7   5.557   2.545  -4.048
   41    HA2  GLY   7           HA2      GLY   7   4.985   4.757  -3.638
   42    HA3  GLY   7           HA1      GLY   7   4.300   4.262  -2.097
   43    HA   PRO   8           HA       PRO   8   8.264   6.613  -1.367
   44    HB2  PRO   8           HB2      PRO   8   7.190   8.390   0.383
   45    HB3  PRO   8           HB1      PRO   8   7.201   8.650  -1.366
   46    HG2  PRO   8           HG2      PRO   8   4.992   7.644   0.387
   47    HG3  PRO   8           HG1      PRO   8   4.919   8.813  -0.945
   48    HD2  PRO   8           HD2      PRO   8   4.185   6.223  -1.238
   49    HD3  PRO   8           HD1      PRO   8   4.909   7.165  -2.557
   50    H    TRP   9           H        TRP   9   5.715   5.455   0.781
   51    HA   TRP   9           HA       TRP   9   7.591   5.174   2.992
   52    HB2  TRP   9           HB2      TRP   9   4.651   4.469   2.856
   53    HB3  TRP   9           HB1      TRP   9   5.645   4.515   4.310
   54    HD1  TRP   9           HD       TRP   9   6.906   7.177   4.515
   55    HE1  TRP   9           HE1      TRP   9   5.618   9.404   4.462
   56    HE3  TRP   9           HE3      TRP   9   2.639   5.593   2.186
   57    HZ2  TRP   9           HZ2      TRP   9   3.124  10.363   3.554
   58    HZ3  TRP   9           HZ3      TRP   9   0.850   7.228   1.764
   59    HH2  TRP   9           HH       TRP   9   1.089   9.564   2.434
   60    H    GLY  10           H        GLY  10   5.578   3.134   0.898
   61    HA2  GLY  10           HA2      GLY  10   6.622   1.054   0.102
   62    HA3  GLY  10           HA1      GLY  10   7.239   0.837   1.733
   63    HA   PRO  11           HA       PRO  11   3.777  -1.734   2.569
   64    HB2  PRO  11           HB2      PRO  11   3.718  -1.540   5.276
   65    HB3  PRO  11           HB1      PRO  11   4.947  -2.465   4.405
   66    HG2  PRO  11           HG2      PRO  11   5.116   0.291   5.560
   67    HG3  PRO  11           HG1      PRO  11   6.309  -1.020   5.614
   68    HD2  PRO  11           HD2      PRO  11   6.493   1.045   3.873
   69    HD3  PRO  11           HD1      PRO  11   7.068  -0.588   3.481
   70    H    PHE  12           H        PHE  12   2.317  -0.149   1.523
   71    HA   PHE  12           HA       PHE  12   0.712   1.331   3.499
   72    HB2  PHE  12           HB2      PHE  12   0.206   2.960   1.886
   73    HB3  PHE  12           HB1      PHE  12   1.913   2.620   1.619
   74    HD1  PHE  12           HD2      PHE  12  -1.477   2.227   0.298
   75    HD2  PHE  12           HD1      PHE  12   2.663   1.510  -0.378
   76    HE1  PHE  12           HE2      PHE  12  -1.954   1.718  -2.061
   77    HE2  PHE  12           HE1      PHE  12   2.193   1.000  -2.739
   78    HZ   PHE  12           HZ       PHE  12  -0.119   1.102  -3.582
   79    H    CYS  13           H        CYS  13  -1.517   1.145   3.453
   80    HA   CYS  13           HA       CYS  13  -2.531  -1.142   1.904
   81    HB2  CYS  13           HB2      CYS  13  -3.856   0.069   4.325
   82    HB3  CYS  13           HB1      CYS  13  -4.125  -1.521   3.618
   83    H    ILE  14           H        ILE  14  -4.572  -1.013   0.895
   84    HA   ILE  14           HA       ILE  14  -5.425   1.744   0.308
   85    HB   ILE  14           HB       ILE  14  -6.497   0.565  -1.750
   86   HG12  ILE  14          HG12      ILE  14  -4.292  -1.386  -1.048
   87   HG13  ILE  14          HG11      ILE  14  -6.017  -1.729  -0.971
   88   HG21  ILE  14          HG21      ILE  14  -3.651   0.540  -2.275
   89   HG22  ILE  14          HG22      ILE  14  -4.898   1.637  -2.867
   90   HG23  ILE  14          HG23      ILE  14  -4.128   1.937  -1.310
   91   HD11  ILE  14          HD11      ILE  14  -5.274  -2.676  -2.976
   92   HD12  ILE  14          HD12      ILE  14  -6.076  -1.177  -3.446
   93   HD13  ILE  14          HD13      ILE  14  -4.315  -1.255  -3.392
   94    HA   PRO  15           HA       PRO  15  -9.450   0.989   1.887
   95    HB2  PRO  15           HB2      PRO  15 -11.010   2.349   0.130
   96    HB3  PRO  15           HB1      PRO  15  -9.969   3.152   1.312
   97    HG2  PRO  15           HG2      PRO  15  -9.485   2.634  -1.597
   98    HG3  PRO  15           HG1      PRO  15  -9.158   4.099  -0.651
   99    HD2  PRO  15           HD2      PRO  15  -7.223   2.315  -1.289
  100    HD3  PRO  15           HD1      PRO  15  -7.200   3.253   0.219
  101    H    ASP  16           H        ASP  16  -8.894   0.270  -1.507
  102    HA   ASP  16           HA       ASP  16 -11.296  -1.298  -1.785
  103    HB2  ASP  16           HB2      ASP  16  -8.892  -0.882  -3.565
  104    HB3  ASP  16           HB1      ASP  16 -10.228  -1.947  -3.994
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -8.591  -2.381   0.102
    2    HA2  GLY   1           HA2      GLY   1  -7.986  -4.804  -1.159
    3    HA3  GLY   1           HA1      GLY   1  -7.028  -3.551  -1.934
    4    HA   PRO   2           HA       PRO   2  -5.076  -5.167   2.092
    5    HB2  PRO   2           HB2      PRO   2  -3.098  -6.666   0.990
    6    HB3  PRO   2           HB1      PRO   2  -4.687  -7.324   1.400
    7    HG2  PRO   2           HG2      PRO   2  -3.639  -6.422  -1.256
    8    HG3  PRO   2           HG1      PRO   2  -4.598  -7.860  -0.861
    9    HD2  PRO   2           HD2      PRO   2  -5.694  -5.629  -1.934
   10    HD3  PRO   2           HD1      PRO   2  -6.578  -6.681  -0.810
   11    H    CYS   3           H        CYS   3  -2.370  -5.325   2.160
   12    HA   CYS   3           HA       CYS   3  -1.567  -2.647   1.263
   13    HB2  CYS   3           HB2      CYS   3  -0.004  -4.265   3.244
   14    HB3  CYS   3           HB1      CYS   3  -0.137  -2.516   3.095
   15    H    PHE   4           H        PHE   4   0.468  -2.302   0.301
   16    HA   PHE   4           HA       PHE   4   1.946  -4.666  -0.585
   17    HB2  PHE   4           HB2      PHE   4   0.577  -2.675  -2.362
   18    HB3  PHE   4           HB1      PHE   4   2.056  -3.462  -2.903
   19    HD1  PHE   4           HD2      PHE   4   2.112  -5.908  -3.209
   20    HD2  PHE   4           HD1      PHE   4  -1.489  -3.838  -2.280
   21    HE1  PHE   4           HE2      PHE   4   0.805  -7.861  -3.938
   22    HE2  PHE   4           HE1      PHE   4  -2.801  -5.788  -3.006
   23    HZ   PHE   4           HZ       PHE   4  -1.654  -7.804  -3.836
   24    HA   PRO   5           HA       PRO   5   5.390  -2.109   0.422
   25    HB2  PRO   5           HB2      PRO   5   7.320  -3.505  -0.880
   26    HB3  PRO   5           HB1      PRO   5   6.580  -4.063   0.626
   27    HG2  PRO   5           HG2      PRO   5   5.981  -4.875  -2.193
   28    HG3  PRO   5           HG1      PRO   5   6.134  -5.888  -0.746
   29    HD2  PRO   5           HD2      PRO   5   3.735  -5.155  -1.764
   30    HD3  PRO   5           HD1      PRO   5   3.999  -5.401  -0.027
   31    H    MET   6           H        MET   6   4.450  -0.366  -0.954
   32    HA   MET   6           HA       MET   6   6.300   0.263  -3.100
   33    HB2  MET   6           HB2      MET   6   3.417  -0.322  -3.522
   34    HB3  MET   6           HB1      MET   6   4.090   1.049  -4.394
   35    HG2  MET   6           HG2      MET   6   5.795  -0.405  -5.363
   36    HG3  MET   6           HG1      MET   6   5.119  -1.777  -4.490
   37    HE1  MET   6           HE1      MET   6   5.619  -0.925  -7.768
   38    HE2  MET   6           HE2      MET   6   4.105  -0.592  -8.609
   39    HE3  MET   6           HE3      MET   6   4.802   0.620  -7.534
   40    H    GLY   7           H        GLY   7   5.546   2.546  -4.045
   41    HA2  GLY   7           HA2      GLY   7   4.968   4.756  -3.633
   42    HA3  GLY   7           HA1      GLY   7   4.292   4.260  -2.089
   43    HA   PRO   8           HA       PRO   8   8.252   6.620  -1.376
   44    HB2  PRO   8           HB2      PRO   8   7.182   8.395   0.378
   45    HB3  PRO   8           HB1      PRO   8   7.184   8.654  -1.370
   46    HG2  PRO   8           HG2      PRO   8   4.986   7.643   0.393
   47    HG3  PRO   8           HG1      PRO   8   4.905   8.811  -0.939
   48    HD2  PRO   8           HD2      PRO   8   4.176   6.219  -1.229
   49    HD3  PRO   8           HD1      PRO   8   4.891   7.163  -2.551
   50    H    TRP   9           H        TRP   9   5.717   5.449   0.780
   51    HA   TRP   9           HA       TRP   9   7.606   5.171   2.982
   52    HB2  TRP   9           HB2      TRP   9   5.316   6.010   3.420
   53    HB3  TRP   9           HB1      TRP   9   4.665   4.473   2.859
   54    HD1  TRP   9           HD       TRP   9   4.862   2.382   4.492
   55    HE1  TRP   9           HE1      TRP   9   5.378   2.188   7.006
   56    HE3  TRP   9           HE3      TRP   9   6.721   7.075   5.304
   57    HZ2  TRP   9           HZ2      TRP   9   6.434   3.809   9.060
   58    HZ3  TRP   9           HZ3      TRP   9   7.462   7.673   7.572
   59    HH2  TRP   9           HH       TRP   9   7.320   6.072   9.411
   60    H    GLY  10           H        GLY  10   5.580   3.133   0.899
   61    HA2  GLY  10           HA2      GLY  10   6.622   1.054   0.097
   62    HA3  GLY  10           HA1      GLY  10   7.244   0.835   1.725
   63    HA   PRO  11           HA       PRO  11   3.785  -1.731   2.580
   64    HB2  PRO  11           HB2      PRO  11   3.732  -1.528   5.287
   65    HB3  PRO  11           HB1      PRO  11   4.960  -2.455   4.418
   66    HG2  PRO  11           HG2      PRO  11   5.129   0.306   5.562
   67    HG3  PRO  11           HG1      PRO  11   6.323  -1.005   5.619
   68    HD2  PRO  11           HD2      PRO  11   6.501   1.055   3.870
   69    HD3  PRO  11           HD1      PRO  11   7.077  -0.580   3.483
   70    H    PHE  12           H        PHE  12   2.320  -0.159   1.532
   71    HA   PHE  12           HA       PHE  12   0.715   1.325   3.508
   72    HB2  PHE  12           HB2      PHE  12   0.212   2.957   1.899
   73    HB3  PHE  12           HB1      PHE  12   1.917   2.614   1.627
   74    HD1  PHE  12           HD2      PHE  12  -1.476   2.235   0.312
   75    HD2  PHE  12           HD1      PHE  12   2.661   1.499  -0.371
   76    HE1  PHE  12           HE2      PHE  12  -1.959   1.728  -2.047
   77    HE2  PHE  12           HE1      PHE  12   2.185   0.993  -2.732
   78    HZ   PHE  12           HZ       PHE  12  -0.128   1.106  -3.572
   79    H    CYS  13           H        CYS  13  -1.519   1.148   3.448
   80    HA   CYS  13           HA       CYS  13  -2.527  -1.142   1.900
   81    HB2  CYS  13           HB2      CYS  13  -3.857   0.065   4.320
   82    HB3  CYS  13           HB1      CYS  13  -4.124  -1.524   3.611
   83    H    ILE  14           H        ILE  14  -4.576  -1.014   0.899
   84    HA   ILE  14           HA       ILE  14  -5.426   1.745   0.309
   85    HB   ILE  14           HB       ILE  14  -6.498   0.566  -1.750
   86   HG12  ILE  14          HG12      ILE  14  -4.289  -1.382  -1.048
   87   HG13  ILE  14          HG11      ILE  14  -6.014  -1.728  -0.973
   88   HG21  ILE  14          HG21      ILE  14  -4.012   1.828  -1.264
   89   HG22  ILE  14          HG22      ILE  14  -3.734   0.529  -2.423
   90   HG23  ILE  14          HG23      ILE  14  -4.937   1.772  -2.764
   91   HD11  ILE  14          HD11      ILE  14  -6.044  -2.272  -3.114
   92   HD12  ILE  14          HD12      ILE  14  -5.318  -0.730  -3.569
   93   HD13  ILE  14          HD13      ILE  14  -4.289  -2.096  -3.134
   94    HA   PRO  15           HA       PRO  15  -9.451   0.988   1.886
   95    HB2  PRO  15           HB2      PRO  15 -11.011   2.350   0.129
   96    HB3  PRO  15           HB1      PRO  15  -9.970   3.152   1.312
   97    HG2  PRO  15           HG2      PRO  15  -9.484   2.635  -1.597
   98    HG3  PRO  15           HG1      PRO  15  -9.159   4.099  -0.651
   99    HD2  PRO  15           HD2      PRO  15  -7.224   2.316  -1.288
  100    HD3  PRO  15           HD1      PRO  15  -7.200   3.253   0.219
  101    H    ASP  16           H        ASP  16  -8.898   0.274  -1.510
  102    HA   ASP  16           HA       ASP  16 -11.297  -1.296  -1.787
  103    HB2  ASP  16           HB2      ASP  16  -9.901   0.002  -3.612
  104    HB3  ASP  16           HB1      ASP  16  -9.008  -1.514  -3.697
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -8.564  -2.351   0.083
    2    HA2  GLY   1           HA2      GLY   1  -7.981  -4.804  -1.161
    3    HA3  GLY   1           HA1      GLY   1  -7.024  -3.549  -1.934
    4    HA   PRO   2           HA       PRO   2  -5.073  -5.167   2.092
    5    HB2  PRO   2           HB2      PRO   2  -3.095  -6.664   0.991
    6    HB3  PRO   2           HB1      PRO   2  -4.683  -7.323   1.400
    7    HG2  PRO   2           HG2      PRO   2  -3.634  -6.420  -1.254
    8    HG3  PRO   2           HG1      PRO   2  -4.593  -7.859  -0.861
    9    HD2  PRO   2           HD2      PRO   2  -5.688  -5.626  -1.933
   10    HD3  PRO   2           HD1      PRO   2  -6.573  -6.680  -0.811
   11    H    CYS   3           H        CYS   3  -2.366  -5.324   2.163
   12    HA   CYS   3           HA       CYS   3  -1.563  -2.644   1.265
   13    HB2  CYS   3           HB2      CYS   3  -0.002  -4.261   3.248
   14    HB3  CYS   3           HB1      CYS   3  -0.139  -2.512   3.099
   15    H    PHE   4           H        PHE   4   0.461  -2.300   0.292
   16    HA   PHE   4           HA       PHE   4   1.943  -4.665  -0.587
   17    HB2  PHE   4           HB2      PHE   4   0.576  -2.674  -2.364
   18    HB3  PHE   4           HB1      PHE   4   2.055  -3.461  -2.905
   19    HD1  PHE   4           HD2      PHE   4   2.113  -5.909  -3.207
   20    HD2  PHE   4           HD1      PHE   4  -1.490  -3.836  -2.286
   21    HE1  PHE   4           HE2      PHE   4   0.807  -7.862  -3.936
   22    HE2  PHE   4           HE1      PHE   4  -2.802  -5.787  -3.013
   23    HZ   PHE   4           HZ       PHE   4  -1.654  -7.802  -3.840
   24    HA   PRO   5           HA       PRO   5   5.388  -2.108   0.422
   25    HB2  PRO   5           HB2      PRO   5   7.318  -3.505  -0.879
   26    HB3  PRO   5           HB1      PRO   5   6.577  -4.062   0.626
   27    HG2  PRO   5           HG2      PRO   5   5.980  -4.874  -2.193
   28    HG3  PRO   5           HG1      PRO   5   6.132  -5.887  -0.745
   29    HD2  PRO   5           HD2      PRO   5   3.733  -5.153  -1.765
   30    HD3  PRO   5           HD1      PRO   5   3.996  -5.399  -0.027
   31    H    MET   6           H        MET   6   4.447  -0.366  -0.957
   32    HA   MET   6           HA       MET   6   6.298   0.262  -3.102
   33    HB2  MET   6           HB2      MET   6   3.415  -0.321  -3.522
   34    HB3  MET   6           HB1      MET   6   4.088   1.050  -4.394
   35    HG2  MET   6           HG2      MET   6   5.278  -1.709  -4.467
   36    HG3  MET   6           HG1      MET   6   4.088  -1.127  -5.628
   37    HE1  MET   6           HE1      MET   6   5.475  -0.551  -8.152
   38    HE2  MET   6           HE2      MET   6   7.100  -1.166  -7.856
   39    HE3  MET   6           HE3      MET   6   5.702  -2.027  -7.214
   40    H    GLY   7           H        GLY   7   5.547   2.545  -4.046
   41    HA2  GLY   7           HA2      GLY   7   4.972   4.756  -3.635
   42    HA3  GLY   7           HA1      GLY   7   4.293   4.261  -2.092
   43    HA   PRO   8           HA       PRO   8   8.257   6.615  -1.374
   44    HB2  PRO   8           HB2      PRO   8   7.188   8.391   0.378
   45    HB3  PRO   8           HB1      PRO   8   7.193   8.650  -1.370
   46    HG2  PRO   8           HG2      PRO   8   4.990   7.643   0.390
   47    HG3  PRO   8           HG1      PRO   8   4.912   8.812  -0.942
   48    HD2  PRO   8           HD2      PRO   8   4.180   6.221  -1.232
   49    HD3  PRO   8           HD1      PRO   8   4.899   7.164  -2.554
   50    H    TRP   9           H        TRP   9   5.717   5.451   0.779
   51    HA   TRP   9           HA       TRP   9   7.600   5.171   2.985
   52    HB2  TRP   9           HB2      TRP   9   4.624   4.792   2.726
   53    HB3  TRP   9           HB1      TRP   9   5.502   4.242   4.150
   54    HD1  TRP   9           HD       TRP   9   6.437   7.534   2.439
   55    HE1  TRP   9           HE1      TRP   9   5.888   9.476   4.037
   56    HE3  TRP   9           HE3      TRP   9   3.983   4.918   6.083
   57    HZ2  TRP   9           HZ2      TRP   9   4.589   9.848   6.515
   58    HZ3  TRP   9           HZ3      TRP   9   3.118   6.141   8.034
   59    HH2  TRP   9           HH       TRP   9   3.417   8.556   8.244
   60    H    GLY  10           H        GLY  10   5.580   3.134   0.898
   61    HA2  GLY  10           HA2      GLY  10   6.621   1.053   0.099
   62    HA3  GLY  10           HA1      GLY  10   7.241   0.834   1.728
   63    HA   PRO  11           HA       PRO  11   3.781  -1.732   2.576
   64    HB2  PRO  11           HB2      PRO  11   3.725  -1.533   5.282
   65    HB3  PRO  11           HB1      PRO  11   4.953  -2.460   4.412
   66    HG2  PRO  11           HG2      PRO  11   5.124   0.299   5.560
   67    HG3  PRO  11           HG1      PRO  11   6.317  -1.011   5.617
   68    HD2  PRO  11           HD2      PRO  11   6.498   1.051   3.871
   69    HD3  PRO  11           HD1      PRO  11   7.072  -0.584   3.481
   70    H    PHE  12           H        PHE  12   2.317  -0.156   1.529
   71    HA   PHE  12           HA       PHE  12   0.711   1.328   3.506
   72    HB2  PHE  12           HB2      PHE  12   0.209   2.959   1.896
   73    HB3  PHE  12           HB1      PHE  12   1.915   2.617   1.625
   74    HD1  PHE  12           HD2      PHE  12  -1.478   2.236   0.309
   75    HD2  PHE  12           HD1      PHE  12   2.659   1.502  -0.374
   76    HE1  PHE  12           HE2      PHE  12  -1.960   1.731  -2.051
   77    HE2  PHE  12           HE1      PHE  12   2.184   0.996  -2.734
   78    HZ   PHE  12           HZ       PHE  12  -0.128   1.111  -3.576
   79    H    CYS  13           H        CYS  13  -1.519   1.143   3.454
   80    HA   CYS  13           HA       CYS  13  -2.529  -1.143   1.903
   81    HB2  CYS  13           HB2      CYS  13  -3.859   0.065   4.323
   82    HB3  CYS  13           HB1      CYS  13  -4.126  -1.524   3.614
   83    H    ILE  14           H        ILE  14  -4.574  -1.013   0.898
   84    HA   ILE  14           HA       ILE  14  -5.426   1.745   0.311
   85    HB   ILE  14           HB       ILE  14  -6.498   0.565  -1.748
   86   HG12  ILE  14          HG12      ILE  14  -4.285  -1.379  -1.050
   87   HG13  ILE  14          HG11      ILE  14  -6.009  -1.728  -0.970
   88   HG21  ILE  14          HG21      ILE  14  -4.922   1.706  -2.820
   89   HG22  ILE  14          HG22      ILE  14  -4.078   1.895  -1.284
   90   HG23  ILE  14          HG23      ILE  14  -3.688   0.540  -2.345
   91   HD11  ILE  14          HD11      ILE  14  -4.253  -1.389  -3.350
   92   HD12  ILE  14          HD12      ILE  14  -5.429  -2.651  -2.986
   93   HD13  ILE  14          HD13      ILE  14  -5.979  -1.050  -3.480
   94    HA   PRO  15           HA       PRO  15  -9.451   0.989   1.886
   95    HB2  PRO  15           HB2      PRO  15 -11.010   2.350   0.129
   96    HB3  PRO  15           HB1      PRO  15  -9.970   3.152   1.312
   97    HG2  PRO  15           HG2      PRO  15  -9.484   2.635  -1.597
   98    HG3  PRO  15           HG1      PRO  15  -9.159   4.099  -0.651
   99    HD2  PRO  15           HD2      PRO  15  -7.224   2.316  -1.287
  100    HD3  PRO  15           HD1      PRO  15  -7.200   3.253   0.221
  101    H    ASP  16           H        ASP  16  -8.896   0.273  -1.508
  102    HA   ASP  16           HA       ASP  16 -11.295  -1.299  -1.785
  103    HB2  ASP  16           HB2      ASP  16 -10.040  -0.005  -3.637
  104    HB3  ASP  16           HB1      ASP  16  -8.951  -1.388  -3.667
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.602  -2.401   0.111
    2    HA2  GLY   1           HA2      GLY   1  -7.983  -4.809  -1.153
    3    HA3  GLY   1           HA1      GLY   1  -7.026  -3.558  -1.931
    4    HA   PRO   2           HA       PRO   2  -5.072  -5.163   2.099
    5    HB2  PRO   2           HB2      PRO   2  -3.094  -6.663   0.999
    6    HB3  PRO   2           HB1      PRO   2  -4.682  -7.321   1.411
    7    HG2  PRO   2           HG2      PRO   2  -3.635  -6.425  -1.246
    8    HG3  PRO   2           HG1      PRO   2  -4.593  -7.863  -0.848
    9    HD2  PRO   2           HD2      PRO   2  -5.689  -5.633  -1.926
   10    HD3  PRO   2           HD1      PRO   2  -6.573  -6.684  -0.801
   11    H    CYS   3           H        CYS   3  -2.366  -5.319   2.168
   12    HA   CYS   3           HA       CYS   3  -1.564  -2.643   1.265
   13    HB2  CYS   3           HB2      CYS   3   0.002  -4.255   3.246
   14    HB3  CYS   3           HB1      CYS   3  -0.139  -2.506   3.098
   15    H    PHE   4           H        PHE   4   0.460  -2.298   0.289
   16    HA   PHE   4           HA       PHE   4   1.940  -4.664  -0.590
   17    HB2  PHE   4           HB2      PHE   4   0.573  -2.672  -2.366
   18    HB3  PHE   4           HB1      PHE   4   2.051  -3.460  -2.908
   19    HD1  PHE   4           HD2      PHE   4   2.106  -5.910  -3.204
   20    HD2  PHE   4           HD1      PHE   4  -1.495  -3.831  -2.295
   21    HE1  PHE   4           HE2      PHE   4   0.800  -7.863  -3.932
   22    HE2  PHE   4           HE1      PHE   4  -2.807  -5.781  -3.020
   23    HZ   PHE   4           HZ       PHE   4  -1.661  -7.801  -3.839
   24    HA   PRO   5           HA       PRO   5   5.388  -2.110   0.416
   25    HB2  PRO   5           HB2      PRO   5   7.316  -3.509  -0.886
   26    HB3  PRO   5           HB1      PRO   5   6.576  -4.065   0.620
   27    HG2  PRO   5           HG2      PRO   5   5.976  -4.877  -2.198
   28    HG3  PRO   5           HG1      PRO   5   6.128  -5.890  -0.750
   29    HD2  PRO   5           HD2      PRO   5   3.729  -5.155  -1.769
   30    HD3  PRO   5           HD1      PRO   5   3.993  -5.400  -0.031
   31    H    MET   6           H        MET   6   4.459  -0.361  -0.954
   32    HA   MET   6           HA       MET   6   6.306   0.264  -3.102
   33    HB2  MET   6           HB2      MET   6   3.423  -0.319  -3.524
   34    HB3  MET   6           HB1      MET   6   4.098   1.051  -4.397
   35    HG2  MET   6           HG2      MET   6   5.806  -0.405  -5.362
   36    HG3  MET   6           HG1      MET   6   5.122  -1.778  -4.492
   37    HE1  MET   6           HE1      MET   6   3.827  -3.199  -5.164
   38    HE2  MET   6           HE2      MET   6   2.210  -2.850  -5.774
   39    HE3  MET   6           HE3      MET   6   3.465  -3.421  -6.876
   40    H    GLY   7           H        GLY   7   5.559   2.547  -4.047
   41    HA2  GLY   7           HA2      GLY   7   4.985   4.758  -3.637
   42    HA3  GLY   7           HA1      GLY   7   4.302   4.263  -2.095
   43    HA   PRO   8           HA       PRO   8   8.265   6.615  -1.367
   44    HB2  PRO   8           HB2      PRO   8   7.191   8.392   0.382
   45    HB3  PRO   8           HB1      PRO   8   7.201   8.652  -1.366
   46    HG2  PRO   8           HG2      PRO   8   4.993   7.646   0.388
   47    HG3  PRO   8           HG1      PRO   8   4.920   8.814  -0.944
   48    HD2  PRO   8           HD2      PRO   8   4.186   6.224  -1.236
   49    HD3  PRO   8           HD1      PRO   8   4.909   7.166  -2.555
   50    H    TRP   9           H        TRP   9   5.719   5.450   0.779
   51    HA   TRP   9           HA       TRP   9   7.596   5.171   2.989
   52    HB2  TRP   9           HB2      TRP   9   4.623   4.889   2.702
   53    HB3  TRP   9           HB1      TRP   9   5.443   4.181   4.090
   54    HD1  TRP   9           HD       TRP   9   6.549   7.551   2.640
   55    HE1  TRP   9           HE1      TRP   9   6.090   9.384   4.388
   56    HE3  TRP   9           HE3      TRP   9   3.977   4.772   6.075
   57    HZ2  TRP   9           HZ2      TRP   9   4.809   9.621   6.892
   58    HZ3  TRP   9           HZ3      TRP   9   3.170   5.877   8.120
   59    HH2  TRP   9           HH       TRP   9   3.578   8.251   8.519
   60    H    GLY  10           H        GLY  10   5.579   3.134   0.897
   61    HA2  GLY  10           HA2      GLY  10   6.620   1.053   0.100
   62    HA3  GLY  10           HA1      GLY  10   7.238   0.835   1.731
   63    HA   PRO  11           HA       PRO  11   3.775  -1.732   2.571
   64    HB2  PRO  11           HB2      PRO  11   3.717  -1.535   5.278
   65    HB3  PRO  11           HB1      PRO  11   4.945  -2.462   4.408
   66    HG2  PRO  11           HG2      PRO  11   5.116   0.295   5.559
   67    HG3  PRO  11           HG1      PRO  11   6.307  -1.016   5.615
   68    HD2  PRO  11           HD2      PRO  11   6.493   1.047   3.872
   69    HD3  PRO  11           HD1      PRO  11   7.066  -0.587   3.481
   70    H    PHE  12           H        PHE  12   2.313  -0.153   1.524
   71    HA   PHE  12           HA       PHE  12   0.709   1.331   3.500
   72    HB2  PHE  12           HB2      PHE  12   0.205   2.960   1.886
   73    HB3  PHE  12           HB1      PHE  12   1.912   2.620   1.620
   74    HD1  PHE  12           HD2      PHE  12  -1.479   2.228   0.298
   75    HD2  PHE  12           HD1      PHE  12   2.662   1.508  -0.377
   76    HE1  PHE  12           HE2      PHE  12  -1.956   1.719  -2.061
   77    HE2  PHE  12           HE1      PHE  12   2.191   0.997  -2.738
   78    HZ   PHE  12           HZ       PHE  12  -0.120   1.104  -3.583
   79    H    CYS  13           H        CYS  13  -1.519   1.142   3.456
   80    HA   CYS  13           HA       CYS  13  -2.532  -1.143   1.905
   81    HB2  CYS  13           HB2      CYS  13  -3.859   0.068   4.327
   82    HB3  CYS  13           HB1      CYS  13  -4.127  -1.522   3.618
   83    H    ILE  14           H        ILE  14  -4.572  -1.013   0.896
   84    HA   ILE  14           HA       ILE  14  -5.427   1.744   0.309
   85    HB   ILE  14           HB       ILE  14  -6.497   0.566  -1.750
   86   HG12  ILE  14          HG12      ILE  14  -4.292  -1.386  -1.048
   87   HG13  ILE  14          HG11      ILE  14  -6.018  -1.729  -0.971
   88   HG21  ILE  14          HG21      ILE  14  -3.678   0.532  -2.325
   89   HG22  ILE  14          HG22      ILE  14  -4.912   1.683  -2.834
   90   HG23  ILE  14          HG23      ILE  14  -4.087   1.900  -1.291
   91   HD11  ILE  14          HD11      ILE  14  -4.929  -2.633  -2.984
   92   HD12  ILE  14          HD12      ILE  14  -6.215  -1.484  -3.354
   93   HD13  ILE  14          HD13      ILE  14  -4.528  -0.988  -3.476
   94    HA   PRO  15           HA       PRO  15  -9.451   0.989   1.886
   95    HB2  PRO  15           HB2      PRO  15 -11.011   2.349   0.129
   96    HB3  PRO  15           HB1      PRO  15  -9.970   3.152   1.311
   97    HG2  PRO  15           HG2      PRO  15  -9.485   2.634  -1.597
   98    HG3  PRO  15           HG1      PRO  15  -9.159   4.098  -0.652
   99    HD2  PRO  15           HD2      PRO  15  -7.224   2.314  -1.289
  100    HD3  PRO  15           HD1      PRO  15  -7.200   3.252   0.219
  101    H    ASP  16           H        ASP  16  -8.895   0.270  -1.507
  102    HA   ASP  16           HA       ASP  16 -11.296  -1.301  -1.783
  103    HB2  ASP  16           HB2      ASP  16  -8.886  -0.997  -3.587
  104    HB3  ASP  16           HB1      ASP  16 -10.342  -1.893  -4.007
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.548  -2.321   0.064
    2    HA2  GLY   1           HA2      GLY   1  -7.994  -4.803  -1.161
    3    HA3  GLY   1           HA1      GLY   1  -7.035  -3.551  -1.936
    4    HA   PRO   2           HA       PRO   2  -5.079  -5.174   2.085
    5    HB2  PRO   2           HB2      PRO   2  -3.101  -6.667   0.977
    6    HB3  PRO   2           HB1      PRO   2  -4.688  -7.327   1.387
    7    HG2  PRO   2           HG2      PRO   2  -3.642  -6.417  -1.267
    8    HG3  PRO   2           HG1      PRO   2  -4.601  -7.857  -0.876
    9    HD2  PRO   2           HD2      PRO   2  -5.698  -5.623  -1.941
   10    HD3  PRO   2           HD1      PRO   2  -6.581  -6.680  -0.821
   11    H    CYS   3           H        CYS   3  -2.371  -5.330   2.148
   12    HA   CYS   3           HA       CYS   3  -1.571  -2.649   1.255
   13    HB2  CYS   3           HB2      CYS   3  -0.008  -4.262   3.239
   14    HB3  CYS   3           HB1      CYS   3  -0.151  -2.513   3.092
   15    H    PHE   4           H        PHE   4   0.474  -2.306   0.307
   16    HA   PHE   4           HA       PHE   4   1.955  -4.668  -0.573
   17    HB2  PHE   4           HB2      PHE   4   0.585  -2.687  -2.359
   18    HB3  PHE   4           HB1      PHE   4   2.068  -3.470  -2.895
   19    HD1  PHE   4           HD2      PHE   4   2.134  -5.905  -3.224
   20    HD2  PHE   4           HD1      PHE   4  -1.475  -3.871  -2.249
   21    HE1  PHE   4           HE2      PHE   4   0.837  -7.865  -3.950
   22    HE2  PHE   4           HE1      PHE   4  -2.778  -5.828  -2.972
   23    HZ   PHE   4           HZ       PHE   4  -1.622  -7.829  -3.826
   24    HA   PRO   5           HA       PRO   5   5.392  -2.100   0.431
   25    HB2  PRO   5           HB2      PRO   5   7.327  -3.492  -0.868
   26    HB3  PRO   5           HB1      PRO   5   6.588  -4.052   0.636
   27    HG2  PRO   5           HG2      PRO   5   5.994  -4.866  -2.182
   28    HG3  PRO   5           HG1      PRO   5   6.148  -5.878  -0.734
   29    HD2  PRO   5           HD2      PRO   5   3.747  -5.152  -1.755
   30    HD3  PRO   5           HD1      PRO   5   4.011  -5.396  -0.016
   31    H    MET   6           H        MET   6   4.431  -0.371  -0.959
   32    HA   MET   6           HA       MET   6   6.283   0.261  -3.106
   33    HB2  MET   6           HB2      MET   6   3.397  -0.320  -3.513
   34    HB3  MET   6           HB1      MET   6   4.069   1.050  -4.388
   35    HG2  MET   6           HG2      MET   6   5.314  -1.680  -4.462
   36    HG3  MET   6           HG1      MET   6   4.050  -1.178  -5.582
   37    HE1  MET   6           HE1      MET   6   7.000  -2.218  -5.590
   38    HE2  MET   6           HE2      MET   6   7.107  -1.784  -7.297
   39    HE3  MET   6           HE3      MET   6   8.242  -1.091  -6.137
   40    H    GLY   7           H        GLY   7   5.524   2.544  -4.049
   41    HA2  GLY   7           HA2      GLY   7   4.955   4.756  -3.635
   42    HA3  GLY   7           HA1      GLY   7   4.280   4.261  -2.090
   43    HA   PRO   8           HA       PRO   8   8.248   6.612  -1.385
   44    HB2  PRO   8           HB2      PRO   8   7.186   8.391   0.370
   45    HB3  PRO   8           HB1      PRO   8   7.186   8.649  -1.378
   46    HG2  PRO   8           HG2      PRO   8   4.987   7.646   0.388
   47    HG3  PRO   8           HG1      PRO   8   4.907   8.813  -0.945
   48    HD2  PRO   8           HD2      PRO   8   4.171   6.223  -1.231
   49    HD3  PRO   8           HD1      PRO   8   4.887   7.164  -2.555
   50    H    TRP   9           H        TRP   9   5.713   5.457   0.779
   51    HA   TRP   9           HA       TRP   9   7.600   5.177   2.980
   52    HB2  TRP   9           HB2      TRP   9   5.084   5.923   3.109
   53    HB3  TRP   9           HB1      TRP   9   4.776   4.189   3.095
   54    HD1  TRP   9           HD       TRP   9   7.559   6.101   5.005
   55    HE1  TRP   9           HE1      TRP   9   7.339   5.527   7.505
   56    HE3  TRP   9           HE3      TRP   9   3.348   3.208   4.806
   57    HZ2  TRP   9           HZ2      TRP   9   5.609   4.045   9.172
   58    HZ3  TRP   9           HZ3      TRP   9   2.475   2.250   6.898
   59    HH2  TRP   9           HH       TRP   9   3.585   2.660   9.035
   60    H    GLY  10           H        GLY  10   5.580   3.134   0.897
   61    HA2  GLY  10           HA2      GLY  10   6.624   1.055   0.096
   62    HA3  GLY  10           HA1      GLY  10   7.249   0.839   1.726
   63    HA   PRO  11           HA       PRO  11   3.796  -1.735   2.580
   64    HB2  PRO  11           HB2      PRO  11   3.749  -1.539   5.288
   65    HB3  PRO  11           HB1      PRO  11   4.976  -2.463   4.412
   66    HG2  PRO  11           HG2      PRO  11   5.145   0.296   5.563
   67    HG3  PRO  11           HG1      PRO  11   6.341  -1.013   5.613
   68    HD2  PRO  11           HD2      PRO  11   6.512   1.050   3.868
   69    HD3  PRO  11           HD1      PRO  11   7.088  -0.582   3.476
   70    H    PHE  12           H        PHE  12   2.325  -0.162   1.540
   71    HA   PHE  12           HA       PHE  12   0.722   1.313   3.525
   72    HB2  PHE  12           HB2      PHE  12   0.217   2.952   1.924
   73    HB3  PHE  12           HB1      PHE  12   1.922   2.611   1.646
   74    HD1  PHE  12           HD2      PHE  12  -1.474   2.240   0.338
   75    HD2  PHE  12           HD1      PHE  12   2.660   1.503  -0.359
   76    HE1  PHE  12           HE2      PHE  12  -1.963   1.746  -2.023
   77    HE2  PHE  12           HE1      PHE  12   2.178   1.008  -2.720
   78    HZ   PHE  12           HZ       PHE  12  -0.137   1.128  -3.555
   79    H    CYS  13           H        CYS  13  -1.517   1.151   3.447
   80    HA   CYS  13           HA       CYS  13  -2.523  -1.140   1.897
   81    HB2  CYS  13           HB2      CYS  13  -3.857   0.059   4.320
   82    HB3  CYS  13           HB1      CYS  13  -4.119  -1.528   3.606
   83    H    ILE  14           H        ILE  14  -4.576  -1.007   0.901
   84    HA   ILE  14           HA       ILE  14  -5.426   1.754   0.323
   85    HB   ILE  14           HB       ILE  14  -6.497   0.571  -1.742
   86   HG12  ILE  14          HG12      ILE  14  -4.171  -1.294  -1.303
   87   HG13  ILE  14          HG11      ILE  14  -5.799  -1.708  -0.777
   88   HG21  ILE  14          HG21      ILE  14  -3.920   1.752  -1.234
   89   HG22  ILE  14          HG22      ILE  14  -3.827   0.589  -2.556
   90   HG23  ILE  14          HG23      ILE  14  -4.976   1.923  -2.635
   91   HD11  ILE  14          HD11      ILE  14  -5.415  -2.716  -2.896
   92   HD12  ILE  14          HD12      ILE  14  -6.556  -1.390  -3.127
   93   HD13  ILE  14          HD13      ILE  14  -4.866  -1.189  -3.585
   94    HA   PRO  15           HA       PRO  15  -9.454   0.982   1.884
   95    HB2  PRO  15           HB2      PRO  15 -11.013   2.345   0.128
   96    HB3  PRO  15           HB1      PRO  15  -9.977   3.145   1.316
   97    HG2  PRO  15           HG2      PRO  15  -9.483   2.640  -1.593
   98    HG3  PRO  15           HG1      PRO  15  -9.164   4.102  -0.641
   99    HD2  PRO  15           HD2      PRO  15  -7.222   2.326  -1.280
  100    HD3  PRO  15           HD1      PRO  15  -7.205   3.258   0.231
  101    H    ASP  16           H        ASP  16  -8.894   0.285  -1.515
  102    HA   ASP  16           HA       ASP  16 -11.289  -1.284  -1.812
  103    HB2  ASP  16           HB2      ASP  16  -8.888  -0.777  -3.557
  104    HB3  ASP  16           HB1      ASP  16 -10.108  -1.968  -3.997
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -8.391  -2.232  -0.271
    2    HA2  GLY   1           HA2      GLY   1  -8.100  -4.873  -1.076
    3    HA3  GLY   1           HA1      GLY   1  -6.966  -3.937  -2.039
    4    HA   PRO   2           HA       PRO   2  -5.118  -5.121   2.129
    5    HB2  PRO   2           HB2      PRO   2  -3.105  -6.659   1.152
    6    HB3  PRO   2           HB1      PRO   2  -4.699  -7.307   1.559
    7    HG2  PRO   2           HG2      PRO   2  -3.594  -6.536  -1.114
    8    HG3  PRO   2           HG1      PRO   2  -4.552  -7.958  -0.668
    9    HD2  PRO   2           HD2      PRO   2  -5.637  -5.794  -1.881
   10    HD3  PRO   2           HD1      PRO   2  -6.540  -6.794  -0.726
   11    H    CYS   3           H        CYS   3  -2.396  -5.277   2.233
   12    HA   CYS   3           HA       CYS   3  -1.607  -2.615   1.286
   13    HB2  CYS   3           HB2      CYS   3   0.006  -4.205   3.244
   14    HB3  CYS   3           HB1      CYS   3  -0.172  -2.459   3.104
   15    H    PHE   4           H        PHE   4   0.419  -2.268   0.301
   16    HA   PHE   4           HA       PHE   4   1.873  -4.638  -0.613
   17    HB2  PHE   4           HB2      PHE   4   0.510  -2.611  -2.351
   18    HB3  PHE   4           HB1      PHE   4   1.983  -3.392  -2.914
   19    HD1  PHE   4           HD2      PHE   4   2.032  -5.842  -3.242
   20    HD2  PHE   4           HD1      PHE   4  -1.559  -3.763  -2.296
   21    HE1  PHE   4           HE2      PHE   4   0.717  -7.779  -3.996
   22    HE2  PHE   4           HE1      PHE   4  -2.882  -5.697  -3.046
   23    HZ   PHE   4           HZ       PHE   4  -1.744  -7.708  -3.899
   24    HA   PRO   5           HA       PRO   5   5.341  -2.121   0.433
   25    HB2  PRO   5           HB2      PRO   5   7.261  -3.559  -0.838
   26    HB3  PRO   5           HB1      PRO   5   6.499  -4.092   0.665
   27    HG2  PRO   5           HG2      PRO   5   5.914  -4.919  -2.152
   28    HG3  PRO   5           HG1      PRO   5   6.037  -5.921  -0.694
   29    HD2  PRO   5           HD2      PRO   5   3.660  -5.160  -1.743
   30    HD3  PRO   5           HD1      PRO   5   3.903  -5.394   0.000
   31    H    MET   6           H        MET   6   4.467  -0.363  -0.950
   32    HA   MET   6           HA       MET   6   6.343   0.225  -3.078
   33    HB2  MET   6           HB2      MET   6   3.467  -0.354  -3.554
   34    HB3  MET   6           HB1      MET   6   4.165   1.005  -4.426
   35    HG2  MET   6           HG2      MET   6   5.912  -0.490  -5.304
   36    HG3  MET   6           HG1      MET   6   5.134  -1.842  -4.484
   37    HE1  MET   6           HE1      MET   6   5.302  -0.472  -8.179
   38    HE2  MET   6           HE2      MET   6   3.810   0.466  -8.149
   39    HE3  MET   6           HE3      MET   6   5.100   0.827  -7.002
   40    H    GLY   7           H        GLY   7   5.602   2.500  -4.068
   41    HA2  GLY   7           HA2      GLY   7   5.026   4.715  -3.691
   42    HA3  GLY   7           HA1      GLY   7   4.323   4.238  -2.152
   43    HA   PRO   8           HA       PRO   8   8.274   6.598  -1.397
   44    HB2  PRO   8           HB2      PRO   8   7.179   8.389   0.325
   45    HB3  PRO   8           HB1      PRO   8   7.208   8.634  -1.425
   46    HG2  PRO   8           HG2      PRO   8   4.982   7.640   0.311
   47    HG3  PRO   8           HG1      PRO   8   4.923   8.797  -1.032
   48    HD2  PRO   8           HD2      PRO   8   4.196   6.203  -1.309
   49    HD3  PRO   8           HD1      PRO   8   4.933   7.134  -2.628
   50    H    TRP   9           H        TRP   9   5.704   5.457   0.734
   51    HA   TRP   9           HA       TRP   9   7.558   5.194   2.966
   52    HB2  TRP   9           HB2      TRP   9   4.586   4.833   2.664
   53    HB3  TRP   9           HB1      TRP   9   5.433   4.263   4.099
   54    HD1  TRP   9           HD       TRP   9   6.178   7.595   2.303
   55    HE1  TRP   9           HE1      TRP   9   5.724   9.517   3.954
   56    HE3  TRP   9           HE3      TRP   9   4.243   4.889   6.185
   57    HZ2  TRP   9           HZ2      TRP   9   4.685   9.842   6.557
   58    HZ3  TRP   9           HZ3      TRP   9   3.543   6.081   8.220
   59    HH2  TRP   9           HH       TRP   9   3.760   8.507   8.400
   60    H    GLY  10           H        GLY  10   5.564   3.138   0.870
   61    HA2  GLY  10           HA2      GLY  10   6.611   1.050   0.103
   62    HA3  GLY  10           HA1      GLY  10   7.216   0.848   1.741
   63    HA   PRO  11           HA       PRO  11   3.748  -1.718   2.567
   64    HB2  PRO  11           HB2      PRO  11   3.683  -1.518   5.273
   65    HB3  PRO  11           HB1      PRO  11   4.912  -2.449   4.408
   66    HG2  PRO  11           HG2      PRO  11   5.084   0.310   5.556
   67    HG3  PRO  11           HG1      PRO  11   6.274  -1.003   5.617
   68    HD2  PRO  11           HD2      PRO  11   6.467   1.057   3.871
   69    HD3  PRO  11           HD1      PRO  11   7.039  -0.578   3.484
   70    H    PHE  12           H        PHE  12   2.305  -0.118   1.510
   71    HA   PHE  12           HA       PHE  12   0.709   1.389   3.475
   72    HB2  PHE  12           HB2      PHE  12   0.165   2.965   1.809
   73    HB3  PHE  12           HB1      PHE  12   1.880   2.646   1.570
   74    HD1  PHE  12           HD2      PHE  12  -1.493   2.122   0.235
   75    HD2  PHE  12           HD1      PHE  12   2.676   1.535  -0.399
   76    HE1  PHE  12           HE2      PHE  12  -1.935   1.541  -2.115
   77    HE2  PHE  12           HE1      PHE  12   2.240   0.954  -2.750
   78    HZ   PHE  12           HZ       PHE  12  -0.067   0.956  -3.611
   79    H    CYS  13           H        CYS  13  -1.505   1.164   3.504
   80    HA   CYS  13           HA       CYS  13  -2.549  -1.132   1.991
   81    HB2  CYS  13           HB2      CYS  13  -3.804   0.088   4.446
   82    HB3  CYS  13           HB1      CYS  13  -4.105  -1.499   3.747
   83    H    ILE  14           H        ILE  14  -4.526  -1.002   0.929
   84    HA   ILE  14           HA       ILE  14  -5.449   1.743   0.403
   85    HB   ILE  14           HB       ILE  14  -6.513   0.606  -1.660
   86   HG12  ILE  14          HG12      ILE  14  -4.371  -1.416  -0.965
   87   HG13  ILE  14          HG11      ILE  14  -6.106  -1.708  -0.917
   88   HG21  ILE  14          HG21      ILE  14  -3.728   0.492  -2.297
   89   HG22  ILE  14          HG22      ILE  14  -4.911   1.737  -2.697
   90   HG23  ILE  14          HG23      ILE  14  -4.021   1.822  -1.177
   91   HD11  ILE  14          HD11      ILE  14  -5.346  -2.655  -2.922
   92   HD12  ILE  14          HD12      ILE  14  -6.125  -1.140  -3.381
   93   HD13  ILE  14          HD13      ILE  14  -4.366  -1.241  -3.312
   94    HA   PRO  15           HA       PRO  15  -9.440   0.921   2.033
   95    HB2  PRO  15           HB2      PRO  15 -11.035   2.303   0.324
   96    HB3  PRO  15           HB1      PRO  15  -9.984   3.091   1.507
   97    HG2  PRO  15           HG2      PRO  15  -9.535   2.634  -1.417
   98    HG3  PRO  15           HG1      PRO  15  -9.209   4.083  -0.448
   99    HD2  PRO  15           HD2      PRO  15  -7.268   2.328  -1.145
  100    HD3  PRO  15           HD1      PRO  15  -7.231   3.236   0.380
  101    H    ASP  16           H        ASP  16  -8.910   0.260  -1.374
  102    HA   ASP  16           HA       ASP  16 -11.083  -1.730  -1.291
  103    HB2  ASP  16           HB2      ASP  16  -9.940  -0.171  -3.613
  104    HB3  ASP  16           HB1      ASP  16 -11.015  -1.553  -3.815
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.391  -2.233  -0.270
    2    HA2  GLY   1           HA2      GLY   1  -8.099  -4.875  -1.074
    3    HA3  GLY   1           HA1      GLY   1  -6.966  -3.939  -2.038
    4    HA   PRO   2           HA       PRO   2  -5.116  -5.121   2.132
    5    HB2  PRO   2           HB2      PRO   2  -3.104  -6.658   1.156
    6    HB3  PRO   2           HB1      PRO   2  -4.697  -7.306   1.563
    7    HG2  PRO   2           HG2      PRO   2  -3.593  -6.535  -1.111
    8    HG3  PRO   2           HG1      PRO   2  -4.551  -7.959  -0.665
    9    HD2  PRO   2           HD2      PRO   2  -5.637  -5.795  -1.877
   10    HD3  PRO   2           HD1      PRO   2  -6.540  -6.794  -0.722
   11    H    CYS   3           H        CYS   3  -2.395  -5.275   2.235
   12    HA   CYS   3           HA       CYS   3  -1.607  -2.613   1.286
   13    HB2  CYS   3           HB2      CYS   3   0.008  -4.200   3.244
   14    HB3  CYS   3           HB1      CYS   3  -0.175  -2.454   3.104
   15    H    PHE   4           H        PHE   4   0.417  -2.267   0.298
   16    HA   PHE   4           HA       PHE   4   1.872  -4.636  -0.613
   17    HB2  PHE   4           HB2      PHE   4   0.508  -2.611  -2.351
   18    HB3  PHE   4           HB1      PHE   4   1.982  -3.391  -2.915
   19    HD1  PHE   4           HD2      PHE   4   2.034  -5.834  -3.259
   20    HD2  PHE   4           HD1      PHE   4  -1.560  -3.770  -2.282
   21    HE1  PHE   4           HE2      PHE   4   0.719  -7.772  -4.013
   22    HE2  PHE   4           HE1      PHE   4  -2.880  -5.706  -3.034
   23    HZ   PHE   4           HZ       PHE   4  -1.740  -7.710  -3.902
   24    HA   PRO   5           HA       PRO   5   5.341  -2.120   0.431
   25    HB2  PRO   5           HB2      PRO   5   7.260  -3.558  -0.840
   26    HB3  PRO   5           HB1      PRO   5   6.498  -4.092   0.663
   27    HG2  PRO   5           HG2      PRO   5   5.913  -4.918  -2.154
   28    HG3  PRO   5           HG1      PRO   5   6.036  -5.921  -0.697
   29    HD2  PRO   5           HD2      PRO   5   3.658  -5.159  -1.745
   30    HD3  PRO   5           HD1      PRO   5   3.902  -5.394  -0.002
   31    H    MET   6           H        MET   6   4.466  -0.363  -0.952
   32    HA   MET   6           HA       MET   6   6.342   0.225  -3.080
   33    HB2  MET   6           HB2      MET   6   3.466  -0.352  -3.554
   34    HB3  MET   6           HB1      MET   6   4.163   1.007  -4.427
   35    HG2  MET   6           HG2      MET   6   5.899  -0.479  -5.321
   36    HG3  MET   6           HG1      MET   6   5.151  -1.834  -4.481
   37    HE1  MET   6           HE1      MET   6   3.265   0.504  -7.970
   38    HE2  MET   6           HE2      MET   6   3.074   1.097  -6.321
   39    HE3  MET   6           HE3      MET   6   4.682   0.986  -7.038
   40    H    GLY   7           H        GLY   7   5.602   2.500  -4.068
   41    HA2  GLY   7           HA2      GLY   7   5.027   4.717  -3.690
   42    HA3  GLY   7           HA1      GLY   7   4.324   4.239  -2.152
   43    HA   PRO   8           HA       PRO   8   8.278   6.596  -1.396
   44    HB2  PRO   8           HB2      PRO   8   7.183   8.388   0.327
   45    HB3  PRO   8           HB1      PRO   8   7.213   8.633  -1.424
   46    HG2  PRO   8           HG2      PRO   8   4.985   7.640   0.313
   47    HG3  PRO   8           HG1      PRO   8   4.928   8.797  -1.030
   48    HD2  PRO   8           HD2      PRO   8   4.199   6.204  -1.309
   49    HD3  PRO   8           HD1      PRO   8   4.936   7.136  -2.628
   50    H    TRP   9           H        TRP   9   5.705   5.457   0.735
   51    HA   TRP   9           HA       TRP   9   7.558   5.193   2.966
   52    HB2  TRP   9           HB2      TRP   9   4.588   4.904   2.649
   53    HB3  TRP   9           HB1      TRP   9   5.395   4.217   4.055
   54    HD1  TRP   9           HD       TRP   9   5.933   7.667   2.350
   55    HE1  TRP   9           HE1      TRP   9   5.675   9.485   4.154
   56    HE3  TRP   9           HE3      TRP   9   4.705   4.696   6.325
   57    HZ2  TRP   9           HZ2      TRP   9   5.036   9.639   6.900
   58    HZ3  TRP   9           HZ3      TRP   9   4.288   5.757   8.506
   59    HH2  TRP   9           HH       TRP   9   4.450   8.177   8.785
   60    H    GLY  10           H        GLY  10   5.564   3.138   0.871
   61    HA2  GLY  10           HA2      GLY  10   6.611   1.050   0.102
   62    HA3  GLY  10           HA1      GLY  10   7.215   0.846   1.740
   63    HA   PRO  11           HA       PRO  11   3.745  -1.718   2.564
   64    HB2  PRO  11           HB2      PRO  11   3.680  -1.520   5.271
   65    HB3  PRO  11           HB1      PRO  11   4.908  -2.451   4.405
   66    HG2  PRO  11           HG2      PRO  11   5.083   0.308   5.555
   67    HG3  PRO  11           HG1      PRO  11   6.272  -1.007   5.615
   68    HD2  PRO  11           HD2      PRO  11   6.466   1.055   3.871
   69    HD3  PRO  11           HD1      PRO  11   7.037  -0.581   3.483
   70    H    PHE  12           H        PHE  12   2.302  -0.118   1.508
   71    HA   PHE  12           HA       PHE  12   0.708   1.391   3.474
   72    HB2  PHE  12           HB2      PHE  12   0.164   2.966   1.809
   73    HB3  PHE  12           HB1      PHE  12   1.879   2.647   1.569
   74    HD1  PHE  12           HD2      PHE  12  -1.494   2.124   0.233
   75    HD2  PHE  12           HD1      PHE  12   2.675   1.538  -0.399
   76    HE1  PHE  12           HE2      PHE  12  -1.935   1.544  -2.116
   77    HE2  PHE  12           HE1      PHE  12   2.239   0.957  -2.750
   78    HZ   PHE  12           HZ       PHE  12  -0.068   0.959  -3.611
   79    H    CYS  13           H        CYS  13  -1.504   1.161   3.508
   80    HA   CYS  13           HA       CYS  13  -2.550  -1.133   1.994
   81    HB2  CYS  13           HB2      CYS  13  -3.804   0.089   4.449
   82    HB3  CYS  13           HB1      CYS  13  -4.107  -1.499   3.751
   83    H    ILE  14           H        ILE  14  -4.527  -1.002   0.931
   84    HA   ILE  14           HA       ILE  14  -5.450   1.743   0.405
   85    HB   ILE  14           HB       ILE  14  -6.511   0.605  -1.660
   86   HG12  ILE  14          HG12      ILE  14  -4.369  -1.415  -0.964
   87   HG13  ILE  14          HG11      ILE  14  -6.104  -1.708  -0.916
   88   HG21  ILE  14          HG21      ILE  14  -4.054   1.857  -1.186
   89   HG22  ILE  14          HG22      ILE  14  -3.703   0.498  -2.252
   90   HG23  ILE  14          HG23      ILE  14  -4.901   1.702  -2.725
   91   HD11  ILE  14          HD11      ILE  14  -4.353  -2.084  -3.065
   92   HD12  ILE  14          HD12      ILE  14  -6.109  -2.243  -3.058
   93   HD13  ILE  14          HD13      ILE  14  -5.364  -0.704  -3.490
   94    HA   PRO  15           HA       PRO  15  -9.442   0.921   2.031
   95    HB2  PRO  15           HB2      PRO  15 -11.035   2.301   0.321
   96    HB3  PRO  15           HB1      PRO  15  -9.986   3.091   1.505
   97    HG2  PRO  15           HG2      PRO  15  -9.534   2.632  -1.419
   98    HG3  PRO  15           HG1      PRO  15  -9.209   4.081  -0.450
   99    HD2  PRO  15           HD2      PRO  15  -7.267   2.327  -1.145
  100    HD3  PRO  15           HD1      PRO  15  -7.231   3.235   0.379
  101    H    ASP  16           H        ASP  16  -8.909   0.259  -1.376
  102    HA   ASP  16           HA       ASP  16 -11.081  -1.732  -1.293
  103    HB2  ASP  16           HB2      ASP  16  -9.947  -0.150  -3.600
  104    HB3  ASP  16           HB1      ASP  16 -10.985  -1.555  -3.827
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.395  -2.239  -0.265
    2    HA2  GLY   1           HA2      GLY   1  -8.093  -4.875  -1.081
    3    HA3  GLY   1           HA1      GLY   1  -6.963  -3.931  -2.040
    4    HA   PRO   2           HA       PRO   2  -5.116  -5.123   2.129
    5    HB2  PRO   2           HB2      PRO   2  -3.102  -6.660   1.151
    6    HB3  PRO   2           HB1      PRO   2  -4.696  -7.309   1.556
    7    HG2  PRO   2           HG2      PRO   2  -3.590  -6.534  -1.116
    8    HG3  PRO   2           HG1      PRO   2  -4.550  -7.958  -0.672
    9    HD2  PRO   2           HD2      PRO   2  -5.633  -5.792  -1.882
   10    HD3  PRO   2           HD1      PRO   2  -6.537  -6.794  -0.728
   11    H    CYS   3           H        CYS   3  -2.394  -5.279   2.233
   12    HA   CYS   3           HA       CYS   3  -1.605  -2.616   1.289
   13    HB2  CYS   3           HB2      CYS   3   0.006  -4.209   3.246
   14    HB3  CYS   3           HB1      CYS   3  -0.169  -2.463   3.106
   15    H    PHE   4           H        PHE   4   0.412  -2.266   0.295
   16    HA   PHE   4           HA       PHE   4   1.869  -4.634  -0.621
   17    HB2  PHE   4           HB2      PHE   4   0.506  -2.601  -2.353
   18    HB3  PHE   4           HB1      PHE   4   1.979  -3.383  -2.918
   19    HD1  PHE   4           HD2      PHE   4   2.027  -5.837  -3.239
   20    HD2  PHE   4           HD1      PHE   4  -1.565  -3.747  -2.317
   21    HE1  PHE   4           HE2      PHE   4   0.711  -7.772  -3.997
   22    HE2  PHE   4           HE1      PHE   4  -2.887  -5.679  -3.073
   23    HZ   PHE   4           HZ       PHE   4  -1.750  -7.694  -3.916
   24    HA   PRO   5           HA       PRO   5   5.337  -2.122   0.434
   25    HB2  PRO   5           HB2      PRO   5   7.256  -3.562  -0.834
   26    HB3  PRO   5           HB1      PRO   5   6.491  -4.095   0.668
   27    HG2  PRO   5           HG2      PRO   5   5.910  -4.921  -2.150
   28    HG3  PRO   5           HG1      PRO   5   6.030  -5.923  -0.692
   29    HD2  PRO   5           HD2      PRO   5   3.654  -5.159  -1.745
   30    HD3  PRO   5           HD1      PRO   5   3.895  -5.393  -0.002
   31    H    MET   6           H        MET   6   4.467  -0.363  -0.952
   32    HA   MET   6           HA       MET   6   6.348   0.223  -3.076
   33    HB2  MET   6           HB2      MET   6   3.473  -0.354  -3.558
   34    HB3  MET   6           HB1      MET   6   4.173   1.005  -4.429
   35    HG2  MET   6           HG2      MET   6   5.917  -0.487  -5.310
   36    HG3  MET   6           HG1      MET   6   5.151  -1.840  -4.481
   37    HE1  MET   6           HE1      MET   6   3.700  -3.448  -6.910
   38    HE2  MET   6           HE2      MET   6   4.785  -2.606  -8.017
   39    HE3  MET   6           HE3      MET   6   5.334  -3.029  -6.394
   40    H    GLY   7           H        GLY   7   5.607   2.498  -4.068
   41    HA2  GLY   7           HA2      GLY   7   5.031   4.713  -3.691
   42    HA3  GLY   7           HA1      GLY   7   4.326   4.237  -2.154
   43    HA   PRO   8           HA       PRO   8   8.278   6.598  -1.395
   44    HB2  PRO   8           HB2      PRO   8   7.181   8.389   0.324
   45    HB3  PRO   8           HB1      PRO   8   7.212   8.633  -1.427
   46    HG2  PRO   8           HG2      PRO   8   4.983   7.641   0.309
   47    HG3  PRO   8           HG1      PRO   8   4.926   8.797  -1.035
   48    HD2  PRO   8           HD2      PRO   8   4.199   6.202  -1.312
   49    HD3  PRO   8           HD1      PRO   8   4.937   7.134  -2.631
   50    H    TRP   9           H        TRP   9   5.706   5.456   0.732
   51    HA   TRP   9           HA       TRP   9   7.556   5.194   2.966
   52    HB2  TRP   9           HB2      TRP   9   4.589   4.945   2.640
   53    HB3  TRP   9           HB1      TRP   9   5.372   4.196   4.029
   54    HD1  TRP   9           HD       TRP   9   5.658   7.715   2.381
   55    HE1  TRP   9           HE1      TRP   9   5.557   9.469   4.262
   56    HE3  TRP   9           HE3      TRP   9   5.142   4.579   6.386
   57    HZ2  TRP   9           HZ2      TRP   9   5.293   9.517   7.072
   58    HZ3  TRP   9           HZ3      TRP   9   4.973   5.560   8.637
   59    HH2  TRP   9           HH       TRP   9   5.048   7.977   8.970
   60    H    GLY  10           H        GLY  10   5.563   3.138   0.870
   61    HA2  GLY  10           HA2      GLY  10   6.610   1.049   0.104
   62    HA3  GLY  10           HA1      GLY  10   7.214   0.846   1.742
   63    HA   PRO  11           HA       PRO  11   3.744  -1.717   2.566
   64    HB2  PRO  11           HB2      PRO  11   3.677  -1.516   5.273
   65    HB3  PRO  11           HB1      PRO  11   4.906  -2.448   4.409
   66    HG2  PRO  11           HG2      PRO  11   5.080   0.312   5.556
   67    HG3  PRO  11           HG1      PRO  11   6.268  -1.002   5.619
   68    HD2  PRO  11           HD2      PRO  11   6.463   1.058   3.872
   69    HD3  PRO  11           HD1      PRO  11   7.035  -0.578   3.487
   70    H    PHE  12           H        PHE  12   2.301  -0.117   1.509
   71    HA   PHE  12           HA       PHE  12   0.706   1.392   3.471
   72    HB2  PHE  12           HB2      PHE  12   0.162   2.966   1.802
   73    HB3  PHE  12           HB1      PHE  12   1.877   2.647   1.567
   74    HD1  PHE  12           HD2      PHE  12  -1.493   2.117   0.227
   75    HD2  PHE  12           HD1      PHE  12   2.676   1.537  -0.400
   76    HE1  PHE  12           HE2      PHE  12  -1.931   1.533  -2.123
   77    HE2  PHE  12           HE1      PHE  12   2.245   0.953  -2.751
   78    HZ   PHE  12           HZ       PHE  12  -0.061   0.950  -3.615
   79    H    CYS  13           H        CYS  13  -1.505   1.161   3.508
   80    HA   CYS  13           HA       CYS  13  -2.551  -1.133   1.992
   81    HB2  CYS  13           HB2      CYS  13  -3.804   0.086   4.449
   82    HB3  CYS  13           HB1      CYS  13  -4.106  -1.501   3.750
   83    H    ILE  14           H        ILE  14  -4.524  -1.001   0.925
   84    HA   ILE  14           HA       ILE  14  -5.449   1.743   0.402
   85    HB   ILE  14           HB       ILE  14  -6.511   0.610  -1.662
   86   HG12  ILE  14          HG12      ILE  14  -4.379  -1.423  -0.969
   87   HG13  ILE  14          HG11      ILE  14  -6.116  -1.706  -0.915
   88   HG21  ILE  14          HG21      ILE  14  -4.899   1.718  -2.710
   89   HG22  ILE  14          HG22      ILE  14  -4.029   1.830  -1.181
   90   HG23  ILE  14          HG23      ILE  14  -3.716   0.485  -2.277
   91   HD11  ILE  14          HD11      ILE  14  -6.090  -1.076  -3.398
   92   HD12  ILE  14          HD12      ILE  14  -4.347  -1.322  -3.294
   93   HD13  ILE  14          HD13      ILE  14  -5.448  -2.649  -2.925
   94    HA   PRO  15           HA       PRO  15  -9.439   0.920   2.035
   95    HB2  PRO  15           HB2      PRO  15 -11.034   2.304   0.330
   96    HB3  PRO  15           HB1      PRO  15  -9.982   3.091   1.513
   97    HG2  PRO  15           HG2      PRO  15  -9.536   2.637  -1.413
   98    HG3  PRO  15           HG1      PRO  15  -9.207   4.084  -0.441
   99    HD2  PRO  15           HD2      PRO  15  -7.268   2.330  -1.143
  100    HD3  PRO  15           HD1      PRO  15  -7.229   3.235   0.384
  101    H    ASP  16           H        ASP  16  -8.907   0.257  -1.370
  102    HA   ASP  16           HA       ASP  16 -11.083  -1.728  -1.290
  103    HB2  ASP  16           HB2      ASP  16  -9.889  -0.595  -3.814
  104    HB3  ASP  16           HB1      ASP  16 -11.424  -1.436  -3.611
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.393  -2.233  -0.269
    2    HA2  GLY   1           HA2      GLY   1  -8.102  -4.874  -1.074
    3    HA3  GLY   1           HA1      GLY   1  -6.969  -3.939  -2.037
    4    HA   PRO   2           HA       PRO   2  -5.118  -5.120   2.130
    5    HB2  PRO   2           HB2      PRO   2  -3.106  -6.659   1.153
    6    HB3  PRO   2           HB1      PRO   2  -4.698  -7.307   1.561
    7    HG2  PRO   2           HG2      PRO   2  -3.595  -6.536  -1.113
    8    HG3  PRO   2           HG1      PRO   2  -4.554  -7.960  -0.666
    9    HD2  PRO   2           HD2      PRO   2  -5.639  -5.795  -1.879
   10    HD3  PRO   2           HD1      PRO   2  -6.542  -6.794  -0.723
   11    H    CYS   3           H        CYS   3  -2.396  -5.276   2.233
   12    HA   CYS   3           HA       CYS   3  -1.608  -2.615   1.284
   13    HB2  CYS   3           HB2      CYS   3   0.007  -4.203   3.242
   14    HB3  CYS   3           HB1      CYS   3  -0.174  -2.457   3.102
   15    H    PHE   4           H        PHE   4   0.421  -2.268   0.303
   16    HA   PHE   4           HA       PHE   4   1.874  -4.638  -0.612
   17    HB2  PHE   4           HB2      PHE   4   0.510  -2.612  -2.350
   18    HB3  PHE   4           HB1      PHE   4   1.984  -3.393  -2.913
   19    HD1  PHE   4           HD2      PHE   4   2.034  -5.832  -3.263
   20    HD2  PHE   4           HD1      PHE   4  -1.558  -3.774  -2.276
   21    HE1  PHE   4           HE2      PHE   4   0.720  -7.771  -4.017
   22    HE2  PHE   4           HE1      PHE   4  -2.878  -5.709  -3.027
   23    HZ   PHE   4           HZ       PHE   4  -1.739  -7.712  -3.899
   24    HA   PRO   5           HA       PRO   5   5.342  -2.122   0.432
   25    HB2  PRO   5           HB2      PRO   5   7.261  -3.561  -0.841
   26    HB3  PRO   5           HB1      PRO   5   6.500  -4.093   0.663
   27    HG2  PRO   5           HG2      PRO   5   5.914  -4.919  -2.154
   28    HG3  PRO   5           HG1      PRO   5   6.037  -5.922  -0.696
   29    HD2  PRO   5           HD2      PRO   5   3.659  -5.161  -1.744
   30    HD3  PRO   5           HD1      PRO   5   3.904  -5.396  -0.001
   31    H    MET   6           H        MET   6   4.469  -0.364  -0.950
   32    HA   MET   6           HA       MET   6   6.344   0.226  -3.079
   33    HB2  MET   6           HB2      MET   6   3.469  -0.354  -3.555
   34    HB3  MET   6           HB1      MET   6   4.166   1.005  -4.426
   35    HG2  MET   6           HG2      MET   6   5.899  -0.474  -5.327
   36    HG3  MET   6           HG1      MET   6   5.164  -1.833  -4.477
   37    HE1  MET   6           HE1      MET   6   4.155   0.718  -7.788
   38    HE2  MET   6           HE2      MET   6   5.701   0.006  -7.322
   39    HE3  MET   6           HE3      MET   6   4.704  -0.776  -8.550
   40    H    GLY   7           H        GLY   7   5.601   2.500  -4.067
   41    HA2  GLY   7           HA2      GLY   7   5.024   4.715  -3.689
   42    HA3  GLY   7           HA1      GLY   7   4.321   4.237  -2.150
   43    HA   PRO   8           HA       PRO   8   8.272   6.601  -1.396
   44    HB2  PRO   8           HB2      PRO   8   7.177   8.389   0.327
   45    HB3  PRO   8           HB1      PRO   8   7.205   8.635  -1.424
   46    HG2  PRO   8           HG2      PRO   8   4.980   7.638   0.314
   47    HG3  PRO   8           HG1      PRO   8   4.919   8.795  -1.028
   48    HD2  PRO   8           HD2      PRO   8   4.194   6.202  -1.307
   49    HD3  PRO   8           HD1      PRO   8   4.929   7.134  -2.626
   50    H    TRP   9           H        TRP   9   5.704   5.456   0.735
   51    HA   TRP   9           HA       TRP   9   7.560   5.193   2.966
   52    HB2  TRP   9           HB2      TRP   9   4.588   4.870   2.658
   53    HB3  TRP   9           HB1      TRP   9   5.417   4.238   4.078
   54    HD1  TRP   9           HD       TRP   9   5.858   7.651   2.271
   55    HE1  TRP   9           HE1      TRP   9   5.585   9.511   4.029
   56    HE3  TRP   9           HE3      TRP   9   4.759   4.763   6.345
   57    HZ2  TRP   9           HZ2      TRP   9   4.984   9.726   6.779
   58    HZ3  TRP   9           HZ3      TRP   9   4.349   5.874   8.502
   59    HH2  TRP   9           HH       TRP   9   4.461   8.304   8.712
   60    H    GLY  10           H        GLY  10   5.564   3.139   0.872
   61    HA2  GLY  10           HA2      GLY  10   6.610   1.050   0.102
   62    HA3  GLY  10           HA1      GLY  10   7.216   0.847   1.739
   63    HA   PRO  11           HA       PRO  11   3.748  -1.717   2.567
   64    HB2  PRO  11           HB2      PRO  11   3.684  -1.518   5.274
   65    HB3  PRO  11           HB1      PRO  11   4.912  -2.448   4.409
   66    HG2  PRO  11           HG2      PRO  11   5.085   0.311   5.556
   67    HG3  PRO  11           HG1      PRO  11   6.275  -1.002   5.617
   68    HD2  PRO  11           HD2      PRO  11   6.468   1.058   3.871
   69    HD3  PRO  11           HD1      PRO  11   7.040  -0.577   3.485
   70    H    PHE  12           H        PHE  12   2.305  -0.118   1.510
   71    HA   PHE  12           HA       PHE  12   0.710   1.390   3.474
   72    HB2  PHE  12           HB2      PHE  12   0.166   2.966   1.809
   73    HB3  PHE  12           HB1      PHE  12   1.880   2.646   1.568
   74    HD1  PHE  12           HD2      PHE  12  -1.493   2.124   0.234
   75    HD2  PHE  12           HD1      PHE  12   2.675   1.533  -0.399
   76    HE1  PHE  12           HE2      PHE  12  -1.936   1.542  -2.116
   77    HE2  PHE  12           HE1      PHE  12   2.239   0.952  -2.750
   78    HZ   PHE  12           HZ       PHE  12  -0.069   0.955  -3.611
   79    H    CYS  13           H        CYS  13  -1.504   1.164   3.503
   80    HA   CYS  13           HA       CYS  13  -2.549  -1.131   1.991
   81    HB2  CYS  13           HB2      CYS  13  -3.803   0.089   4.446
   82    HB3  CYS  13           HB1      CYS  13  -4.105  -1.499   3.748
   83    H    ILE  14           H        ILE  14  -4.526  -1.001   0.929
   84    HA   ILE  14           HA       ILE  14  -5.449   1.744   0.402
   85    HB   ILE  14           HB       ILE  14  -6.512   0.605  -1.662
   86   HG12  ILE  14          HG12      ILE  14  -4.368  -1.416  -0.967
   87   HG13  ILE  14          HG11      ILE  14  -6.103  -1.708  -0.915
   88   HG21  ILE  14          HG21      ILE  14  -3.722   0.494  -2.289
   89   HG22  ILE  14          HG22      ILE  14  -4.909   1.728  -2.705
   90   HG23  ILE  14          HG23      ILE  14  -4.029   1.831  -1.181
   91   HD11  ILE  14          HD11      ILE  14  -6.228  -1.330  -3.327
   92   HD12  ILE  14          HD12      ILE  14  -4.483  -1.069  -3.368
   93   HD13  ILE  14          HD13      ILE  14  -5.129  -2.647  -2.919
   94    HA   PRO  15           HA       PRO  15  -9.439   0.922   2.031
   95    HB2  PRO  15           HB2      PRO  15 -11.035   2.303   0.322
   96    HB3  PRO  15           HB1      PRO  15  -9.984   3.092   1.505
   97    HG2  PRO  15           HG2      PRO  15  -9.535   2.633  -1.420
   98    HG3  PRO  15           HG1      PRO  15  -9.208   4.082  -0.451
   99    HD2  PRO  15           HD2      PRO  15  -7.266   2.327  -1.147
  100    HD3  PRO  15           HD1      PRO  15  -7.230   3.236   0.377
  101    H    ASP  16           H        ASP  16  -8.911   0.261  -1.376
  102    HA   ASP  16           HA       ASP  16 -11.084  -1.730  -1.292
  103    HB2  ASP  16           HB2      ASP  16 -11.317   0.146  -2.961
  104    HB3  ASP  16           HB1      ASP  16  -9.885  -0.485  -3.770
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.385  -2.226  -0.278
    2    HA2  GLY   1           HA2      GLY   1  -8.099  -4.869  -1.086
    3    HA3  GLY   1           HA1      GLY   1  -6.965  -3.931  -2.046
    4    HA   PRO   2           HA       PRO   2  -5.119  -5.125   2.121
    5    HB2  PRO   2           HB2      PRO   2  -3.105  -6.661   1.140
    6    HB3  PRO   2           HB1      PRO   2  -4.698  -7.310   1.545
    7    HG2  PRO   2           HG2      PRO   2  -3.592  -6.530  -1.126
    8    HG3  PRO   2           HG1      PRO   2  -4.550  -7.955  -0.684
    9    HD2  PRO   2           HD2      PRO   2  -5.635  -5.787  -1.891
   10    HD3  PRO   2           HD1      PRO   2  -6.539  -6.791  -0.739
   11    H    CYS   3           H        CYS   3  -2.397  -5.282   2.226
   12    HA   CYS   3           HA       CYS   3  -1.608  -2.617   1.284
   13    HB2  CYS   3           HB2      CYS   3   0.004  -4.207   3.245
   14    HB3  CYS   3           HB1      CYS   3  -0.180  -2.460   3.107
   15    H    PHE   4           H        PHE   4   0.417  -2.268   0.301
   16    HA   PHE   4           HA       PHE   4   1.877  -4.636  -0.609
   17    HB2  PHE   4           HB2      PHE   4   0.515  -2.611  -2.350
   18    HB3  PHE   4           HB1      PHE   4   1.990  -3.392  -2.909
   19    HD1  PHE   4           HD2      PHE   4   2.041  -5.842  -3.234
   20    HD2  PHE   4           HD1      PHE   4  -1.555  -3.762  -2.303
   21    HE1  PHE   4           HE2      PHE   4   0.727  -7.781  -3.990
   22    HE2  PHE   4           HE1      PHE   4  -2.873  -5.697  -3.056
   23    HZ   PHE   4           HZ       PHE   4  -1.733  -7.710  -3.900
   24    HA   PRO   5           HA       PRO   5   5.339  -2.114   0.442
   25    HB2  PRO   5           HB2      PRO   5   7.263  -3.551  -0.824
   26    HB3  PRO   5           HB1      PRO   5   6.499  -4.083   0.677
   27    HG2  PRO   5           HG2      PRO   5   5.921  -4.913  -2.140
   28    HG3  PRO   5           HG1      PRO   5   6.042  -5.915  -0.682
   29    HD2  PRO   5           HD2      PRO   5   3.666  -5.156  -1.735
   30    HD3  PRO   5           HD1      PRO   5   3.906  -5.390   0.008
   31    H    MET   6           H        MET   6   4.447  -0.368  -0.956
   32    HA   MET   6           HA       MET   6   6.331   0.222  -3.080
   33    HB2  MET   6           HB2      MET   6   3.454  -0.353  -3.551
   34    HB3  MET   6           HB1      MET   6   4.150   1.005  -4.423
   35    HG2  MET   6           HG2      MET   6   5.279  -1.782  -4.452
   36    HG3  MET   6           HG1      MET   6   4.180  -1.138  -5.669
   37    HE1  MET   6           HE1      MET   6   4.682  -0.038  -7.539
   38    HE2  MET   6           HE2      MET   6   5.165   1.556  -6.961
   39    HE3  MET   6           HE3      MET   6   6.211   0.666  -8.069
   40    H    GLY   7           H        GLY   7   5.589   2.497  -4.070
   41    HA2  GLY   7           HA2      GLY   7   5.018   4.714  -3.691
   42    HA3  GLY   7           HA1      GLY   7   4.317   4.238  -2.152
   43    HA   PRO   8           HA       PRO   8   8.275   6.592  -1.405
   44    HB2  PRO   8           HB2      PRO   8   7.187   8.387   0.317
   45    HB3  PRO   8           HB1      PRO   8   7.213   8.630  -1.433
   46    HG2  PRO   8           HG2      PRO   8   4.988   7.641   0.308
   47    HG3  PRO   8           HG1      PRO   8   4.928   8.797  -1.036
   48    HD2  PRO   8           HD2      PRO   8   4.196   6.205  -1.311
   49    HD3  PRO   8           HD1      PRO   8   4.932   7.135  -2.632
   50    H    TRP   9           H        TRP   9   5.706   5.459   0.731
   51    HA   TRP   9           HA       TRP   9   7.561   5.196   2.961
   52    HB2  TRP   9           HB2      TRP   9   5.200   6.028   3.262
   53    HB3  TRP   9           HB1      TRP   9   4.645   4.404   2.864
   54    HD1  TRP   9           HD       TRP   9   4.715   2.606   4.756
   55    HE1  TRP   9           HE1      TRP   9   5.338   2.663   7.253
   56    HE3  TRP   9           HE3      TRP   9   6.885   7.230   4.945
   57    HZ2  TRP   9           HZ2      TRP   9   6.582   4.436   9.063
   58    HZ3  TRP   9           HZ3      TRP   9   7.766   8.033   7.097
   59    HH2  TRP   9           HH       TRP   9   7.616   6.664   9.112
   60    H    GLY  10           H        GLY  10   5.566   3.138   0.869
   61    HA2  GLY  10           HA2      GLY  10   6.612   1.050   0.101
   62    HA3  GLY  10           HA1      GLY  10   7.218   0.848   1.739
   63    HA   PRO  11           HA       PRO  11   3.752  -1.717   2.571
   64    HB2  PRO  11           HB2      PRO  11   3.690  -1.516   5.277
   65    HB3  PRO  11           HB1      PRO  11   4.918  -2.447   4.411
   66    HG2  PRO  11           HG2      PRO  11   5.092   0.313   5.558
   67    HG3  PRO  11           HG1      PRO  11   6.282  -1.001   5.617
   68    HD2  PRO  11           HD2      PRO  11   6.473   1.059   3.870
   69    HD3  PRO  11           HD1      PRO  11   7.044  -0.577   3.483
   70    H    PHE  12           H        PHE  12   2.303  -0.123   1.516
   71    HA   PHE  12           HA       PHE  12   0.710   1.385   3.483
   72    HB2  PHE  12           HB2      PHE  12   0.168   2.964   1.821
   73    HB3  PHE  12           HB1      PHE  12   1.882   2.644   1.579
   74    HD1  PHE  12           HD2      PHE  12  -1.493   2.129   0.247
   75    HD2  PHE  12           HD1      PHE  12   2.673   1.533  -0.393
   76    HE1  PHE  12           HE2      PHE  12  -1.939   1.554  -2.104
   77    HE2  PHE  12           HE1      PHE  12   2.234   0.958  -2.743
   78    HZ   PHE  12           HZ       PHE  12  -0.074   0.966  -3.602
   79    H    CYS  13           H        CYS  13  -1.504   1.160   3.509
   80    HA   CYS  13           HA       CYS  13  -2.548  -1.134   1.993
   81    HB2  CYS  13           HB2      CYS  13  -3.805   0.083   4.448
   82    HB3  CYS  13           HB1      CYS  13  -4.105  -1.504   3.748
   83    H    ILE  14           H        ILE  14  -4.527  -1.002   0.933
   84    HA   ILE  14           HA       ILE  14  -5.449   1.744   0.409
   85    HB   ILE  14           HB       ILE  14  -6.512   0.606  -1.656
   86   HG12  ILE  14          HG12      ILE  14  -4.361  -1.408  -0.964
   87   HG13  ILE  14          HG11      ILE  14  -6.096  -1.708  -0.917
   88   HG21  ILE  14          HG21      ILE  14  -4.900   1.684  -2.741
   89   HG22  ILE  14          HG22      ILE  14  -4.083   1.889  -1.193
   90   HG23  ILE  14          HG23      ILE  14  -3.688   0.513  -2.223
   91   HD11  ILE  14          HD11      ILE  14  -4.312  -1.330  -3.281
   92   HD12  ILE  14          HD12      ILE  14  -5.446  -2.634  -2.930
   93   HD13  ILE  14          HD13      ILE  14  -6.048  -1.046  -3.404
   94    HA   PRO  15           HA       PRO  15  -9.441   0.919   2.034
   95    HB2  PRO  15           HB2      PRO  15 -11.035   2.301   0.325
   96    HB3  PRO  15           HB1      PRO  15  -9.986   3.088   1.510
   97    HG2  PRO  15           HG2      PRO  15  -9.535   2.634  -1.414
   98    HG3  PRO  15           HG1      PRO  15  -9.209   4.082  -0.444
   99    HD2  PRO  15           HD2      PRO  15  -7.267   2.329  -1.141
  100    HD3  PRO  15           HD1      PRO  15  -7.231   3.235   0.386
  101    H    ASP  16           H        ASP  16  -8.913   0.265  -1.375
  102    HA   ASP  16           HA       ASP  16 -11.083  -1.728  -1.295
  103    HB2  ASP  16           HB2      ASP  16 -11.174   0.235  -2.979
  104    HB3  ASP  16           HB1      ASP  16  -9.900  -0.631  -3.834
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.387  -2.232  -0.274
    2    HA2  GLY   1           HA2      GLY   1  -8.089  -4.869  -1.095
    3    HA3  GLY   1           HA1      GLY   1  -6.958  -3.921  -2.048
    4    HA   PRO   2           HA       PRO   2  -5.117  -5.126   2.120
    5    HB2  PRO   2           HB2      PRO   2  -3.102  -6.660   1.140
    6    HB3  PRO   2           HB1      PRO   2  -4.696  -7.310   1.542
    7    HG2  PRO   2           HG2      PRO   2  -3.586  -6.528  -1.126
    8    HG3  PRO   2           HG1      PRO   2  -4.546  -7.953  -0.688
    9    HD2  PRO   2           HD2      PRO   2  -5.628  -5.784  -1.894
   10    HD3  PRO   2           HD1      PRO   2  -6.534  -6.789  -0.745
   11    H    CYS   3           H        CYS   3  -2.395  -5.283   2.226
   12    HA   CYS   3           HA       CYS   3  -1.605  -2.617   1.289
   13    HB2  CYS   3           HB2      CYS   3   0.002  -4.211   3.249
   14    HB3  CYS   3           HB1      CYS   3  -0.176  -2.464   3.112
   15    H    PHE   4           H        PHE   4   0.409  -2.267   0.294
   16    HA   PHE   4           HA       PHE   4   1.874  -4.634  -0.614
   17    HB2  PHE   4           HB2      PHE   4   0.512  -2.605  -2.352
   18    HB3  PHE   4           HB1      PHE   4   1.987  -3.388  -2.912
   19    HD1  PHE   4           HD2      PHE   4   2.036  -5.844  -3.223
   20    HD2  PHE   4           HD1      PHE   4  -1.558  -3.749  -2.321
   21    HE1  PHE   4           HE2      PHE   4   0.721  -7.781  -3.981
   22    HE2  PHE   4           HE1      PHE   4  -2.878  -5.683  -3.077
   23    HZ   PHE   4           HZ       PHE   4  -1.739  -7.701  -3.910
   24    HA   PRO   5           HA       PRO   5   5.335  -2.115   0.443
   25    HB2  PRO   5           HB2      PRO   5   7.261  -3.553  -0.822
   26    HB3  PRO   5           HB1      PRO   5   6.494  -4.085   0.679
   27    HG2  PRO   5           HG2      PRO   5   5.918  -4.914  -2.139
   28    HG3  PRO   5           HG1      PRO   5   6.037  -5.915  -0.681
   29    HD2  PRO   5           HD2      PRO   5   3.662  -5.156  -1.737
   30    HD3  PRO   5           HD1      PRO   5   3.902  -5.389   0.007
   31    H    MET   6           H        MET   6   4.446  -0.369  -0.956
   32    HA   MET   6           HA       MET   6   6.333   0.220  -3.078
   33    HB2  MET   6           HB2      MET   6   3.456  -0.353  -3.552
   34    HB3  MET   6           HB1      MET   6   4.154   1.006  -4.424
   35    HG2  MET   6           HG2      MET   6   5.283  -1.782  -4.451
   36    HG3  MET   6           HG1      MET   6   4.185  -1.139  -5.670
   37    HE1  MET   6           HE1      MET   6   7.164  -0.899  -7.969
   38    HE2  MET   6           HE2      MET   6   6.230  -2.160  -7.164
   39    HE3  MET   6           HE3      MET   6   5.403  -0.806  -7.936
   40    H    GLY   7           H        GLY   7   5.590   2.496  -4.070
   41    HA2  GLY   7           HA2      GLY   7   5.021   4.713  -3.691
   42    HA3  GLY   7           HA1      GLY   7   4.319   4.237  -2.152
   43    HA   PRO   8           HA       PRO   8   8.276   6.593  -1.404
   44    HB2  PRO   8           HB2      PRO   8   7.187   8.386   0.318
   45    HB3  PRO   8           HB1      PRO   8   7.213   8.629  -1.432
   46    HG2  PRO   8           HG2      PRO   8   4.988   7.640   0.308
   47    HG3  PRO   8           HG1      PRO   8   4.928   8.796  -1.036
   48    HD2  PRO   8           HD2      PRO   8   4.197   6.204  -1.311
   49    HD3  PRO   8           HD1      PRO   8   4.933   7.133  -2.632
   50    H    TRP   9           H        TRP   9   5.707   5.457   0.732
   51    HA   TRP   9           HA       TRP   9   7.562   5.195   2.960
   52    HB2  TRP   9           HB2      TRP   9   4.598   4.990   2.634
   53    HB3  TRP   9           HB1      TRP   9   5.356   4.173   3.998
   54    HD1  TRP   9           HD       TRP   9   4.722   7.686   2.594
   55    HE1  TRP   9           HE1      TRP   9   5.046   9.395   4.492
   56    HE3  TRP   9           HE3      TRP   9   6.525   4.552   6.207
   57    HZ2  TRP   9           HZ2      TRP   9   5.948   9.410   7.167
   58    HZ3  TRP   9           HZ3      TRP   9   7.096   5.493   8.408
   59    HH2  TRP   9           HH       TRP   9   6.813   7.872   8.876
   60    H    GLY  10           H        GLY  10   5.566   3.138   0.869
   61    HA2  GLY  10           HA2      GLY  10   6.610   1.049   0.101
   62    HA3  GLY  10           HA1      GLY  10   7.218   0.847   1.738
   63    HA   PRO  11           HA       PRO  11   3.749  -1.716   2.571
   64    HB2  PRO  11           HB2      PRO  11   3.687  -1.514   5.277
   65    HB3  PRO  11           HB1      PRO  11   4.915  -2.445   4.413
   66    HG2  PRO  11           HG2      PRO  11   5.089   0.315   5.558
   67    HG3  PRO  11           HG1      PRO  11   6.279  -0.999   5.618
   68    HD2  PRO  11           HD2      PRO  11   6.470   1.060   3.870
   69    HD3  PRO  11           HD1      PRO  11   7.041  -0.577   3.484
   70    H    PHE  12           H        PHE  12   2.301  -0.124   1.516
   71    HA   PHE  12           HA       PHE  12   0.707   1.386   3.480
   72    HB2  PHE  12           HB2      PHE  12   0.166   2.966   1.818
   73    HB3  PHE  12           HB1      PHE  12   1.880   2.645   1.577
   74    HD1  PHE  12           HD2      PHE  12  -1.493   2.129   0.243
   75    HD2  PHE  12           HD1      PHE  12   2.673   1.533  -0.394
   76    HE1  PHE  12           HE2      PHE  12  -1.939   1.552  -2.107
   77    HE2  PHE  12           HE1      PHE  12   2.235   0.957  -2.745
   78    HZ   PHE  12           HZ       PHE  12  -0.073   0.966  -3.605
   79    H    CYS  13           H        CYS  13  -1.505   1.158   3.511
   80    HA   CYS  13           HA       CYS  13  -2.549  -1.134   1.992
   81    HB2  CYS  13           HB2      CYS  13  -3.806   0.082   4.449
   82    HB3  CYS  13           HB1      CYS  13  -4.105  -1.506   3.747
   83    H    ILE  14           H        ILE  14  -4.528  -1.002   0.933
   84    HA   ILE  14           HA       ILE  14  -5.451   1.744   0.410
   85    HB   ILE  14           HB       ILE  14  -6.513   0.609  -1.656
   86   HG12  ILE  14          HG12      ILE  14  -4.369  -1.412  -0.963
   87   HG13  ILE  14          HG11      ILE  14  -6.104  -1.706  -0.919
   88   HG21  ILE  14          HG21      ILE  14  -4.918   1.768  -2.670
   89   HG22  ILE  14          HG22      ILE  14  -4.005   1.808  -1.163
   90   HG23  ILE  14          HG23      ILE  14  -3.743   0.501  -2.317
   91   HD11  ILE  14          HD11      ILE  14  -6.118  -1.132  -3.382
   92   HD12  ILE  14          HD12      ILE  14  -4.358  -1.235  -3.309
   93   HD13  ILE  14          HD13      ILE  14  -5.342  -2.647  -2.923
   94    HA   PRO  15           HA       PRO  15  -9.443   0.917   2.035
   95    HB2  PRO  15           HB2      PRO  15 -11.037   2.301   0.328
   96    HB3  PRO  15           HB1      PRO  15  -9.987   3.087   1.514
   97    HG2  PRO  15           HG2      PRO  15  -9.536   2.636  -1.412
   98    HG3  PRO  15           HG1      PRO  15  -9.210   4.082  -0.440
   99    HD2  PRO  15           HD2      PRO  15  -7.268   2.330  -1.139
  100    HD3  PRO  15           HD1      PRO  15  -7.233   3.236   0.388
  101    H    ASP  16           H        ASP  16  -8.912   0.263  -1.373
  102    HA   ASP  16           HA       ASP  16 -11.083  -1.728  -1.295
  103    HB2  ASP  16           HB2      ASP  16 -10.975  -1.547  -3.832
  104    HB3  ASP  16           HB1      ASP  16 -11.623  -0.148  -2.979
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.308  -2.164  -0.338
    2    HA2  GLY   1           HA2      GLY   1  -8.088  -4.864  -1.108
    3    HA3  GLY   1           HA1      GLY   1  -6.955  -3.913  -2.059
    4    HA   PRO   2           HA       PRO   2  -5.116  -5.134   2.104
    5    HB2  PRO   2           HB2      PRO   2  -3.100  -6.662   1.120
    6    HB3  PRO   2           HB1      PRO   2  -4.694  -7.315   1.517
    7    HG2  PRO   2           HG2      PRO   2  -3.583  -6.519  -1.146
    8    HG3  PRO   2           HG1      PRO   2  -4.541  -7.948  -0.715
    9    HD2  PRO   2           HD2      PRO   2  -5.624  -5.773  -1.912
   10    HD3  PRO   2           HD1      PRO   2  -6.531  -6.784  -0.767
   11    H    CYS   3           H        CYS   3  -2.394  -5.289   2.213
   12    HA   CYS   3           HA       CYS   3  -1.605  -2.620   1.287
   13    HB2  CYS   3           HB2      CYS   3  -0.003  -4.219   3.247
   14    HB3  CYS   3           HB1      CYS   3  -0.177  -2.472   3.112
   15    H    PHE   4           H        PHE   4   0.406  -2.264   0.291
   16    HA   PHE   4           HA       PHE   4   1.875  -4.628  -0.620
   17    HB2  PHE   4           HB2      PHE   4   0.516  -2.592  -2.352
   18    HB3  PHE   4           HB1      PHE   4   1.992  -3.371  -2.913
   19    HD1  PHE   4           HD2      PHE   4   2.043  -5.835  -3.216
   20    HD2  PHE   4           HD1      PHE   4  -1.553  -3.728  -2.350
   21    HE1  PHE   4           HE2      PHE   4   0.729  -7.768  -3.984
   22    HE2  PHE   4           HE1      PHE   4  -2.873  -5.659  -3.116
   23    HZ   PHE   4           HZ       PHE   4  -1.732  -7.682  -3.936
   24    HA   PRO   5           HA       PRO   5   5.332  -2.111   0.459
   25    HB2  PRO   5           HB2      PRO   5   7.261  -3.550  -0.797
   26    HB3  PRO   5           HB1      PRO   5   6.487  -4.082   0.700
   27    HG2  PRO   5           HG2      PRO   5   5.924  -4.910  -2.121
   28    HG3  PRO   5           HG1      PRO   5   6.036  -5.912  -0.662
   29    HD2  PRO   5           HD2      PRO   5   3.667  -5.150  -1.729
   30    HD3  PRO   5           HD1      PRO   5   3.897  -5.384   0.015
   31    H    MET   6           H        MET   6   4.417  -0.382  -0.969
   32    HA   MET   6           HA       MET   6   6.324   0.210  -3.077
   33    HB2  MET   6           HB2      MET   6   3.447  -0.356  -3.555
   34    HB3  MET   6           HB1      MET   6   4.149   1.001  -4.426
   35    HG2  MET   6           HG2      MET   6   5.354  -1.750  -4.440
   36    HG3  MET   6           HG1      MET   6   4.152  -1.218  -5.614
   37    HE1  MET   6           HE1      MET   6   6.579  -1.406  -7.940
   38    HE2  MET   6           HE2      MET   6   4.868  -1.253  -7.538
   39    HE3  MET   6           HE3      MET   6   5.730   0.107  -8.258
   40    H    GLY   7           H        GLY   7   5.577   2.487  -4.074
   41    HA2  GLY   7           HA2      GLY   7   5.015   4.705  -3.697
   42    HA3  GLY   7           HA1      GLY   7   4.313   4.233  -2.157
   43    HA   PRO   8           HA       PRO   8   8.276   6.579  -1.413
   44    HB2  PRO   8           HB2      PRO   8   7.189   8.382   0.302
   45    HB3  PRO   8           HB1      PRO   8   7.220   8.620  -1.450
   46    HG2  PRO   8           HG2      PRO   8   4.989   7.644   0.292
   47    HG3  PRO   8           HG1      PRO   8   4.935   8.796  -1.056
   48    HD2  PRO   8           HD2      PRO   8   4.195   6.205  -1.323
   49    HD3  PRO   8           HD1      PRO   8   4.937   7.127  -2.647
   50    H    TRP   9           H        TRP   9   5.698   5.465   0.725
   51    HA   TRP   9           HA       TRP   9   7.546   5.206   2.960
   52    HB2  TRP   9           HB2      TRP   9   4.579   4.935   2.629
   53    HB3  TRP   9           HB1      TRP   9   5.369   4.214   4.030
   54    HD1  TRP   9           HD       TRP   9   4.036   7.458   2.759
   55    HE1  TRP   9           HE1      TRP   9   4.532   9.336   4.448
   56    HE3  TRP   9           HE3      TRP   9   7.328   4.980   5.786
   57    HZ2  TRP   9           HZ2      TRP   9   6.109   9.717   6.757
   58    HZ3  TRP   9           HZ3      TRP   9   8.285   6.173   7.714
   59    HH2  TRP   9           HH       TRP   9   7.687   8.493   8.187
   60    H    GLY  10           H        GLY  10   5.564   3.138   0.866
   61    HA2  GLY  10           HA2      GLY  10   6.615   1.049   0.109
   62    HA3  GLY  10           HA1      GLY  10   7.219   0.854   1.748
   63    HA   PRO  11           HA       PRO  11   3.757  -1.719   2.575
   64    HB2  PRO  11           HB2      PRO  11   3.695  -1.519   5.283
   65    HB3  PRO  11           HB1      PRO  11   4.924  -2.448   4.415
   66    HG2  PRO  11           HG2      PRO  11   5.094   0.312   5.564
   67    HG3  PRO  11           HG1      PRO  11   6.286  -1.000   5.623
   68    HD2  PRO  11           HD2      PRO  11   6.474   1.061   3.876
   69    HD3  PRO  11           HD1      PRO  11   7.047  -0.575   3.490
   70    H    PHE  12           H        PHE  12   2.311  -0.120   1.520
   71    HA   PHE  12           HA       PHE  12   0.714   1.383   3.488
   72    HB2  PHE  12           HB2      PHE  12   0.171   2.964   1.828
   73    HB3  PHE  12           HB1      PHE  12   1.885   2.643   1.583
   74    HD1  PHE  12           HD2      PHE  12  -1.490   2.133   0.254
   75    HD2  PHE  12           HD1      PHE  12   2.674   1.529  -0.388
   76    HE1  PHE  12           HE2      PHE  12  -1.940   1.560  -2.097
   77    HE2  PHE  12           HE1      PHE  12   2.232   0.955  -2.740
   78    HZ   PHE  12           HZ       PHE  12  -0.077   0.969  -3.597
   79    H    CYS  13           H        CYS  13  -1.502   1.162   3.508
   80    HA   CYS  13           HA       CYS  13  -2.543  -1.133   1.991
   81    HB2  CYS  13           HB2      CYS  13  -3.801   0.077   4.450
   82    HB3  CYS  13           HB1      CYS  13  -4.097  -1.510   3.746
   83    H    ILE  14           H        ILE  14  -4.525  -1.002   0.935
   84    HA   ILE  14           HA       ILE  14  -5.450   1.745   0.417
   85    HB   ILE  14           HB       ILE  14  -6.512   0.612  -1.651
   86   HG12  ILE  14          HG12      ILE  14  -4.364  -1.405  -0.962
   87   HG13  ILE  14          HG11      ILE  14  -6.098  -1.703  -0.918
   88   HG21  ILE  14          HG21      ILE  14  -4.911   1.736  -2.699
   89   HG22  ILE  14          HG22      ILE  14  -4.043   1.854  -1.169
   90   HG23  ILE  14          HG23      ILE  14  -3.715   0.514  -2.267
   91   HD11  ILE  14          HD11      ILE  14  -5.027  -2.611  -2.926
   92   HD12  ILE  14          HD12      ILE  14  -6.243  -1.391  -3.307
   93   HD13  ILE  14          HD13      ILE  14  -4.529  -0.982  -3.381
   94    HA   PRO  15           HA       PRO  15  -9.440   0.911   2.043
   95    HB2  PRO  15           HB2      PRO  15 -11.036   2.298   0.340
   96    HB3  PRO  15           HB1      PRO  15  -9.986   3.083   1.527
   97    HG2  PRO  15           HG2      PRO  15  -9.537   2.638  -1.399
   98    HG3  PRO  15           HG1      PRO  15  -9.212   4.083  -0.424
   99    HD2  PRO  15           HD2      PRO  15  -7.268   2.334  -1.129
  100    HD3  PRO  15           HD1      PRO  15  -7.233   3.235   0.400
  101    H    ASP  16           H        ASP  16  -8.914   0.269  -1.369
  102    HA   ASP  16           HA       ASP  16 -11.080  -1.727  -1.292
  103    HB2  ASP  16           HB2      ASP  16 -11.052   0.294  -2.992
  104    HB3  ASP  16           HB1      ASP  16  -9.938  -0.746  -3.874
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -8.306  -2.184  -0.363
    2    HA2  GLY   1           HA2      GLY   1  -8.023  -4.826  -1.152
    3    HA3  GLY   1           HA1      GLY   1  -6.848  -3.912  -2.086
    4    HA   PRO   2           HA       PRO   2  -5.136  -5.104   2.137
    5    HB2  PRO   2           HB2      PRO   2  -3.112  -6.666   1.221
    6    HB3  PRO   2           HB1      PRO   2  -4.724  -7.295   1.583
    7    HG2  PRO   2           HG2      PRO   2  -3.534  -6.540  -1.059
    8    HG3  PRO   2           HG1      PRO   2  -4.521  -7.953  -0.639
    9    HD2  PRO   2           HD2      PRO   2  -5.545  -5.778  -1.886
   10    HD3  PRO   2           HD1      PRO   2  -6.493  -6.766  -0.756
   11    H    CYS   3           H        CYS   3  -2.422  -5.287   2.323
   12    HA   CYS   3           HA       CYS   3  -1.578  -2.634   1.407
   13    HB2  CYS   3           HB2      CYS   3  -0.010  -4.245   3.379
   14    HB3  CYS   3           HB1      CYS   3  -0.201  -2.498   3.263
   15    H    PHE   4           H        PHE   4   0.383  -2.296   0.362
   16    HA   PHE   4           HA       PHE   4   1.913  -4.652  -0.457
   17    HB2  PHE   4           HB2      PHE   4   0.489  -2.743  -2.280
   18    HB3  PHE   4           HB1      PHE   4   1.973  -3.526  -2.812
   19    HD1  PHE   4           HD2      PHE   4   2.065  -6.000  -2.981
   20    HD2  PHE   4           HD1      PHE   4  -1.561  -3.914  -2.192
   21    HE1  PHE   4           HE2      PHE   4   0.780  -7.995  -3.630
   22    HE2  PHE   4           HE1      PHE   4  -2.851  -5.907  -2.838
   23    HZ   PHE   4           HZ       PHE   4  -1.682  -7.950  -3.559
   24    HA   PRO   5           HA       PRO   5   5.313  -1.993   0.427
   25    HB2  PRO   5           HB2      PRO   5   7.255  -3.376  -0.872
   26    HB3  PRO   5           HB1      PRO   5   6.553  -3.914   0.659
   27    HG2  PRO   5           HG2      PRO   5   5.930  -4.807  -2.130
   28    HG3  PRO   5           HG1      PRO   5   6.128  -5.781  -0.662
   29    HD2  PRO   5           HD2      PRO   5   3.697  -5.129  -1.660
   30    HD3  PRO   5           HD1      PRO   5   3.994  -5.326   0.079
   31    H    MET   6           H        MET   6   4.256  -0.340  -1.013
   32    HA   MET   6           HA       MET   6   6.045   0.231  -3.250
   33    HB2  MET   6           HB2      MET   6   3.074  -0.105  -3.436
   34    HB3  MET   6           HB1      MET   6   3.883   1.052  -4.484
   35    HG2  MET   6           HG2      MET   6   5.092  -0.602  -5.585
   36    HG3  MET   6           HG1      MET   6   4.820  -1.782  -4.306
   37    HE1  MET   6           HE1      MET   6   4.040  -2.607  -7.632
   38    HE2  MET   6           HE2      MET   6   4.527  -3.359  -6.113
   39    HE3  MET   6           HE3      MET   6   2.961  -3.744  -6.825
   40    H    GLY   7           H        GLY   7   5.270   2.529  -4.181
   41    HA2  GLY   7           HA2      GLY   7   4.921   4.773  -3.774
   42    HA3  GLY   7           HA1      GLY   7   4.188   4.333  -2.238
   43    HA   PRO   8           HA       PRO   8   8.252   6.462  -1.442
   44    HB2  PRO   8           HB2      PRO   8   7.254   8.246   0.343
   45    HB3  PRO   8           HB1      PRO   8   7.278   8.542  -1.399
   46    HG2  PRO   8           HG2      PRO   8   5.026   7.595   0.331
   47    HG3  PRO   8           HG1      PRO   8   5.005   8.793  -0.977
   48    HD2  PRO   8           HD2      PRO   8   4.162   6.244  -1.324
   49    HD3  PRO   8           HD1      PRO   8   4.927   7.182  -2.622
   50    H    TRP   9           H        TRP   9   5.640   5.657   0.834
   51    HA   TRP   9           HA       TRP   9   7.470   5.198   3.005
   52    HB2  TRP   9           HB2      TRP   9   4.949   5.936   3.064
   53    HB3  TRP   9           HB1      TRP   9   4.645   4.200   3.018
   54    HD1  TRP   9           HD       TRP   9   5.560   2.752   5.137
   55    HE1  TRP   9           HE1      TRP   9   5.958   3.445   7.584
   56    HE3  TRP   9           HE3      TRP   9   5.659   7.828   4.536
   57    HZ2  TRP   9           HZ2      TRP   9   6.273   5.829   9.063
   58    HZ3  TRP   9           HZ3      TRP   9   6.013   9.243   6.518
   59    HH2  TRP   9           HH       TRP   9   6.313   8.262   8.733
   60    H    GLY  10           H        GLY  10   5.523   3.172   0.838
   61    HA2  GLY  10           HA2      GLY  10   6.564   1.102   0.041
   62    HA3  GLY  10           HA1      GLY  10   7.196   0.881   1.666
   63    HA   PRO  11           HA       PRO  11   3.770  -1.770   2.431
   64    HB2  PRO  11           HB2      PRO  11   3.841  -1.762   5.145
   65    HB3  PRO  11           HB1      PRO  11   5.019  -2.632   4.156
   66    HG2  PRO  11           HG2      PRO  11   5.267   0.038   5.486
   67    HG3  PRO  11           HG1      PRO  11   6.450  -1.280   5.394
   68    HD2  PRO  11           HD2      PRO  11   6.568   0.898   3.790
   69    HD3  PRO  11           HD1      PRO  11   7.110  -0.707   3.261
   70    H    PHE  12           H        PHE  12   2.230  -0.184   1.578
   71    HA   PHE  12           HA       PHE  12   0.740   1.179   3.725
   72    HB2  PHE  12           HB2      PHE  12   0.095   2.887   2.189
   73    HB3  PHE  12           HB1      PHE  12   1.833   2.677   2.008
   74    HD1  PHE  12           HD2      PHE  12  -1.444   1.962   0.481
   75    HD2  PHE  12           HD1      PHE  12   2.780   1.979  -0.043
   76    HE1  PHE  12           HE2      PHE  12  -1.745   1.602  -1.935
   77    HE2  PHE  12           HE1      PHE  12   2.485   1.621  -2.460
   78    HZ   PHE  12           HZ       PHE  12   0.221   1.432  -3.408
   79    H    CYS  13           H        CYS  13  -1.487   0.994   3.760
   80    HA   CYS  13           HA       CYS  13  -2.561  -1.210   2.149
   81    HB2  CYS  13           HB2      CYS  13  -3.855   0.029   4.575
   82    HB3  CYS  13           HB1      CYS  13  -4.186  -1.542   3.853
   83    H    ILE  14           H        ILE  14  -4.471  -1.018   0.996
   84    HA   ILE  14           HA       ILE  14  -5.330   1.751   0.484
   85    HB   ILE  14           HB       ILE  14  -6.331   0.642  -1.640
   86   HG12  ILE  14          HG12      ILE  14  -4.188  -1.365  -0.905
   87   HG13  ILE  14          HG11      ILE  14  -5.919  -1.679  -0.914
   88   HG21  ILE  14          HG21      ILE  14  -4.694   1.765  -2.635
   89   HG22  ILE  14          HG22      ILE  14  -3.919   1.924  -1.060
   90   HG23  ILE  14          HG23      ILE  14  -3.496   0.579  -2.119
   91   HD11  ILE  14          HD11      ILE  14  -5.245  -2.564  -2.925
   92   HD12  ILE  14          HD12      ILE  14  -5.770  -0.948  -3.398
   93   HD13  ILE  14          HD13      ILE  14  -4.052  -1.296  -3.205
   94    HA   PRO  15           HA       PRO  15  -9.403   0.966   1.915
   95    HB2  PRO  15           HB2      PRO  15 -10.902   2.386   0.153
   96    HB3  PRO  15           HB1      PRO  15  -9.896   3.148   1.389
   97    HG2  PRO  15           HG2      PRO  15  -9.322   2.714  -1.516
   98    HG3  PRO  15           HG1      PRO  15  -9.021   4.149  -0.518
   99    HD2  PRO  15           HD2      PRO  15  -7.073   2.377  -1.147
  100    HD3  PRO  15           HD1      PRO  15  -7.092   3.268   0.388
  101    H    ASP  16           H        ASP  16  -8.731   0.333  -1.471
  102    HA   ASP  16           HA       ASP  16 -10.931  -1.626  -1.508
  103    HB2  ASP  16           HB2      ASP  16  -9.623  -0.586  -4.000
  104    HB3  ASP  16           HB1      ASP  16 -11.238  -1.258  -3.792
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.384  -2.207  -0.296
    2    HA2  GLY   1           HA2      GLY   1  -8.120  -4.868  -1.135
    3    HA3  GLY   1           HA1      GLY   1  -7.001  -3.894  -2.078
    4    HA   PRO   2           HA       PRO   2  -5.134  -5.163   2.062
    5    HB2  PRO   2           HB2      PRO   2  -3.127  -6.684   1.049
    6    HB3  PRO   2           HB1      PRO   2  -4.718  -7.339   1.453
    7    HG2  PRO   2           HG2      PRO   2  -3.624  -6.522  -1.212
    8    HG3  PRO   2           HG1      PRO   2  -4.582  -7.953  -0.787
    9    HD2  PRO   2           HD2      PRO   2  -5.671  -5.767  -1.957
   10    HD3  PRO   2           HD1      PRO   2  -6.570  -6.787  -0.815
   11    H    CYS   3           H        CYS   3  -2.413  -5.321   2.152
   12    HA   CYS   3           HA       CYS   3  -1.628  -2.642   1.247
   13    HB2  CYS   3           HB2      CYS   3  -0.023  -4.280   3.178
   14    HB3  CYS   3           HB1      CYS   3  -0.166  -2.529   3.054
   15    H    PHE   4           H        PHE   4   0.427  -2.281   0.300
   16    HA   PHE   4           HA       PHE   4   1.841  -4.642  -0.699
   17    HB2  PHE   4           HB2      PHE   4   0.527  -2.520  -2.356
   18    HB3  PHE   4           HB1      PHE   4   1.995  -3.295  -2.943
   19    HD1  PHE   4           HD2      PHE   4   2.015  -5.707  -3.424
   20    HD2  PHE   4           HD1      PHE   4  -1.556  -3.665  -2.328
   21    HE1  PHE   4           HE2      PHE   4   0.680  -7.590  -4.275
   22    HE2  PHE   4           HE1      PHE   4  -2.897  -5.547  -3.176
   23    HZ   PHE   4           HZ       PHE   4  -1.778  -7.512  -4.152
   24    HA   PRO   5           HA       PRO   5   5.352  -2.246   0.479
   25    HB2  PRO   5           HB2      PRO   5   7.252  -3.680  -0.826
   26    HB3  PRO   5           HB1      PRO   5   6.462  -4.251   0.648
   27    HG2  PRO   5           HG2      PRO   5   5.889  -4.958  -2.204
   28    HG3  PRO   5           HG1      PRO   5   5.974  -6.016  -0.783
   29    HD2  PRO   5           HD2      PRO   5   3.625  -5.163  -1.826
   30    HD3  PRO   5           HD1      PRO   5   3.845  -5.467  -0.090
   31    H    MET   6           H        MET   6   4.467  -0.450  -0.892
   32    HA   MET   6           HA       MET   6   6.423   0.245  -2.902
   33    HB2  MET   6           HB2      MET   6   3.610  -0.436  -3.575
   34    HB3  MET   6           HB1      MET   6   4.309   0.964  -4.377
   35    HG2  MET   6           HG2      MET   6   6.238  -0.555  -5.017
   36    HG3  MET   6           HG1      MET   6   5.216  -1.891  -4.492
   37    HE1  MET   6           HE1      MET   6   4.945   0.495  -8.349
   38    HE2  MET   6           HE2      MET   6   5.359   1.263  -6.816
   39    HE3  MET   6           HE3      MET   6   6.387  -0.014  -7.468
   40    H    GLY   7           H        GLY   7   5.596   2.502  -3.915
   41    HA2  GLY   7           HA2      GLY   7   4.767   4.655  -3.513
   42    HA3  GLY   7           HA1      GLY   7   4.239   4.129  -1.922
   43    HA   PRO   8           HA       PRO   8   8.048   6.805  -1.527
   44    HB2  PRO   8           HB2      PRO   8   6.956   8.564   0.228
   45    HB3  PRO   8           HB1      PRO   8   6.842   8.760  -1.524
   46    HG2  PRO   8           HG2      PRO   8   4.822   7.665   0.395
   47    HG3  PRO   8           HG1      PRO   8   4.584   8.775  -0.967
   48    HD2  PRO   8           HD2      PRO   8   4.025   6.131  -1.129
   49    HD3  PRO   8           HD1      PRO   8   4.597   7.073  -2.521
   50    H    TRP   9           H        TRP   9   5.886   5.124   0.576
   51    HA   TRP   9           HA       TRP   9   7.924   5.111   2.703
   52    HB2  TRP   9           HB2      TRP   9   5.754   4.104   3.948
   53    HB3  TRP   9           HB1      TRP   9   6.124   5.825   3.893
   54    HD1  TRP   9           HD       TRP   9   3.997   3.252   1.916
   55    HE1  TRP   9           HE1      TRP   9   1.915   4.471   1.020
   56    HE3  TRP   9           HE3      TRP   9   5.090   7.992   3.490
   57    HZ2  TRP   9           HZ2      TRP   9   0.873   7.094   0.985
   58    HZ3  TRP   9           HZ3      TRP   9   3.499   9.798   2.984
   59    HH2  TRP   9           HH       TRP   9   1.435   9.358   1.757
   60    H    GLY  10           H        GLY  10   5.655   3.083   0.888
   61    HA2  GLY  10           HA2      GLY  10   6.603   0.956   0.054
   62    HA3  GLY  10           HA1      GLY  10   7.300   0.749   1.654
   63    HA   PRO  11           HA       PRO  11   3.799  -1.613   2.834
   64    HB2  PRO  11           HB2      PRO  11   3.744  -1.129   5.505
   65    HB3  PRO  11           HB1      PRO  11   4.966  -2.152   4.739
   66    HG2  PRO  11           HG2      PRO  11   5.156   0.711   5.591
   67    HG3  PRO  11           HG1      PRO  11   6.338  -0.594   5.787
   68    HD2  PRO  11           HD2      PRO  11   6.537   1.270   3.832
   69    HD3  PRO  11           HD1      PRO  11   7.099  -0.400   3.619
   70    H    PHE  12           H        PHE  12   2.257  -0.282   1.674
   71    HA   PHE  12           HA       PHE  12   0.670   1.423   3.477
   72    HB2  PHE  12           HB2      PHE  12   0.221   2.949   1.759
   73    HB3  PHE  12           HB1      PHE  12   1.923   2.562   1.521
   74    HD1  PHE  12           HD2      PHE  12  -1.466   2.170   0.210
   75    HD2  PHE  12           HD1      PHE  12   2.653   1.275  -0.385
   76    HE1  PHE  12           HE2      PHE  12  -1.948   1.512  -2.112
   77    HE2  PHE  12           HE1      PHE  12   2.178   0.617  -2.708
   78    HZ   PHE  12           HZ       PHE  12  -0.125   0.735  -3.574
   79    H    CYS  13           H        CYS  13  -1.547   1.200   3.431
   80    HA   CYS  13           HA       CYS  13  -2.545  -1.127   1.926
   81    HB2  CYS  13           HB2      CYS  13  -3.816   0.041   4.399
   82    HB3  CYS  13           HB1      CYS  13  -4.098  -1.540   3.675
   83    H    ILE  14           H        ILE  14  -4.527  -1.004   0.868
   84    HA   ILE  14           HA       ILE  14  -5.465   1.737   0.362
   85    HB   ILE  14           HB       ILE  14  -6.543   0.627  -1.693
   86   HG12  ILE  14          HG12      ILE  14  -4.464  -1.465  -1.017
   87   HG13  ILE  14          HG11      ILE  14  -6.206  -1.698  -0.934
   88   HG21  ILE  14          HG21      ILE  14  -3.695   0.430  -2.208
   89   HG22  ILE  14          HG22      ILE  14  -4.879   1.579  -2.828
   90   HG23  ILE  14          HG23      ILE  14  -4.109   1.862  -1.267
   91   HD11  ILE  14          HD11      ILE  14  -5.206  -2.659  -2.957
   92   HD12  ILE  14          HD12      ILE  14  -6.394  -1.406  -3.319
   93   HD13  ILE  14          HD13      ILE  14  -4.672  -1.049  -3.438
   94    HA   PRO  15           HA       PRO  15  -9.433   0.922   2.050
   95    HB2  PRO  15           HB2      PRO  15 -11.046   2.319   0.371
   96    HB3  PRO  15           HB1      PRO  15  -9.976   3.097   1.543
   97    HG2  PRO  15           HG2      PRO  15  -9.571   2.652  -1.389
   98    HG3  PRO  15           HG1      PRO  15  -9.223   4.095  -0.418
   99    HD2  PRO  15           HD2      PRO  15  -7.300   2.335  -1.151
  100    HD3  PRO  15           HD1      PRO  15  -7.238   3.236   0.378
  101    H    ASP  16           H        ASP  16  -8.941   0.261  -1.359
  102    HA   ASP  16           HA       ASP  16 -11.125  -1.716  -1.257
  103    HB2  ASP  16           HB2      ASP  16 -11.177   0.276  -2.944
  104    HB3  ASP  16           HB1      ASP  16  -9.985  -0.672  -3.828
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -8.515  -1.884  -1.328
    2    HA2  GLY   1           HA2      GLY   1  -8.053  -4.765  -1.409
    3    HA3  GLY   1           HA1      GLY   1  -7.084  -3.534  -2.203
    4    HA   PRO   2           HA       PRO   2  -5.163  -5.065   1.868
    5    HB2  PRO   2           HB2      PRO   2  -3.167  -6.569   0.806
    6    HB3  PRO   2           HB1      PRO   2  -4.756  -7.229   1.213
    7    HG2  PRO   2           HG2      PRO   2  -3.687  -6.363  -1.447
    8    HG3  PRO   2           HG1      PRO   2  -4.643  -7.800  -1.039
    9    HD2  PRO   2           HD2      PRO   2  -5.739  -5.590  -2.156
   10    HD3  PRO   2           HD1      PRO   2  -6.629  -6.632  -1.025
   11    H    CYS   3           H        CYS   3  -2.461  -5.200   1.974
   12    HA   CYS   3           HA       CYS   3  -1.657  -2.540   1.018
   13    HB2  CYS   3           HB2      CYS   3  -0.094  -4.051   3.069
   14    HB3  CYS   3           HB1      CYS   3  -0.323  -2.315   2.892
   15    H    PHE   4           H        PHE   4   0.514  -2.230   0.246
   16    HA   PHE   4           HA       PHE   4   1.962  -4.619  -0.593
   17    HB2  PHE   4           HB2      PHE   4   0.686  -2.636  -2.442
   18    HB3  PHE   4           HB1      PHE   4   2.188  -3.423  -2.914
   19    HD1  PHE   4           HD2      PHE   4   2.259  -5.809  -3.354
   20    HD2  PHE   4           HD1      PHE   4  -1.376  -3.864  -2.295
   21    HE1  PHE   4           HE2      PHE   4   0.988  -7.769  -4.128
   22    HE2  PHE   4           HE1      PHE   4  -2.652  -5.821  -3.067
   23    HZ   PHE   4           HZ       PHE   4  -1.470  -7.776  -3.987
   24    HA   PRO   5           HA       PRO   5   5.397  -2.098   0.536
   25    HB2  PRO   5           HB2      PRO   5   7.360  -3.536  -0.668
   26    HB3  PRO   5           HB1      PRO   5   6.549  -4.068   0.810
   27    HG2  PRO   5           HG2      PRO   5   6.060  -4.901  -2.023
   28    HG3  PRO   5           HG1      PRO   5   6.136  -5.900  -0.561
   29    HD2  PRO   5           HD2      PRO   5   3.793  -5.144  -1.689
   30    HD3  PRO   5           HD1      PRO   5   3.979  -5.375   0.061
   31    H    MET   6           H        MET   6   4.512  -0.375  -0.919
   32    HA   MET   6           HA       MET   6   6.471   0.213  -2.983
   33    HB2  MET   6           HB2      MET   6   3.602  -0.343  -3.520
   34    HB3  MET   6           HB1      MET   6   4.329   1.009  -4.379
   35    HG2  MET   6           HG2      MET   6   6.149  -0.598  -5.088
   36    HG3  MET   6           HG1      MET   6   5.117  -1.884  -4.469
   37    HE1  MET   6           HE1      MET   6   2.295  -0.632  -5.079
   38    HE2  MET   6           HE2      MET   6   1.873  -1.204  -6.693
   39    HE3  MET   6           HE3      MET   6   2.553  -2.323  -5.509
   40    H    GLY   7           H        GLY   7   5.759   2.491  -3.994
   41    HA2  GLY   7           HA2      GLY   7   5.190   4.711  -3.630
   42    HA3  GLY   7           HA1      GLY   7   4.461   4.242  -2.101
   43    HA   PRO   8           HA       PRO   8   8.414   6.582  -1.292
   44    HB2  PRO   8           HB2      PRO   8   7.305   8.380   0.412
   45    HB3  PRO   8           HB1      PRO   8   7.361   8.622  -1.338
   46    HG2  PRO   8           HG2      PRO   8   5.103   7.644   0.367
   47    HG3  PRO   8           HG1      PRO   8   5.070   8.798  -0.978
   48    HD2  PRO   8           HD2      PRO   8   4.333   6.208  -1.263
   49    HD3  PRO   8           HD1      PRO   8   5.094   7.134  -2.572
   50    H    TRP   9           H        TRP   9   5.806   5.457   0.803
   51    HA   TRP   9           HA       TRP   9   7.625   5.188   3.063
   52    HB2  TRP   9           HB2      TRP   9   4.741   5.356   2.702
   53    HB3  TRP   9           HB1      TRP   9   5.196   4.045   3.786
   54    HD1  TRP   9           HD       TRP   9   5.225   4.788   6.223
   55    HE1  TRP   9           HE1      TRP   9   5.723   6.971   7.492
   56    HE3  TRP   9           HE3      TRP   9   6.380   7.790   2.251
   57    HZ2  TRP   9           HZ2      TRP   9   6.501   9.616   6.889
   58    HZ3  TRP   9           HZ3      TRP   9   6.991  10.134   2.682
   59    HH2  TRP   9           HH       TRP   9   7.049  11.027   4.954
   60    H    GLY  10           H        GLY  10   5.651   3.139   0.943
   61    HA2  GLY  10           HA2      GLY  10   6.703   1.044   0.194
   62    HA3  GLY  10           HA1      GLY  10   7.279   0.841   1.841
   63    HA   PRO  11           HA       PRO  11   3.784  -1.701   2.624
   64    HB2  PRO  11           HB2      PRO  11   3.661  -1.475   5.326
   65    HB3  PRO  11           HB1      PRO  11   4.906  -2.416   4.497
   66    HG2  PRO  11           HG2      PRO  11   5.061   0.353   5.623
   67    HG3  PRO  11           HG1      PRO  11   6.246  -0.963   5.722
   68    HD2  PRO  11           HD2      PRO  11   6.482   1.080   3.961
   69    HD3  PRO  11           HD1      PRO  11   7.058  -0.560   3.602
   70    H    PHE  12           H        PHE  12   2.359  -0.123   1.523
   71    HA   PHE  12           HA       PHE  12   0.715   1.391   3.443
   72    HB2  PHE  12           HB2      PHE  12   0.251   2.997   1.792
   73    HB3  PHE  12           HB1      PHE  12   1.963   2.650   1.576
   74    HD1  PHE  12           HD2      PHE  12  -1.392   2.236   0.173
   75    HD2  PHE  12           HD1      PHE  12   2.766   1.517  -0.386
   76    HE1  PHE  12           HE2      PHE  12  -1.807   1.692  -2.191
   77    HE2  PHE  12           HE1      PHE  12   2.358   0.972  -2.750
   78    HZ   PHE  12           HZ       PHE  12   0.069   1.060  -3.656
   79    H    CYS  13           H        CYS  13  -1.539   1.292   3.260
   80    HA   CYS  13           HA       CYS  13  -2.521  -1.041   1.755
   81    HB2  CYS  13           HB2      CYS  13  -3.888   0.227   4.126
   82    HB3  CYS  13           HB1      CYS  13  -4.180  -1.361   3.425
   83    H    ILE  14           H        ILE  14  -4.549  -0.911   0.707
   84    HA   ILE  14           HA       ILE  14  -5.367   1.846   0.062
   85    HB   ILE  14           HB       ILE  14  -6.362   0.632  -2.031
   86   HG12  ILE  14          HG12      ILE  14  -4.011  -1.180  -1.550
   87   HG13  ILE  14          HG11      ILE  14  -5.619  -1.620  -0.987
   88   HG21  ILE  14          HG21      ILE  14  -3.876   1.917  -1.452
   89   HG22  ILE  14          HG22      ILE  14  -3.626   0.687  -2.691
   90   HG23  ILE  14          HG23      ILE  14  -4.828   1.954  -2.936
   91   HD11  ILE  14          HD11      ILE  14  -6.417  -1.345  -3.339
   92   HD12  ILE  14          HD12      ILE  14  -4.730  -1.158  -3.818
   93   HD13  ILE  14          HD13      ILE  14  -5.276  -2.665  -3.084
   94    HA   PRO  15           HA       PRO  15  -9.455   1.080   1.462
   95    HB2  PRO  15           HB2      PRO  15 -10.950   2.398  -0.381
   96    HB3  PRO  15           HB1      PRO  15  -9.968   3.229   0.832
   97    HG2  PRO  15           HG2      PRO  15  -9.354   2.670  -2.045
   98    HG3  PRO  15           HG1      PRO  15  -9.082   4.152  -1.111
   99    HD2  PRO  15           HD2      PRO  15  -7.106   2.377  -1.635
  100    HD3  PRO  15           HD1      PRO  15  -7.155   3.339  -0.143
  101    H    ASP  16           H        ASP  16 -10.056  -1.020   1.323
  102    HA   ASP  16           HA       ASP  16 -11.136  -2.875   0.564
  103    HB2  ASP  16           HB2      ASP  16 -12.645  -0.915  -0.396
  104    HB3  ASP  16           HB1      ASP  16 -12.031  -1.513  -1.935