*HEADER    PLANT PROTEIN                           24-JAN-16   2NB6              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 10 (PDP-10)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PREPROALBUMIN PAWS1;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 37-52;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: GALINSOGA QUADRIRADIATA;                        
*SOURCE   4 ORGANISM_COMMON: SHAGGY SOLDIER;                                     
*SOURCE   5 ORGANISM_TAXID: 183030;                                              
*SOURCE   6 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS.                        
*KEYWDS    PLANT PEPTIDE, PLANT PROTEIN                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.G.FRANKE, A.G.ELLIOTT, J.S.MYLNE, K.J.ROSENGREN                     
*REVDAT   1   29-JUN-16 2NB6    0                                                


 12 THR  H      12 THR  QG2     4.06            #peak 2 #SUP 1.00
 12 THR  H      12 THR  HB      4.14            #peak 4 #SUP 0.94 #QF 0.94
 11 PHE  HA     12 THR  H       2.76            #peak 5 #SUP 0.78 #QF 0.78
 12 THR  HA     13 CYSS H       3.14            #peak 13 #SUP 0.69 #QF 0.69
 13 CYSS HA     14 ASP  H       3.11            #peak 17 #SUP 0.75 #QF 0.75
 10 PHE  H      10 PHE  HA      2.89            #peak 19 #SUP 0.99 #QF 0.99
 10 PHE  HB2    11 PHE  H       5.50            #peak 36 #SUP 1.00
 10 PHE  HB3    11 PHE  H       5.50            #peak 37 #SUP 1.00
  8 PRO  HA      9 PRO  HA      2.74            #peak 66 #SUP 1.00
  3 TYR  H       3 TYR  HB2     4.09            #peak 71 #SUP 1.00
  3 TYR  H       3 TYR  HB3     4.09            #peak 72 #SUP 0.98 #QF 0.98
  3 TYR  HA      4 PRO  HD3     3.08            #peak 107 #SUP 0.94 #QF 0.94
  3 TYR  HA      4 PRO  HD2     3.67            #peak 108 #SUP 1.00
  7 TYR  HA      8 PRO  HD2     3.67            #peak 109 #SUP 0.92 #QF 0.92
  7 TYR  HA      8 PRO  HD3     3.67            #peak 110 #SUP 0.94 #QF 0.94
  4 PRO  HA      5 VAL  H       2.68            #peak 112 #SUP 0.67 #QF 0.67
  5 VAL  H      10 PHE  HA      3.75            #peak 113 #SUP 1.00
  5 VAL  H       5 VAL  QG1     4.53            #peak 115 #SUP 1.00
  5 VAL  H       5 VAL  QG2     3.67            #peak 116 #SUP 0.94 #QF 0.94
  5 VAL  HA      6 PRO  HD3     3.48            #peak 138 #SUP 1.00
  5 VAL  HA      6 PRO  HD2     3.25            #peak 139 #SUP 1.00
  1 GLY  QA      2 CYSS H       3.19            #peak 140 #SUP 1.00
 14 ASP  HA     15 PRO  QD      3.60            #peak 153 #SUP 0.96 #QF 0.96
 12 THR  HA     12 THR  QG2     4.25            #peak 180 #SUP 1.00
  3 TYR  H       4 PRO  HD3     5.04            #peak 192 #SUP 1.00
  3 TYR  H      13 CYSS HA      5.03            #peak 193 #SUP 0.98 #QF 0.98
  5 VAL  QG2    10 PHE  H       4.23            #peak 195 #SUP 0.86 #QF 0.86
  5 VAL  QG2    12 THR  H       4.54            #peak 196 #SUP 0.93 #QF 0.93
  3 TYR  H       5 VAL  QG1     5.00            #peak 197 #SUP 0.88 #QF 0.88
 12 THR  QG2    13 CYSS H       5.50            #peak 198 #SUP 1.00
  9 PRO  HG3    10 PHE  H       5.50            #peak 201 #SUP 0.99 #QF 0.99
  2 CYSS HA     14 ASP  H       4.76            #peak 202 #SUP 0.87 #QF 0.87
  4 PRO  HA     12 THR  H       4.62            #peak 203 #SUP 0.89 #QF 0.89
  4 PRO  HB3     5 VAL  H       4.30            #peak 204 #SUP 0.99 #QF 0.99
  4 PRO  HB2     5 VAL  H       4.30            #peak 205 #SUP 1.00
 15 PRO  QG     16 ASN  H       5.50            #peak 206 #SUP 1.00
  3 TYR  H       3 TYR  QD      3.94            #peak 209 #SUP 0.98 #QF 0.98
 10 PHE  H      11 PHE  H       3.40            #peak 210 #SUP 0.95 #QF 0.95
 10 PHE  H      10 PHE  QD      4.21            #peak 211 #SUP 1.00
 11 PHE  QD     12 THR  H       5.50            #peak 213 #SUP 0.98 #QF 0.98
  8 PRO  HA     10 PHE  H       3.00            #peak 219 #SUP 0.57 #QF 0.57
  5 VAL  H      11 PHE  HA      4.24            #peak 221 #SUP 0.94 #QF 0.94
  8 PRO  HA     11 PHE  H       5.50            #peak 224 #SUP 1.00
  9 PRO  HB2    11 PHE  H       5.50            #peak 225 #SUP 1.00
  6 PRO  HD2     7 TYR  H       4.18            #peak 227 #SUP 1.00
  6 PRO  HD3     7 TYR  H       4.95            #peak 228 #SUP 0.99 #QF 0.99
  4 PRO  HA     11 PHE  HA      3.41            #peak 233 #SUP 0.93 #QF 0.93
  3 TYR  HA      3 TYR  QD      3.78            #peak 241 #SUP 1.00
  7 TYR  HA      7 TYR  QD      4.18            #peak 250 #SUP 0.96 #QF 0.96
  7 TYR  H       7 TYR  QD      2.79            #peak 253 #SUP 0.72 #QF 0.72
 10 PHE  HA     10 PHE  QD      2.59            #peak 257 #SUP 0.57 #QF 0.57
 11 PHE  HA     11 PHE  QD      4.34            #peak 261 #SUP 1.00
  3 TYR  QD      5 VAL  QG1     3.53            #peak 270 #SUP 0.70 #QF 0.70
  9 PRO  HA     10 PHE  QD      4.45            #peak 274 #SUP 1.00
 11 PHE  QD     12 THR  HA      4.46            #peak 275 #SUP 0.47 #QF 0.47
  5 VAL  HB      7 TYR  H       3.84            #peak 276 #SUP 0.97 #QF 0.97
  5 VAL  QG2     7 TYR  H       4.01            #peak 277 #SUP 0.98 #QF 0.98
  5 VAL  HB      7 TYR  QD      4.51            #peak 278 #SUP 1.00
  5 VAL  QG2     7 TYR  QD      4.31            #peak 280 #SUP 1.00
  5 VAL  QG2    11 PHE  HA      3.62            #peak 281 #SUP 0.85 #QF 0.85
  5 VAL  QG1    11 PHE  HA      5.50            #peak 282 #SUP 0.92 #QF 0.85
 11 PHE  HA     12 THR  QG2     5.50            #peak 282 #SUP 0.92 #QF 0.85
  5 VAL  QG2    11 PHE  H       3.82            #peak 285 #SUP 0.95 #QF 0.95
  5 VAL  QG2    10 PHE  QD      4.25            #peak 286 #SUP 0.96 #QF 0.96
  5 VAL  HB     10 PHE  QD      4.98            #peak 287 #SUP 0.72 #QF 0.72
  5 VAL  QG1    10 PHE  QD      5.50            #peak 290 #SUP 0.70 #QF 0.70
  9 PRO  HG2    11 PHE  H       3.67            #peak 291 #SUP 0.59 #QF 0.59
  9 PRO  HB2    11 PHE  QD      4.40            #peak 292 #SUP 0.84 #QF 0.84
  9 PRO  HB2    11 PHE  QE      4.08            #peak 293 #SUP 0.71 #QF 0.71
  2 CYSS HA      3 TYR  QD      4.29            #peak 299 #SUP 0.85 #QF 0.85
  3 TYR  QD      4 PRO  HD2     4.01            #peak 300 #SUP 0.99 #QF 0.99
  6 PRO  HG3     7 TYR  QD      4.41            #peak 308 #SUP 0.95 #QF 0.95
  6 PRO  HG2     7 TYR  QD      4.41            #peak 309 #SUP 1.00
  6 PRO  HG2     7 TYR  QE      5.50            #peak 310 #SUP 1.00
  6 PRO  HG3     7 TYR  QE      5.50            #peak 311 #SUP 1.00
  6 PRO  HD2     7 TYR  QE      4.12            #peak 316 #SUP 1.00
  6 PRO  HD2     7 TYR  QD      4.02            #peak 317 #SUP 1.00
  5 VAL  HB      7 TYR  QE      4.09            #peak 318 #SUP 0.99 #QF 0.99
  5 VAL  QG2     7 TYR  QE      4.16            #peak 319 #SUP 0.99 #QF 0.99
  8 PRO  HA     10 PHE  QD      3.25            #peak 320 #SUP 0.87 #QF 0.87
  8 PRO  HB3    10 PHE  H       4.65            #peak 324 #SUP 0.99 #QF 0.99
 13 CYSS HB3    14 ASP  H       5.50            #peak 327 #SUP 0.98 #QF 0.98
 13 CYSS HB2    14 ASP  H       5.50            #peak 328 #SUP 0.99 #QF 0.29
  9 PRO  HB2    10 PHE  QD      5.50            #peak 333 #SUP 0.78 #QF 0.78
  8 PRO  HB3    10 PHE  QD      4.18            #peak 340 #SUP 0.99 #QF 0.99
  7 TYR  HA     10 PHE  QD      4.33            #peak 341 #SUP 0.46 #QF 0.46
  9 PRO  HG3    11 PHE  H       5.20            #peak 342 #SUP 0.61 #QF 0.61
  2 CYSS HA     13 CYSS HA      3.35            #peak 343 #SUP 0.85 #QF 0.85
  2 CYSS HA      3 TYR  H       2.81            #peak 346 #SUP 0.67 #QF 0.67
  5 VAL  HA      7 TYR  H       4.77            #peak 347 #SUP 0.99 #QF 0.99
  3 TYR  QE      5 VAL  QG1     3.69            #peak 348 #SUP 0.87 #QF 0.30
  7 TYR  HB2     8 PRO  HD3     4.60            #peak 349 #SUP 0.98 #QF 0.98
  7 TYR  HB2     8 PRO  HD2     4.60            #peak 350 #SUP 1.00
  7 TYR  HB3     8 PRO  HD3     4.60            #peak 351 #SUP 0.99 #QF 0.99
  7 TYR  HB3     8 PRO  HD2     4.60            #peak 352 #SUP 1.00
  3 TYR  HB2     4 PRO  HD2     3.84            #peak 353 #SUP 1.00
  3 TYR  HB2     4 PRO  HD3     4.21            #peak 354 #SUP 1.00
  3 TYR  HB3     4 PRO  HD2     3.84            #peak 355 #SUP 0.99 #QF 0.99
  3 TYR  HB3     4 PRO  HD3     4.21            #peak 356 #SUP 1.00
  1 GLY  QA      3 TYR  QD      4.26            #peak 358 #SUP 0.40 #QF 0.40
  5 VAL  QG2     6 PRO  HD2     4.22            #peak 363 #SUP 1.00
  5 VAL  QG2     6 PRO  HD3     4.80            #peak 364 #SUP 1.00
  5 VAL  QG1     6 PRO  HD2     3.80            #peak 365 #SUP 1.00
  5 VAL  QG1     6 PRO  HD3     4.00            #peak 366 #SUP 0.85 #QF 0.85
  5 VAL  QG2    10 PHE  HA      3.22            #peak 368 #SUP 0.99 #QF 0.96
  5 VAL  HA      5 VAL  QG1     3.12            #peak 369 #SUP 0.99 #QF 0.99
  5 VAL  HB      6 PRO  HD2     3.18            #peak 370 #SUP 0.96 #QF 0.96
  5 VAL  HB      6 PRO  HD3     3.84            #peak 371 #SUP 0.96 #QF 0.96
  2 CYSS QB      3 TYR  H       4.14            #peak 325
  3 TYR  H       3 TYR  QB      3.46            #peak 72
  3 TYR  QB      4 PRO  HD2     3.23            #peak 355
  3 TYR  QB      4 PRO  HD3     3.50            #peak 354
  4 PRO  QB      5 VAL  H       3.75            #peak 204
  5 VAL  H      10 PHE  QB      5.13            #peak 222
  6 PRO  QB      7 TYR  QD      5.34            #peak 314
  6 PRO  QG      7 TYR  H       4.55            #peak 313
  6 PRO  QG      7 TYR  QD      3.55            #peak 308
  6 PRO  QG      7 TYR  QE      4.62            #peak 311
  7 TYR  H       7 TYR  QB      3.68            #peak 26
  7 TYR  HA      8 PRO  QD      3.13            #peak 109
  7 TYR  QB      8 PRO  QD      3.08            #peak 349
  8 PRO  QG     10 PHE  QD      5.35            #peak 321
  9 PRO  QD     11 PHE  H       5.34            #peak 223
 10 PHE  QB     11 PHE  QD      4.21            #peak 331
 11 PHE  QB     12 THR  H       3.48            #peak 9
 #14 ASP  H      14 ASP  QB      3.37            #peak 16


# 1 GLY weak
 3 TYR N  12 THR O 3.3
 3 TYR H  12 THR O 2.3
 5 VAL N  10 PHE O 3.3
 5 VAL H  10 PHE O 2.3
# 5 TRP
# 6 THR N  11 PHE O 3.3
# 6 THR H  11 PHE O 2.3
# 7 SER
# 8 THR
# 11 PHE H 9 PRO O 2.3
# 11 PHE N 9 PRO O 3.3
# 12 PHE
 12 THR N  3 TYR O 3.3
 12 THR H  3 TYR O 2.3
 # 14 CYSS
 #15 THR N  2 ASP O 3.3
 #15 THR H  2 ASP O 2.3

#    2 c -126.712  150.540   10.108    6.971    0.775 0.825 25  8 Strong
   2   CYSS  PHI    -146.9  -106.5
   2   CYSS  PSI     130.5   170.5

#    3 Y -118.354  122.551   10.586   17.075    0.773 0.842 25  9 Strong
   3   TYR  PHI    -139.5   -97.2
   3   TYR  PSI      88.4   156.7

#    4 P  -71.705  146.597    6.710   11.943    0.758 0.843 25  9 Strong
 #  4   PRO  PHI     -91.7   -51.7
   4   PRO  PSI     122.7   170.5

#    5 V -101.896  132.974   17.670   17.584    0.749 0.850 25  9 Strong
   5   VAL  PHI    -137.2   -66.6
   5   VAL  PSI      97.8   168.1
   5   VAL  CHI1    -70.0   -50.0
#    6 P  -68.367  141.186    9.384   19.928    0.813 0.848 25  9 Strong
 #  6   PRO  PHI     -88.4   -48.4
 #  6   PRO  PSI     101.3   181.0

#    7 Y  -91.257  138.651   24.201   21.724    1.633 0.843 25  9 Strong
   7   TYR  PHI    -139.7   -42.9
   7   TYR  PSI      95.2   182.1

#    8 P  -64.443  152.997    6.757    7.757    1.206 0.816 25  9 Strong
 #  8   PRO  PHI     -84.4   -44.4
   8   PRO  PSI     133.0   173.0

#    9 P  -65.303  145.522    6.859    7.634    1.003 0.806 25  9 Strong
 #  9   PRO  PHI     -85.3   -45.3
   9   PRO  PSI     125.5   165.5

#   11 F -111.223  140.535   14.445   12.098    0.926 0.870 25  9 Strong
  11   PHE  PHI    -140.1   -82.3
  11   PHE  PSI     116.3   164.7

#   12 T  -99.680  132.329   12.602   10.656    0.932 0.895 25  9 Strong
  12   THR  PHI    -124.9   -74.5
  12   THR  PSI     111.0   153.6

#   13 c -127.825  152.874   11.524    7.840    0.900 0.906 25  9 Strong
  13   CYSS  PHI    -150.9  -104.8
  13   CYSS  PSI     132.9   172.9

#   14 D  -88.636  126.453   16.376   22.614    0.735 0.864 25  9 Strong
  14   ASP  PHI    -121.4   -55.9
  14   ASP  PSI      81.2   171.7

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -8.958  -0.036  -0.523
    2    HA2  GLY   1           HA2      GLY   1  -8.255  -2.394  -0.131
    3    HA3  GLY   1           HA1      GLY   1  -7.847  -2.439  -1.839
    4    H    CYS   2           H        CYS   2  -6.408  -2.506   0.969
    5    HA   CYS   2           HA       CYS   2  -4.216  -0.708   0.163
    6    HB2  CYS   2           HB2      CYS   2  -4.940  -1.618   2.957
    7    HB3  CYS   2           HB1      CYS   2  -3.608  -0.547   2.534
    8    H    TYR   3           H        TYR   3  -2.215  -1.544  -0.066
    9    HA   TYR   3           HA       TYR   3  -1.690  -4.259   0.896
   10    HB2  TYR   3           HB2      TYR   3  -0.548  -4.684  -1.368
   11    HB3  TYR   3           HB1      TYR   3  -2.306  -4.765  -1.313
   12    HD1  TYR   3           HD1      TYR   3   0.573  -2.746  -2.412
   13    HD2  TYR   3           HD2      TYR   3  -3.657  -3.192  -2.511
   14    HE1  TYR   3           HE1      TYR   3   0.446  -1.080  -4.217
   15    HE2  TYR   3           HE2      TYR   3  -3.796  -1.527  -4.317
   16    HH   TYR   3           HH       TYR   3  -0.944  -0.285  -5.894
   17    HA   PRO   4           HA       PRO   4   2.274  -2.722   1.979
   18    HB2  PRO   4           HB2      PRO   4   3.834  -4.913   1.606
   19    HB3  PRO   4           HB1      PRO   4   2.684  -4.769   2.939
   20    HG2  PRO   4           HG2      PRO   4   2.386  -6.200   0.327
   21    HG3  PRO   4           HG1      PRO   4   1.918  -6.731   1.953
   22    HD2  PRO   4           HD2      PRO   4   0.137  -5.721   0.181
   23    HD3  PRO   4           HD1      PRO   4  -0.026  -5.493   1.934
   24    H    VAL   5           H        VAL   5   4.180  -1.895   1.137
   25    HA   VAL   5           HA       VAL   5   4.799  -2.483  -1.671
   26    HB   VAL   5           HB       VAL   5   5.208  -0.024  -2.040
   27   HG11  VAL   5          HG11      VAL   5   2.315  -0.500  -1.429
   28   HG12  VAL   5          HG12      VAL   5   3.043   0.355  -2.791
   29   HG13  VAL   5          HG13      VAL   5   3.128  -1.405  -2.705
   30   HG21  VAL   5          HG21      VAL   5   3.576   0.233   0.484
   31   HG22  VAL   5          HG22      VAL   5   5.277   0.658   0.306
   32   HG23  VAL   5          HG23      VAL   5   4.048   1.557  -0.581
   33    HA   PRO   6           HA       PRO   6   8.997  -2.484  -0.385
   34    HB2  PRO   6           HB2      PRO   6  10.240  -1.577  -2.622
   35    HB3  PRO   6           HB1      PRO   6   9.525  -3.190  -2.508
   36    HG2  PRO   6           HG2      PRO   6   8.409  -0.706  -3.753
   37    HG3  PRO   6           HG1      PRO   6   8.385  -2.371  -4.362
   38    HD2  PRO   6           HD2      PRO   6   6.247  -1.230  -3.154
   39    HD3  PRO   6           HD1      PRO   6   6.600  -2.966  -3.031
   40    H    TYR   7           H        TYR   7   8.183   0.469  -2.219
   41    HA   TYR   7           HA       TYR   7  10.139   2.012  -0.752
   42    HB2  TYR   7           HB2      TYR   7   9.407   3.880  -2.158
   43    HB3  TYR   7           HB1      TYR   7   9.751   2.457  -3.136
   44    HD1  TYR   7           HD2      TYR   7   7.073   4.597  -1.787
   45    HD2  TYR   7           HD1      TYR   7   8.025   1.373  -4.394
   46    HE1  TYR   7           HE2      TYR   7   4.833   4.755  -2.791
   47    HE2  TYR   7           HE1      TYR   7   5.788   1.522  -5.406
   48    HH   TYR   7           HH       TYR   7   4.003   3.528  -5.634
   49    HA   PRO   8           HA       PRO   8   7.469   3.344   2.487
   50    HB2  PRO   8           HB2      PRO   8   8.785   5.606   3.208
   51    HB3  PRO   8           HB1      PRO   8   9.380   3.986   3.588
   52    HG2  PRO   8           HG2      PRO   8  10.192   5.831   1.376
   53    HG3  PRO   8           HG1      PRO   8  11.209   4.827   2.426
   54    HD2  PRO   8           HD2      PRO   8  10.557   4.098  -0.100
   55    HD3  PRO   8           HD1      PRO   8  10.805   2.916   1.201
   56    HA   PRO   9           HA       PRO   9   6.280   4.405   3.930
   57    HB2  PRO   9           HB2      PRO   9   3.570   4.276   4.014
   58    HB3  PRO   9           HB1      PRO   9   4.478   5.721   4.477
   59    HG2  PRO   9           HG2      PRO   9   3.081   5.105   1.901
   60    HG3  PRO   9           HG1      PRO   9   3.102   6.616   2.828
   61    HD2  PRO   9           HD2      PRO   9   4.649   6.228   0.640
   62    HD3  PRO   9           HD1      PRO   9   5.164   7.238   2.007
   63    H    PHE  10           H        PHE  10   5.718   2.290   4.537
   64    HA   PHE  10           HA       PHE  10   5.645   0.409   2.372
   65    HB2  PHE  10           HB2      PHE  10   5.511  -0.040   5.361
   66    HB3  PHE  10           HB1      PHE  10   5.744  -1.297   4.152
   67    HD1  PHE  10           HD2      PHE  10   7.629   0.206   2.344
   68    HD2  PHE  10           HD1      PHE  10   7.509  -0.244   6.574
   69    HE1  PHE  10           HE2      PHE  10  10.061   0.559   2.447
   70    HE2  PHE  10           HE1      PHE  10   9.941   0.109   6.685
   71    HZ   PHE  10           HZ       PHE  10  11.221   0.510   4.619
   72    H    PHE  11           H        PHE  11   3.283   2.160   3.860
   73    HA   PHE  11           HA       PHE  11   1.255   0.059   3.477
   74    HB2  PHE  11           HB2      PHE  11  -0.191   1.650   4.882
   75    HB3  PHE  11           HB1      PHE  11   1.090   0.774   5.713
   76    HD1  PHE  11           HD1      PHE  11   3.135   1.936   6.414
   77    HD2  PHE  11           HD2      PHE  11  -0.141   4.022   4.671
   78    HE1  PHE  11           HE1      PHE  11   4.050   4.064   7.246
   79    HE2  PHE  11           HE2      PHE  11   0.770   6.152   5.500
   80    HZ   PHE  11           HZ       PHE  11   2.869   6.175   6.788
   81    H    THR  12           H        THR  12   0.184   0.219   1.634
   82    HA   THR  12           HA       THR  12  -0.274   2.898   0.492
   83    HB   THR  12           HB       THR  12  -0.063   0.246  -0.947
   84    HG1  THR  12           HG1      THR  12   1.869   1.613  -0.126
   85   HG21  THR  12          HG21      THR  12  -0.061   1.847  -2.974
   86   HG22  THR  12          HG22      THR  12  -0.816   3.000  -1.872
   87   HG23  THR  12          HG23      THR  12  -1.604   1.460  -2.213
   88    H    CYS  13           H        CYS  13  -2.304   3.436  -0.263
   89    HA   CYS  13           HA       CYS  13  -4.455   1.474   0.039
   90    HB2  CYS  13           HB2      CYS  13  -4.274   4.127   1.451
   91    HB3  CYS  13           HB1      CYS  13  -5.827   3.360   1.132
   92    H    ASP  14           H        ASP  14  -6.042   1.656  -1.454
   93    HA   ASP  14           HA       ASP  14  -5.602   3.394  -3.684
   94    HB2  ASP  14           HB2      ASP  14  -7.529   1.222  -3.010
   95    HB3  ASP  14           HB1      ASP  14  -7.971   2.348  -4.291
   96    HA   PRO  15           HA       PRO  15  -8.213   6.793  -2.757
   97    HB2  PRO  15           HB2      PRO  15  -9.388   7.303  -5.150
   98    HB3  PRO  15           HB1      PRO  15  -7.685   7.644  -4.825
   99    HG2  PRO  15           HG2      PRO  15  -8.913   5.311  -6.243
  100    HG3  PRO  15           HG1      PRO  15  -7.474   6.252  -6.676
  101    HD2  PRO  15           HD2      PRO  15  -7.324   3.839  -5.456
  102    HD3  PRO  15           HD1      PRO  15  -6.132   5.125  -5.178
  103    H    ASN  16           H        ASN  16  -9.664   3.953  -4.171
  104    HA   ASN  16           HA       ASN  16 -12.377   4.788  -3.743
  105    HB2  ASN  16           HB2      ASN  16 -12.904   2.394  -4.278
  106    HB3  ASN  16           HB1      ASN  16 -11.954   3.216  -5.513
  107   HD21  ASN  16          HD21      ASN  16 -10.486   1.940  -6.349
  108   HD22  ASN  16          HD22      ASN  16  -9.558   0.754  -5.503
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -9.435  -1.675  -0.865
    2    HA2  GLY   1           HA2      GLY   1  -7.868  -3.343  -0.666
    3    HA3  GLY   1           HA1      GLY   1  -7.467  -3.054  -2.353
    4    H    CYS   2           H        CYS   2  -6.171  -3.165   0.622
    5    HA   CYS   2           HA       CYS   2  -4.064  -1.234  -0.089
    6    HB2  CYS   2           HB2      CYS   2  -5.596  -0.583   1.876
    7    HB3  CYS   2           HB1      CYS   2  -4.793  -1.877   2.760
    8    H    TYR   3           H        TYR   3  -2.046  -2.014  -0.113
    9    HA   TYR   3           HA       TYR   3  -1.451  -4.499   1.318
   10    HB2  TYR   3           HB2      TYR   3  -0.141  -5.217  -0.777
   11    HB3  TYR   3           HB1      TYR   3  -1.892  -5.395  -0.808
   12    HD1  TYR   3           HD2      TYR   3  -3.268  -3.898  -2.180
   13    HD2  TYR   3           HD1      TYR   3   0.979  -3.635  -2.207
   14    HE1  TYR   3           HE2      TYR   3  -3.370  -2.561  -4.242
   15    HE2  TYR   3           HE1      TYR   3   0.889  -2.296  -4.269
   16    HH   TYR   3           HH       TYR   3  -1.440  -2.179  -6.285
   17    HA   PRO   4           HA       PRO   4   2.352  -2.571   2.356
   18    HB2  PRO   4           HB2      PRO   4   4.039  -4.695   2.443
   19    HB3  PRO   4           HB1      PRO   4   2.796  -4.406   3.665
   20    HG2  PRO   4           HG2      PRO   4   2.745  -6.259   1.316
   21    HG3  PRO   4           HG1      PRO   4   2.196  -6.544   2.978
   22    HD2  PRO   4           HD2      PRO   4   0.490  -5.946   0.963
   23    HD3  PRO   4           HD1      PRO   4   0.199  -5.444   2.641
   24    H    VAL   5           H        VAL   5   4.283  -1.798   1.506
   25    HA   VAL   5           HA       VAL   5   5.095  -2.784  -1.136
   26    HB   VAL   5           HB       VAL   5   5.431  -0.405  -1.871
   27   HG11  VAL   5          HG11      VAL   5   2.523  -0.751  -1.346
   28   HG12  VAL   5          HG12      VAL   5   3.360  -0.320  -2.839
   29   HG13  VAL   5          HG13      VAL   5   3.364  -1.992  -2.277
   30   HG21  VAL   5          HG21      VAL   5   5.393   0.703   0.269
   31   HG22  VAL   5          HG22      VAL   5   4.070   1.319  -0.721
   32   HG23  VAL   5          HG23      VAL   5   3.744   0.156   0.564
   33    HA   PRO   6           HA       PRO   6   9.204  -2.401   0.363
   34    HB2  PRO   6           HB2      PRO   6  10.549  -1.792  -1.916
   35    HB3  PRO   6           HB1      PRO   6   9.886  -3.398  -1.592
   36    HG2  PRO   6           HG2      PRO   6   8.760  -1.186  -3.266
   37    HG3  PRO   6           HG1      PRO   6   8.833  -2.923  -3.611
   38    HD2  PRO   6           HD2      PRO   6   6.585  -1.709  -2.713
   39    HD3  PRO   6           HD1      PRO   6   6.992  -3.388  -2.302
   40    H    TYR   7           H        TYR   7   8.395   0.199  -1.945
   41    HA   TYR   7           HA       TYR   7  10.208   2.033  -0.648
   42    HB2  TYR   7           HB2      TYR   7   9.563   3.607  -2.361
   43    HB3  TYR   7           HB1      TYR   7   9.835   2.039  -3.112
   44    HD1  TYR   7           HD2      TYR   7   7.284   4.498  -2.132
   45    HD2  TYR   7           HD1      TYR   7   8.034   0.826  -4.144
   46    HE1  TYR   7           HE2      TYR   7   5.041   4.598  -3.138
   47    HE2  TYR   7           HE1      TYR   7   5.795   0.916  -5.157
   48    HH   TYR   7           HH       TYR   7   3.953   3.610  -5.310
   49    HA   PRO   8           HA       PRO   8   7.333   3.680   2.257
   50    HB2  PRO   8           HB2      PRO   8   8.559   6.054   2.738
   51    HB3  PRO   8           HB1      PRO   8   9.167   4.516   3.361
   52    HG2  PRO   8           HG2      PRO   8  10.060   6.075   0.967
   53    HG3  PRO   8           HG1      PRO   8  11.039   5.248   2.192
   54    HD2  PRO   8           HD2      PRO   8  10.541   4.174  -0.244
   55    HD3  PRO   8           HD1      PRO   8  10.744   3.182   1.214
   56    HA   PRO   9           HA       PRO   9   6.016   4.848   3.465
   57    HB2  PRO   9           HB2      PRO   9   3.311   4.628   3.387
   58    HB3  PRO   9           HB1      PRO   9   4.142   6.151   3.729
   59    HG2  PRO   9           HG2      PRO   9   2.945   5.181   1.161
   60    HG3  PRO   9           HG1      PRO   9   2.858   6.791   1.899
   61    HD2  PRO   9           HD2      PRO   9   4.563   6.203  -0.120
   62    HD3  PRO   9           HD1      PRO   9   4.952   7.388   1.143
   63    H    PHE  10           H        PHE  10   5.454   2.802   4.290
   64    HA   PHE  10           HA       PHE  10   5.597   0.673   2.369
   65    HB2  PHE  10           HB2      PHE  10   5.248   0.574   5.373
   66    HB3  PHE  10           HB1      PHE  10   5.618  -0.804   4.342
   67    HD1  PHE  10           HD1      PHE  10   7.583   0.588   2.513
   68    HD2  PHE  10           HD2      PHE  10   7.155   0.567   6.748
   69    HE1  PHE  10           HE1      PHE  10   9.987   1.053   2.754
   70    HE2  PHE  10           HE2      PHE  10   9.559   1.034   6.996
   71    HZ   PHE  10           HZ       PHE  10  10.977   1.278   4.998
   72    H    PHE  11           H        PHE  11   3.085   2.508   3.436
   73    HA   PHE  11           HA       PHE  11   1.148   0.302   3.206
   74    HB2  PHE  11           HB2      PHE  11  -0.444   2.027   4.251
   75    HB3  PHE  11           HB1      PHE  11   0.789   1.326   5.294
   76    HD1  PHE  11           HD2      PHE  11   2.737   2.651   5.975
   77    HD2  PHE  11           HD1      PHE  11  -0.430   4.343   3.689
   78    HE1  PHE  11           HE2      PHE  11   3.531   4.906   6.553
   79    HE2  PHE  11           HE1      PHE  11   0.361   6.603   4.262
   80    HZ   PHE  11           HZ       PHE  11   2.342   6.887   5.696
   81    H    THR  12           H        THR  12   0.211   0.157   1.289
   82    HA   THR  12           HA       THR  12  -0.342   2.640  -0.202
   83    HB   THR  12           HB       THR  12   0.382  -0.055  -1.370
   84    HG1  THR  12           HG1      THR  12   2.179   1.385  -2.182
   85   HG21  THR  12          HG21      THR  12   0.568   1.874  -3.347
   86   HG22  THR  12          HG22      THR  12  -0.915   2.293  -2.491
   87   HG23  THR  12          HG23      THR  12  -0.717   0.680  -3.175
   88    H    CYS  13           H        CYS  13  -2.460   3.004  -0.121
   89    HA   CYS  13           HA       CYS  13  -4.286   0.712  -0.436
   90    HB2  CYS  13           HB2      CYS  13  -5.015   3.321   0.889
   91    HB3  CYS  13           HB1      CYS  13  -5.879   1.787   0.956
   92    H    ASP  14           H        ASP  14  -6.484   1.436  -1.317
   93    HA   ASP  14           HA       ASP  14  -6.045   3.349  -3.515
   94    HB2  ASP  14           HB2      ASP  14  -6.355   0.790  -3.993
   95    HB3  ASP  14           HB1      ASP  14  -8.057   1.137  -3.705
   96    HA   PRO  15           HA       PRO  15  -9.446   5.056  -0.911
   97    HB2  PRO  15           HB2      PRO  15  -8.683   7.642  -1.233
   98    HB3  PRO  15           HB1      PRO  15  -8.001   6.587   0.010
   99    HG2  PRO  15           HG2      PRO  15  -6.880   7.335  -2.663
  100    HG3  PRO  15           HG1      PRO  15  -6.056   7.218  -1.097
  101    HD2  PRO  15           HD2      PRO  15  -5.908   5.268  -2.969
  102    HD3  PRO  15           HD1      PRO  15  -5.861   4.926  -1.228
  103    H    ASN  16           H        ASN  16 -11.362   5.293  -1.862
  104    HA   ASN  16           HA       ASN  16 -11.805   5.558  -4.580
  105    HB2  ASN  16           HB2      ASN  16 -13.504   6.009  -2.157
  106    HB3  ASN  16           HB1      ASN  16 -14.129   6.469  -3.739
  107   HD21  ASN  16          HD21      ASN  16 -14.132   4.089  -1.538
  108   HD22  ASN  16          HD22      ASN  16 -14.419   2.724  -2.559
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -9.067  -0.494  -1.608
    2    HA2  GLY   1           HA2      GLY   1  -8.304  -2.527   0.375
    3    HA3  GLY   1           HA1      GLY   1  -8.092  -2.664  -1.363
    4    H    CYS   2           H        CYS   2  -6.414  -2.424   1.373
    5    HA   CYS   2           HA       CYS   2  -4.316  -0.714   0.216
    6    HB2  CYS   2           HB2      CYS   2  -4.526  -1.603   3.094
    7    HB3  CYS   2           HB1      CYS   2  -3.494  -0.340   2.431
    8    H    TYR   3           H        TYR   3  -2.249  -1.476  -0.032
    9    HA   TYR   3           HA       TYR   3  -1.681  -4.232   0.781
   10    HB2  TYR   3           HB2      TYR   3  -0.601  -4.534  -1.534
   11    HB3  TYR   3           HB1      TYR   3  -2.355  -4.633  -1.432
   12    HD1  TYR   3           HD2      TYR   3  -3.750  -2.782  -2.277
   13    HD2  TYR   3           HD1      TYR   3   0.478  -2.769  -2.745
   14    HE1  TYR   3           HE2      TYR   3  -3.952  -1.031  -3.993
   15    HE2  TYR   3           HE1      TYR   3   0.289  -1.017  -4.461
   16    HH   TYR   3           HH       TYR   3  -1.760   0.917  -4.897
   17    HA   PRO   4           HA       PRO   4   2.304  -2.722   1.829
   18    HB2  PRO   4           HB2      PRO   4   3.865  -4.880   1.303
   19    HB3  PRO   4           HB1      PRO   4   2.751  -4.812   2.675
   20    HG2  PRO   4           HG2      PRO   4   2.388  -6.113   0.004
   21    HG3  PRO   4           HG1      PRO   4   1.969  -6.727   1.614
   22    HD2  PRO   4           HD2      PRO   4   0.133  -5.643  -0.056
   23    HD3  PRO   4           HD1      PRO   4   0.019  -5.503   1.710
   24    H    VAL   5           H        VAL   5   4.186  -1.848   0.976
   25    HA   VAL   5           HA       VAL   5   4.723  -2.286  -1.875
   26    HB   VAL   5           HB       VAL   5   5.118   0.188  -2.127
   27   HG11  VAL   5          HG11      VAL   5   2.957   0.571  -2.836
   28   HG12  VAL   5          HG12      VAL   5   2.993  -1.191  -2.752
   29   HG13  VAL   5          HG13      VAL   5   2.243  -0.261  -1.455
   30   HG21  VAL   5          HG21      VAL   5   3.544   0.325   0.443
   31   HG22  VAL   5          HG22      VAL   5   5.252   0.726   0.264
   32   HG23  VAL   5          HG23      VAL   5   4.028   1.696  -0.556
   33    HA   PRO   6           HA       PRO   6   8.956  -2.346  -0.714
   34    HB2  PRO   6           HB2      PRO   6  10.133  -1.325  -2.937
   35    HB3  PRO   6           HB1      PRO   6   9.421  -2.942  -2.883
   36    HG2  PRO   6           HG2      PRO   6   8.269  -0.401  -3.968
   37    HG3  PRO   6           HG1      PRO   6   8.227  -2.034  -4.659
   38    HD2  PRO   6           HD2      PRO   6   6.125  -0.960  -3.333
   39    HD3  PRO   6           HD1      PRO   6   6.482  -2.699  -3.308
   40    H    TYR   7           H        TYR   7   8.092   0.694  -2.375
   41    HA   TYR   7           HA       TYR   7  10.086   2.164  -0.885
   42    HB2  TYR   7           HB2      TYR   7   9.458   4.052  -2.222
   43    HB3  TYR   7           HB1      TYR   7   9.516   2.649  -3.283
   44    HD1  TYR   7           HD2      TYR   7   7.322   5.088  -1.636
   45    HD2  TYR   7           HD1      TYR   7   7.506   1.774  -4.299
   46    HE1  TYR   7           HE2      TYR   7   5.023   5.557  -2.371
   47    HE2  TYR   7           HE1      TYR   7   5.207   2.235  -5.041
   48    HH   TYR   7           HH       TYR   7   3.114   3.469  -3.890
   49    HA   PRO   8           HA       PRO   8   7.500   3.332   2.483
   50    HB2  PRO   8           HB2      PRO   8   8.837   5.555   3.282
   51    HB3  PRO   8           HB1      PRO   8   9.440   3.918   3.566
   52    HG2  PRO   8           HG2      PRO   8  10.198   5.871   1.428
   53    HG3  PRO   8           HG1      PRO   8  11.241   4.816   2.401
   54    HD2  PRO   8           HD2      PRO   8  10.524   4.214  -0.140
   55    HD3  PRO   8           HD1      PRO   8  10.803   2.969   1.094
   56    HA   PRO   9           HA       PRO   9   6.354   4.324   4.009
   57    HB2  PRO   9           HB2      PRO   9   3.647   4.192   4.159
   58    HB3  PRO   9           HB1      PRO   9   4.568   5.612   4.667
   59    HG2  PRO   9           HG2      PRO   9   3.103   5.122   2.103
   60    HG3  PRO   9           HG1      PRO   9   3.151   6.586   3.102
   61    HD2  PRO   9           HD2      PRO   9   4.639   6.305   0.857
   62    HD3  PRO   9           HD1      PRO   9   5.191   7.247   2.256
   63    H    PHE  10           H        PHE  10   5.806   2.181   4.527
   64    HA   PHE  10           HA       PHE  10   5.676   0.407   2.277
   65    HB2  PHE  10           HB2      PHE  10   5.608  -0.184   5.243
   66    HB3  PHE  10           HB1      PHE  10   5.808  -1.384   3.971
   67    HD1  PHE  10           HD2      PHE  10   7.657   0.202   2.193
   68    HD2  PHE  10           HD1      PHE  10   7.632  -0.453   6.398
   69    HE1  PHE  10           HE2      PHE  10  10.092   0.544   2.258
   70    HE2  PHE  10           HE1      PHE  10  10.068  -0.111   6.470
   71    HZ   PHE  10           HZ       PHE  10  11.301   0.387   4.397
   72    H    PHE  11           H        PHE  11   3.352   2.088   3.897
   73    HA   PHE  11           HA       PHE  11   1.312   0.008   3.479
   74    HB2  PHE  11           HB2      PHE  11  -0.102   1.562   4.958
   75    HB3  PHE  11           HB1      PHE  11   1.189   0.655   5.737
   76    HD1  PHE  11           HD1      PHE  11   3.246   1.784   6.445
   77    HD2  PHE  11           HD2      PHE  11  -0.038   3.942   4.808
   78    HE1  PHE  11           HE1      PHE  11   4.188   3.880   7.325
   79    HE2  PHE  11           HE2      PHE  11   0.900   6.040   5.683
   80    HZ   PHE  11           HZ       PHE  11   3.016   6.011   6.944
   81    H    THR  12           H        THR  12   0.203   0.223   1.663
   82    HA   THR  12           HA       THR  12  -0.366   2.943   0.674
   83    HB   THR  12           HB       THR  12   0.099   0.447  -0.969
   84    HG1  THR  12           HG1      THR  12   1.605   2.819  -1.163
   85   HG21  THR  12          HG21      THR  12   0.061   2.266  -2.834
   86   HG22  THR  12          HG22      THR  12  -0.888   3.185  -1.666
   87   HG23  THR  12          HG23      THR  12  -1.459   1.613  -2.226
   88    H    CYS  13           H        CYS  13  -2.441   3.451   0.312
   89    HA   CYS  13           HA       CYS  13  -4.426   1.274   0.403
   90    HB2  CYS  13           HB2      CYS  13  -4.454   4.006   1.656
   91    HB3  CYS  13           HB1      CYS  13  -5.959   3.163   1.305
   92    H    ASP  14           H        ASP  14  -6.259   1.461  -0.918
   93    HA   ASP  14           HA       ASP  14  -5.982   3.416  -3.106
   94    HB2  ASP  14           HB2      ASP  14  -5.674   0.885  -3.574
   95    HB3  ASP  14           HB1      ASP  14  -7.424   0.793  -3.391
   96    HA   PRO  15           HA       PRO  15  -9.944   4.406  -0.957
   97    HB2  PRO  15           HB2      PRO  15  -9.682   7.093  -1.252
   98    HB3  PRO  15           HB1      PRO  15  -8.959   6.198   0.091
   99    HG2  PRO  15           HG2      PRO  15  -7.693   7.155  -2.447
  100    HG3  PRO  15           HG1      PRO  15  -7.060   7.208  -0.793
  101    HD2  PRO  15           HD2      PRO  15  -6.297   5.327  -2.584
  102    HD3  PRO  15           HD1      PRO  15  -6.394   5.002  -0.841
  103    H    ASN  16           H        ASN  16  -8.537   5.375  -4.014
  104    HA   ASN  16           HA       ASN  16 -10.796   6.574  -5.177
  105    HB2  ASN  16           HB2      ASN  16  -8.695   5.002  -6.672
  106    HB3  ASN  16           HB1      ASN  16  -9.665   6.345  -7.271
  107   HD21  ASN  16          HD21      ASN  16  -6.696   5.801  -6.880
  108   HD22  ASN  16          HD22      ASN  16  -6.119   7.227  -6.093
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -8.528  -2.947   1.472
    2    HA2  GLY   1           HA2      GLY   1  -8.010  -3.047  -0.826
    3    HA3  GLY   1           HA1      GLY   1  -8.553  -1.385  -0.998
    4    H    CYS   2           H        CYS   2  -6.329  -2.415   1.500
    5    HA   CYS   2           HA       CYS   2  -4.253  -0.766   0.229
    6    HB2  CYS   2           HB2      CYS   2  -4.383  -1.630   3.121
    7    HB3  CYS   2           HB1      CYS   2  -3.331  -0.406   2.417
    8    H    TYR   3           H        TYR   3  -2.160  -1.522   0.003
    9    HA   TYR   3           HA       TYR   3  -1.625  -4.306   0.743
   10    HB2  TYR   3           HB2      TYR   3  -0.535  -4.544  -1.582
   11    HB3  TYR   3           HB1      TYR   3  -2.289  -4.653  -1.478
   12    HD1  TYR   3           HD2      TYR   3  -3.694  -2.777  -2.257
   13    HD2  TYR   3           HD1      TYR   3   0.531  -2.751  -2.757
   14    HE1  TYR   3           HE2      TYR   3  -3.908  -0.982  -3.925
   15    HE2  TYR   3           HE1      TYR   3   0.329  -0.955  -4.425
   16    HH   TYR   3           HH       TYR   3  -1.376  -0.062  -5.972
   17    HA   PRO   4           HA       PRO   4   2.376  -2.874   1.837
   18    HB2  PRO   4           HB2      PRO   4   3.913  -5.032   1.249
   19    HB3  PRO   4           HB1      PRO   4   2.798  -4.991   2.621
   20    HG2  PRO   4           HG2      PRO   4   2.425  -6.210  -0.089
   21    HG3  PRO   4           HG1      PRO   4   1.998  -6.866   1.502
   22    HD2  PRO   4           HD2      PRO   4   0.176  -5.713  -0.137
   23    HD3  PRO   4           HD1      PRO   4   0.060  -5.625   1.633
   24    H    VAL   5           H        VAL   5   4.224  -1.943   1.005
   25    HA   VAL   5           HA       VAL   5   4.802  -2.338  -1.844
   26    HB   VAL   5           HB       VAL   5   5.158   0.147  -2.061
   27   HG11  VAL   5          HG11      VAL   5   2.371  -0.878  -1.537
   28   HG12  VAL   5          HG12      VAL   5   2.742   0.643  -2.351
   29   HG13  VAL   5          HG13      VAL   5   3.238  -0.888  -3.072
   30   HG21  VAL   5          HG21      VAL   5   3.504   0.261   0.457
   31   HG22  VAL   5          HG22      VAL   5   5.232   0.606   0.374
   32   HG23  VAL   5          HG23      VAL   5   4.086   1.630  -0.491
   33    HA   PRO   6           HA       PRO   6   9.022  -2.338  -0.633
   34    HB2  PRO   6           HB2      PRO   6  10.208  -1.267  -2.828
   35    HB3  PRO   6           HB1      PRO   6   9.524  -2.897  -2.804
   36    HG2  PRO   6           HG2      PRO   6   8.340  -0.362  -3.869
   37    HG3  PRO   6           HG1      PRO   6   8.335  -1.984  -4.583
   38    HD2  PRO   6           HD2      PRO   6   6.198  -0.966  -3.269
   39    HD3  PRO   6           HD1      PRO   6   6.586  -2.698  -3.262
   40    H    TYR   7           H        TYR   7   8.122   0.709  -2.261
   41    HA   TYR   7           HA       TYR   7  10.065   2.189  -0.708
   42    HB2  TYR   7           HB2      TYR   7   9.395   4.103  -2.031
   43    HB3  TYR   7           HB1      TYR   7   9.621   2.721  -3.097
   44    HD1  TYR   7           HD2      TYR   7   7.179   5.024  -1.632
   45    HD2  TYR   7           HD1      TYR   7   7.731   1.696  -4.224
   46    HE1  TYR   7           HE2      TYR   7   4.912   5.352  -2.527
   47    HE2  TYR   7           HE1      TYR   7   5.466   2.016  -5.128
   48    HH   TYR   7           HH       TYR   7   3.238   3.131  -4.157
   49    HA   PRO   8           HA       PRO   8   7.357   3.291   2.585
   50    HB2  PRO   8           HB2      PRO   8   8.647   5.516   3.454
   51    HB3  PRO   8           HB1      PRO   8   9.254   3.880   3.740
   52    HG2  PRO   8           HG2      PRO   8  10.067   5.864   1.651
   53    HG3  PRO   8           HG1      PRO   8  11.085   4.807   2.646
   54    HD2  PRO   8           HD2      PRO   8  10.459   4.229   0.076
   55    HD3  PRO   8           HD1      PRO   8  10.707   2.971   1.304
   56    HA   PRO   9           HA       PRO   9   6.170   4.279   4.097
   57    HB2  PRO   9           HB2      PRO   9   3.460   4.133   4.179
   58    HB3  PRO   9           HB1      PRO   9   4.363   5.556   4.715
   59    HG2  PRO   9           HG2      PRO   9   2.963   5.069   2.114
   60    HG3  PRO   9           HG1      PRO   9   2.981   6.530   3.119
   61    HD2  PRO   9           HD2      PRO   9   4.524   6.263   0.910
   62    HD3  PRO   9           HD1      PRO   9   5.037   7.203   2.326
   63    H    PHE  10           H        PHE  10   5.711   2.125   4.565
   64    HA   PHE  10           HA       PHE  10   5.628   0.361   2.320
   65    HB2  PHE  10           HB2      PHE  10   5.447  -0.241   5.281
   66    HB3  PHE  10           HB1      PHE  10   5.707  -1.435   4.013
   67    HD1  PHE  10           HD1      PHE  10   7.612   0.175   2.315
   68    HD2  PHE  10           HD2      PHE  10   7.428  -0.507   6.513
   69    HE1  PHE  10           HE1      PHE  10  10.041   0.532   2.477
   70    HE2  PHE  10           HE2      PHE  10   9.856  -0.150   6.681
   71    HZ   PHE  10           HZ       PHE  10  11.166   0.371   4.662
   72    H    PHE  11           H        PHE  11   3.237   1.982   3.968
   73    HA   PHE  11           HA       PHE  11   1.226  -0.081   3.363
   74    HB2  PHE  11           HB2      PHE  11  -0.238   1.361   4.907
   75    HB3  PHE  11           HB1      PHE  11   1.041   0.411   5.656
   76    HD1  PHE  11           HD2      PHE  11   3.072   1.502   6.489
   77    HD2  PHE  11           HD1      PHE  11  -0.188   3.744   4.923
   78    HE1  PHE  11           HE2      PHE  11   3.977   3.538   7.533
   79    HE2  PHE  11           HE1      PHE  11   0.711   5.785   5.963
   80    HZ   PHE  11           HZ       PHE  11   2.795   5.683   7.271
   81    H    THR  12           H        THR  12   0.162   0.251   1.537
   82    HA   THR  12           HA       THR  12  -0.449   3.025   0.747
   83    HB   THR  12           HB       THR  12  -0.445   2.097  -1.643
   84    HG1  THR  12           HG1      THR  12  -0.133  -0.154  -0.566
   85   HG21  THR  12          HG21      THR  12   2.192   2.217  -0.175
   86   HG22  THR  12          HG22      THR  12   1.278   3.617  -0.734
   87   HG23  THR  12          HG23      THR  12   1.939   2.473  -1.901
   88    H    CYS  13           H        CYS  13  -2.481   3.445  -0.056
   89    HA   CYS  13           HA       CYS  13  -4.381   1.197  -0.117
   90    HB2  CYS  13           HB2      CYS  13  -4.867   3.919   1.113
   91    HB3  CYS  13           HB1      CYS  13  -6.073   2.648   0.942
   92    H    ASP  14           H        ASP  14  -6.345   1.641  -1.355
   93    HA   ASP  14           HA       ASP  14  -5.710   2.980  -3.820
   94    HB2  ASP  14           HB2      ASP  14  -7.919   1.243  -2.830
   95    HB3  ASP  14           HB1      ASP  14  -8.254   2.286  -4.210
   96    HA   PRO  15           HA       PRO  15  -7.682   6.851  -3.230
   97    HB2  PRO  15           HB2      PRO  15  -8.878   7.276  -5.630
   98    HB3  PRO  15           HB1      PRO  15  -7.127   7.360  -5.401
   99    HG2  PRO  15           HG2      PRO  15  -8.789   5.121  -6.489
  100    HG3  PRO  15           HG1      PRO  15  -7.239   5.751  -7.076
  101    HD2  PRO  15           HD2      PRO  15  -7.425   3.503  -5.579
  102    HD3  PRO  15           HD1      PRO  15  -6.026   4.593  -5.494
  103    H    ASN  16           H        ASN  16  -9.820   4.500  -4.841
  104    HA   ASN  16           HA       ASN  16 -12.257   5.706  -4.272
  105    HB2  ASN  16           HB2      ASN  16 -11.824   2.718  -4.292
  106    HB3  ASN  16           HB1      ASN  16 -13.276   3.603  -4.752
  107   HD21  ASN  16          HD21      ASN  16 -10.873   1.867  -5.979
  108   HD22  ASN  16          HD22      ASN  16 -10.710   2.594  -7.537
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -9.685  -1.794   0.637
    2    HA2  GLY   1           HA2      GLY   1  -7.969  -3.375  -0.755
    3    HA3  GLY   1           HA1      GLY   1  -8.498  -1.806  -1.345
    4    H    CYS   2           H        CYS   2  -6.386  -2.602   1.394
    5    HA   CYS   2           HA       CYS   2  -4.319  -0.909   0.162
    6    HB2  CYS   2           HB2      CYS   2  -4.485  -1.742   3.060
    7    HB3  CYS   2           HB1      CYS   2  -3.485  -0.472   2.362
    8    H    TYR   3           H        TYR   3  -2.226  -1.625  -0.054
    9    HA   TYR   3           HA       TYR   3  -1.608  -4.362   0.787
   10    HB2  TYR   3           HB2      TYR   3  -0.510  -4.666  -1.519
   11    HB3  TYR   3           HB1      TYR   3  -2.263  -4.794  -1.428
   12    HD1  TYR   3           HD1      TYR   3  -3.688  -2.989  -2.311
   13    HD2  TYR   3           HD2      TYR   3   0.545  -2.882  -2.728
   14    HE1  TYR   3           HE1      TYR   3  -3.909  -1.257  -4.041
   15    HE2  TYR   3           HE2      TYR   3   0.335  -1.148  -4.461
   16    HH   TYR   3           HH       TYR   3  -1.327   0.598  -5.126
   17    HA   PRO   4           HA       PRO   4   2.340  -2.765   1.843
   18    HB2  PRO   4           HB2      PRO   4   3.945  -4.899   1.347
   19    HB3  PRO   4           HB1      PRO   4   2.821  -4.838   2.711
   20    HG2  PRO   4           HG2      PRO   4   2.500  -6.173   0.051
   21    HG3  PRO   4           HG1      PRO   4   2.083  -6.779   1.664
   22    HD2  PRO   4           HD2      PRO   4   0.237  -5.746  -0.026
   23    HD3  PRO   4           HD1      PRO   4   0.109  -5.591   1.738
   24    H    VAL   5           H        VAL   5   4.202  -1.856   0.991
   25    HA   VAL   5           HA       VAL   5   4.772  -2.316  -1.850
   26    HB   VAL   5           HB       VAL   5   5.110   0.164  -2.130
   27   HG11  VAL   5          HG11      VAL   5   3.004  -1.296  -2.714
   28   HG12  VAL   5          HG12      VAL   5   2.239  -0.294  -1.478
   29   HG13  VAL   5          HG13      VAL   5   2.969   0.458  -2.897
   30   HG21  VAL   5          HG21      VAL   5   3.481   0.320   0.405
   31   HG22  VAL   5          HG22      VAL   5   5.199   0.698   0.281
   32   HG23  VAL   5          HG23      VAL   5   4.017   1.674  -0.590
   33    HA   PRO   6           HA       PRO   6   8.996  -2.261  -0.656
   34    HB2  PRO   6           HB2      PRO   6  10.165  -1.241  -2.884
   35    HB3  PRO   6           HB1      PRO   6   9.492  -2.874  -2.815
   36    HG2  PRO   6           HG2      PRO   6   8.288  -0.375  -3.940
   37    HG3  PRO   6           HG1      PRO   6   8.290  -2.016  -4.612
   38    HD2  PRO   6           HD2      PRO   6   6.153  -0.976  -3.314
   39    HD3  PRO   6           HD1      PRO   6   6.552  -2.705  -3.265
   40    H    TYR   7           H        TYR   7   8.074   0.736  -2.363
   41    HA   TYR   7           HA       TYR   7  10.020   2.272  -0.874
   42    HB2  TYR   7           HB2      TYR   7   9.263   4.160  -2.213
   43    HB3  TYR   7           HB1      TYR   7   9.554   2.768  -3.248
   44    HD1  TYR   7           HD2      TYR   7   6.997   4.973  -1.821
   45    HD2  TYR   7           HD1      TYR   7   7.726   1.654  -4.382
   46    HE1  TYR   7           HE2      TYR   7   4.722   5.184  -2.733
   47    HE2  TYR   7           HE1      TYR   7   5.454   1.856  -5.301
   48    HH   TYR   7           HH       TYR   7   3.330   4.520  -4.380
   49    HA   PRO   8           HA       PRO   8   7.371   3.425   2.450
   50    HB2  PRO   8           HB2      PRO   8   8.648   5.689   3.232
   51    HB3  PRO   8           HB1      PRO   8   9.284   4.071   3.546
   52    HG2  PRO   8           HG2      PRO   8  10.022   6.011   1.389
   53    HG3  PRO   8           HG1      PRO   8  11.076   4.994   2.387
   54    HD2  PRO   8           HD2      PRO   8  10.401   4.341  -0.153
   55    HD3  PRO   8           HD1      PRO   8  10.696   3.119   1.100
   56    HA   PRO   9           HA       PRO   9   6.189   4.416   3.951
   57    HB2  PRO   9           HB2      PRO   9   3.484   4.225   4.079
   58    HB3  PRO   9           HB1      PRO   9   4.369   5.673   4.573
   59    HG2  PRO   9           HG2      PRO   9   2.938   5.113   2.004
   60    HG3  PRO   9           HG1      PRO   9   2.945   6.592   2.981
   61    HD2  PRO   9           HD2      PRO   9   4.460   6.309   0.754
   62    HD3  PRO   9           HD1      PRO   9   4.977   7.285   2.143
   63    H    PHE  10           H        PHE  10   5.696   2.269   4.494
   64    HA   PHE  10           HA       PHE  10   5.624   0.458   2.272
   65    HB2  PHE  10           HB2      PHE  10   5.535  -0.088   5.247
   66    HB3  PHE  10           HB1      PHE  10   5.777  -1.303   3.996
   67    HD1  PHE  10           HD2      PHE  10   7.609   0.294   2.213
   68    HD2  PHE  10           HD1      PHE  10   7.553  -0.293   6.428
   69    HE1  PHE  10           HE2      PHE  10  10.036   0.690   2.296
   70    HE2  PHE  10           HE1      PHE  10   9.980   0.102   6.519
   71    HZ   PHE  10           HZ       PHE  10  11.225   0.593   4.452
   72    H    PHE  11           H        PHE  11   3.245   2.107   3.855
   73    HA   PHE  11           HA       PHE  11   1.257  -0.022   3.433
   74    HB2  PHE  11           HB2      PHE  11  -0.206   1.511   4.887
   75    HB3  PHE  11           HB1      PHE  11   1.098   0.638   5.686
   76    HD1  PHE  11           HD2      PHE  11   3.123   1.818   6.404
   77    HD2  PHE  11           HD1      PHE  11  -0.193   3.889   4.721
   78    HE1  PHE  11           HE2      PHE  11   4.009   3.940   7.278
   79    HE2  PHE  11           HE1      PHE  11   0.690   6.015   5.591
   80    HZ   PHE  11           HZ       PHE  11   2.792   6.042   6.872
   81    H    THR  12           H        THR  12   0.160   0.157   1.605
   82    HA   THR  12           HA       THR  12  -0.466   2.855   0.595
   83    HB   THR  12           HB       THR  12   0.084   0.366  -1.033
   84    HG1  THR  12           HG1      THR  12   1.523   2.820  -0.809
   85   HG21  THR  12          HG21      THR  12  -0.939   3.087  -1.758
   86   HG22  THR  12          HG22      THR  12  -1.497   1.504  -2.300
   87   HG23  THR  12          HG23      THR  12   0.021   2.161  -2.910
   88    H    CYS  13           H        CYS  13  -2.549   3.307   0.211
   89    HA   CYS  13           HA       CYS  13  -4.476   1.078   0.307
   90    HB2  CYS  13           HB2      CYS  13  -4.611   3.847   1.476
   91    HB3  CYS  13           HB1      CYS  13  -6.075   2.927   1.150
   92    H    ASP  14           H        ASP  14  -6.612   1.660  -0.738
   93    HA   ASP  14           HA       ASP  14  -6.114   3.192  -3.207
   94    HB2  ASP  14           HB2      ASP  14  -6.299   0.849  -3.744
   95    HB3  ASP  14           HB1      ASP  14  -7.773   0.699  -2.793
   96    HA   PRO  15           HA       PRO  15  -9.540   5.320  -0.964
   97    HB2  PRO  15           HB2      PRO  15  -8.727   7.818  -1.651
   98    HB3  PRO  15           HB1      PRO  15  -8.092   6.952  -0.245
   99    HG2  PRO  15           HG2      PRO  15  -6.897   7.275  -2.972
  100    HG3  PRO  15           HG1      PRO  15  -6.112   7.385  -1.386
  101    HD2  PRO  15           HD2      PRO  15  -5.953   5.173  -2.940
  102    HD3  PRO  15           HD1      PRO  15  -5.951   5.096  -1.166
  103    H    ASN  16           H        ASN  16  -8.327   5.347  -4.212
  104    HA   ASN  16           HA       ASN  16 -10.440   6.907  -5.345
  105    HB2  ASN  16           HB2      ASN  16  -8.765   4.936  -6.883
  106    HB3  ASN  16           HB1      ASN  16  -9.459   6.458  -7.435
  107   HD21  ASN  16          HD21      ASN  16  -8.693   8.212  -5.534
  108   HD22  ASN  16          HD22      ASN  16  -6.971   8.339  -5.489
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -9.738  -1.399  -0.830
    2    HA2  GLY   1           HA2      GLY   1  -7.940  -3.292  -0.332
    3    HA3  GLY   1           HA1      GLY   1  -7.940  -2.455  -1.877
    4    H    CYS   2           H        CYS   2  -6.310  -2.926   1.118
    5    HA   CYS   2           HA       CYS   2  -4.205  -1.049   0.261
    6    HB2  CYS   2           HB2      CYS   2  -4.846  -1.962   3.074
    7    HB3  CYS   2           HB1      CYS   2  -3.576  -0.831   2.620
    8    H    TYR   3           H        TYR   3  -2.176  -1.802   0.006
    9    HA   TYR   3           HA       TYR   3  -1.517  -4.480   0.994
   10    HB2  TYR   3           HB2      TYR   3  -0.393  -4.880  -1.287
   11    HB3  TYR   3           HB1      TYR   3  -2.143  -5.042  -1.198
   12    HD1  TYR   3           HD1      TYR   3   0.629  -2.989  -2.448
   13    HD2  TYR   3           HD2      TYR   3  -3.597  -3.465  -2.315
   14    HE1  TYR   3           HE1      TYR   3   0.394  -1.354  -4.270
   15    HE2  TYR   3           HE2      TYR   3  -3.843  -1.832  -4.138
   16    HH   TYR   3           HH       TYR   3  -1.260  -0.795  -6.039
   17    HA   PRO   4           HA       PRO   4   2.393  -2.759   1.992
   18    HB2  PRO   4           HB2      PRO   4   4.042  -4.883   1.616
   19    HB3  PRO   4           HB1      PRO   4   2.908  -4.775   2.968
   20    HG2  PRO   4           HG2      PRO   4   2.631  -6.248   0.376
   21    HG3  PRO   4           HG1      PRO   4   2.212  -6.779   2.016
   22    HD2  PRO   4           HD2      PRO   4   0.360  -5.869   0.263
   23    HD3  PRO   4           HD1      PRO   4   0.216  -5.628   2.016
   24    H    VAL   5           H        VAL   5   4.251  -1.864   1.109
   25    HA   VAL   5           HA       VAL   5   4.846  -2.454  -1.703
   26    HB   VAL   5           HB       VAL   5   5.145   0.015  -2.103
   27   HG11  VAL   5          HG11      VAL   5   2.941   0.309  -2.801
   28   HG12  VAL   5          HG12      VAL   5   3.122  -1.445  -2.740
   29   HG13  VAL   5          HG13      VAL   5   2.288  -0.598  -1.437
   30   HG21  VAL   5          HG21      VAL   5   3.543   0.233   0.444
   31   HG22  VAL   5          HG22      VAL   5   5.225   0.722   0.238
   32   HG23  VAL   5          HG23      VAL   5   3.948   1.563  -0.641
   33    HA   PRO   6           HA       PRO   6   9.061  -2.267  -0.490
   34    HB2  PRO   6           HB2      PRO   6  10.228  -1.333  -2.757
   35    HB3  PRO   6           HB1      PRO   6   9.582  -2.973  -2.613
   36    HG2  PRO   6           HG2      PRO   6   8.343  -0.552  -3.864
   37    HG3  PRO   6           HG1      PRO   6   8.378  -2.223  -4.456
   38    HD2  PRO   6           HD2      PRO   6   6.215  -1.159  -3.223
   39    HD3  PRO   6           HD1      PRO   6   6.642  -2.877  -3.088
   40    H    TYR   7           H        TYR   7   8.094   0.629  -2.339
   41    HA   TYR   7           HA       TYR   7  10.007   2.268  -0.922
   42    HB2  TYR   7           HB2      TYR   7   9.223   4.076  -2.348
   43    HB3  TYR   7           HB1      TYR   7   9.523   2.641  -3.320
   44    HD1  TYR   7           HD1      TYR   7   6.902   4.788  -1.867
   45    HD2  TYR   7           HD2      TYR   7   7.748   1.552  -4.495
   46    HE1  TYR   7           HE1      TYR   7   4.620   4.935  -2.771
   47    HE2  TYR   7           HE2      TYR   7   5.468   1.689  -5.407
   48    HH   TYR   7           HH       TYR   7   3.615   3.035  -5.540
   49    HA   PRO   8           HA       PRO   8   7.338   3.524   2.349
   50    HB2  PRO   8           HB2      PRO   8   8.571   5.848   3.021
   51    HB3  PRO   8           HB1      PRO   8   9.239   4.259   3.409
   52    HG2  PRO   8           HG2      PRO   8   9.936   6.111   1.163
   53    HG3  PRO   8           HG1      PRO   8  11.012   5.162   2.205
   54    HD2  PRO   8           HD2      PRO   8  10.347   4.379  -0.300
   55    HD3  PRO   8           HD1      PRO   8  10.668   3.223   1.009
   56    HA   PRO   9           HA       PRO   9   6.132   4.552   3.800
   57    HB2  PRO   9           HB2      PRO   9   3.431   4.309   3.932
   58    HB3  PRO   9           HB1      PRO   9   4.283   5.796   4.364
   59    HG2  PRO   9           HG2      PRO   9   2.871   5.092   1.820
   60    HG3  PRO   9           HG1      PRO   9   2.844   6.613   2.730
   61    HD2  PRO   9           HD2      PRO   9   4.369   6.266   0.520
   62    HD3  PRO   9           HD1      PRO   9   4.863   7.313   1.865
   63    H    PHE  10           H        PHE  10   5.672   2.421   4.439
   64    HA   PHE  10           HA       PHE  10   5.641   0.514   2.294
   65    HB2  PHE  10           HB2      PHE  10   5.577   0.094   5.290
   66    HB3  PHE  10           HB1      PHE  10   5.845  -1.166   4.090
   67    HD1  PHE  10           HD1      PHE  10   7.632   0.394   2.234
   68    HD2  PHE  10           HD2      PHE  10   7.602  -0.009   6.471
   69    HE1  PHE  10           HE1      PHE  10  10.049   0.852   2.291
   70    HE2  PHE  10           HE2      PHE  10  10.018   0.450   6.535
   71    HZ   PHE  10           HZ       PHE  10  11.244   0.883   4.444
   72    H    PHE  11           H        PHE  11   3.233   2.179   3.808
   73    HA   PHE  11           HA       PHE  11   1.290  -0.010   3.486
   74    HB2  PHE  11           HB2      PHE  11  -0.198   1.540   4.894
   75    HB3  PHE  11           HB1      PHE  11   1.132   0.727   5.715
   76    HD1  PHE  11           HD1      PHE  11   3.136   1.979   6.370
   77    HD2  PHE  11           HD2      PHE  11  -0.245   3.909   4.650
   78    HE1  PHE  11           HE1      PHE  11   3.978   4.152   7.161
   79    HE2  PHE  11           HE2      PHE  11   0.591   6.085   5.437
   80    HZ   PHE  11           HZ       PHE  11   2.706   6.208   6.693
   81    H    THR  12           H        THR  12   0.180   0.080   1.660
   82    HA   THR  12           HA       THR  12  -0.418   2.721   0.498
   83    HB   THR  12           HB       THR  12  -0.096   0.072  -0.925
   84    HG1  THR  12           HG1      THR  12   1.788   1.494  -0.138
   85   HG21  THR  12          HG21      THR  12  -1.676   1.164  -2.223
   86   HG22  THR  12          HG22      THR  12  -0.166   1.718  -2.948
   87   HG23  THR  12          HG23      THR  12  -1.044   2.762  -1.830
   88    H    CYS  13           H        CYS  13  -2.482   3.148  -0.240
   89    HA   CYS  13           HA       CYS  13  -4.527   1.082   0.126
   90    HB2  CYS  13           HB2      CYS  13  -4.459   3.774   1.471
   91    HB3  CYS  13           HB1      CYS  13  -5.979   2.935   1.181
   92    H    ASP  14           H        ASP  14  -6.494   1.488  -1.015
   93    HA   ASP  14           HA       ASP  14  -6.146   3.377  -3.248
   94    HB2  ASP  14           HB2      ASP  14  -6.225   0.910  -3.790
   95    HB3  ASP  14           HB1      ASP  14  -7.897   0.915  -3.232
   96    HA   PRO  15           HA       PRO  15  -9.686   5.023  -0.789
   97    HB2  PRO  15           HB2      PRO  15  -9.034   7.628  -1.190
   98    HB3  PRO  15           HB1      PRO  15  -8.339   6.653   0.110
   99    HG2  PRO  15           HG2      PRO  15  -7.180   7.351  -2.561
  100    HG3  PRO  15           HG1      PRO  15  -6.395   7.334  -0.971
  101    HD2  PRO  15           HD2      PRO  15  -6.106   5.323  -2.762
  102    HD3  PRO  15           HD1      PRO  15  -6.092   5.048  -1.008
  103    H    ASN  16           H        ASN  16  -8.429   5.728  -3.984
  104    HA   ASN  16           HA       ASN  16 -10.794   7.082  -4.889
  105    HB2  ASN  16           HB2      ASN  16  -8.583   7.561  -5.865
  106    HB3  ASN  16           HB1      ASN  16  -8.499   5.910  -6.477
  107   HD21  ASN  16          HD21      ASN  16 -10.668   8.717  -6.534
  108   HD22  ASN  16          HD22      ASN  16 -11.110   8.555  -8.197
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -9.417  -3.095  -0.290
    2    HA2  GLY   1           HA2      GLY   1  -7.582  -3.220  -1.760
    3    HA3  GLY   1           HA1      GLY   1  -8.204  -1.607  -2.076
    4    H    CYS   2           H        CYS   2  -6.235  -3.099   0.500
    5    HA   CYS   2           HA       CYS   2  -4.169  -1.078  -0.031
    6    HB2  CYS   2           HB2      CYS   2  -5.669  -0.556   1.989
    7    HB3  CYS   2           HB1      CYS   2  -4.888  -1.929   2.768
    8    H    TYR   3           H        TYR   3  -2.167  -1.877  -0.167
    9    HA   TYR   3           HA       TYR   3  -1.557  -4.449   1.094
   10    HB2  TYR   3           HB2      TYR   3  -0.304  -5.045  -1.073
   11    HB3  TYR   3           HB1      TYR   3  -2.057  -5.210  -1.070
   12    HD1  TYR   3           HD2      TYR   3   0.769  -3.200  -2.297
   13    HD2  TYR   3           HD1      TYR   3  -3.439  -3.812  -2.451
   14    HE1  TYR   3           HE2      TYR   3   0.634  -1.736  -4.269
   15    HE2  TYR   3           HE1      TYR   3  -3.585  -2.351  -4.425
   16    HH   TYR   3           HH       TYR   3  -1.432  -1.661  -6.364
   17    HA   PRO   4           HA       PRO   4   2.286  -2.613   2.151
   18    HB2  PRO   4           HB2      PRO   4   3.959  -4.750   2.063
   19    HB3  PRO   4           HB1      PRO   4   2.750  -4.529   3.333
   20    HG2  PRO   4           HG2      PRO   4   2.624  -6.233   0.875
   21    HG3  PRO   4           HG1      PRO   4   2.116  -6.617   2.529
   22    HD2  PRO   4           HD2      PRO   4   0.364  -5.884   0.600
   23    HD3  PRO   4           HD1      PRO   4   0.119  -5.486   2.313
   24    H    VAL   5           H        VAL   5   4.208  -1.809   1.305
   25    HA   VAL   5           HA       VAL   5   4.945  -2.631  -1.413
   26    HB   VAL   5           HB       VAL   5   5.288  -0.206  -1.997
   27   HG11  VAL   5          HG11      VAL   5   2.387  -0.613  -1.455
   28   HG12  VAL   5          HG12      VAL   5   3.192  -0.037  -2.916
   29   HG13  VAL   5          HG13      VAL   5   3.227  -1.752  -2.506
   30   HG21  VAL   5          HG21      VAL   5   4.023   1.461  -0.730
   31   HG22  VAL   5          HG22      VAL   5   3.568   0.228   0.444
   32   HG23  VAL   5          HG23      VAL   5   5.258   0.698   0.271
   33    HA   PRO   6           HA       PRO   6   9.092  -2.371   0.003
   34    HB2  PRO   6           HB2      PRO   6  10.385  -1.635  -2.268
   35    HB3  PRO   6           HB1      PRO   6   9.715  -3.253  -2.025
   36    HG2  PRO   6           HG2      PRO   6   8.569  -0.937  -3.534
   37    HG3  PRO   6           HG1      PRO   6   8.617  -2.651  -3.984
   38    HD2  PRO   6           HD2      PRO   6   6.404  -1.476  -2.959
   39    HD3  PRO   6           HD1      PRO   6   6.806  -3.179  -2.660
   40    H    TYR   7           H        TYR   7   8.256   0.368  -2.128
   41    HA   TYR   7           HA       TYR   7  10.113   2.108  -0.766
   42    HB2  TYR   7           HB2      TYR   7   9.414   3.795  -2.363
   43    HB3  TYR   7           HB1      TYR   7   9.712   2.280  -3.208
   44    HD1  TYR   7           HD2      TYR   7   7.865   1.005  -4.166
   45    HD2  TYR   7           HD1      TYR   7   7.182   4.713  -2.197
   46    HE1  TYR   7           HE2      TYR   7   5.617   1.109  -5.156
   47    HE2  TYR   7           HE1      TYR   7   4.930   4.828  -3.181
   48    HH   TYR   7           HH       TYR   7   3.940   2.910  -5.731
   49    HA   PRO   8           HA       PRO   8   7.321   3.614   2.292
   50    HB2  PRO   8           HB2      PRO   8   8.566   5.960   2.860
   51    HB3  PRO   8           HB1      PRO   8   9.186   4.390   3.386
   52    HG2  PRO   8           HG2      PRO   8  10.019   6.071   1.053
   53    HG3  PRO   8           HG1      PRO   8  11.029   5.180   2.207
   54    HD2  PRO   8           HD2      PRO   8  10.463   4.235  -0.266
   55    HD3  PRO   8           HD1      PRO   8  10.702   3.168   1.132
   56    HA   PRO   9           HA       PRO   9   6.052   4.735   3.600
   57    HB2  PRO   9           HB2      PRO   9   3.344   4.531   3.599
   58    HB3  PRO   9           HB1      PRO   9   4.194   6.031   3.985
   59    HG2  PRO   9           HG2      PRO   9   2.911   5.189   1.415
   60    HG3  PRO   9           HG1      PRO   9   2.857   6.763   2.230
   61    HD2  PRO   9           HD2      PRO   9   4.494   6.263   0.131
   62    HD3  PRO   9           HD1      PRO   9   4.929   7.386   1.436
   63    H    PHE  10           H        PHE  10   5.509   2.654   4.345
   64    HA   PHE  10           HA       PHE  10   5.583   0.617   2.327
   65    HB2  PHE  10           HB2      PHE  10   5.314   0.386   5.331
   66    HB3  PHE  10           HB1      PHE  10   5.638  -0.950   4.232
   67    HD1  PHE  10           HD2      PHE  10   7.570   0.478   2.407
   68    HD2  PHE  10           HD1      PHE  10   7.256   0.321   6.649
   69    HE1  PHE  10           HE2      PHE  10   9.985   0.908   2.599
   70    HE2  PHE  10           HE1      PHE  10   9.671   0.751   6.847
   71    HZ   PHE  10           HZ       PHE  10  11.039   1.044   4.821
   72    H    PHE  11           H        PHE  11   3.110   2.408   3.565
   73    HA   PHE  11           HA       PHE  11   1.155   0.228   3.259
   74    HB2  PHE  11           HB2      PHE  11  -0.396   1.893   4.452
   75    HB3  PHE  11           HB1      PHE  11   0.859   1.122   5.416
   76    HD1  PHE  11           HD2      PHE  11   2.837   2.390   6.119
   77    HD2  PHE  11           HD1      PHE  11  -0.382   4.240   4.038
   78    HE1  PHE  11           HE2      PHE  11   3.664   4.603   6.813
   79    HE2  PHE  11           HE1      PHE  11   0.440   6.454   4.726
   80    HZ   PHE  11           HZ       PHE  11   2.464   6.638   6.117
   81    H    THR  12           H        THR  12   0.172   0.202   1.360
   82    HA   THR  12           HA       THR  12  -0.408   2.775   0.038
   83    HB   THR  12           HB       THR  12   0.248   0.146  -1.308
   84    HG1  THR  12           HG1      THR  12   1.709   2.595  -1.245
   85   HG21  THR  12          HG21      THR  12  -1.010   2.606  -2.252
   86   HG22  THR  12          HG22      THR  12  -0.933   1.013  -3.006
   87   HG23  THR  12          HG23      THR  12   0.407   2.143  -3.192
   88    H    CYS  13           H        CYS  13  -2.518   3.152   0.209
   89    HA   CYS  13           HA       CYS  13  -4.377   0.900  -0.191
   90    HB2  CYS  13           HB2      CYS  13  -5.000   3.426   1.339
   91    HB3  CYS  13           HB1      CYS  13  -5.930   1.930   1.299
   92    H    ASP  14           H        ASP  14  -6.427   1.436  -1.213
   93    HA   ASP  14           HA       ASP  14  -6.159   3.686  -3.099
   94    HB2  ASP  14           HB2      ASP  14  -6.125   1.173  -3.899
   95    HB3  ASP  14           HB1      ASP  14  -7.871   1.314  -3.719
   96    HA   PRO  15           HA       PRO  15  -9.873   4.564  -0.503
   97    HB2  PRO  15           HB2      PRO  15  -9.436   7.241  -0.402
   98    HB3  PRO  15           HB1      PRO  15  -8.685   6.102   0.722
   99    HG2  PRO  15           HG2      PRO  15  -7.540   7.371  -1.735
  100    HG3  PRO  15           HG1      PRO  15  -6.786   7.123  -0.150
  101    HD2  PRO  15           HD2      PRO  15  -6.294   5.506  -2.265
  102    HD3  PRO  15           HD1      PRO  15  -6.289   4.916  -0.591
  103    H    ASN  16           H        ASN  16  -8.608   6.047  -3.434
  104    HA   ASN  16           HA       ASN  16 -11.255   7.031  -4.169
  105    HB2  ASN  16           HB2      ASN  16  -9.070   8.352  -4.488
  106    HB3  ASN  16           HB1      ASN  16  -8.760   7.269  -5.841
  107   HD21  ASN  16          HD21      ASN  16  -9.101   8.399  -7.616
  108   HD22  ASN  16          HD22      ASN  16 -10.499   9.358  -7.951
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -9.184  -1.616  -0.298
    2    HA2  GLY   1           HA2      GLY   1  -7.484  -3.351  -1.889
    3    HA3  GLY   1           HA1      GLY   1  -8.000  -1.724  -2.306
    4    H    CYS   2           H        CYS   2  -6.430  -2.713   0.693
    5    HA   CYS   2           HA       CYS   2  -4.175  -0.957  -0.014
    6    HB2  CYS   2           HB2      CYS   2  -5.666  -0.415   2.007
    7    HB3  CYS   2           HB1      CYS   2  -4.905  -1.799   2.784
    8    H    TYR   3           H        TYR   3  -2.185  -1.785  -0.152
    9    HA   TYR   3           HA       TYR   3  -1.613  -4.368   1.107
   10    HB2  TYR   3           HB2      TYR   3  -0.370  -4.980  -1.061
   11    HB3  TYR   3           HB1      TYR   3  -2.125  -5.120  -1.059
   12    HD1  TYR   3           HD2      TYR   3   0.738  -3.204  -2.323
   13    HD2  TYR   3           HD1      TYR   3  -3.493  -3.645  -2.397
   14    HE1  TYR   3           HE2      TYR   3   0.626  -1.737  -4.293
   15    HE2  TYR   3           HE1      TYR   3  -3.617  -2.180  -4.370
   16    HH   TYR   3           HH       TYR   3  -1.223  -0.183  -5.329
   17    HA   PRO   4           HA       PRO   4   2.257  -2.591   2.165
   18    HB2  PRO   4           HB2      PRO   4   3.897  -4.752   2.074
   19    HB3  PRO   4           HB1      PRO   4   2.692  -4.514   3.345
   20    HG2  PRO   4           HG2      PRO   4   2.541  -6.214   0.885
   21    HG3  PRO   4           HG1      PRO   4   2.027  -6.592   2.540
   22    HD2  PRO   4           HD2      PRO   4   0.285  -5.831   0.611
   23    HD3  PRO   4           HD1      PRO   4   0.048  -5.430   2.324
   24    H    VAL   5           H        VAL   5   4.191  -1.814   1.319
   25    HA   VAL   5           HA       VAL   5   4.913  -2.646  -1.400
   26    HB   VAL   5           HB       VAL   5   5.294  -0.224  -1.982
   27   HG11  VAL   5          HG11      VAL   5   3.222  -1.731  -2.514
   28   HG12  VAL   5          HG12      VAL   5   2.387  -0.612  -1.434
   29   HG13  VAL   5          HG13      VAL   5   3.189  -0.007  -2.885
   30   HG21  VAL   5          HG21      VAL   5   3.625   0.205   0.494
   31   HG22  VAL   5          HG22      VAL   5   5.293   0.720   0.246
   32   HG23  VAL   5          HG23      VAL   5   3.996   1.445  -0.705
   33    HA   PRO   6           HA       PRO   6   9.065  -2.448   0.015
   34    HB2  PRO   6           HB2      PRO   6  10.368  -1.730  -2.255
   35    HB3  PRO   6           HB1      PRO   6   9.675  -3.338  -2.013
   36    HG2  PRO   6           HG2      PRO   6   8.563  -1.003  -3.520
   37    HG3  PRO   6           HG1      PRO   6   8.585  -2.717  -3.972
   38    HD2  PRO   6           HD2      PRO   6   6.390  -1.510  -2.945
   39    HD3  PRO   6           HD1      PRO   6   6.767  -3.219  -2.648
   40    H    TYR   7           H        TYR   7   8.269   0.305  -2.113
   41    HA   TYR   7           HA       TYR   7  10.154   2.016  -0.748
   42    HB2  TYR   7           HB2      TYR   7   9.438   3.728  -2.336
   43    HB3  TYR   7           HB1      TYR   7   9.790   2.222  -3.177
   44    HD1  TYR   7           HD2      TYR   7   7.115   4.496  -2.077
   45    HD2  TYR   7           HD1      TYR   7   8.060   1.005  -4.317
   46    HE1  TYR   7           HE2      TYR   7   4.882   4.560  -3.108
   47    HE2  TYR   7           HE1      TYR   7   5.831   1.059  -5.355
   48    HH   TYR   7           HH       TYR   7   3.351   3.250  -4.265
   49    HA   PRO   8           HA       PRO   8   7.384   3.561   2.310
   50    HB2  PRO   8           HB2      PRO   8   8.663   5.886   2.881
   51    HB3  PRO   8           HB1      PRO   8   9.261   4.308   3.406
   52    HG2  PRO   8           HG2      PRO   8  10.118   5.977   1.074
   53    HG3  PRO   8           HG1      PRO   8  11.114   5.071   2.228
   54    HD2  PRO   8           HD2      PRO   8  10.535   4.137  -0.247
   55    HD3  PRO   8           HD1      PRO   8  10.758   3.065   1.150
   56    HA   PRO   9           HA       PRO   9   6.132   4.699   3.620
   57    HB2  PRO   9           HB2      PRO   9   3.421   4.535   3.619
   58    HB3  PRO   9           HB1      PRO   9   4.293   6.023   4.006
   59    HG2  PRO   9           HG2      PRO   9   2.998   5.203   1.435
   60    HG3  PRO   9           HG1      PRO   9   2.967   6.776   2.251
   61    HD2  PRO   9           HD2      PRO   9   4.597   6.254   0.152
   62    HD3  PRO   9           HD1      PRO   9   5.049   7.369   1.458
   63    H    PHE  10           H        PHE  10   5.559   2.626   4.363
   64    HA   PHE  10           HA       PHE  10   5.601   0.590   2.342
   65    HB2  PHE  10           HB2      PHE  10   5.329   0.361   5.347
   66    HB3  PHE  10           HB1      PHE  10   5.633  -0.980   4.246
   67    HD1  PHE  10           HD2      PHE  10   7.587   0.421   2.423
   68    HD2  PHE  10           HD1      PHE  10   7.270   0.265   6.665
   69    HE1  PHE  10           HE2      PHE  10  10.007   0.815   2.615
   70    HE2  PHE  10           HE1      PHE  10   9.691   0.659   6.864
   71    HZ   PHE  10           HZ       PHE  10  11.063   0.933   4.837
   72    H    PHE  11           H        PHE  11   3.156   2.416   3.583
   73    HA   PHE  11           HA       PHE  11   1.168   0.266   3.277
   74    HB2  PHE  11           HB2      PHE  11  -0.358   1.955   4.470
   75    HB3  PHE  11           HB1      PHE  11   0.885   1.164   5.432
   76    HD1  PHE  11           HD2      PHE  11   2.882   2.401   6.138
   77    HD2  PHE  11           HD1      PHE  11  -0.308   4.301   4.057
   78    HE1  PHE  11           HE2      PHE  11   3.742   4.599   6.833
   79    HE2  PHE  11           HE1      PHE  11   0.548   6.502   4.747
   80    HZ   PHE  11           HZ       PHE  11   2.574   6.653   6.139
   81    H    THR  12           H        THR  12   0.184   0.258   1.377
   82    HA   THR  12           HA       THR  12  -0.357   2.838   0.057
   83    HB   THR  12           HB       THR  12   0.285   0.201  -1.276
   84    HG1  THR  12           HG1      THR  12   2.030   1.766  -2.099
   85   HG21  THR  12          HG21      THR  12   0.315   1.688  -3.347
   86   HG22  THR  12          HG22      THR  12  -0.558   2.872  -2.374
   87   HG23  THR  12          HG23      THR  12  -1.268   1.287  -2.681
   88    H    CYS  13           H        CYS  13  -2.461   3.248   0.228
   89    HA   CYS  13           HA       CYS  13  -4.353   1.024  -0.173
   90    HB2  CYS  13           HB2      CYS  13  -4.940   3.558   1.358
   91    HB3  CYS  13           HB1      CYS  13  -5.890   2.076   1.319
   92    H    ASP  14           H        ASP  14  -6.333   1.522  -1.275
   93    HA   ASP  14           HA       ASP  14  -6.105   3.854  -3.063
   94    HB2  ASP  14           HB2      ASP  14  -5.781   1.549  -4.106
   95    HB3  ASP  14           HB1      ASP  14  -7.488   1.269  -3.774
   96    HA   PRO  15           HA       PRO  15  -9.986   4.366  -0.622
   97    HB2  PRO  15           HB2      PRO  15  -9.733   7.058  -0.376
   98    HB3  PRO  15           HB1      PRO  15  -8.963   5.916   0.731
   99    HG2  PRO  15           HG2      PRO  15  -7.787   7.373  -1.604
  100    HG3  PRO  15           HG1      PRO  15  -7.095   7.095   0.004
  101    HD2  PRO  15           HD2      PRO  15  -6.398   5.618  -2.155
  102    HD3  PRO  15           HD1      PRO  15  -6.434   4.948  -0.512
  103    H    ASN  16           H        ASN  16  -8.692   5.901  -3.483
  104    HA   ASN  16           HA       ASN  16 -10.858   7.401  -4.337
  105    HB2  ASN  16           HB2      ASN  16  -8.460   7.035  -5.361
  106    HB3  ASN  16           HB1      ASN  16  -9.285   5.820  -6.333
  107   HD21  ASN  16          HD21      ASN  16  -8.145   8.736  -6.600
  108   HD22  ASN  16          HD22      ASN  16  -9.331   9.493  -7.602
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -9.599  -0.704  -1.241
    2    HA2  GLY   1           HA2      GLY   1  -8.164  -2.528   0.231
    3    HA3  GLY   1           HA1      GLY   1  -8.076  -2.404  -1.520
    4    H    CYS   2           H        CYS   2  -6.355  -2.184   1.346
    5    HA   CYS   2           HA       CYS   2  -4.219  -0.590   0.100
    6    HB2  CYS   2           HB2      CYS   2  -4.421  -1.383   3.007
    7    HB3  CYS   2           HB1      CYS   2  -3.377  -0.157   2.296
    8    H    TYR   3           H        TYR   3  -2.143  -1.384  -0.074
    9    HA   TYR   3           HA       TYR   3  -1.652  -4.142   0.781
   10    HB2  TYR   3           HB2      TYR   3  -0.531  -4.496  -1.506
   11    HB3  TYR   3           HB1      TYR   3  -2.289  -4.549  -1.444
   12    HD1  TYR   3           HD2      TYR   3  -3.618  -2.670  -2.336
   13    HD2  TYR   3           HD1      TYR   3   0.619  -2.775  -2.713
   14    HE1  TYR   3           HE2      TYR   3  -3.736  -0.934  -4.074
   15    HE2  TYR   3           HE1      TYR   3   0.513  -1.037  -4.451
   16    HH   TYR   3           HH       TYR   3  -1.526   0.952  -4.942
   17    HA   PRO   4           HA       PRO   4   2.341  -2.705   1.898
   18    HB2  PRO   4           HB2      PRO   4   3.865  -4.903   1.433
   19    HB3  PRO   4           HB1      PRO   4   2.725  -4.792   2.778
   20    HG2  PRO   4           HG2      PRO   4   2.391  -6.120   0.115
   21    HG3  PRO   4           HG1      PRO   4   1.924  -6.705   1.724
   22    HD2  PRO   4           HD2      PRO   4   0.149  -5.602   0.002
   23    HD3  PRO   4           HD1      PRO   4  -0.001  -5.438   1.763
   24    H    VAL   5           H        VAL   5   4.247  -1.866   1.074
   25    HA   VAL   5           HA       VAL   5   4.845  -2.359  -1.757
   26    HB   VAL   5           HB       VAL   5   5.280   0.099  -2.048
   27   HG11  VAL   5          HG11      VAL   5   3.140  -1.238  -2.682
   28   HG12  VAL   5          HG12      VAL   5   2.389  -0.295  -1.392
   29   HG13  VAL   5          HG13      VAL   5   3.126   0.524  -2.771
   30   HG21  VAL   5          HG21      VAL   5   4.173   1.649  -0.513
   31   HG22  VAL   5          HG22      VAL   5   3.711   0.299   0.523
   32   HG23  VAL   5          HG23      VAL   5   5.413   0.707   0.313
   33    HA   PRO   6           HA       PRO   6   9.048  -2.475  -0.496
   34    HB2  PRO   6           HB2      PRO   6  10.293  -1.513  -2.708
   35    HB3  PRO   6           HB1      PRO   6   9.552  -3.116  -2.644
   36    HG2  PRO   6           HG2      PRO   6   8.469  -0.574  -3.796
   37    HG3  PRO   6           HG1      PRO   6   8.415  -2.217  -4.462
   38    HD2  PRO   6           HD2      PRO   6   6.303  -1.085  -3.202
   39    HD3  PRO   6           HD1      PRO   6   6.628  -2.828  -3.140
   40    H    TYR   7           H        TYR   7   8.269   0.551  -2.220
   41    HA   TYR   7           HA       TYR   7  10.262   2.015  -0.726
   42    HB2  TYR   7           HB2      TYR   7   9.669   3.896  -2.090
   43    HB3  TYR   7           HB1      TYR   7   9.721   2.479  -3.133
   44    HD1  TYR   7           HD2      TYR   7   7.522   4.935  -1.508
   45    HD2  TYR   7           HD1      TYR   7   7.728   1.639  -4.190
   46    HE1  TYR   7           HE2      TYR   7   5.236   5.422  -2.272
   47    HE2  TYR   7           HE1      TYR   7   5.443   2.117  -4.963
   48    HH   TYR   7           HH       TYR   7   3.541   3.277  -4.481
   49    HA   PRO   8           HA       PRO   8   7.654   3.238   2.608
   50    HB2  PRO   8           HB2      PRO   8   9.038   5.424   3.426
   51    HB3  PRO   8           HB1      PRO   8   9.591   3.771   3.721
   52    HG2  PRO   8           HG2      PRO   8  10.437   5.701   1.594
   53    HG3  PRO   8           HG1      PRO   8  11.435   4.618   2.582
   54    HD2  PRO   8           HD2      PRO   8  10.740   4.034   0.031
   55    HD3  PRO   8           HD1      PRO   8  10.967   2.783   1.270
   56    HA   PRO   9           HA       PRO   9   6.487   4.236   4.098
   57    HB2  PRO   9           HB2      PRO   9   3.774   4.166   4.174
   58    HB3  PRO   9           HB1      PRO   9   4.714   5.561   4.718
   59    HG2  PRO   9           HG2      PRO   9   3.308   5.126   2.112
   60    HG3  PRO   9           HG1      PRO   9   3.363   6.581   3.124
   61    HD2  PRO   9           HD2      PRO   9   4.904   6.282   0.917
   62    HD3  PRO   9           HD1      PRO   9   5.439   7.201   2.340
   63    H    PHE  10           H        PHE  10   5.843   2.107   4.591
   64    HA   PHE  10           HA       PHE  10   5.736   0.354   2.317
   65    HB2  PHE  10           HB2      PHE  10   5.587  -0.271   5.273
   66    HB3  PHE  10           HB1      PHE  10   5.807  -1.454   3.989
   67    HD1  PHE  10           HD2      PHE  10   7.722   0.153   2.291
   68    HD2  PHE  10           HD1      PHE  10   7.578  -0.607   6.476
   69    HE1  PHE  10           HE2      PHE  10  10.159   0.460   2.426
   70    HE2  PHE  10           HE1      PHE  10  10.015  -0.301   6.619
   71    HZ   PHE  10           HZ       PHE  10  11.310   0.231   4.593
   72    H    PHE  11           H        PHE  11   3.419   2.088   3.866
   73    HA   PHE  11           HA       PHE  11   1.340   0.051   3.414
   74    HB2  PHE  11           HB2      PHE  11  -0.070   1.637   4.861
   75    HB3  PHE  11           HB1      PHE  11   1.187   0.707   5.669
   76    HD1  PHE  11           HD2      PHE  11   3.254   1.799   6.412
   77    HD2  PHE  11           HD1      PHE  11   0.042   4.012   4.710
   78    HE1  PHE  11           HE2      PHE  11   4.218   3.878   7.307
   79    HE2  PHE  11           HE1      PHE  11   1.001   6.096   5.601
   80    HZ   PHE  11           HZ       PHE  11   3.091   6.030   6.902
   81    H    THR  12           H        THR  12   0.268   0.291   1.579
   82    HA   THR  12           HA       THR  12  -0.227   3.022   0.582
   83    HB   THR  12           HB       THR  12   0.197   0.542  -1.096
   84    HG1  THR  12           HG1      THR  12   2.043   1.797   0.038
   85   HG21  THR  12          HG21      THR  12  -0.319   3.423  -1.830
   86   HG22  THR  12          HG22      THR  12  -1.326   2.025  -2.205
   87   HG23  THR  12          HG23      THR  12   0.253   2.205  -2.968
   88    H    CYS  13           H        CYS  13  -2.284   3.556   0.161
   89    HA   CYS  13           HA       CYS  13  -4.297   1.404   0.224
   90    HB2  CYS  13           HB2      CYS  13  -4.354   4.191   1.358
   91    HB3  CYS  13           HB1      CYS  13  -5.842   3.312   1.020
   92    H    ASP  14           H        ASP  14  -5.906   1.403  -1.294
   93    HA   ASP  14           HA       ASP  14  -5.697   3.445  -3.411
   94    HB2  ASP  14           HB2      ASP  14  -5.009   0.963  -3.877
   95    HB3  ASP  14           HB1      ASP  14  -6.748   0.687  -3.941
   96    HA   PRO  15           HA       PRO  15  -9.932   3.788  -1.621
   97    HB2  PRO  15           HB2      PRO  15 -10.044   6.490  -1.852
   98    HB3  PRO  15           HB1      PRO  15  -9.314   5.674  -0.465
   99    HG2  PRO  15           HG2      PRO  15  -7.990   6.872  -2.867
  100    HG3  PRO  15           HG1      PRO  15  -7.515   6.972  -1.162
  101    HD2  PRO  15           HD2      PRO  15  -6.334   5.271  -2.905
  102    HD3  PRO  15           HD1      PRO  15  -6.531   4.889  -1.182
  103    H    ASN  16           H        ASN  16 -11.742   5.362  -2.601
  104    HA   ASN  16           HA       ASN  16 -11.597   5.115  -5.533
  105    HB2  ASN  16           HB2      ASN  16 -14.047   4.659  -5.492
  106    HB3  ASN  16           HB1      ASN  16 -13.095   3.413  -4.690
  107   HD21  ASN  16          HD21      ASN  16 -15.843   5.095  -4.468
  108   HD22  ASN  16          HD22      ASN  16 -16.074   5.098  -2.755
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.763  -3.204   0.340
    2    HA2  GLY   1           HA2      GLY   1  -7.502  -3.858  -1.537
    3    HA3  GLY   1           HA1      GLY   1  -7.939  -2.351  -2.328
    4    H    CYS   2           H        CYS   2  -6.413  -3.019   0.817
    5    HA   CYS   2           HA       CYS   2  -4.216  -1.235   0.010
    6    HB2  CYS   2           HB2      CYS   2  -5.707  -0.668   2.030
    7    HB3  CYS   2           HB1      CYS   2  -4.876  -1.987   2.849
    8    H    TYR   3           H        TYR   3  -2.193  -1.994  -0.088
    9    HA   TYR   3           HA       TYR   3  -1.542  -4.522   1.240
   10    HB2  TYR   3           HB2      TYR   3  -0.274  -5.152  -0.908
   11    HB3  TYR   3           HB1      TYR   3  -2.024  -5.347  -0.906
   12    HD1  TYR   3           HD1      TYR   3   0.758  -3.249  -2.122
   13    HD2  TYR   3           HD2      TYR   3  -3.408  -4.076  -2.376
   14    HE1  TYR   3           HE1      TYR   3   0.607  -1.839  -4.132
   15    HE2  TYR   3           HE2      TYR   3  -3.570  -2.669  -4.387
   16    HH   TYR   3           HH       TYR   3  -2.502  -1.185  -5.687
   17    HA   PRO   4           HA       PRO   4   2.266  -2.595   2.260
   18    HB2  PRO   4           HB2      PRO   4   3.974  -4.706   2.232
   19    HB3  PRO   4           HB1      PRO   4   2.757  -4.470   3.493
   20    HG2  PRO   4           HG2      PRO   4   2.668  -6.240   1.080
   21    HG3  PRO   4           HG1      PRO   4   2.160  -6.589   2.743
   22    HD2  PRO   4           HD2      PRO   4   0.402  -5.936   0.789
   23    HD3  PRO   4           HD1      PRO   4   0.146  -5.498   2.491
   24    H    VAL   5           H        VAL   5   4.171  -1.773   1.395
   25    HA   VAL   5           HA       VAL   5   4.930  -2.657  -1.298
   26    HB   VAL   5           HB       VAL   5   5.229  -0.251  -1.955
   27   HG11  VAL   5          HG11      VAL   5   3.113  -0.116  -2.843
   28   HG12  VAL   5          HG12      VAL   5   3.187  -1.826  -2.412
   29   HG13  VAL   5          HG13      VAL   5   2.338  -0.687  -1.365
   30   HG21  VAL   5          HG21      VAL   5   3.578   0.213   0.526
   31   HG22  VAL   5          HG22      VAL   5   5.228   0.766   0.239
   32   HG23  VAL   5          HG23      VAL   5   3.900   1.424  -0.716
   33    HA   PRO   6           HA       PRO   6   9.069  -2.290   0.118
   34    HB2  PRO   6           HB2      PRO   6  10.356  -1.587  -2.166
   35    HB3  PRO   6           HB1      PRO   6   9.714  -3.209  -1.886
   36    HG2  PRO   6           HG2      PRO   6   8.531  -0.949  -3.452
   37    HG3  PRO   6           HG1      PRO   6   8.610  -2.673  -3.861
   38    HD2  PRO   6           HD2      PRO   6   6.374  -1.512  -2.869
   39    HD3  PRO   6           HD1      PRO   6   6.805  -3.200  -2.529
   40    H    TYR   7           H        TYR   7   8.185   0.384  -2.074
   41    HA   TYR   7           HA       TYR   7  10.013   2.188  -0.753
   42    HB2  TYR   7           HB2      TYR   7   9.275   3.827  -2.386
   43    HB3  TYR   7           HB1      TYR   7   9.614   2.302  -3.196
   44    HD1  TYR   7           HD2      TYR   7   6.958   4.604  -2.112
   45    HD2  TYR   7           HD1      TYR   7   7.862   1.049  -4.267
   46    HE1  TYR   7           HE2      TYR   7   4.708   4.640  -3.104
   47    HE2  TYR   7           HE1      TYR   7   5.616   1.075  -5.266
   48    HH   TYR   7           HH       TYR   7   3.615   3.731  -5.216
   49    HA   PRO   8           HA       PRO   8   7.191   3.701   2.274
   50    HB2  PRO   8           HB2      PRO   8   8.407   6.068   2.811
   51    HB3  PRO   8           HB1      PRO   8   9.043   4.514   3.364
   52    HG2  PRO   8           HG2      PRO   8   9.866   6.167   1.008
   53    HG3  PRO   8           HG1      PRO   8  10.880   5.305   2.180
   54    HD2  PRO   8           HD2      PRO   8  10.336   4.315  -0.281
   55    HD3  PRO   8           HD1      PRO   8  10.581   3.272   1.135
   56    HA   PRO   9           HA       PRO   9   5.892   4.812   3.553
   57    HB2  PRO   9           HB2      PRO   9   3.188   4.570   3.529
   58    HB3  PRO   9           HB1      PRO   9   4.013   6.087   3.907
   59    HG2  PRO   9           HG2      PRO   9   2.766   5.199   1.334
   60    HG3  PRO   9           HG1      PRO   9   2.682   6.780   2.130
   61    HD2  PRO   9           HD2      PRO   9   4.346   6.282   0.052
   62    HD3  PRO   9           HD1      PRO   9   4.753   7.424   1.349
   63    H    PHE  10           H        PHE  10   5.368   2.733   4.316
   64    HA   PHE  10           HA       PHE  10   5.484   0.676   2.317
   65    HB2  PHE  10           HB2      PHE  10   5.205   0.466   5.323
   66    HB3  PHE  10           HB1      PHE  10   5.564  -0.871   4.234
   67    HD1  PHE  10           HD1      PHE  10   7.474   0.604   2.413
   68    HD2  PHE  10           HD2      PHE  10   7.144   0.428   6.652
   69    HE1  PHE  10           HE1      PHE  10   9.878   1.083   2.615
   70    HE2  PHE  10           HE2      PHE  10   9.548   0.910   6.862
   71    HZ   PHE  10           HZ       PHE  10  10.919   1.238   4.842
   72    H    PHE  11           H        PHE  11   2.983   2.446   3.507
   73    HA   PHE  11           HA       PHE  11   1.059   0.233   3.243
   74    HB2  PHE  11           HB2      PHE  11  -0.523   1.905   4.384
   75    HB3  PHE  11           HB1      PHE  11   0.739   1.180   5.374
   76    HD1  PHE  11           HD1      PHE  11   2.691   2.498   6.057
   77    HD2  PHE  11           HD2      PHE  11  -0.543   4.240   3.905
   78    HE1  PHE  11           HE1      PHE  11   3.479   4.739   6.696
   79    HE2  PHE  11           HE2      PHE  11   0.240   6.484   4.540
   80    HZ   PHE  11           HZ       PHE  11   2.254   6.736   5.936
   81    H    THR  12           H        THR  12   0.080   0.147   1.343
   82    HA   THR  12           HA       THR  12  -0.530   2.675  -0.046
   83    HB   THR  12           HB       THR  12   0.160   0.032  -1.343
   84    HG1  THR  12           HG1      THR  12   1.841   1.579  -0.305
   85   HG21  THR  12          HG21      THR  12   0.357   2.083  -3.206
   86   HG22  THR  12          HG22      THR  12  -1.126   2.440  -2.321
   87   HG23  THR  12          HG23      THR  12  -0.923   0.874  -3.107
   88    H    CYS  13           H        CYS  13  -2.648   3.017   0.097
   89    HA   CYS  13           HA       CYS  13  -4.462   0.721  -0.259
   90    HB2  CYS  13           HB2      CYS  13  -5.182   3.272   1.179
   91    HB3  CYS  13           HB1      CYS  13  -6.030   1.729   1.209
   92    H    ASP  14           H        ASP  14  -6.573   1.269  -1.233
   93    HA   ASP  14           HA       ASP  14  -6.297   2.486  -3.717
   94    HB2  ASP  14           HB2      ASP  14  -8.888   2.551  -3.616
   95    HB3  ASP  14           HB1      ASP  14  -8.080   0.988  -3.554
   96    HA   PRO  15           HA       PRO  15  -6.779   6.805  -3.125
   97    HB2  PRO  15           HB2      PRO  15  -8.244   7.511  -5.298
   98    HB3  PRO  15           HB1      PRO  15  -6.544   7.037  -5.399
   99    HG2  PRO  15           HG2      PRO  15  -9.000   5.415  -5.949
  100    HG3  PRO  15           HG1      PRO  15  -7.483   5.495  -6.864
  101    HD2  PRO  15           HD2      PRO  15  -8.046   3.475  -5.151
  102    HD3  PRO  15           HD1      PRO  15  -6.393   4.061  -5.426
  103    H    ASN  16           H        ASN  16  -9.825   5.242  -4.123
  104    HA   ASN  16           HA       ASN  16 -11.413   7.246  -2.785
  105    HB2  ASN  16           HB2      ASN  16 -11.984   4.816  -4.432
  106    HB3  ASN  16           HB1      ASN  16 -13.260   5.459  -3.402
  107   HD21  ASN  16          HD21      ASN  16 -13.830   7.721  -3.694
  108   HD22  ASN  16          HD22      ASN  16 -13.708   8.417  -5.270
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -8.126  -2.406  -3.353
    2    HA2  GLY   1           HA2      GLY   1  -8.128  -3.174  -0.541
    3    HA3  GLY   1           HA1      GLY   1  -7.328  -4.025  -1.854
    4    H    CYS   2           H        CYS   2  -6.367  -3.128   0.820
    5    HA   CYS   2           HA       CYS   2  -4.169  -1.370  -0.047
    6    HB2  CYS   2           HB2      CYS   2  -5.716  -0.657   1.873
    7    HB3  CYS   2           HB1      CYS   2  -4.928  -1.918   2.816
    8    H    TYR   3           H        TYR   3  -2.140  -2.117  -0.039
    9    HA   TYR   3           HA       TYR   3  -1.504  -4.527   1.499
   10    HB2  TYR   3           HB2      TYR   3  -0.175  -5.309  -0.560
   11    HB3  TYR   3           HB1      TYR   3  -1.922  -5.522  -0.586
   12    HD1  TYR   3           HD1      TYR   3   0.861  -3.457  -1.872
   13    HD2  TYR   3           HD2      TYR   3  -3.270  -4.424  -2.208
   14    HE1  TYR   3           HE1      TYR   3   0.747  -2.210  -3.988
   15    HE2  TYR   3           HE2      TYR   3  -3.394  -3.180  -4.326
   16    HH   TYR   3           HH       TYR   3  -0.601  -2.084  -5.981
   17    HA   PRO   4           HA       PRO   4   2.261  -2.489   2.461
   18    HB2  PRO   4           HB2      PRO   4   3.985  -4.577   2.641
   19    HB3  PRO   4           HB1      PRO   4   2.735  -4.257   3.848
   20    HG2  PRO   4           HG2      PRO   4   2.724  -6.209   1.578
   21    HG3  PRO   4           HG1      PRO   4   2.176  -6.434   3.250
   22    HD2  PRO   4           HD2      PRO   4   0.464  -5.953   1.209
   23    HD3  PRO   4           HD1      PRO   4   0.160  -5.386   2.864
   24    H    VAL   5           H        VAL   5   4.187  -1.725   1.587
   25    HA   VAL   5           HA       VAL   5   5.018  -2.801  -1.013
   26    HB   VAL   5           HB       VAL   5   5.322  -0.449  -1.841
   27   HG11  VAL   5          HG11      VAL   5   3.126  -0.273  -2.670
   28   HG12  VAL   5          HG12      VAL   5   3.383  -1.997  -2.393
   29   HG13  VAL   5          HG13      VAL   5   2.438  -1.049  -1.243
   30   HG21  VAL   5          HG21      VAL   5   5.264   0.732   0.264
   31   HG22  VAL   5          HG22      VAL   5   3.948   1.303  -0.763
   32   HG23  VAL   5          HG23      VAL   5   3.612   0.188   0.562
   33    HA   PRO   6           HA       PRO   6   9.118  -2.304   0.472
   34    HB2  PRO   6           HB2      PRO   6  10.458  -1.761  -1.827
   35    HB3  PRO   6           HB1      PRO   6   9.816  -3.363  -1.443
   36    HG2  PRO   6           HG2      PRO   6   8.662  -1.232  -3.201
   37    HG3  PRO   6           HG1      PRO   6   8.759  -2.980  -3.480
   38    HD2  PRO   6           HD2      PRO   6   6.494  -1.764  -2.630
   39    HD3  PRO   6           HD1      PRO   6   6.924  -3.421  -2.157
   40    H    TYR   7           H        TYR   7   8.266   0.198  -1.927
   41    HA   TYR   7           HA       TYR   7  10.054   2.106  -0.700
   42    HB2  TYR   7           HB2      TYR   7   9.213   3.647  -2.450
   43    HB3  TYR   7           HB1      TYR   7   9.813   2.132  -3.115
   44    HD1  TYR   7           HD2      TYR   7   6.785   4.098  -2.378
   45    HD2  TYR   7           HD1      TYR   7   8.353   0.620  -4.263
   46    HE1  TYR   7           HE2      TYR   7   4.645   3.771  -3.544
   47    HE2  TYR   7           HE1      TYR   7   6.217   0.285  -5.436
   48    HH   TYR   7           HH       TYR   7   3.380   2.007  -4.612
   49    HA   PRO   8           HA       PRO   8   7.153   3.819   2.139
   50    HB2  PRO   8           HB2      PRO   8   8.341   6.229   2.525
   51    HB3  PRO   8           HB1      PRO   8   8.973   4.726   3.208
   52    HG2  PRO   8           HG2      PRO   8   9.841   6.206   0.754
   53    HG3  PRO   8           HG1      PRO   8  10.833   5.442   2.010
   54    HD2  PRO   8           HD2      PRO   8  10.353   4.267  -0.382
   55    HD3  PRO   8           HD1      PRO   8  10.572   3.335   1.114
   56    HA   PRO   9           HA       PRO   9   5.817   5.011   3.300
   57    HB2  PRO   9           HB2      PRO   9   3.116   4.745   3.232
   58    HB3  PRO   9           HB1      PRO   9   3.921   6.292   3.515
   59    HG2  PRO   9           HG2      PRO   9   2.742   5.204   0.987
   60    HG3  PRO   9           HG1      PRO   9   2.629   6.841   1.661
   61    HD2  PRO   9           HD2      PRO   9   4.344   6.203  -0.334
   62    HD3  PRO   9           HD1      PRO   9   4.713   7.441   0.882
   63    H    PHE  10           H        PHE  10   5.286   2.990   4.204
   64    HA   PHE  10           HA       PHE  10   5.464   0.791   2.367
   65    HB2  PHE  10           HB2      PHE  10   5.118   0.804   5.373
   66    HB3  PHE  10           HB1      PHE  10   5.509  -0.609   4.396
   67    HD1  PHE  10           HD1      PHE  10   7.451   0.740   2.511
   68    HD2  PHE  10           HD2      PHE  10   7.028   0.879   6.744
   69    HE1  PHE  10           HE1      PHE  10   9.847   1.252   2.729
   70    HE2  PHE  10           HE2      PHE  10   9.423   1.392   6.970
   71    HZ   PHE  10           HZ       PHE  10  10.837   1.580   4.961
   72    H    PHE  11           H        PHE  11   2.924   2.625   3.359
   73    HA   PHE  11           HA       PHE  11   1.022   0.381   3.218
   74    HB2  PHE  11           HB2      PHE  11  -0.597   2.125   4.194
   75    HB3  PHE  11           HB1      PHE  11   0.641   1.476   5.265
   76    HD1  PHE  11           HD2      PHE  11   2.570   2.846   5.905
   77    HD2  PHE  11           HD1      PHE  11  -0.604   4.420   3.547
   78    HE1  PHE  11           HE2      PHE  11   3.338   5.129   6.403
   79    HE2  PHE  11           HE1      PHE  11   0.160   6.706   4.040
   80    HZ   PHE  11           HZ       PHE  11   2.133   7.063   5.471
   81    H    THR  12           H        THR  12   0.088   0.147   1.308
   82    HA   THR  12           HA       THR  12  -0.506   2.561  -0.276
   83    HB   THR  12           HB       THR  12   0.234  -0.165  -1.357
   84    HG1  THR  12           HG1      THR  12   1.724   2.213  -1.704
   85   HG21  THR  12          HG21      THR  12   0.446   1.408  -3.476
   86   HG22  THR  12          HG22      THR  12  -0.765   2.347  -2.603
   87   HG23  THR  12          HG23      THR  12  -1.091   0.668  -3.031
   88    H    CYS  13           H        CYS  13  -2.629   2.894  -0.207
   89    HA   CYS  13           HA       CYS  13  -4.418   0.562  -0.440
   90    HB2  CYS  13           HB2      CYS  13  -5.189   3.197   0.805
   91    HB3  CYS  13           HB1      CYS  13  -6.025   1.652   0.923
   92    H    ASP  14           H        ASP  14  -6.659   1.289  -1.288
   93    HA   ASP  14           HA       ASP  14  -6.223   2.449  -3.881
   94    HB2  ASP  14           HB2      ASP  14  -8.737   2.058  -4.098
   95    HB3  ASP  14           HB1      ASP  14  -7.734   0.632  -3.846
   96    HA   PRO  15           HA       PRO  15  -7.430   6.602  -3.151
   97    HB2  PRO  15           HB2      PRO  15  -8.744   7.203  -5.449
   98    HB3  PRO  15           HB1      PRO  15  -6.990   7.004  -5.370
   99    HG2  PRO  15           HG2      PRO  15  -9.080   5.058  -6.271
  100    HG3  PRO  15           HG1      PRO  15  -7.505   5.426  -6.999
  101    HD2  PRO  15           HD2      PRO  15  -7.920   3.245  -5.449
  102    HD3  PRO  15           HD1      PRO  15  -6.362   4.095  -5.504
  103    H    ASN  16           H        ASN  16  -8.914   6.051  -1.408
  104    HA   ASN  16           HA       ASN  16 -11.683   5.569  -1.982
  105    HB2  ASN  16           HB2      ASN  16 -10.318   4.901   0.128
  106    HB3  ASN  16           HB1      ASN  16 -10.663   6.541   0.671
  107   HD21  ASN  16          HD21      ASN  16 -11.537   3.811   1.571
  108   HD22  ASN  16          HD22      ASN  16 -13.259   3.920   1.662
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -9.590  -2.133  -0.244
    2    HA2  GLY   1           HA2      GLY   1  -7.671  -4.054  -0.810
    3    HA3  GLY   1           HA1      GLY   1  -8.067  -2.705  -1.865
    4    H    CYS   2           H        CYS   2  -6.322  -3.216   1.206
    5    HA   CYS   2           HA       CYS   2  -4.236  -1.397   0.201
    6    HB2  CYS   2           HB2      CYS   2  -4.883  -2.143   3.061
    7    HB3  CYS   2           HB1      CYS   2  -3.645  -1.001   2.547
    8    H    TYR   3           H        TYR   3  -2.168  -2.074   0.043
    9    HA   TYR   3           HA       TYR   3  -1.428  -4.661   1.199
   10    HB2  TYR   3           HB2      TYR   3  -0.237  -5.147  -1.031
   11    HB3  TYR   3           HB1      TYR   3  -1.980  -5.377  -0.968
   12    HD1  TYR   3           HD2      TYR   3  -3.483  -3.768  -2.075
   13    HD2  TYR   3           HD1      TYR   3   0.746  -3.446  -2.409
   14    HE1  TYR   3           HE2      TYR   3  -3.756  -2.256  -3.995
   15    HE2  TYR   3           HE1      TYR   3   0.485  -1.931  -4.330
   16    HH   TYR   3           HH       TYR   3  -1.215  -1.430  -6.061
   17    HA   PRO   4           HA       PRO   4   2.390  -2.731   2.174
   18    HB2  PRO   4           HB2      PRO   4   4.127  -4.806   1.959
   19    HB3  PRO   4           HB1      PRO   4   2.959  -4.664   3.279
   20    HG2  PRO   4           HG2      PRO   4   2.798  -6.297   0.774
   21    HG3  PRO   4           HG1      PRO   4   2.364  -6.747   2.433
   22    HD2  PRO   4           HD2      PRO   4   0.519  -6.015   0.592
   23    HD3  PRO   4           HD1      PRO   4   0.324  -5.678   2.324
   24    H    VAL   5           H        VAL   5   4.225  -1.809   1.276
   25    HA   VAL   5           HA       VAL   5   4.912  -2.542  -1.480
   26    HB   VAL   5           HB       VAL   5   5.116  -0.092  -2.026
   27   HG11  VAL   5          HG11      VAL   5   2.932   0.051  -2.802
   28   HG12  VAL   5          HG12      VAL   5   3.161  -1.687  -2.590
   29   HG13  VAL   5          HG13      VAL   5   2.268  -0.759  -1.384
   30   HG21  VAL   5          HG21      VAL   5   5.114   0.761   0.263
   31   HG22  VAL   5          HG22      VAL   5   3.818   1.489  -0.687
   32   HG23  VAL   5          HG23      VAL   5   3.451   0.212   0.472
   33    HA   PRO   6           HA       PRO   6   9.085  -2.098  -0.190
   34    HB2  PRO   6           HB2      PRO   6  10.265  -1.254  -2.484
   35    HB3  PRO   6           HB1      PRO   6   9.686  -2.908  -2.254
   36    HG2  PRO   6           HG2      PRO   6   8.377  -0.624  -3.678
   37    HG3  PRO   6           HG1      PRO   6   8.497  -2.324  -4.164
   38    HD2  PRO   6           HD2      PRO   6   6.261  -1.284  -3.047
   39    HD3  PRO   6           HD1      PRO   6   6.758  -2.970  -2.797
   40    H    TYR   7           H        TYR   7   8.045   0.635  -2.237
   41    HA   TYR   7           HA       TYR   7   9.851   2.440  -0.880
   42    HB2  TYR   7           HB2      TYR   7   9.035   4.120  -2.434
   43    HB3  TYR   7           HB1      TYR   7   9.408   2.640  -3.309
   44    HD1  TYR   7           HD2      TYR   7   6.732   4.868  -2.170
   45    HD2  TYR   7           HD1      TYR   7   7.649   1.317  -4.327
   46    HE1  TYR   7           HE2      TYR   7   4.466   4.871  -3.126
   47    HE2  TYR   7           HE1      TYR   7   5.386   1.311  -5.290
   48    HH   TYR   7           HH       TYR   7   2.912   3.499  -4.184
   49    HA   PRO   8           HA       PRO   8   7.049   3.771   2.245
   50    HB2  PRO   8           HB2      PRO   8   8.169   6.179   2.808
   51    HB3  PRO   8           HB1      PRO   8   8.891   4.645   3.305
   52    HG2  PRO   8           HG2      PRO   8   9.572   6.389   0.970
   53    HG3  PRO   8           HG1      PRO   8  10.658   5.548   2.093
   54    HD2  PRO   8           HD2      PRO   8  10.091   4.591  -0.376
   55    HD3  PRO   8           HD1      PRO   8  10.422   3.529   1.006
   56    HA   PRO   9           HA       PRO   9   5.766   4.835   3.604
   57    HB2  PRO   9           HB2      PRO   9   3.075   4.490   3.689
   58    HB3  PRO   9           HB1      PRO   9   3.857   6.034   4.048
   59    HG2  PRO   9           HG2      PRO   9   2.539   5.122   1.520
   60    HG3  PRO   9           HG1      PRO   9   2.429   6.694   2.336
   61    HD2  PRO   9           HD2      PRO   9   4.023   6.277   0.187
   62    HD3  PRO   9           HD1      PRO   9   4.441   7.421   1.478
   63    H    PHE  10           H        PHE  10   5.374   2.729   4.361
   64    HA   PHE  10           HA       PHE  10   5.473   0.699   2.336
   65    HB2  PHE  10           HB2      PHE  10   5.345   0.454   5.350
   66    HB3  PHE  10           HB1      PHE  10   5.694  -0.862   4.235
   67    HD1  PHE  10           HD2      PHE  10   7.469   0.658   2.332
   68    HD2  PHE  10           HD1      PHE  10   7.340   0.503   6.585
   69    HE1  PHE  10           HE2      PHE  10   9.863   1.217   2.422
   70    HE2  PHE  10           HE1      PHE  10   9.734   1.062   6.681
   71    HZ   PHE  10           HZ       PHE  10  10.999   1.420   4.598
   72    H    PHE  11           H        PHE  11   2.963   2.351   3.688
   73    HA   PHE  11           HA       PHE  11   1.116   0.070   3.450
   74    HB2  PHE  11           HB2      PHE  11  -0.468   1.639   4.727
   75    HB3  PHE  11           HB1      PHE  11   0.869   0.929   5.626
   76    HD1  PHE  11           HD2      PHE  11   2.806   2.298   6.255
   77    HD2  PHE  11           HD1      PHE  11  -0.600   3.986   4.341
   78    HE1  PHE  11           HE2      PHE  11   3.542   4.544   6.935
   79    HE2  PHE  11           HE1      PHE  11   0.131   6.236   5.017
   80    HZ   PHE  11           HZ       PHE  11   2.203   6.517   6.317
   81    H    THR  12           H        THR  12   0.053   0.007   1.595
   82    HA   THR  12           HA       THR  12  -0.613   2.551   0.261
   83    HB   THR  12           HB       THR  12  -0.168  -0.167  -0.990
   84    HG1  THR  12           HG1      THR  12   1.365   2.215  -0.857
   85   HG21  THR  12          HG21      THR  12  -0.287   1.229  -3.128
   86   HG22  THR  12          HG22      THR  12  -1.058   2.468  -2.137
   87   HG23  THR  12          HG23      THR  12  -1.811   0.882  -2.311
   88    H    CYS  13           H        CYS  13  -2.671   2.854  -0.553
   89    HA   CYS  13           HA       CYS  13  -4.651   0.741  -0.125
   90    HB2  CYS  13           HB2      CYS  13  -4.738   3.502   1.082
   91    HB3  CYS  13           HB1      CYS  13  -6.196   2.544   0.841
   92    H    ASP  14           H        ASP  14  -6.639   1.074  -1.288
   93    HA   ASP  14           HA       ASP  14  -6.300   1.925  -3.913
   94    HB2  ASP  14           HB2      ASP  14  -8.894   1.940  -3.905
   95    HB3  ASP  14           HB1      ASP  14  -8.056   0.423  -3.591
   96    HA   PRO  15           HA       PRO  15  -6.889   6.271  -3.974
   97    HB2  PRO  15           HB2      PRO  15  -8.291   6.618  -6.272
   98    HB3  PRO  15           HB1      PRO  15  -6.579   6.176  -6.248
   99    HG2  PRO  15           HG2      PRO  15  -8.981   4.431  -6.634
  100    HG3  PRO  15           HG1      PRO  15  -7.434   4.414  -7.502
  101    HD2  PRO  15           HD2      PRO  15  -8.017   2.651  -5.531
  102    HD3  PRO  15           HD1      PRO  15  -6.367   3.232  -5.836
  103    H    ASN  16           H        ASN  16  -8.327   6.122  -2.053
  104    HA   ASN  16           HA       ASN  16 -11.165   6.058  -2.434
  105    HB2  ASN  16           HB2      ASN  16  -9.700   5.502  -0.307
  106    HB3  ASN  16           HB1      ASN  16  -9.921   7.218   0.026
  107   HD21  ASN  16          HD21      ASN  16 -11.498   7.554   1.398
  108   HD22  ASN  16          HD22      ASN  16 -12.987   6.681   1.481
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.544  -4.121  -1.496
    2    HA2  GLY   1           HA2      GLY   1  -7.595  -2.342  -2.716
    3    HA3  GLY   1           HA1      GLY   1  -8.354  -1.513  -1.365
    4    H    CYS   2           H        CYS   2  -6.489  -2.521   0.615
    5    HA   CYS   2           HA       CYS   2  -4.175  -0.848  -0.098
    6    HB2  CYS   2           HB2      CYS   2  -5.692  -0.230   1.881
    7    HB3  CYS   2           HB1      CYS   2  -4.976  -1.612   2.704
    8    H    TYR   3           H        TYR   3  -2.200  -1.717  -0.179
    9    HA   TYR   3           HA       TYR   3  -1.701  -4.280   1.146
   10    HB2  TYR   3           HB2      TYR   3  -0.431  -4.965  -0.984
   11    HB3  TYR   3           HB1      TYR   3  -2.188  -5.071  -1.010
   12    HD1  TYR   3           HD1      TYR   3  -3.510  -3.526  -2.352
   13    HD2  TYR   3           HD2      TYR   3   0.740  -3.315  -2.319
   14    HE1  TYR   3           HE1      TYR   3  -3.571  -2.105  -4.358
   15    HE2  TYR   3           HE2      TYR   3   0.690  -1.891  -4.324
   16    HH   TYR   3           HH       TYR   3  -2.177  -1.413  -6.168
   17    HA   PRO   4           HA       PRO   4   2.182  -2.554   2.238
   18    HB2  PRO   4           HB2      PRO   4   3.782  -4.747   2.226
   19    HB3  PRO   4           HB1      PRO   4   2.557  -4.457   3.468
   20    HG2  PRO   4           HG2      PRO   4   2.419  -6.209   1.044
   21    HG3  PRO   4           HG1      PRO   4   1.867  -6.540   2.697
   22    HD2  PRO   4           HD2      PRO   4   0.177  -5.790   0.719
   23    HD3  PRO   4           HD1      PRO   4  -0.085  -5.346   2.418
   24    H    VAL   5           H        VAL   5   4.146  -1.833   1.411
   25    HA   VAL   5           HA       VAL   5   4.902  -2.739  -1.275
   26    HB   VAL   5           HB       VAL   5   5.340  -0.340  -1.903
   27   HG11  VAL   5          HG11      VAL   5   2.417  -0.634  -1.407
   28   HG12  VAL   5          HG12      VAL   5   3.269  -0.120  -2.865
   29   HG13  VAL   5          HG13      VAL   5   3.235  -1.826  -2.417
   30   HG21  VAL   5          HG21      VAL   5   4.005   1.367  -0.682
   31   HG22  VAL   5          HG22      VAL   5   3.671   0.158   0.558
   32   HG23  VAL   5          HG23      VAL   5   5.327   0.689   0.267
   33    HA   PRO   6           HA       PRO   6   9.030  -2.589   0.213
   34    HB2  PRO   6           HB2      PRO   6  10.388  -1.948  -2.049
   35    HB3  PRO   6           HB1      PRO   6   9.659  -3.537  -1.784
   36    HG2  PRO   6           HG2      PRO   6   8.620  -1.215  -3.363
   37    HG3  PRO   6           HG1      PRO   6   8.618  -2.940  -3.776
   38    HD2  PRO   6           HD2      PRO   6   6.428  -1.668  -2.817
   39    HD3  PRO   6           HD1      PRO   6   6.766  -3.377  -2.476
   40    H    TYR   7           H        TYR   7   8.328   0.129  -1.991
   41    HA   TYR   7           HA       TYR   7  10.219   1.834  -0.630
   42    HB2  TYR   7           HB2      TYR   7   9.642   3.497  -2.281
   43    HB3  TYR   7           HB1      TYR   7   9.840   1.947  -3.093
   44    HD1  TYR   7           HD1      TYR   7   7.905   0.768  -4.013
   45    HD2  TYR   7           HD2      TYR   7   7.482   4.572  -2.155
   46    HE1  TYR   7           HE1      TYR   7   5.668   0.999  -5.009
   47    HE2  TYR   7           HE2      TYR   7   5.244   4.814  -3.145
   48    HH   TYR   7           HH       TYR   7   3.965   2.414  -5.402
   49    HA   PRO   8           HA       PRO   8   7.429   3.499   2.344
   50    HB2  PRO   8           HB2      PRO   8   8.743   5.812   2.886
   51    HB3  PRO   8           HB1      PRO   8   9.299   4.234   3.456
   52    HG2  PRO   8           HG2      PRO   8  10.230   5.835   1.104
   53    HG3  PRO   8           HG1      PRO   8  11.188   4.935   2.295
   54    HD2  PRO   8           HD2      PRO   8  10.634   3.957  -0.169
   55    HD3  PRO   8           HD1      PRO   8  10.811   2.913   1.256
   56    HA   PRO   9           HA       PRO   9   6.174   4.690   3.604
   57    HB2  PRO   9           HB2      PRO   9   3.462   4.578   3.557
   58    HB3  PRO   9           HB1      PRO   9   4.356   6.057   3.928
   59    HG2  PRO   9           HG2      PRO   9   3.091   5.204   1.352
   60    HG3  PRO   9           HG1      PRO   9   3.077   6.796   2.132
   61    HD2  PRO   9           HD2      PRO   9   4.733   6.197   0.076
   62    HD3  PRO   9           HD1      PRO   9   5.183   7.331   1.365
   63    H    PHE  10           H        PHE  10   5.545   2.645   4.382
   64    HA   PHE  10           HA       PHE  10   5.585   0.564   2.407
   65    HB2  PHE  10           HB2      PHE  10   5.256   0.407   5.411
   66    HB3  PHE  10           HB1      PHE  10   5.554  -0.963   4.345
   67    HD1  PHE  10           HD2      PHE  10   7.566   0.361   2.527
   68    HD2  PHE  10           HD1      PHE  10   7.171   0.302   6.765
   69    HE1  PHE  10           HE2      PHE  10   9.990   0.712   2.755
   70    HE2  PHE  10           HE1      PHE  10   9.595   0.654   6.999
   71    HZ   PHE  10           HZ       PHE  10  11.008   0.858   4.993
   72    H    PHE  11           H        PHE  11   3.155   2.465   3.560
   73    HA   PHE  11           HA       PHE  11   1.131   0.347   3.265
   74    HB2  PHE  11           HB2      PHE  11  -0.383   2.090   4.392
   75    HB3  PHE  11           HB1      PHE  11   0.828   1.297   5.395
   76    HD1  PHE  11           HD2      PHE  11   2.835   2.513   6.109
   77    HD2  PHE  11           HD1      PHE  11  -0.281   4.425   3.929
   78    HE1  PHE  11           HE2      PHE  11   3.725   4.709   6.771
   79    HE2  PHE  11           HE1      PHE  11   0.605   6.625   4.586
   80    HZ   PHE  11           HZ       PHE  11   2.610   6.769   6.010
   81    H    THR  12           H        THR  12   0.182   0.314   1.348
   82    HA   THR  12           HA       THR  12  -0.285   2.875  -0.039
   83    HB   THR  12           HB       THR  12   0.329   0.194  -1.300
   84    HG1  THR  12           HG1      THR  12   1.810   2.614  -1.057
   85   HG21  THR  12          HG21      THR  12   0.319   1.451  -3.426
   86   HG22  THR  12          HG22      THR  12  -0.250   2.878  -2.559
   87   HG23  THR  12          HG23      THR  12  -1.264   1.439  -2.649
   88    H    CYS  13           H        CYS  13  -2.383   3.328   0.085
   89    HA   CYS  13           HA       CYS  13  -4.312   1.133  -0.302
   90    HB2  CYS  13           HB2      CYS  13  -4.876   3.709   1.164
   91    HB3  CYS  13           HB1      CYS  13  -5.854   2.246   1.137
   92    H    ASP  14           H        ASP  14  -6.463   1.940  -1.163
   93    HA   ASP  14           HA       ASP  14  -5.922   3.583  -3.507
   94    HB2  ASP  14           HB2      ASP  14  -7.996   1.586  -2.746
   95    HB3  ASP  14           HB1      ASP  14  -8.449   2.830  -3.908
   96    HA   PRO  15           HA       PRO  15  -8.038   7.190  -2.190
   97    HB2  PRO  15           HB2      PRO  15  -9.362   7.950  -4.435
   98    HB3  PRO  15           HB1      PRO  15  -7.609   8.086  -4.262
   99    HG2  PRO  15           HG2      PRO  15  -9.215   5.977  -5.653
  100    HG3  PRO  15           HG1      PRO  15  -7.725   6.780  -6.181
  101    HD2  PRO  15           HD2      PRO  15  -7.737   4.304  -5.085
  102    HD3  PRO  15           HD1      PRO  15  -6.387   5.437  -4.869
  103    H    ASN  16           H        ASN  16 -10.156   5.075  -4.129
  104    HA   ASN  16           HA       ASN  16 -12.358   5.736  -2.285
  105    HB2  ASN  16           HB2      ASN  16 -12.287   5.272  -5.235
  106    HB3  ASN  16           HB1      ASN  16 -13.730   4.792  -4.347
  107   HD21  ASN  16          HD21      ASN  16 -12.364   7.223  -6.048
  108   HD22  ASN  16          HD22      ASN  16 -13.248   8.564  -5.413
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -9.051  -0.855  -0.924
    2    HA2  GLY   1           HA2      GLY   1  -7.591  -3.349  -1.470
    3    HA3  GLY   1           HA1      GLY   1  -7.771  -2.004  -2.587
    4    H    CYS   2           H        CYS   2  -6.370  -2.762   0.598
    5    HA   CYS   2           HA       CYS   2  -4.140  -0.954  -0.071
    6    HB2  CYS   2           HB2      CYS   2  -5.650  -0.386   1.928
    7    HB3  CYS   2           HB1      CYS   2  -4.905  -1.766   2.728
    8    H    TYR   3           H        TYR   3  -2.152  -1.792  -0.179
    9    HA   TYR   3           HA       TYR   3  -1.602  -4.363   1.112
   10    HB2  TYR   3           HB2      TYR   3  -0.339  -5.001  -1.036
   11    HB3  TYR   3           HB1      TYR   3  -2.094  -5.136  -1.050
   12    HD1  TYR   3           HD1      TYR   3   0.760  -3.080  -2.187
   13    HD2  TYR   3           HD2      TYR   3  -3.413  -3.830  -2.536
   14    HE1  TYR   3           HE1      TYR   3   0.673  -1.634  -4.173
   15    HE2  TYR   3           HE2      TYR   3  -3.512  -2.387  -4.524
   16    HH   TYR   3           HH       TYR   3  -0.764  -0.472  -5.543
   17    HA   PRO   4           HA       PRO   4   2.263  -2.588   2.191
   18    HB2  PRO   4           HB2      PRO   4   3.897  -4.755   2.141
   19    HB3  PRO   4           HB1      PRO   4   2.679  -4.500   3.396
   20    HG2  PRO   4           HG2      PRO   4   2.548  -6.225   0.953
   21    HG3  PRO   4           HG1      PRO   4   2.015  -6.584   2.605
   22    HD2  PRO   4           HD2      PRO   4   0.296  -5.837   0.651
   23    HD3  PRO   4           HD1      PRO   4   0.042  -5.419   2.357
   24    H    VAL   5           H        VAL   5   4.209  -1.826   1.358
   25    HA   VAL   5           HA       VAL   5   4.957  -2.688  -1.345
   26    HB   VAL   5           HB       VAL   5   5.350  -0.275  -1.948
   27   HG11  VAL   5          HG11      VAL   5   2.437  -0.677  -1.420
   28   HG12  VAL   5          HG12      VAL   5   3.241  -0.041  -2.857
   29   HG13  VAL   5          HG13      VAL   5   3.292  -1.770  -2.508
   30   HG21  VAL   5          HG21      VAL   5   3.664   0.182   0.509
   31   HG22  VAL   5          HG22      VAL   5   5.332   0.699   0.264
   32   HG23  VAL   5          HG23      VAL   5   4.038   1.408  -0.701
   33    HA   PRO   6           HA       PRO   6   9.094  -2.490   0.111
   34    HB2  PRO   6           HB2      PRO   6  10.423  -1.800  -2.153
   35    HB3  PRO   6           HB1      PRO   6   9.721  -3.403  -1.901
   36    HG2  PRO   6           HG2      PRO   6   8.633  -1.080  -3.445
   37    HG3  PRO   6           HG1      PRO   6   8.654  -2.799  -3.877
   38    HD2  PRO   6           HD2      PRO   6   6.453  -1.575  -2.887
   39    HD3  PRO   6           HD1      PRO   6   6.820  -3.282  -2.568
   40    H    TYR   7           H        TYR   7   8.330   0.243  -2.055
   41    HA   TYR   7           HA       TYR   7  10.205   1.962  -0.689
   42    HB2  TYR   7           HB2      TYR   7   9.385   3.689  -2.284
   43    HB3  TYR   7           HB1      TYR   7   9.957   2.228  -3.079
   44    HD1  TYR   7           HD2      TYR   7   6.919   4.084  -2.072
   45    HD2  TYR   7           HD1      TYR   7   8.516   0.939  -4.450
   46    HE1  TYR   7           HE2      TYR   7   4.773   3.899  -3.257
   47    HE2  TYR   7           HE1      TYR   7   6.376   0.746  -5.644
   48    HH   TYR   7           HH       TYR   7   3.522   2.320  -4.567
   49    HA   PRO   8           HA       PRO   8   7.411   3.548   2.326
   50    HB2  PRO   8           HB2      PRO   8   8.694   5.874   2.887
   51    HB3  PRO   8           HB1      PRO   8   9.280   4.300   3.433
   52    HG2  PRO   8           HG2      PRO   8  10.166   5.942   1.093
   53    HG3  PRO   8           HG1      PRO   8  11.147   5.044   2.265
   54    HD2  PRO   8           HD2      PRO   8  10.589   4.086  -0.205
   55    HD3  PRO   8           HD1      PRO   8  10.794   3.028   1.205
   56    HA   PRO   9           HA       PRO   9   6.149   4.703   3.612
   57    HB2  PRO   9           HB2      PRO   9   3.438   4.548   3.585
   58    HB3  PRO   9           HB1      PRO   9   4.312   6.037   3.966
   59    HG2  PRO   9           HG2      PRO   9   3.039   5.194   1.390
   60    HG3  PRO   9           HG1      PRO   9   3.006   6.777   2.190
   61    HD2  PRO   9           HD2      PRO   9   4.655   6.228   0.113
   62    HD3  PRO   9           HD1      PRO   9   5.098   7.354   1.412
   63    H    PHE  10           H        PHE  10   5.562   2.639   4.370
   64    HA   PHE  10           HA       PHE  10   5.618   0.583   2.370
   65    HB2  PHE  10           HB2      PHE  10   5.315   0.384   5.374
   66    HB3  PHE  10           HB1      PHE  10   5.627  -0.967   4.290
   67    HD1  PHE  10           HD1      PHE  10   7.601   0.409   2.472
   68    HD2  PHE  10           HD2      PHE  10   7.242   0.296   6.713
   69    HE1  PHE  10           HE1      PHE  10  10.022   0.797   2.685
   70    HE2  PHE  10           HE2      PHE  10   9.662   0.685   6.931
   71    HZ   PHE  10           HZ       PHE  10  11.055   0.936   4.916
   72    H    PHE  11           H        PHE  11   3.166   2.430   3.568
   73    HA   PHE  11           HA       PHE  11   1.174   0.283   3.262
   74    HB2  PHE  11           HB2      PHE  11  -0.358   1.988   4.423
   75    HB3  PHE  11           HB1      PHE  11   0.874   1.203   5.407
   76    HD1  PHE  11           HD1      PHE  11   2.867   2.441   6.120
   77    HD2  PHE  11           HD2      PHE  11  -0.297   4.330   3.989
   78    HE1  PHE  11           HE1      PHE  11   3.727   4.643   6.802
   79    HE2  PHE  11           HE2      PHE  11   0.559   6.535   4.667
   80    HZ   PHE  11           HZ       PHE  11   2.573   6.694   6.074
   81    H    THR  12           H        THR  12   0.210   0.259   1.353
   82    HA   THR  12           HA       THR  12  -0.309   2.828   0.003
   83    HB   THR  12           HB       THR  12   0.306   0.176  -1.317
   84    HG1  THR  12           HG1      THR  12   2.021   1.683  -0.283
   85   HG21  THR  12          HG21      THR  12   0.384   1.592  -3.391
   86   HG22  THR  12          HG22      THR  12  -0.336   2.898  -2.449
   87   HG23  THR  12          HG23      THR  12  -1.224   1.394  -2.693
   88    H    CYS  13           H        CYS  13  -2.414   3.246   0.148
   89    HA   CYS  13           HA       CYS  13  -4.311   1.025  -0.249
   90    HB2  CYS  13           HB2      CYS  13  -4.902   3.575   1.251
   91    HB3  CYS  13           HB1      CYS  13  -5.858   2.096   1.216
   92    H    ASP  14           H        ASP  14  -6.327   1.575  -1.313
   93    HA   ASP  14           HA       ASP  14  -5.998   3.800  -3.219
   94    HB2  ASP  14           HB2      ASP  14  -6.014   1.293  -4.000
   95    HB3  ASP  14           HB1      ASP  14  -7.756   1.445  -3.795
   96    HA   PRO  15           HA       PRO  15  -9.697   4.821  -0.657
   97    HB2  PRO  15           HB2      PRO  15  -9.187   7.486  -0.596
   98    HB3  PRO  15           HB1      PRO  15  -8.474   6.345   0.550
   99    HG2  PRO  15           HG2      PRO  15  -7.281   7.542  -1.920
  100    HG3  PRO  15           HG1      PRO  15  -6.542   7.298  -0.326
  101    HD2  PRO  15           HD2      PRO  15  -6.085   5.635  -2.414
  102    HD3  PRO  15           HD1      PRO  15  -6.105   5.071  -0.731
  103    H    ASN  16           H        ASN  16 -10.905   4.205  -2.577
  104    HA   ASN  16           HA       ASN  16 -12.374   4.628  -4.260
  105    HB2  ASN  16           HB2      ASN  16 -12.885   6.554  -2.566
  106    HB3  ASN  16           HB1      ASN  16 -12.120   7.577  -3.778
  107   HD21  ASN  16          HD21      ASN  16 -13.897   8.682  -4.417
  108   HD22  ASN  16          HD22      ASN  16 -15.249   7.957  -5.210
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.938   0.379  -0.796
    2    HA2  GLY   1           HA2      GLY   1  -8.264  -2.203   0.477
    3    HA3  GLY   1           HA1      GLY   1  -8.243  -1.951  -1.262
    4    H    CYS   2           H        CYS   2  -6.393  -2.019   1.521
    5    HA   CYS   2           HA       CYS   2  -4.267  -0.382   0.320
    6    HB2  CYS   2           HB2      CYS   2  -4.420  -1.413   3.157
    7    HB3  CYS   2           HB1      CYS   2  -3.291  -0.223   2.519
    8    H    TYR   3           H        TYR   3  -2.213  -1.210   0.008
    9    HA   TYR   3           HA       TYR   3  -1.784  -4.052   0.572
   10    HB2  TYR   3           HB2      TYR   3  -0.745  -4.200  -1.782
   11    HB3  TYR   3           HB1      TYR   3  -2.499  -4.235  -1.655
   12    HD1  TYR   3           HD2      TYR   3  -3.828  -2.252  -2.296
   13    HD2  TYR   3           HD1      TYR   3   0.387  -2.390  -2.869
   14    HE1  TYR   3           HE2      TYR   3  -3.982  -0.353  -3.850
   15    HE2  TYR   3           HE1      TYR   3   0.243  -0.490  -4.424
   16    HH   TYR   3           HH       TYR   3  -1.189   0.767  -5.668
   17    HA   PRO   4           HA       PRO   4   2.289  -2.854   1.674
   18    HB2  PRO   4           HB2      PRO   4   3.725  -5.036   0.934
   19    HB3  PRO   4           HB1      PRO   4   2.635  -5.030   2.325
   20    HG2  PRO   4           HG2      PRO   4   2.169  -6.070  -0.443
   21    HG3  PRO   4           HG1      PRO   4   1.737  -6.801   1.113
   22    HD2  PRO   4           HD2      PRO   4  -0.059  -5.479  -0.421
   23    HD3  PRO   4           HD1      PRO   4  -0.143  -5.490   1.352
   24    H    VAL   5           H        VAL   5   4.162  -1.953   0.866
   25    HA   VAL   5           HA       VAL   5   4.679  -2.201  -2.012
   26    HB   VAL   5           HB       VAL   5   5.136   0.274  -2.090
   27   HG11  VAL   5          HG11      VAL   5   2.745   0.887  -2.315
   28   HG12  VAL   5          HG12      VAL   5   3.154  -0.630  -3.119
   29   HG13  VAL   5          HG13      VAL   5   2.314  -0.652  -1.568
   30   HG21  VAL   5          HG21      VAL   5   5.265   0.581   0.367
   31   HG22  VAL   5          HG22      VAL   5   4.157   1.706  -0.417
   32   HG23  VAL   5          HG23      VAL   5   3.525   0.313   0.459
   33    HA   PRO   6           HA       PRO   6   8.913  -2.448  -0.880
   34    HB2  PRO   6           HB2      PRO   6  10.108  -1.299  -3.030
   35    HB3  PRO   6           HB1      PRO   6   9.357  -2.897  -3.089
   36    HG2  PRO   6           HG2      PRO   6   8.264  -0.257  -3.981
   37    HG3  PRO   6           HG1      PRO   6   8.180  -1.833  -4.789
   38    HD2  PRO   6           HD2      PRO   6   6.109  -0.807  -3.379
   39    HD3  PRO   6           HD1      PRO   6   6.423  -2.551  -3.480
   40    H    TYR   7           H        TYR   7   8.117   0.725  -2.310
   41    HA   TYR   7           HA       TYR   7  10.145   2.029  -0.709
   42    HB2  TYR   7           HB2      TYR   7   9.441   4.073  -1.877
   43    HB3  TYR   7           HB1      TYR   7   9.769   2.768  -3.012
   44    HD1  TYR   7           HD2      TYR   7   7.136   4.813  -1.461
   45    HD2  TYR   7           HD1      TYR   7   8.013   1.824  -4.359
   46    HE1  TYR   7           HE2      TYR   7   4.902   5.118  -2.443
   47    HE2  TYR   7           HE1      TYR   7   5.782   2.122  -5.351
   48    HH   TYR   7           HH       TYR   7   3.905   4.674  -4.918
   49    HA   PRO   8           HA       PRO   8   7.537   3.045   2.693
   50    HB2  PRO   8           HB2      PRO   8   8.935   5.159   3.667
   51    HB3  PRO   8           HB1      PRO   8   9.475   3.486   3.846
   52    HG2  PRO   8           HG2      PRO   8  10.341   5.554   1.862
   53    HG3  PRO   8           HG1      PRO   8  11.328   4.398   2.775
   54    HD2  PRO   8           HD2      PRO   8  10.638   4.000   0.187
   55    HD3  PRO   8           HD1      PRO   8  10.851   2.663   1.335
   56    HA   PRO   9           HA       PRO   9   6.417   3.990   4.280
   57    HB2  PRO   9           HB2      PRO   9   3.706   3.952   4.402
   58    HB3  PRO   9           HB1      PRO   9   4.676   5.302   5.004
   59    HG2  PRO   9           HG2      PRO   9   3.217   5.029   2.404
   60    HG3  PRO   9           HG1      PRO   9   3.312   6.425   3.493
   61    HD2  PRO   9           HD2      PRO   9   4.808   6.226   1.245
   62    HD3  PRO   9           HD1      PRO   9   5.383   7.058   2.704
   63    H    PHE  10           H        PHE  10   5.876   1.833   4.628
   64    HA   PHE  10           HA       PHE  10   5.682   0.210   2.288
   65    HB2  PHE  10           HB2      PHE  10   5.521  -0.558   5.210
   66    HB3  PHE  10           HB1      PHE  10   5.710  -1.684   3.870
   67    HD1  PHE  10           HD1      PHE  10   7.656  -0.059   2.238
   68    HD2  PHE  10           HD2      PHE  10   7.507  -0.978   6.390
   69    HE1  PHE  10           HE1      PHE  10  10.100   0.187   2.376
   70    HE2  PHE  10           HE2      PHE  10   9.950  -0.733   6.536
   71    HZ   PHE  10           HZ       PHE  10  11.251  -0.149   4.528
   72    H    PHE  11           H        PHE  11   3.388   1.829   4.069
   73    HA   PHE  11           HA       PHE  11   1.282  -0.109   3.381
   74    HB2  PHE  11           HB2      PHE  11  -0.096   1.299   5.030
   75    HB3  PHE  11           HB1      PHE  11   1.153   0.256   5.701
   76    HD1  PHE  11           HD1      PHE  11   3.242   1.213   6.558
   77    HD2  PHE  11           HD2      PHE  11   0.053   3.674   5.182
   78    HE1  PHE  11           HE1      PHE  11   4.246   3.147   7.701
   79    HE2  PHE  11           HE2      PHE  11   1.052   5.612   6.322
   80    HZ   PHE  11           HZ       PHE  11   3.151   5.350   7.582
   81    H    THR  12           H        THR  12   0.205   0.372   1.596
   82    HA   THR  12           HA       THR  12  -0.299   3.210   0.976
   83    HB   THR  12           HB       THR  12  -0.361   2.442  -1.460
   84    HG1  THR  12           HG1      THR  12  -0.336   0.158  -0.899
   85   HG21  THR  12          HG21      THR  12   2.043   2.682  -1.729
   86   HG22  THR  12          HG22      THR  12   2.292   2.310  -0.023
   87   HG23  THR  12          HG23      THR  12   1.460   3.793  -0.490
   88    H    CYS  13           H        CYS  13  -2.315   3.751   0.174
   89    HA   CYS  13           HA       CYS  13  -4.311   1.595   0.041
   90    HB2  CYS  13           HB2      CYS  13  -4.690   4.269   1.407
   91    HB3  CYS  13           HB1      CYS  13  -5.926   3.030   1.214
   92    H    ASP  14           H        ASP  14  -5.976   1.881  -1.427
   93    HA   ASP  14           HA       ASP  14  -5.447   3.868  -3.495
   94    HB2  ASP  14           HB2      ASP  14  -6.896   1.272  -3.368
   95    HB3  ASP  14           HB1      ASP  14  -7.461   2.457  -4.543
   96    HA   PRO  15           HA       PRO  15  -8.826   6.516  -2.599
   97    HB2  PRO  15           HB2      PRO  15  -9.775   7.117  -5.070
   98    HB3  PRO  15           HB1      PRO  15  -8.239   7.739  -4.454
   99    HG2  PRO  15           HG2      PRO  15  -8.747   5.433  -6.295
  100    HG3  PRO  15           HG1      PRO  15  -7.503   6.692  -6.395
  101    HD2  PRO  15           HD2      PRO  15  -6.990   4.210  -5.446
  102    HD3  PRO  15           HD1      PRO  15  -6.149   5.654  -4.847
  103    H    ASN  16           H        ASN  16  -9.500   3.788  -4.719
  104    HA   ASN  16           HA       ASN  16 -12.339   3.970  -4.533
  105    HB2  ASN  16           HB2      ASN  16 -12.409   2.002  -5.792
  106    HB3  ASN  16           HB1      ASN  16 -10.897   2.745  -6.305
  107   HD21  ASN  16          HD21      ASN  16 -12.298  -0.067  -5.355
  108   HD22  ASN  16          HD22      ASN  16 -10.893  -0.928  -4.834
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.589  -2.563   0.825
    2    HA2  GLY   1           HA2      GLY   1  -7.425  -3.906  -1.489
    3    HA3  GLY   1           HA1      GLY   1  -8.166  -2.339  -1.785
    4    H    CYS   2           H        CYS   2  -6.004  -3.736   0.687
    5    HA   CYS   2           HA       CYS   2  -4.086  -1.592   0.117
    6    HB2  CYS   2           HB2      CYS   2  -5.643  -1.155   2.163
    7    HB3  CYS   2           HB1      CYS   2  -4.648  -2.367   2.963
    8    H    TYR   3           H        TYR   3  -2.043  -2.287   0.005
    9    HA   TYR   3           HA       TYR   3  -1.296  -4.781   1.346
   10    HB2  TYR   3           HB2      TYR   3  -0.019  -5.382  -0.805
   11    HB3  TYR   3           HB1      TYR   3  -1.760  -5.638  -0.791
   12    HD1  TYR   3           HD1      TYR   3   0.925  -3.406  -2.005
   13    HD2  TYR   3           HD2      TYR   3  -3.183  -4.474  -2.296
   14    HE1  TYR   3           HE1      TYR   3   0.713  -2.016  -4.023
   15    HE2  TYR   3           HE2      TYR   3  -3.407  -3.089  -4.316
   16    HH   TYR   3           HH       TYR   3  -0.722  -1.832  -5.990
   17    HA   PRO   4           HA       PRO   4   2.447  -2.713   2.328
   18    HB2  PRO   4           HB2      PRO   4   4.229  -4.761   2.304
   19    HB3  PRO   4           HB1      PRO   4   3.012  -4.561   3.572
   20    HG2  PRO   4           HG2      PRO   4   2.972  -6.350   1.171
   21    HG3  PRO   4           HG1      PRO   4   2.488  -6.705   2.840
   22    HD2  PRO   4           HD2      PRO   4   0.695  -6.129   0.893
   23    HD3  PRO   4           HD1      PRO   4   0.434  -5.688   2.593
   24    H    VAL   5           H        VAL   5   4.282  -1.799   1.431
   25    HA   VAL   5           HA       VAL   5   5.093  -2.697  -1.241
   26    HB   VAL   5           HB       VAL   5   5.253  -0.284  -1.945
   27   HG11  VAL   5          HG11      VAL   5   3.506  -1.667  -2.832
   28   HG12  VAL   5          HG12      VAL   5   2.537  -1.458  -1.371
   29   HG13  VAL   5          HG13      VAL   5   2.823  -0.088  -2.445
   30   HG21  VAL   5          HG21      VAL   5   3.965   1.376  -0.773
   31   HG22  VAL   5          HG22      VAL   5   3.413   0.180   0.398
   32   HG23  VAL   5          HG23      VAL   5   5.112   0.649   0.352
   33    HA   PRO   6           HA       PRO   6   9.201  -2.047   0.166
   34    HB2  PRO   6           HB2      PRO   6  10.446  -1.324  -2.137
   35    HB3  PRO   6           HB1      PRO   6   9.902  -2.975  -1.816
   36    HG2  PRO   6           HG2      PRO   6   8.587  -0.829  -3.438
   37    HG3  PRO   6           HG1      PRO   6   8.771  -2.554  -3.804
   38    HD2  PRO   6           HD2      PRO   6   6.468  -1.507  -2.840
   39    HD3  PRO   6           HD1      PRO   6   6.999  -3.157  -2.458
   40    H    TYR   7           H        TYR   7   8.164   0.514  -2.095
   41    HA   TYR   7           HA       TYR   7   9.871   2.455  -0.805
   42    HB2  TYR   7           HB2      TYR   7   9.112   3.992  -2.502
   43    HB3  TYR   7           HB1      TYR   7   9.468   2.449  -3.269
   44    HD1  TYR   7           HD1      TYR   7   7.684   1.071  -4.183
   45    HD2  TYR   7           HD2      TYR   7   6.831   4.810  -2.340
   46    HE1  TYR   7           HE1      TYR   7   5.430   1.034  -5.166
   47    HE2  TYR   7           HE2      TYR   7   4.573   4.783  -3.316
   48    HH   TYR   7           HH       TYR   7   2.973   3.232  -4.210
   49    HA   PRO   8           HA       PRO   8   6.923   3.890   2.138
   50    HB2  PRO   8           HB2      PRO   8   7.981   6.345   2.611
   51    HB3  PRO   8           HB1      PRO   8   8.706   4.852   3.220
   52    HG2  PRO   8           HG2      PRO   8   9.453   6.478   0.820
   53    HG3  PRO   8           HG1      PRO   8  10.506   5.721   2.030
   54    HD2  PRO   8           HD2      PRO   8  10.055   4.620  -0.403
   55    HD3  PRO   8           HD1      PRO   8  10.347   3.641   1.049
   56    HA   PRO   9           HA       PRO   9   5.562   4.990   3.380
   57    HB2  PRO   9           HB2      PRO   9   2.875   4.594   3.365
   58    HB3  PRO   9           HB1      PRO   9   3.613   6.170   3.679
   59    HG2  PRO   9           HG2      PRO   9   2.425   5.105   1.146
   60    HG3  PRO   9           HG1      PRO   9   2.250   6.712   1.875
   61    HD2  PRO   9           HD2      PRO   9   3.944   6.220  -0.179
   62    HD3  PRO   9           HD1      PRO   9   4.284   7.437   1.067
   63    H    PHE  10           H        PHE  10   5.219   2.916   4.216
   64    HA   PHE  10           HA       PHE  10   5.448   0.788   2.318
   65    HB2  PHE  10           HB2      PHE  10   5.136   0.698   5.326
   66    HB3  PHE  10           HB1      PHE  10   5.574  -0.670   4.306
   67    HD1  PHE  10           HD2      PHE  10   7.438   0.785   2.436
   68    HD2  PHE  10           HD1      PHE  10   7.050   0.847   6.675
   69    HE1  PHE  10           HE2      PHE  10   9.813   1.393   2.641
   70    HE2  PHE  10           HE1      PHE  10   9.425   1.457   6.886
   71    HZ   PHE  10           HZ       PHE  10  10.810   1.729   4.867
   72    H    PHE  11           H        PHE  11   2.828   2.441   3.501
   73    HA   PHE  11           HA       PHE  11   1.043   0.118   3.199
   74    HB2  PHE  11           HB2      PHE  11  -0.635   1.661   4.382
   75    HB3  PHE  11           HB1      PHE  11   0.672   0.992   5.352
   76    HD1  PHE  11           HD2      PHE  11   2.548   2.413   6.054
   77    HD2  PHE  11           HD1      PHE  11  -0.806   4.000   3.967
   78    HE1  PHE  11           HE2      PHE  11   3.196   4.684   6.744
   79    HE2  PHE  11           HE1      PHE  11  -0.161   6.273   4.653
   80    HZ   PHE  11           HZ       PHE  11   1.842   6.617   6.044
   81    H    THR  12           H        THR  12   0.074   0.017   1.294
   82    HA   THR  12           HA       THR  12  -0.700   2.535  -0.030
   83    HB   THR  12           HB       THR  12  -0.503   1.169  -2.194
   84    HG1  THR  12           HG1      THR  12  -0.176  -0.842  -0.889
   85   HG21  THR  12          HG21      THR  12   2.019   1.821  -0.663
   86   HG22  THR  12          HG22      THR  12   1.043   2.977  -1.570
   87   HG23  THR  12          HG23      THR  12   1.873   1.671  -2.414
   88    H    CYS  13           H        CYS  13  -2.836   2.736   0.120
   89    HA   CYS  13           HA       CYS  13  -4.499   0.329  -0.230
   90    HB2  CYS  13           HB2      CYS  13  -5.367   2.884   1.119
   91    HB3  CYS  13           HB1      CYS  13  -6.163   1.314   1.162
   92    H    ASP  14           H        ASP  14  -6.689   0.799  -1.172
   93    HA   ASP  14           HA       ASP  14  -6.461   1.855  -3.733
   94    HB2  ASP  14           HB2      ASP  14  -9.051   1.911  -3.596
   95    HB3  ASP  14           HB1      ASP  14  -8.230   0.360  -3.446
   96    HA   PRO  15           HA       PRO  15  -6.963   6.200  -3.417
   97    HB2  PRO  15           HB2      PRO  15  -8.467   6.755  -5.608
   98    HB3  PRO  15           HB1      PRO  15  -6.766   6.284  -5.704
   99    HG2  PRO  15           HG2      PRO  15  -9.218   4.615  -6.108
  100    HG3  PRO  15           HG1      PRO  15  -7.717   4.644  -7.051
  101    HD2  PRO  15           HD2      PRO  15  -8.239   2.738  -5.200
  102    HD3  PRO  15           HD1      PRO  15  -6.594   3.314  -5.539
  103    H    ASN  16           H        ASN  16  -8.411   7.873  -2.875
  104    HA   ASN  16           HA       ASN  16 -11.113   6.951  -2.147
  105    HB2  ASN  16           HB2      ASN  16  -9.345   7.645  -0.332
  106    HB3  ASN  16           HB1      ASN  16  -9.803   9.282  -0.797
  107   HD21  ASN  16          HD21      ASN  16 -10.621   6.534   1.005
  108   HD22  ASN  16          HD22      ASN  16 -12.157   7.074   1.583
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.637   0.112   0.488
    2    HA2  GLY   1           HA2      GLY   1  -8.114  -2.444   0.510
    3    HA3  GLY   1           HA1      GLY   1  -8.105  -2.206  -1.231
    4    H    CYS   2           H        CYS   2  -6.261  -2.162   1.576
    5    HA   CYS   2           HA       CYS   2  -4.150  -0.549   0.316
    6    HB2  CYS   2           HB2      CYS   2  -4.251  -1.469   3.190
    7    HB3  CYS   2           HB1      CYS   2  -3.207  -0.235   2.493
    8    H    TYR   3           H        TYR   3  -2.083  -1.363   0.050
    9    HA   TYR   3           HA       TYR   3  -1.621  -4.172   0.739
   10    HB2  TYR   3           HB2      TYR   3  -0.566  -4.408  -1.601
   11    HB3  TYR   3           HB1      TYR   3  -2.321  -4.460  -1.481
   12    HD1  TYR   3           HD1      TYR   3  -3.672  -2.528  -2.217
   13    HD2  TYR   3           HD2      TYR   3   0.546  -2.632  -2.761
   14    HE1  TYR   3           HE1      TYR   3  -3.843  -0.698  -3.851
   15    HE2  TYR   3           HE2      TYR   3   0.387  -0.802  -4.396
   16    HH   TYR   3           HH       TYR   3  -1.650   1.220  -4.702
   17    HA   PRO   4           HA       PRO   4   2.431  -2.873   1.809
   18    HB2  PRO   4           HB2      PRO   4   3.899  -5.066   1.171
   19    HB3  PRO   4           HB1      PRO   4   2.802  -5.015   2.555
   20    HG2  PRO   4           HG2      PRO   4   2.364  -6.179  -0.168
   21    HG3  PRO   4           HG1      PRO   4   1.935  -6.847   1.417
   22    HD2  PRO   4           HD2      PRO   4   0.129  -5.617  -0.183
   23    HD3  PRO   4           HD1      PRO   4   0.035  -5.553   1.590
   24    H    VAL   5           H        VAL   5   4.267  -1.946   0.965
   25    HA   VAL   5           HA       VAL   5   4.832  -2.339  -1.886
   26    HB   VAL   5           HB       VAL   5   5.208   0.143  -2.099
   27   HG11  VAL   5          HG11      VAL   5   2.447  -0.953  -1.622
   28   HG12  VAL   5          HG12      VAL   5   2.743   0.653  -2.290
   29   HG13  VAL   5          HG13      VAL   5   3.300  -0.780  -3.156
   30   HG21  VAL   5          HG21      VAL   5   5.334   0.740   0.233
   31   HG22  VAL   5          HG22      VAL   5   3.973   1.585  -0.507
   32   HG23  VAL   5          HG23      VAL   5   3.688   0.170   0.506
   33    HA   PRO   6           HA       PRO   6   9.055  -2.374  -0.687
   34    HB2  PRO   6           HB2      PRO   6  10.243  -1.305  -2.883
   35    HB3  PRO   6           HB1      PRO   6   9.547  -2.931  -2.862
   36    HG2  PRO   6           HG2      PRO   6   8.379  -0.383  -3.915
   37    HG3  PRO   6           HG1      PRO   6   8.361  -2.004  -4.635
   38    HD2  PRO   6           HD2      PRO   6   6.235  -0.973  -3.311
   39    HD3  PRO   6           HD1      PRO   6   6.611  -2.709  -3.311
   40    H    TYR   7           H        TYR   7   8.171   0.684  -2.301
   41    HA   TYR   7           HA       TYR   7  10.144   2.153  -0.790
   42    HB2  TYR   7           HB2      TYR   7   9.457   4.068  -2.072
   43    HB3  TYR   7           HB1      TYR   7   9.561   2.691  -3.165
   44    HD1  TYR   7           HD2      TYR   7   7.301   5.044  -1.495
   45    HD2  TYR   7           HD1      TYR   7   7.568   1.756  -4.181
   46    HE1  TYR   7           HE2      TYR   7   4.990   5.460  -2.225
   47    HE2  TYR   7           HE1      TYR   7   5.259   2.163  -4.919
   48    HH   TYR   7           HH       TYR   7   3.699   4.424  -4.920
   49    HA   PRO   8           HA       PRO   8   7.563   3.184   2.629
   50    HB2  PRO   8           HB2      PRO   8   8.902   5.378   3.501
   51    HB3  PRO   8           HB1      PRO   8   9.505   3.732   3.728
   52    HG2  PRO   8           HG2      PRO   8  10.260   5.758   1.656
   53    HG3  PRO   8           HG1      PRO   8  11.303   4.669   2.590
   54    HD2  PRO   8           HD2      PRO   8  10.581   4.156   0.031
   55    HD3  PRO   8           HD1      PRO   8  10.862   2.868   1.221
   56    HA   PRO   9           HA       PRO   9   6.394   4.096   4.171
   57    HB2  PRO   9           HB2      PRO   9   3.686   3.947   4.290
   58    HB3  PRO   9           HB1      PRO   9   4.598   5.347   4.868
   59    HG2  PRO   9           HG2      PRO   9   3.158   4.966   2.271
   60    HG3  PRO   9           HG1      PRO   9   3.191   6.384   3.334
   61    HD2  PRO   9           HD2      PRO   9   4.702   6.207   1.093
   62    HD3  PRO   9           HD1      PRO   9   5.236   7.090   2.538
   63    H    PHE  10           H        PHE  10   5.865   1.930   4.586
   64    HA   PHE  10           HA       PHE  10   5.768   0.254   2.264
   65    HB2  PHE  10           HB2      PHE  10   5.643  -0.465   5.200
   66    HB3  PHE  10           HB1      PHE  10   5.874  -1.607   3.880
   67    HD1  PHE  10           HD1      PHE  10   7.752   0.060   2.212
   68    HD2  PHE  10           HD2      PHE  10   7.645  -0.778   6.383
   69    HE1  PHE  10           HE1      PHE  10  10.185   0.407   2.340
   70    HE2  PHE  10           HE2      PHE  10  10.077  -0.432   6.519
   71    HZ   PHE  10           HZ       PHE  10  11.350   0.162   4.495
   72    H    PHE  11           H        PHE  11   3.412   1.841   3.958
   73    HA   PHE  11           HA       PHE  11   1.380  -0.176   3.258
   74    HB2  PHE  11           HB2      PHE  11  -0.038   1.067   4.996
   75    HB3  PHE  11           HB1      PHE  11   1.271   0.057   5.601
   76    HD1  PHE  11           HD1      PHE  11   3.332   1.085   6.463
   77    HD2  PHE  11           HD2      PHE  11  -0.028   3.426   5.298
   78    HE1  PHE  11           HE1      PHE  11   4.246   3.008   7.698
   79    HE2  PHE  11           HE2      PHE  11   0.882   5.351   6.529
   80    HZ   PHE  11           HZ       PHE  11   3.022   5.144   7.730
   81    H    THR  12           H        THR  12   0.273   0.366   1.509
   82    HA   THR  12           HA       THR  12  -0.367   3.210   1.070
   83    HB   THR  12           HB       THR  12   1.314   2.492  -0.560
   84    HG1  THR  12           HG1      THR  12   0.162   3.182  -2.371
   85   HG21  THR  12          HG21      THR  12   0.513   0.809  -2.317
   86   HG22  THR  12          HG22      THR  12  -0.687   0.319  -1.121
   87   HG23  THR  12          HG23      THR  12   1.033   0.167  -0.759
   88    H    CYS  13           H        CYS  13  -2.397   3.690   0.227
   89    HA   CYS  13           HA       CYS  13  -4.287   1.436   0.066
   90    HB2  CYS  13           HB2      CYS  13  -4.788   4.141   1.328
   91    HB3  CYS  13           HB1      CYS  13  -5.995   2.876   1.119
   92    H    ASP  14           H        ASP  14  -5.717   1.465  -1.591
   93    HA   ASP  14           HA       ASP  14  -5.585   3.777  -3.416
   94    HB2  ASP  14           HB2      ASP  14  -5.603   0.839  -3.901
   95    HB3  ASP  14           HB1      ASP  14  -6.450   1.859  -5.060
   96    HA   PRO  15           HA       PRO  15  -9.924   3.602  -1.856
   97    HB2  PRO  15           HB2      PRO  15 -10.220   6.298  -1.740
   98    HB3  PRO  15           HB1      PRO  15  -9.510   5.352  -0.427
   99    HG2  PRO  15           HG2      PRO  15  -8.148   6.947  -2.564
  100    HG3  PRO  15           HG1      PRO  15  -7.776   6.847  -0.833
  101    HD2  PRO  15           HD2      PRO  15  -6.380   5.476  -2.704
  102    HD3  PRO  15           HD1      PRO  15  -6.642   4.854  -1.062
  103    H    ASN  16           H        ASN  16 -11.876   4.752  -2.787
  104    HA   ASN  16           HA       ASN  16 -11.695   4.653  -5.678
  105    HB2  ASN  16           HB2      ASN  16 -13.963   4.765  -3.710
  106    HB3  ASN  16           HB1      ASN  16 -14.247   5.074  -5.420
  107   HD21  ASN  16          HD21      ASN  16 -15.650   3.149  -5.019
  108   HD22  ASN  16          HD22      ASN  16 -14.942   1.592  -5.264
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -8.858  -0.829  -0.917
    2    HA2  GLY   1           HA2      GLY   1  -7.977  -3.196   0.617
    3    HA3  GLY   1           HA1      GLY   1  -7.954  -3.104  -1.138
    4    H    CYS   2           H        CYS   2  -6.153  -2.733   1.668
    5    HA   CYS   2           HA       CYS   2  -4.126  -1.093   0.307
    6    HB2  CYS   2           HB2      CYS   2  -4.207  -1.803   3.241
    7    HB3  CYS   2           HB1      CYS   2  -3.233  -0.561   2.463
    8    H    TYR   3           H        TYR   3  -2.011  -1.798   0.120
    9    HA   TYR   3           HA       TYR   3  -1.391  -4.515   1.018
   10    HB2  TYR   3           HB2      TYR   3  -0.295  -4.857  -1.289
   11    HB3  TYR   3           HB1      TYR   3  -2.046  -5.008  -1.179
   12    HD1  TYR   3           HD1      TYR   3  -3.501  -3.221  -2.067
   13    HD2  TYR   3           HD2      TYR   3   0.722  -3.107  -2.567
   14    HE1  TYR   3           HE1      TYR   3  -3.762  -1.530  -3.833
   15    HE2  TYR   3           HE2      TYR   3   0.474  -1.414  -4.335
   16    HH   TYR   3           HH       TYR   3  -2.688  -0.477  -5.548
   17    HA   PRO   4           HA       PRO   4   2.562  -2.899   2.023
   18    HB2  PRO   4           HB2      PRO   4   4.166  -5.040   1.561
   19    HB3  PRO   4           HB1      PRO   4   3.050  -4.953   2.928
   20    HG2  PRO   4           HG2      PRO   4   2.717  -6.338   0.295
   21    HG3  PRO   4           HG1      PRO   4   2.308  -6.914   1.922
   22    HD2  PRO   4           HD2      PRO   4   0.453  -5.916   0.221
   23    HD3  PRO   4           HD1      PRO   4   0.333  -5.727   1.982
   24    H    VAL   5           H        VAL   5   4.350  -1.928   1.128
   25    HA   VAL   5           HA       VAL   5   4.974  -2.494  -1.683
   26    HB   VAL   5           HB       VAL   5   5.203  -0.015  -2.074
   27   HG11  VAL   5          HG11      VAL   5   2.511  -1.249  -1.546
   28   HG12  VAL   5          HG12      VAL   5   2.707   0.330  -2.311
   29   HG13  VAL   5          HG13      VAL   5   3.368  -1.114  -3.081
   30   HG21  VAL   5          HG21      VAL   5   3.678   0.096   0.524
   31   HG22  VAL   5          HG22      VAL   5   5.267   0.783   0.190
   32   HG23  VAL   5          HG23      VAL   5   3.836   1.450  -0.596
   33    HA   PRO   6           HA       PRO   6   9.176  -2.186  -0.450
   34    HB2  PRO   6           HB2      PRO   6  10.325  -1.211  -2.707
   35    HB3  PRO   6           HB1      PRO   6   9.726  -2.868  -2.573
   36    HG2  PRO   6           HG2      PRO   6   8.422  -0.480  -3.821
   37    HG3  PRO   6           HG1      PRO   6   8.510  -2.147  -4.419
   38    HD2  PRO   6           HD2      PRO   6   6.310  -1.152  -3.192
   39    HD3  PRO   6           HD1      PRO   6   6.788  -2.858  -3.061
   40    H    TYR   7           H        TYR   7   8.131   0.688  -2.291
   41    HA   TYR   7           HA       TYR   7   9.994   2.380  -0.875
   42    HB2  TYR   7           HB2      TYR   7   9.112   4.177  -2.272
   43    HB3  TYR   7           HB1      TYR   7   9.494   2.768  -3.257
   44    HD1  TYR   7           HD2      TYR   7   6.755   4.760  -1.803
   45    HD2  TYR   7           HD1      TYR   7   7.785   1.590  -4.448
   46    HE1  TYR   7           HE2      TYR   7   4.471   4.788  -2.716
   47    HE2  TYR   7           HE1      TYR   7   5.505   1.611  -5.369
   48    HH   TYR   7           HH       TYR   7   2.939   3.162  -3.893
   49    HA   PRO   8           HA       PRO   8   7.310   3.501   2.435
   50    HB2  PRO   8           HB2      PRO   8   8.505   5.830   3.154
   51    HB3  PRO   8           HB1      PRO   8   9.202   4.244   3.507
   52    HG2  PRO   8           HG2      PRO   8   9.861   6.155   1.299
   53    HG3  PRO   8           HG1      PRO   8  10.956   5.203   2.319
   54    HD2  PRO   8           HD2      PRO   8  10.299   4.460  -0.201
   55    HD3  PRO   8           HD1      PRO   8  10.641   3.283   1.083
   56    HA   PRO   9           HA       PRO   9   6.070   4.453   3.896
   57    HB2  PRO   9           HB2      PRO   9   3.375   4.150   4.002
   58    HB3  PRO   9           HB1      PRO   9   4.193   5.641   4.483
   59    HG2  PRO   9           HG2      PRO   9   2.813   4.983   1.910
   60    HG3  PRO   9           HG1      PRO   9   2.748   6.475   2.864
   61    HD2  PRO   9           HD2      PRO   9   4.294   6.226   0.655
   62    HD3  PRO   9           HD1      PRO   9   4.757   7.242   2.035
   63    H    PHE  10           H        PHE  10   5.668   2.295   4.464
   64    HA   PHE  10           HA       PHE  10   5.700   0.450   2.273
   65    HB2  PHE  10           HB2      PHE  10   5.579  -0.056   5.253
   66    HB3  PHE  10           HB1      PHE  10   5.895  -1.278   4.026
   67    HD1  PHE  10           HD2      PHE  10   7.692   0.371   2.252
   68    HD2  PHE  10           HD1      PHE  10   7.581  -0.161   6.474
   69    HE1  PHE  10           HE2      PHE  10  10.099   0.870   2.375
   70    HE2  PHE  10           HE1      PHE  10   9.987   0.338   6.604
   71    HZ   PHE  10           HZ       PHE  10  11.249   0.853   4.553
   72    H    PHE  11           H        PHE  11   3.231   2.011   3.829
   73    HA   PHE  11           HA       PHE  11   1.332  -0.170   3.261
   74    HB2  PHE  11           HB2      PHE  11  -0.179   1.109   4.891
   75    HB3  PHE  11           HB1      PHE  11   1.180   0.226   5.580
   76    HD1  PHE  11           HD2      PHE  11   3.164   1.439   6.382
   77    HD2  PHE  11           HD1      PHE  11  -0.312   3.479   5.016
   78    HE1  PHE  11           HE2      PHE  11   3.946   3.498   7.477
   79    HE2  PHE  11           HE1      PHE  11   0.465   5.542   6.108
   80    HZ   PHE  11           HZ       PHE  11   2.596   5.553   7.342
   81    H    THR  12           H        THR  12   0.218   0.174   1.468
   82    HA   THR  12           HA       THR  12  -0.584   2.933   0.814
   83    HB   THR  12           HB       THR  12   1.156   2.201  -0.744
   84    HG1  THR  12           HG1      THR  12  -0.079   2.566  -2.658
   85   HG21  THR  12          HG21      THR  12   0.479   0.347  -2.379
   86   HG22  THR  12          HG22      THR  12  -0.702  -0.126  -1.157
   87   HG23  THR  12          HG23      THR  12   1.019  -0.145  -0.773
   88    H    CYS  13           H        CYS  13  -2.630   3.228  -0.071
   89    HA   CYS  13           HA       CYS  13  -4.380   0.859  -0.082
   90    HB2  CYS  13           HB2      CYS  13  -5.055   3.615   0.971
   91    HB3  CYS  13           HB1      CYS  13  -6.184   2.269   0.845
   92    H    ASP  14           H        ASP  14  -6.494   1.335  -1.247
   93    HA   ASP  14           HA       ASP  14  -5.898   2.892  -3.676
   94    HB2  ASP  14           HB2      ASP  14  -6.160   0.405  -3.945
   95    HB3  ASP  14           HB1      ASP  14  -7.833   0.584  -3.426
   96    HA   PRO  15           HA       PRO  15  -9.372   5.115  -1.608
   97    HB2  PRO  15           HB2      PRO  15  -8.482   7.587  -2.293
   98    HB3  PRO  15           HB1      PRO  15  -7.923   6.730  -0.850
   99    HG2  PRO  15           HG2      PRO  15  -6.609   6.991  -3.527
  100    HG3  PRO  15           HG1      PRO  15  -5.889   7.109  -1.913
  101    HD2  PRO  15           HD2      PRO  15  -5.708   4.873  -3.429
  102    HD3  PRO  15           HD1      PRO  15  -5.782   4.820  -1.656
  103    H    ASN  16           H        ASN  16 -11.174   6.007  -2.563
  104    HA   ASN  16           HA       ASN  16 -11.336   5.745  -5.448
  105    HB2  ASN  16           HB2      ASN  16 -13.098   4.901  -3.794
  106    HB3  ASN  16           HB1      ASN  16 -13.566   6.587  -3.601
  107   HD21  ASN  16          HD21      ASN  16 -15.199   4.489  -4.593
  108   HD22  ASN  16          HD22      ASN  16 -15.618   4.881  -6.222
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -9.445  -3.078   1.254
    2    HA2  GLY   1           HA2      GLY   1  -7.993  -3.477  -0.632
    3    HA3  GLY   1           HA1      GLY   1  -8.603  -1.837  -0.794
    4    H    CYS   2           H        CYS   2  -6.301  -2.774   1.669
    5    HA   CYS   2           HA       CYS   2  -4.309  -1.052   0.358
    6    HB2  CYS   2           HB2      CYS   2  -4.377  -1.905   3.256
    7    HB3  CYS   2           HB1      CYS   2  -3.360  -0.662   2.536
    8    H    TYR   3           H        TYR   3  -2.194  -1.731   0.097
    9    HA   TYR   3           HA       TYR   3  -1.541  -4.486   0.844
   10    HB2  TYR   3           HB2      TYR   3  -0.484  -4.700  -1.497
   11    HB3  TYR   3           HB1      TYR   3  -2.231  -4.871  -1.364
   12    HD1  TYR   3           HD2      TYR   3  -3.715  -3.053  -2.132
   13    HD2  TYR   3           HD1      TYR   3   0.498  -2.876  -2.700
   14    HE1  TYR   3           HE2      TYR   3  -4.021  -1.276  -3.805
   15    HE2  TYR   3           HE1      TYR   3   0.204  -1.099  -4.375
   16    HH   TYR   3           HH       TYR   3  -2.422  -0.468  -5.944
   17    HA   PRO   4           HA       PRO   4   2.421  -2.895   1.859
   18    HB2  PRO   4           HB2      PRO   4   4.030  -4.997   1.258
   19    HB3  PRO   4           HB1      PRO   4   2.938  -4.990   2.647
   20    HG2  PRO   4           HG2      PRO   4   2.566  -6.239  -0.046
   21    HG3  PRO   4           HG1      PRO   4   2.190  -6.902   1.555
   22    HD2  PRO   4           HD2      PRO   4   0.298  -5.830  -0.058
   23    HD3  PRO   4           HD1      PRO   4   0.209  -5.733   1.713
   24    H    VAL   5           H        VAL   5   4.218  -1.901   0.990
   25    HA   VAL   5           HA       VAL   5   4.761  -2.292  -1.868
   26    HB   VAL   5           HB       VAL   5   5.018   0.203  -2.105
   27   HG11  VAL   5          HG11      VAL   5   2.587   0.605  -2.364
   28   HG12  VAL   5          HG12      VAL   5   3.119  -0.920  -3.071
   29   HG13  VAL   5          HG13      VAL   5   2.278  -0.911  -1.521
   30   HG21  VAL   5          HG21      VAL   5   3.406   0.271   0.442
   31   HG22  VAL   5          HG22      VAL   5   5.117   0.681   0.325
   32   HG23  VAL   5          HG23      VAL   5   3.918   1.654  -0.525
   33    HA   PRO   6           HA       PRO   6   8.998  -2.125  -0.730
   34    HB2  PRO   6           HB2      PRO   6  10.103  -1.023  -2.952
   35    HB3  PRO   6           HB1      PRO   6   9.483  -2.677  -2.907
   36    HG2  PRO   6           HG2      PRO   6   8.185  -0.195  -3.964
   37    HG3  PRO   6           HG1      PRO   6   8.230  -1.822  -4.669
   38    HD2  PRO   6           HD2      PRO   6   6.079  -0.877  -3.323
   39    HD3  PRO   6           HD1      PRO   6   6.533  -2.593  -3.314
   40    H    TYR   7           H        TYR   7   7.956   0.875  -2.360
   41    HA   TYR   7           HA       TYR   7   9.867   2.439  -0.849
   42    HB2  TYR   7           HB2      TYR   7   9.168   4.297  -2.192
   43    HB3  TYR   7           HB1      TYR   7   9.306   2.901  -3.255
   44    HD1  TYR   7           HD1      TYR   7   7.299   1.842  -4.183
   45    HD2  TYR   7           HD2      TYR   7   7.031   5.319  -1.746
   46    HE1  TYR   7           HE1      TYR   7   4.991   2.197  -4.953
   47    HE2  TYR   7           HE2      TYR   7   4.722   5.683  -2.509
   48    HH   TYR   7           HH       TYR   7   2.938   4.650  -3.537
   49    HA   PRO   8           HA       PRO   8   7.175   3.459   2.485
   50    HB2  PRO   8           HB2      PRO   8   8.395   5.737   3.318
   51    HB3  PRO   8           HB1      PRO   8   9.067   4.127   3.603
   52    HG2  PRO   8           HG2      PRO   8   9.769   6.127   1.489
   53    HG3  PRO   8           HG1      PRO   8  10.843   5.115   2.472
   54    HD2  PRO   8           HD2      PRO   8  10.196   4.496  -0.083
   55    HD3  PRO   8           HD1      PRO   8  10.513   3.258   1.147
   56    HA   PRO   9           HA       PRO   9   5.977   4.410   4.010
   57    HB2  PRO   9           HB2      PRO   9   3.277   4.163   4.140
   58    HB3  PRO   9           HB1      PRO   9   4.133   5.622   4.652
   59    HG2  PRO   9           HG2      PRO   9   2.710   5.066   2.078
   60    HG3  PRO   9           HG1      PRO   9   2.688   6.533   3.074
   61    HD2  PRO   9           HD2      PRO   9   4.204   6.311   0.841
   62    HD3  PRO   9           HD1      PRO   9   4.705   7.279   2.242
   63    H    PHE  10           H        PHE  10   5.611   2.244   4.498
   64    HA   PHE  10           HA       PHE  10   5.555   0.464   2.267
   65    HB2  PHE  10           HB2      PHE  10   5.447  -0.126   5.233
   66    HB3  PHE  10           HB1      PHE  10   5.730  -1.316   3.968
   67    HD1  PHE  10           HD1      PHE  10   7.545   0.352   2.229
   68    HD2  PHE  10           HD2      PHE  10   7.457  -0.307   6.433
   69    HE1  PHE  10           HE1      PHE  10   9.960   0.803   2.346
   70    HE2  PHE  10           HE2      PHE  10   9.873   0.144   6.557
   71    HZ   PHE  10           HZ       PHE  10  11.127   0.699   4.512
   72    H    PHE  11           H        PHE  11   3.133   2.003   3.946
   73    HA   PHE  11           HA       PHE  11   1.192  -0.138   3.388
   74    HB2  PHE  11           HB2      PHE  11  -0.300   1.257   4.948
   75    HB3  PHE  11           HB1      PHE  11   1.027   0.363   5.682
   76    HD1  PHE  11           HD1      PHE  11   3.029   1.537   6.471
   77    HD2  PHE  11           HD2      PHE  11  -0.343   3.641   4.948
   78    HE1  PHE  11           HE1      PHE  11   3.871   3.615   7.485
   79    HE2  PHE  11           HE2      PHE  11   0.494   5.722   5.960
   80    HZ   PHE  11           HZ       PHE  11   2.603   5.712   7.229
   81    H    THR  12           H        THR  12   0.084   0.140   1.579
   82    HA   THR  12           HA       THR  12  -0.645   2.883   0.781
   83    HB   THR  12           HB       THR  12  -0.637   1.964  -1.601
   84    HG1  THR  12           HG1      THR  12  -0.457  -0.263  -0.987
   85   HG21  THR  12          HG21      THR  12   2.010   2.128  -0.154
   86   HG22  THR  12          HG22      THR  12   1.074   3.508  -0.730
   87   HG23  THR  12          HG23      THR  12   1.750   2.357  -1.883
   88    H    CYS  13           H        CYS  13  -2.701   3.215  -0.022
   89    HA   CYS  13           HA       CYS  13  -4.515   0.899  -0.020
   90    HB2  CYS  13           HB2      CYS  13  -5.099   3.616   1.179
   91    HB3  CYS  13           HB1      CYS  13  -6.243   2.283   1.058
   92    H    ASP  14           H        ASP  14  -6.569   1.329  -1.178
   93    HA   ASP  14           HA       ASP  14  -6.128   2.208  -3.778
   94    HB2  ASP  14           HB2      ASP  14  -8.720   2.307  -3.843
   95    HB3  ASP  14           HB1      ASP  14  -7.940   0.759  -3.529
   96    HA   PRO  15           HA       PRO  15  -6.576   6.571  -3.787
   97    HB2  PRO  15           HB2      PRO  15  -7.899   6.996  -6.119
   98    HB3  PRO  15           HB1      PRO  15  -6.204   6.499  -6.054
   99    HG2  PRO  15           HG2      PRO  15  -8.648   4.839  -6.534
  100    HG3  PRO  15           HG1      PRO  15  -7.079   4.785  -7.359
  101    HD2  PRO  15           HD2      PRO  15  -7.773   3.014  -5.432
  102    HD3  PRO  15           HD1      PRO  15  -6.098   3.545  -5.682
  103    H    ASN  16           H        ASN  16  -9.587   4.945  -4.796
  104    HA   ASN  16           HA       ASN  16 -11.226   7.108  -3.849
  105    HB2  ASN  16           HB2      ASN  16 -11.796   5.594  -5.796
  106    HB3  ASN  16           HB1      ASN  16 -12.133   4.330  -4.617
  107   HD21  ASN  16          HD21      ASN  16 -13.917   4.529  -3.260
  108   HD22  ASN  16          HD22      ASN  16 -15.204   5.632  -3.600
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -8.363  -0.959   1.139
    2    HA2  GLY   1           HA2      GLY   1  -7.780  -3.015  -0.827
    3    HA3  GLY   1           HA1      GLY   1  -8.227  -1.451  -1.493
    4    H    CYS   2           H        CYS   2  -6.187  -2.480   1.244
    5    HA   CYS   2           HA       CYS   2  -4.044  -0.786   0.136
    6    HB2  CYS   2           HB2      CYS   2  -4.472  -1.562   3.028
    7    HB3  CYS   2           HB1      CYS   2  -3.249  -0.457   2.409
    8    H    TYR   3           H        TYR   3  -1.987  -1.594  -0.025
    9    HA   TYR   3           HA       TYR   3  -1.496  -4.333   0.890
   10    HB2  TYR   3           HB2      TYR   3  -0.360  -4.741  -1.375
   11    HB3  TYR   3           HB1      TYR   3  -2.119  -4.778  -1.335
   12    HD1  TYR   3           HD2      TYR   3  -3.413  -2.853  -2.234
   13    HD2  TYR   3           HD1      TYR   3   0.814  -3.109  -2.652
   14    HE1  TYR   3           HE2      TYR   3  -3.492  -1.153  -4.009
   15    HE2  TYR   3           HE1      TYR   3   0.746  -1.408  -4.428
   16    HH   TYR   3           HH       TYR   3  -0.947  -0.548  -6.091
   17    HA   PRO   4           HA       PRO   4   2.483  -2.864   2.013
   18    HB2  PRO   4           HB2      PRO   4   4.017  -5.065   1.604
   19    HB3  PRO   4           HB1      PRO   4   2.864  -4.933   2.937
   20    HG2  PRO   4           HG2      PRO   4   2.558  -6.312   0.297
   21    HG3  PRO   4           HG1      PRO   4   2.078  -6.866   1.912
   22    HD2  PRO   4           HD2      PRO   4   0.315  -5.803   0.154
   23    HD3  PRO   4           HD1      PRO   4   0.149  -5.605   1.910
   24    H    VAL   5           H        VAL   5   4.335  -1.969   1.172
   25    HA   VAL   5           HA       VAL   5   5.014  -2.561  -1.621
   26    HB   VAL   5           HB       VAL   5   5.359  -0.102  -2.012
   27   HG11  VAL   5          HG11      VAL   5   2.983   0.360  -2.442
   28   HG12  VAL   5          HG12      VAL   5   3.442  -1.268  -2.943
   29   HG13  VAL   5          HG13      VAL   5   2.543  -1.026  -1.445
   30   HG21  VAL   5          HG21      VAL   5   3.789   0.106   0.554
   31   HG22  VAL   5          HG22      VAL   5   5.433   0.680   0.266
   32   HG23  VAL   5          HG23      VAL   5   4.074   1.444  -0.559
   33    HA   PRO   6           HA       PRO   6   9.191  -2.446  -0.273
   34    HB2  PRO   6           HB2      PRO   6  10.444  -1.518  -2.495
   35    HB3  PRO   6           HB1      PRO   6   9.769  -3.148  -2.383
   36    HG2  PRO   6           HG2      PRO   6   8.608  -0.700  -3.657
   37    HG3  PRO   6           HG1      PRO   6   8.636  -2.368  -4.258
   38    HD2  PRO   6           HD2      PRO   6   6.451  -1.278  -3.090
   39    HD3  PRO   6           HD1      PRO   6   6.848  -3.003  -2.950
   40    H    TYR   7           H        TYR   7   8.325   0.477  -2.132
   41    HA   TYR   7           HA       TYR   7  10.224   2.080  -0.662
   42    HB2  TYR   7           HB2      TYR   7   9.525   3.899  -2.091
   43    HB3  TYR   7           HB1      TYR   7   9.747   2.457  -3.078
   44    HD1  TYR   7           HD2      TYR   7   7.257   4.738  -1.609
   45    HD2  TYR   7           HD1      TYR   7   7.901   1.443  -4.224
   46    HE1  TYR   7           HE2      TYR   7   4.975   4.998  -2.491
   47    HE2  TYR   7           HE1      TYR   7   5.622   1.695  -5.112
   48    HH   TYR   7           HH       TYR   7   3.250   3.314  -3.659
   49    HA   PRO   8           HA       PRO   8   7.508   3.306   2.585
   50    HB2  PRO   8           HB2      PRO   8   8.794   5.570   3.352
   51    HB3  PRO   8           HB1      PRO   8   9.404   3.951   3.712
   52    HG2  PRO   8           HG2      PRO   8  10.214   5.839   1.535
   53    HG3  PRO   8           HG1      PRO   8  11.233   4.830   2.578
   54    HD2  PRO   8           HD2      PRO   8  10.610   4.135   0.037
   55    HD3  PRO   8           HD1      PRO   8  10.861   2.935   1.321
   56    HA   PRO   9           HA       PRO   9   6.263   4.291   4.009
   57    HB2  PRO   9           HB2      PRO   9   3.554   4.110   4.022
   58    HB3  PRO   9           HB1      PRO   9   4.423   5.556   4.549
   59    HG2  PRO   9           HG2      PRO   9   3.101   4.992   1.923
   60    HG3  PRO   9           HG1      PRO   9   3.072   6.474   2.894
   61    HD2  PRO   9           HD2      PRO   9   4.678   6.179   0.734
   62    HD3  PRO   9           HD1      PRO   9   5.140   7.159   2.141
   63    H    PHE  10           H        PHE  10   5.712   2.150   4.544
   64    HA   PHE  10           HA       PHE  10   5.739   0.330   2.325
   65    HB2  PHE  10           HB2      PHE  10   5.513  -0.209   5.294
   66    HB3  PHE  10           HB1      PHE  10   5.814  -1.425   4.056
   67    HD1  PHE  10           HD1      PHE  10   7.723   0.206   2.367
   68    HD2  PHE  10           HD2      PHE  10   7.479  -0.449   6.566
   69    HE1  PHE  10           HE1      PHE  10  10.143   0.602   2.566
   70    HE2  PHE  10           HE2      PHE  10   9.898  -0.053   6.772
   71    HZ   PHE  10           HZ       PHE  10  11.233   0.475   4.771
   72    H    PHE  11           H        PHE  11   3.302   2.004   3.774
   73    HA   PHE  11           HA       PHE  11   1.323  -0.096   3.175
   74    HB2  PHE  11           HB2      PHE  11  -0.181   1.270   4.738
   75    HB3  PHE  11           HB1      PHE  11   1.115   0.341   5.483
   76    HD1  PHE  11           HD1      PHE  11   3.124   1.477   6.333
   77    HD2  PHE  11           HD2      PHE  11  -0.215   3.645   4.826
   78    HE1  PHE  11           HE1      PHE  11   3.960   3.518   7.426
   79    HE2  PHE  11           HE2      PHE  11   0.616   5.689   5.916
   80    HZ   PHE  11           HZ       PHE  11   2.706   5.627   7.218
   81    H    THR  12           H        THR  12   0.273   0.274   1.349
   82    HA   THR  12           HA       THR  12  -0.250   3.067   0.563
   83    HB   THR  12           HB       THR  12   1.323   1.778  -0.936
   84    HG1  THR  12           HG1      THR  12   0.483   2.802  -2.668
   85   HG21  THR  12          HG21      THR  12   0.760  -0.197  -1.815
   86   HG22  THR  12          HG22      THR  12  -0.800   0.419  -2.361
   87   HG23  THR  12          HG23      THR  12  -0.622  -0.202  -0.720
   88    H    CYS  13           H        CYS  13  -2.259   3.554  -0.388
   89    HA   CYS  13           HA       CYS  13  -4.314   1.472  -0.314
   90    HB2  CYS  13           HB2      CYS  13  -4.538   4.138   1.098
   91    HB3  CYS  13           HB1      CYS  13  -5.866   3.002   0.878
   92    H    ASP  14           H        ASP  14  -5.883   1.688  -1.841
   93    HA   ASP  14           HA       ASP  14  -5.707   4.060  -3.582
   94    HB2  ASP  14           HB2      ASP  14  -4.883   1.926  -4.608
   95    HB3  ASP  14           HB1      ASP  14  -6.507   1.270  -4.425
   96    HA   PRO  15           HA       PRO  15  -9.958   4.014  -1.796
   97    HB2  PRO  15           HB2      PRO  15 -10.124   6.714  -1.572
   98    HB3  PRO  15           HB1      PRO  15  -9.386   5.691  -0.335
   99    HG2  PRO  15           HG2      PRO  15  -8.074   7.302  -2.490
  100    HG3  PRO  15           HG1      PRO  15  -7.611   7.124  -0.788
  101    HD2  PRO  15           HD2      PRO  15  -6.385   5.763  -2.782
  102    HD3  PRO  15           HD1      PRO  15  -6.584   5.092  -1.150
  103    H    ASN  16           H        ASN  16 -11.925   5.124  -2.608
  104    HA   ASN  16           HA       ASN  16 -11.670   5.993  -5.406
  105    HB2  ASN  16           HB2      ASN  16 -12.474   3.548  -5.017
  106    HB3  ASN  16           HB1      ASN  16 -13.986   4.299  -4.516
  107   HD21  ASN  16          HD21      ASN  16 -15.428   4.388  -6.062
  108   HD22  ASN  16          HD22      ASN  16 -15.111   4.584  -7.750