*HEADER    PLANT PROTEIN                           24-JAN-16   2NB5              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 9 (PDP-9)              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PREPROALBUMIN PAWS1;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 36-52;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PERYMENIUM MACROCEPHALUM;                       
*SOURCE   4 ORGANISM_TAXID: 183067;                                              
*SOURCE   5 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS FOLLOWED BY CYCLIZATION 
*SOURCE   6 THROUGH NATIVE CHEMICAL LIGATION.                                    
*KEYWDS    CYCLIC BACKBONE, PLANT PEPTIDE, PLANT PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.A.ARMSTRONG, B.FRANKE, A.G.ELLIOTT, J.S.MYLNE, K.J.ROSENGREN        
*REVDAT   1   29-JUN-16 2NB5    0                                                


# 1 GLY weak
# 3 CYSS N  2 ASP OD1
# 3 CYSS H  2 ASP OD1
 4 TYR N  13 THR O 3.3
 4 TYR H  13 THR 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 N 6 THR O 3.3
# 11 PHE H 6 THR O 2.3
# 12 PHE
 13 THR N  4 TYR O 3.3
 13 THR H  4 TYR O 2.3
 # 14 CYSS
 15 THR N  2 ASP O 3.3
 15 THR H  2 ASP O 2.3
 11 PHE  H      11 PHE  HB2     3.84            #peak 6 #SUP 1.00
 15 THR  H      15 THR  QG2     3.13            #peak 7 #SUP 0.77 #QF 0.77
 14 CYSS H      14 CYSS QB      2.74            #peak 8 #SUP 0.69 #QF 0.69
 14 CYSS QB     15 THR  H       3.20            #peak 9 #SUP 0.91 #QF 0.91
 14 CYSS HA     15 THR  H       2.61            #peak 10 #SUP 0.81 #QF 0.81
 13 THR  H      13 THR  HB      3.59            #peak 13 #SUP 0.95 #QF 0.95
 13 THR  H      13 THR  QG2     3.97            #peak 14 #SUP 1.00
 12 PHE  H      12 PHE  HB2     3.71            #peak 28 #SUP 0.94 #QF 0.94
 10 PRO  HB2    12 PHE  H       3.89            #peak 29 #SUP 0.99 #QF 0.71
 12 PHE  HB3    13 THR  H       4.35            #peak 32 #SUP 0.99 #QF 0.99
 11 PHE  H      11 PHE  HB3     3.88            #peak 49 #SUP 1.00
  6 THR  H       6 THR  HB      4.18            #peak 78 #SUP 1.00
  8 THR  H       8 THR  QG2     4.12            #peak 84 #SUP 1.00
  6 THR  HA      7 SER  H       2.93            #peak 91 #SUP 0.84 #QF 0.84
  7 SER  H       7 SER  HB3     3.12            #peak 96 #SUP 0.88 #QF 0.88
  6 THR  HB      7 SER  H       2.91            #peak 97 #SUP 0.85 #QF 0.85
  6 THR  QG2     7 SER  H       3.85            #peak 100 #SUP 1.00
  6 THR  H      11 PHE  HA      3.86            #peak 108 #SUP 0.69 #QF 0.69
  5 TRP  H       5 TRP  HB3     2.76            #peak 115 #SUP 0.84 #QF 0.84
  5 TRP  H       5 TRP  HB2     3.13            #peak 121 #SUP 0.98 #QF 0.98
  6 THR  H       6 THR  QG2     3.48            #peak 131 #SUP 0.95 #QF 0.95
  3 CYSS HB2     4 TYR  H       3.26            #peak 133 #SUP 0.67 #QF 0.67
  5 TRP  HA      6 THR  H       2.42            #peak 138 #SUP 0.71 #QF 0.71
  5 TRP  HB2     6 THR  H       3.83            #peak 139 #SUP 0.99 #QF 0.99
  5 TRP  HB3     6 THR  H       4.53            #peak 140 #SUP 1.00
  4 TYR  HB3     5 TRP  H       3.97            #peak 142 #SUP 1.00
  4 TYR  HB2     5 TRP  H       3.97            #peak 143 #SUP 0.96 #QF 0.96
  4 TYR  HA      5 TRP  H       2.42            #peak 144 #SUP 0.63 #QF 0.63
  3 CYSS H       3 CYSS HB2     3.83            #peak 150 #SUP 0.98 #QF 0.98
  3 CYSS H       3 CYSS HB3     3.83            #peak 151 #SUP 1.00
  3 CYSS HB3     4 TYR  H       3.26            #peak 152 #SUP 0.94 #QF 0.94
  3 CYSS HA      4 TYR  H       2.68            #peak 154 #SUP 0.88 #QF 0.88
  2 ASP  H       2 ASP  HB2     4.15            #peak 155 #SUP 1.00
  2 ASP  HB2     3 CYSS H       4.10            #peak 157 #SUP 0.99 #QF 0.99
  2 ASP  HA      3 CYSS H       2.41            #peak 158 #SUP 0.55 #QF 0.55
 17 ASP  H      17 ASP  QB      3.05            #peak 163 #SUP 0.95 #QF 0.95
 15 THR  HB     17 ASP  H       3.09            #peak 164 #SUP 0.99 #QF 0.23
  1 GLY  H      17 ASP  HA      3.71            #peak 166 #SUP 0.87 #QF 0.87
  1 GLY  H      17 ASP  QB      4.13            #peak 167 #SUP 0.95 #QF 0.95
 15 THR  H      15 THR  HB      4.11            #peak 168 #SUP 1.00
 13 THR  HA     14 CYSS H       2.65            #peak 169 #SUP 0.67 #QF 0.67
 13 THR  HB     14 CYSS H       4.20            #peak 170 #SUP 1.00
 13 THR  QG2    14 CYSS H       3.73            #peak 171 #SUP 0.98 #QF 0.98
  6 THR  QG2    13 THR  H       3.98            #peak 214 #SUP 0.90 #QF 0.90
  4 TYR  HA      4 TYR  QD      3.79            #peak 215 #SUP 0.99 #QF 0.99
  5 TRP  HB3     5 TRP  HD1     3.49            #peak 216 #SUP 0.94 #QF 0.94
  5 TRP  HA      5 TRP  HE3     3.97            #peak 221 #SUP 0.93 #QF 0.93
  5 TRP  HB2     5 TRP  HE3     3.41            #peak 225 #SUP 0.84 #QF 0.84
 12 PHE  HA     12 PHE  QD      3.64            #peak 236 #SUP 0.98 #QF 0.98
 11 PHE  HA     11 PHE  QD      2.56            #peak 242 #SUP 0.62 #QF 0.62
 11 PHE  HB2    12 PHE  H       4.14            #peak 244 #SUP 0.93 #QF 0.93
 11 PHE  HB3    12 PHE  H       5.45            #peak 245 #SUP 1.00 #QF 0.48
  5 TRP  HH2    11 PHE  HB2     4.39            #peak 249 #SUP 0.65 #QF 0.65
  9 PRO  HD3    11 PHE  QD      4.10            #peak 250 #SUP 1.00
  9 PRO  HD3    11 PHE  QE      4.29            #peak 251 #SUP 1.00
  9 PRO  HD3    11 PHE  HZ      4.84            #peak 252 #SUP 1.00
  5 TRP  HH2    11 PHE  HB3     4.35            #peak 255 #SUP 0.65 #QF 0.65
  9 PRO  HG3    11 PHE  QE      3.72            #peak 257 #SUP 0.98 #QF 0.98
  9 PRO  HB3    11 PHE  HZ      4.70            #peak 261 #SUP 0.94 #QF 0.94
  5 TRP  HA      5 TRP  HD1     4.68            #peak 300 #SUP 1.00
  5 TRP  HB2     5 TRP  HD1     3.81            #peak 301 #SUP 1.00
 10 PRO  HA     11 PHE  H       3.32            #peak 303 #SUP 0.98 #QF 0.98
  9 PRO  HB3    11 PHE  QE      5.36            #peak 312 #SUP 0.94 #QF 0.94
  9 PRO  HB3    11 PHE  QD      4.66            #peak 313 #SUP 0.94 #QF 0.94
 12 PHE  HA     13 THR  H       3.07            #peak 318 #SUP 0.60 #QF 0.60
 11 PHE  H      11 PHE  HA      2.82            #peak 323 #SUP 0.97 #QF 0.97
  9 PRO  HA     11 PHE  H       2.73            #peak 325 #SUP 0.71 #QF 0.71
  2 ASP  H       2 ASP  HB3     4.15            #peak 330 #SUP 0.89 #QF 0.89
  2 ASP  HB3     3 CYSS H       4.10            #peak 331 #SUP 0.99 #QF 0.99
  7 SER  H       7 SER  HB2     3.12            #peak 341 #SUP 0.86 #QF 0.86
 12 PHE  HB2    13 THR  H       4.89            #peak 351 #SUP 1.00
  4 TYR  QD     13 THR  QG2     4.41            #peak 360 #SUP 1.00
  4 TYR  QE     13 THR  QG2     3.63            #peak 361 #SUP 0.92 #QF 0.92
  4 TYR  QD      6 THR  QG2     3.41            #peak 362 #SUP 0.95 #QF 0.95
  4 TYR  QE      6 THR  QG2     3.29            #peak 363 #SUP 0.93 #QF 0.93
  4 TYR  QE     15 THR  QG2     3.26            #peak 364 #SUP 0.80 #QF 0.80
  4 TYR  QD     15 THR  QG2     3.75            #peak 365 #SUP 0.92 #QF 0.92
  6 THR  QG2     8 THR  H       5.02            #peak 366 #SUP 1.00
  6 THR  HB      8 THR  H       3.58            #peak 367 #SUP 0.78 #QF 0.78
  4 TYR  H      12 PHE  HA      4.92            #peak 368 #SUP 0.85 #QF 0.85
  4 TYR  H      13 THR  QG2     4.57            #peak 369 #SUP 0.93 #QF 0.93
  6 THR  H      12 PHE  HA      3.35            #peak 370 #SUP 0.79 #QF 0.79
  9 PRO  HA     11 PHE  QD      3.93            #peak 371 #SUP 1.00
  9 PRO  HA     11 PHE  QE      3.98            #peak 372 #SUP 1.00
  9 PRO  HA     11 PHE  HZ      5.15            #peak 373 #SUP 1.00
  3 CYSS HA     15 THR  H       3.34            #peak 374 #SUP 0.78 #QF 0.78
  9 PRO  HB3    11 PHE  H       4.19            #peak 375 #SUP 0.61 #QF 0.61
  6 THR  H      11 PHE  HB3     4.41            #peak 377 #SUP 0.74 #QF 0.74
  5 TRP  HE3     6 THR  HA      5.50            #peak 378 #SUP 0.73 #QF 0.73
 10 PRO  QD     12 PHE  H       5.50            #peak 379 #SUP 0.43 #QF 0.43
 10 PRO  HA     11 PHE  QD      4.48            #peak 381 #SUP 1.00
 10 PRO  HA     11 PHE  QE      5.12            #peak 382 #SUP 1.00
  8 THR  HA     11 PHE  QE      3.86            #peak 383 #SUP 0.91 #QF 0.91
  8 THR  HA     11 PHE  QD      4.62            #peak 384 #SUP 0.93 #QF 0.93
  3 CYSS HA      4 TYR  QD      3.80            #peak 385 #SUP 0.90 #QF 0.90
  4 TYR  QD     14 CYSS HA      4.36            #peak 386 #SUP 0.95 #QF 0.95
 12 PHE  QD     13 THR  HA      4.48            #peak 388 #SUP 0.42 #QF 0.42
  4 TYR  QD      6 THR  HB      5.07            #peak 389 #SUP 1.00
  4 TYR  QD     13 THR  HB      3.86            #peak 390 #SUP 0.93 #QF 0.93
  4 TYR  QE      6 THR  HB      5.03            #peak 391 #SUP 1.00
  2 ASP  H      15 THR  H       3.90            #peak 394 #SUP 0.87 #QF 0.87
  1 GLY  H       2 ASP  H       2.88            #peak 398 #SUP 0.97 #QF 0.97
  1 GLY  H      17 ASP  H       3.00            #peak 399 #SUP 0.95 #QF 0.95
  7 SER  H       8 THR  H       3.13            #peak 401 #SUP 0.97 #QF 0.97
  4 TYR  H      13 THR  H       3.28            #peak 402 #SUP 0.41 #QF 0.41
  4 TYR  H       4 TYR  QD      3.34            #peak 404 #SUP 0.99 #QF 0.99
  4 TYR  QD      5 TRP  H       4.33            #peak 407 #SUP 0.98 #QF 0.98
  4 TYR  QD     13 THR  H       4.69            #peak 407 #SUP 0.98 #QF 0.98
  5 TRP  HA     12 PHE  HA      3.11            #peak 414 #SUP 0.98 #QF 0.98
  5 TRP  HA     12 PHE  HB2     4.56            #peak 417 #SUP 0.92 #QF 0.92
  6 THR  QG2    12 PHE  HA      4.01            #peak 420 #SUP 0.98 #QF 0.98
  5 TRP  HA      6 THR  QG2     4.18            #peak 421 #SUP 0.97 #QF 0.97
  5 TRP  HA      5 TRP  HB2     2.87            #peak 422 #SUP 0.98 #QF 0.98
 14 CYSS HA     15 THR  QG2     4.33            #peak 428 #SUP 0.99 #QF 0.99
  3 CYSS HA     14 CYSS HA      2.40            #peak 429 #SUP 0.89 #QF 0.89
 11 PHE  H      11 PHE  QD      3.42            #peak 435 #SUP 1.00
  5 TRP  H       5 TRP  HD1     4.53            #peak 436 #SUP 0.98 #QF 0.98
  4 TYR  H      14 CYSS HA      3.52            #peak 439 #SUP 0.37 #QF 0.37
 10 PRO  HB2    13 THR  H       5.50            #peak 455 #SUP 1.00 #QF 0.57
  5 TRP  HE3    12 PHE  HB2     5.50            #peak 456 #SUP 0.69 #QF 0.69
  5 TRP  HE3    12 PHE  HB3     5.50            #peak 457 #SUP 0.84 #QF 0.84
 11 PHE  H      12 PHE  H       3.88            #peak 461 #SUP 0.96 #QF 0.96
  8 THR  HA      9 PRO  HD2     3.15            #peak 199 #SUP 1.00
  8 THR  HA      9 PRO  HD3     3.52            #peak 200 #SUP 1.00
  9 PRO  HA     11 PHE  HB2     5.50            #peak 208 #SUP 1.00
  9 PRO  HA     10 PRO  HB3     5.50            #peak 272 #SUP 1.00
  9 PRO  HA     10 PRO  HA      3.44            #peak 282 #SUP 1.00
 15 THR  HA     15 THR  QG2     3.59            #peak 307 #SUP 1.00
 15 THR  HB     16 PRO  HG3     5.50            #peak 309 #SUP 1.00
  8 THR  HA      9 PRO  HG3     5.50            #peak 310 #SUP 0.89 #QF 0.40
 15 THR  HB     16 PRO  HG2     5.50            #peak 311 #SUP 1.00
  6 THR  HA      6 THR  QG2     3.70            #peak 339 #SUP 1.00
  8 THR  HA      8 THR  QG2     3.65            #peak 346 #SUP 1.00
 15 THR  HA     16 PRO  HD2     3.41            #peak 357 #SUP 1.00
 15 THR  HA     16 PRO  HD3     3.41            #peak 358 #SUP 1.00
  8 THR  QG2     9 PRO  HD2     4.85            #peak 447 #SUP 1.00
  8 THR  QG2     9 PRO  HD3     4.13            #peak 448 #SUP 0.74 #QF 0.74
  6 THR  QG2    13 THR  HB      4.16            #peak 449 #SUP 0.88 #QF 0.88
  6 THR  QG2    11 PHE  HA      4.92            #peak 450 #SUP 0.79 #QF 0.79
 13 THR  QG2    14 CYSS QB      4.59            #peak 454 #SUP 0.48 #QF 0.48
 13 THR  QG2    15 THR  QG2     5.50            #peak 456 #SUP 0.99 #QF 0.99
 15 THR  QG2    16 PRO  HD2     5.02            #peak 457 #SUP 0.94 #QF 0.94
 15 THR  QG2    16 PRO  HD3     5.02            #peak 458 #SUP 0.91 #QF 0.91
  6 THR  QG2    13 THR  QG2     4.54            #peak 461 #SUP 0.99 #QF 0.99
 15 THR  HB     16 PRO  HD2     3.69            #peak 477 #SUP 0.47 #QF 0.47
 15 THR  HB     16 PRO  HD3     3.69            #peak 478 #SUP 0.63 #QF 0.63
 14 CYSS QB     15 THR  QG2     5.34            #peak 479 #SUP 0.75 #QF 0.41
  1 GLY  QA      2 ASP  H       3.00            #peak 161
  2 ASP  H       2 ASP  QB      3.51            #peak 330
  2 ASP  QB      3 CYSS H       3.53            #peak 331
  3 CYSS H       3 CYSS QB      3.35            #peak 150
  3 CYSS HA      3 CYSS QB      2.56            #peak 426
  3 CYSS QB      4 TYR  H       2.79            #peak 152
  3 CYSS QB     14 CYSS HA      3.88            #peak 427
  3 CYSS QB     15 THR  QG2     5.34            #peak 480
  4 TYR  H       4 TYR  QB      3.69            #peak 141
  4 TYR  QB      5 TRP  H       3.24            #peak 143
  4 TYR  QB      6 THR  QG2     5.29            #peak 455
  4 TYR  QB     15 THR  QG2     4.94            #peak 479
 15 THR  HA     16 PRO  QD      2.76            #peak 357
 15 THR  HB     16 PRO  QD      3.09            #peak 478
 15 THR  QG2    16 PRO  QD      4.22            #peak 458
 16 PRO  QB     17 ASP  H       3.67            #peak 193
 16 PRO  QB     17 ASP  HA      5.34            #peak 310
 16 PRO  QG     17 ASP  HA      5.35            #peak 311
 16 PRO  QD     17 ASP  H       3.77            #peak 191
   3   CYSS  CHI1    -90.0   -30.0
   5   TRP   CHI1   -210.0  -150.0
   7   SER   CHI1   -210.0  -150.0
   12  PHE   CHI1   -210.0  -150.0
   3   CYSS  PHI    -182.5   -63.0
   3   CYSS  PSI     117.8   176.6
   4   TYR  PHI    -166.8   -78.5
   4   TYR  PSI     103.0   178.6
   5   TRP  PHI    -126.1   -73.0
   5   TRP  PSI     108.9   148.9
   6   THR  PHI    -153.2   -79.1
   6   THR  PSI     111.7   159.7
   8   THR  PHI    -164.0   -65.6
   8   THR  PSI      45.1   177.9
 #  9   PRO  PHI     -87.7   -47.7
   9   PRO  PSI      91.8   180.8
#  10   PRO  PHI     -91.8   -41.6
#  10   PRO  PSI     -53.3    15.8
  11   PHE  PHI    -145.7   -51.4
 # 11   PHE  PSI      63.1   170.5
  12   PHE  PHI    -172.3   -55.9
  12   PHE  PSI     113.9   183.3
  13   THR  PHI    -160.8   -90.0
  13   THR  PSI      99.7   179.4
  14   CYSS  PHI    -145.4  -102.5
  14   CYSS  PSI     118.1   171.0
  15   THR  PHI    -132.5   -34.4
  15   THR  PSI      78.9   192.9
 # 16   PRO  PHI     -77.4   -37.4
  16   PRO  PSI     -48.2    -8.2
  3 CYSS CHI1 -90 -30
  5 TRP CHI1 -210 -150
  7 SER CHI1 -210 -150
 12 PHE CHI1 -210 -150
 14 CYSS CHI1 -90 -30
 8 THR CHI1 60 90
 6 THR CHI1 60 90
15 THR CHI1 60 90


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -10.843  -2.034  -2.218
    2    HA2  GLY   1           HA2      GLY   1 -11.407  -2.111   0.476
    3    HA3  GLY   1           HA1      GLY   1 -12.469  -3.312  -0.245
    4    H    ASP   2           H        ASP   2  -9.100  -2.365  -0.909
    5    HA   ASP   2           HA       ASP   2  -8.097  -4.875   0.093
    6    HB2  ASP   2           HB2      ASP   2  -7.051  -5.495  -2.114
    7    HB3  ASP   2           HB1      ASP   2  -8.801  -5.687  -2.044
    8    H    CYS   3           H        CYS   3  -5.772  -4.972   0.112
    9    HA   CYS   3           HA       CYS   3  -4.465  -2.376  -0.361
   10    HB2  CYS   3           HB2      CYS   3  -3.836  -4.179   1.977
   11    HB3  CYS   3           HB1      CYS   3  -3.267  -2.535   1.701
   12    H    TYR   4           H        TYR   4  -1.994  -2.650  -0.243
   13    HA   TYR   4           HA       TYR   4  -1.065  -5.243  -1.184
   14    HB2  TYR   4           HB2      TYR   4   0.085  -4.109  -3.146
   15    HB3  TYR   4           HB1      TYR   4  -1.658  -4.309  -3.282
   16    HD1  TYR   4           HD1      TYR   4  -3.153  -2.345  -2.956
   17    HD2  TYR   4           HD2      TYR   4   1.080  -1.946  -3.118
   18    HE1  TYR   4           HE1      TYR   4  -3.402   0.066  -3.375
   19    HE2  TYR   4           HE2      TYR   4   0.843   0.466  -3.537
   20    HH   TYR   4           HH       TYR   4  -2.192   1.912  -4.280
   21    H    TRP   5           H        TRP   5   1.237  -5.457  -1.166
   22    HA   TRP   5           HA       TRP   5   2.472  -3.780   0.858
   23    HB2  TRP   5           HB2      TRP   5   2.891  -6.049   1.256
   24    HB3  TRP   5           HB1      TRP   5   3.191  -6.390  -0.446
   25    HD1  TRP   5           HD       TRP   5   5.658  -6.610  -1.092
   26    HE1  TRP   5           HE1      TRP   5   7.906  -5.938  -0.036
   27    HE3  TRP   5           HE3      TRP   5   3.912  -3.999   2.942
   28    HZ2  TRP   5           HZ2      TRP   5   8.820  -4.492   2.211
   29    HZ3  TRP   5           HZ3      TRP   5   5.539  -3.004   4.496
   30    HH2  TRP   5           HH       TRP   5   7.941  -3.246   4.137
   31    H    THR   6           H        THR   6   4.339  -2.576   0.586
   32    HA   THR   6           HA       THR   6   5.481  -2.356  -2.093
   33    HB   THR   6           HB       THR   6   5.347   0.104  -2.072
   34    HG1  THR   6           HG1      THR   6   4.837   1.017  -0.241
   35   HG21  THR   6          HG21      THR   6   3.488  -1.542  -2.972
   36   HG22  THR   6          HG22      THR   6   3.241   0.204  -2.983
   37   HG23  THR   6          HG23      THR   6   2.525  -0.780  -1.708
   38    H    SER   7           H        SER   7   7.548  -1.329  -2.145
   39    HA   SER   7           HA       SER   7   9.091  -1.825   0.223
   40    HB2  SER   7           HB2      SER   7   9.752  -2.085  -2.311
   41    HB3  SER   7           HB1      SER   7  10.210  -0.390  -2.156
   42    HG   SER   7           HG       SER   7  12.006  -1.475  -1.585
   43    H    THR   8           H        THR   8   8.780   1.089  -1.815
   44    HA   THR   8           HA       THR   8   9.871   2.817   0.152
   45    HB   THR   8           HB       THR   8   9.092   4.657  -1.290
   46    HG1  THR   8           HG1      THR   8   7.646   4.326  -2.840
   47   HG21  THR   8          HG21      THR   8  10.581   2.329  -2.398
   48   HG22  THR   8          HG22      THR   8  11.136   3.969  -2.063
   49   HG23  THR   8          HG23      THR   8  10.154   3.644  -3.492
   50    HA   PRO   9           HA       PRO   9   6.429   3.725   2.724
   51    HB2  PRO   9           HB2      PRO   9   6.937   6.313   3.366
   52    HB3  PRO   9           HB1      PRO   9   7.875   4.962   4.011
   53    HG2  PRO   9           HG2      PRO   9   8.524   6.807   1.744
   54    HG3  PRO   9           HG1      PRO   9   9.579   6.211   3.039
   55    HD2  PRO   9           HD2      PRO   9   9.593   5.155   0.545
   56    HD3  PRO   9           HD1      PRO   9   9.926   4.186   1.994
   57    HA   PRO  10           HA       PRO  10   4.714   4.336   3.767
   58    HB2  PRO  10           HB2      PRO  10   2.215   3.369   3.333
   59    HB3  PRO  10           HB1      PRO  10   2.525   5.029   3.854
   60    HG2  PRO  10           HG2      PRO  10   1.947   3.981   1.110
   61    HG3  PRO  10           HG1      PRO  10   1.317   5.433   1.909
   62    HD2  PRO  10           HD2      PRO  10   3.328   5.523   0.098
   63    HD3  PRO  10           HD1      PRO  10   3.216   6.658   1.458
   64    H    PHE  11           H        PHE  11   5.178   2.273   4.316
   65    HA   PHE  11           HA       PHE  11   5.995   0.423   2.371
   66    HB2  PHE  11           HB2      PHE  11   5.254  -0.270   5.214
   67    HB3  PHE  11           HB1      PHE  11   6.422  -1.079   4.176
   68    HD1  PHE  11           HD2      PHE  11   7.938   1.187   3.096
   69    HD2  PHE  11           HD1      PHE  11   6.476   0.477   7.030
   70    HE1  PHE  11           HE2      PHE  11   9.731   2.599   4.014
   71    HE2  PHE  11           HE1      PHE  11   8.266   1.890   7.954
   72    HZ   PHE  11           HZ       PHE  11   9.898   2.952   6.446
   73    H    PHE  12           H        PHE  12   2.924   0.995   3.862
   74    HA   PHE  12           HA       PHE  12   1.791  -1.216   2.296
   75    HB2  PHE  12           HB2      PHE  12   2.013  -1.655   4.843
   76    HB3  PHE  12           HB1      PHE  12   0.682  -0.512   4.998
   77    HD1  PHE  12           HD1      PHE  12   1.644  -3.633   3.217
   78    HD2  PHE  12           HD2      PHE  12  -1.497  -1.264   4.839
   79    HE1  PHE  12           HE1      PHE  12   0.044  -5.444   2.754
   80    HE2  PHE  12           HE2      PHE  12  -3.103  -3.071   4.379
   81    HZ   PHE  12           HZ       PHE  12  -2.332  -5.165   3.337
   82    H    THR  13           H        THR  13   0.159  -0.613   1.031
   83    HA   THR  13           HA       THR  13  -1.256   1.893   1.670
   84    HB   THR  13           HB       THR  13  -0.454   0.907  -1.074
   85    HG1  THR  13           HG1      THR  13   1.269   2.041  -0.612
   86   HG21  THR  13          HG21      THR  13  -2.350   3.000  -0.150
   87   HG22  THR  13          HG22      THR  13  -2.400   1.984  -1.591
   88   HG23  THR  13          HG23      THR  13  -1.325   3.380  -1.533
   89    H    CYS  14           H        CYS  14  -3.453   1.965   1.277
   90    HA   CYS  14           HA       CYS  14  -4.701  -0.590   0.499
   91    HB2  CYS  14           HB2      CYS  14  -5.493   1.379   2.642
   92    HB3  CYS  14           HB1      CYS  14  -6.616   0.179   2.009
   93    H    THR  15           H        THR  15  -7.021  -0.283  -0.229
   94    HA   THR  15           HA       THR  15  -7.277   2.196  -1.802
   95    HB   THR  15           HB       THR  15  -8.363   0.891  -3.587
   96    HG1  THR  15           HG1      THR  15  -8.987  -1.066  -3.110
   97   HG21  THR  15          HG21      THR  15  -5.865   1.333  -3.519
   98   HG22  THR  15          HG22      THR  15  -6.389  -0.001  -4.547
   99   HG23  THR  15          HG23      THR  15  -5.682  -0.332  -2.966
  100    HA   PRO  16           HA       PRO  16 -11.289   2.688  -0.084
  101    HB2  PRO  16           HB2      PRO  16 -12.577   3.921  -2.130
  102    HB3  PRO  16           HB1      PRO  16 -11.356   4.728  -1.139
  103    HG2  PRO  16           HG2      PRO  16 -11.077   3.483  -3.848
  104    HG3  PRO  16           HG1      PRO  16 -10.421   5.017  -3.248
  105    HD2  PRO  16           HD2      PRO  16  -8.927   2.767  -3.432
  106    HD3  PRO  16           HD1      PRO  16  -8.660   3.990  -2.173
  107    H    ASP  17           H        ASP  17 -10.818   0.863  -2.973
  108    HA   ASP  17           HA       ASP  17 -13.502   0.034  -3.391
  109    HB2  ASP  17           HB2      ASP  17 -10.829  -1.010  -4.293
  110    HB3  ASP  17           HB1      ASP  17 -12.313  -1.891  -4.647
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -10.791  -2.032  -2.225
    2    HA2  GLY   1           HA2      GLY   1 -11.477  -2.151   0.429
    3    HA3  GLY   1           HA1      GLY   1 -12.500  -3.352  -0.343
    4    H    ASP   2           H        ASP   2  -9.122  -2.395  -0.916
    5    HA   ASP   2           HA       ASP   2  -8.117  -4.868   0.160
    6    HB2  ASP   2           HB2      ASP   2  -8.302  -4.420  -2.802
    7    HB3  ASP   2           HB1      ASP   2  -6.980  -5.373  -2.133
    8    H    CYS   3           H        CYS   3  -5.778  -4.964   0.154
    9    HA   CYS   3           HA       CYS   3  -4.499  -2.361  -0.346
   10    HB2  CYS   3           HB2      CYS   3  -3.826  -4.151   1.989
   11    HB3  CYS   3           HB1      CYS   3  -3.280  -2.502   1.704
   12    H    TYR   4           H        TYR   4  -2.024  -2.609  -0.254
   13    HA   TYR   4           HA       TYR   4  -1.090  -5.196  -1.219
   14    HB2  TYR   4           HB2      TYR   4   0.057  -4.035  -3.165
   15    HB3  TYR   4           HB1      TYR   4  -1.688  -4.228  -3.301
   16    HD1  TYR   4           HD1      TYR   4  -3.175  -2.264  -2.941
   17    HD2  TYR   4           HD2      TYR   4   1.058  -1.877  -3.108
   18    HE1  TYR   4           HE1      TYR   4  -3.418   0.154  -3.322
   19    HE2  TYR   4           HE2      TYR   4   0.829   0.542  -3.488
   20    HH   TYR   4           HH       TYR   4  -2.269   2.019  -4.096
   21    H    TRP   5           H        TRP   5   1.207  -5.417  -1.195
   22    HA   TRP   5           HA       TRP   5   2.446  -3.753   0.839
   23    HB2  TRP   5           HB2      TRP   5   2.844  -6.025   1.241
   24    HB3  TRP   5           HB1      TRP   5   3.150  -6.369  -0.459
   25    HD1  TRP   5           HD       TRP   5   5.617  -6.609  -1.094
   26    HE1  TRP   5           HE1      TRP   5   7.867  -5.954  -0.031
   27    HE3  TRP   5           HE3      TRP   5   3.875  -3.981   2.929
   28    HZ2  TRP   5           HZ2      TRP   5   8.781  -4.513   2.218
   29    HZ3  TRP   5           HZ3      TRP   5   5.504  -2.997   4.489
   30    HH2  TRP   5           HH       TRP   5   7.905  -3.258   4.139
   31    H    THR   6           H        THR   6   4.325  -2.566   0.573
   32    HA   THR   6           HA       THR   6   5.478  -2.357  -2.102
   33    HB   THR   6           HB       THR   6   5.362   0.103  -2.087
   34    HG1  THR   6           HG1      THR   6   4.846   1.028  -0.264
   35   HG21  THR   6          HG21      THR   6   2.527  -0.734  -1.733
   36   HG22  THR   6          HG22      THR   6   3.486  -1.545  -2.973
   37   HG23  THR   6          HG23      THR   6   3.274   0.205  -3.024
   38    H    SER   7           H        SER   7   7.551  -1.341  -2.148
   39    HA   SER   7           HA       SER   7   9.082  -1.846   0.226
   40    HB2  SER   7           HB2      SER   7   9.849  -2.240  -2.177
   41    HB3  SER   7           HB1      SER   7  10.083  -0.495  -2.281
   42    HG   SER   7           HG       SER   7  11.945  -1.861  -1.614
   43    H    THR   8           H        THR   8   8.800   1.067  -1.816
   44    HA   THR   8           HA       THR   8   9.896   2.791   0.151
   45    HB   THR   8           HB       THR   8   9.131   4.634  -1.295
   46    HG1  THR   8           HG1      THR   8   7.790   2.521  -2.645
   47   HG21  THR   8          HG21      THR   8  10.146   2.620  -3.232
   48   HG22  THR   8          HG22      THR   8  11.127   2.958  -1.806
   49   HG23  THR   8          HG23      THR   8  10.702   4.262  -2.914
   50    HA   PRO   9           HA       PRO   9   6.453   3.725   2.714
   51    HB2  PRO   9           HB2      PRO   9   6.977   6.311   3.355
   52    HB3  PRO   9           HB1      PRO   9   7.905   4.953   4.003
   53    HG2  PRO   9           HG2      PRO   9   8.570   6.791   1.736
   54    HG3  PRO   9           HG1      PRO   9   9.619   6.189   3.033
   55    HD2  PRO   9           HD2      PRO   9   9.631   5.131   0.540
   56    HD3  PRO   9           HD1      PRO   9   9.955   4.161   1.992
   57    HA   PRO  10           HA       PRO  10   4.739   4.342   3.750
   58    HB2  PRO  10           HB2      PRO  10   2.236   3.389   3.308
   59    HB3  PRO  10           HB1      PRO  10   2.554   5.047   3.831
   60    HG2  PRO  10           HG2      PRO  10   1.979   4.004   1.085
   61    HG3  PRO  10           HG1      PRO  10   1.354   5.459   1.881
   62    HD2  PRO  10           HD2      PRO  10   3.370   5.539   0.077
   63    HD3  PRO  10           HD1      PRO  10   3.261   6.674   1.437
   64    H    PHE  11           H        PHE  11   5.190   2.277   4.300
   65    HA   PHE  11           HA       PHE  11   6.001   0.423   2.357
   66    HB2  PHE  11           HB2      PHE  11   5.250  -0.267   5.198
   67    HB3  PHE  11           HB1      PHE  11   6.417  -1.082   4.163
   68    HD1  PHE  11           HD2      PHE  11   7.949   1.175   3.089
   69    HD2  PHE  11           HD1      PHE  11   6.467   0.477   7.018
   70    HE1  PHE  11           HE2      PHE  11   9.746   2.578   4.012
   71    HE2  PHE  11           HE1      PHE  11   8.262   1.880   7.948
   72    HZ   PHE  11           HZ       PHE  11   9.906   2.932   6.444
   73    H    PHE  12           H        PHE  12   2.940   0.965   3.911
   74    HA   PHE  12           HA       PHE  12   1.792  -1.216   2.310
   75    HB2  PHE  12           HB2      PHE  12   2.027  -1.704   4.837
   76    HB3  PHE  12           HB1      PHE  12   0.724  -0.536   5.038
   77    HD1  PHE  12           HD1      PHE  12   1.573  -3.612   3.116
   78    HD2  PHE  12           HD2      PHE  12  -1.457  -1.270   4.974
   79    HE1  PHE  12           HE1      PHE  12  -0.074  -5.380   2.651
   80    HE2  PHE  12           HE2      PHE  12  -3.109  -3.035   4.512
   81    HZ   PHE  12           HZ       PHE  12  -2.418  -5.093   3.349
   82    H    THR  13           H        THR  13   0.165  -0.588   1.053
   83    HA   THR  13           HA       THR  13  -1.258   1.901   1.738
   84    HB   THR  13           HB       THR  13  -0.449   0.973  -1.025
   85    HG1  THR  13           HG1      THR  13   0.903   2.770  -0.967
   86   HG21  THR  13          HG21      THR  13  -2.180   3.244  -0.079
   87   HG22  THR  13          HG22      THR  13  -2.538   2.021  -1.299
   88   HG23  THR  13          HG23      THR  13  -1.356   3.286  -1.637
   89    H    CYS  14           H        CYS  14  -3.454   1.974   1.341
   90    HA   CYS  14           HA       CYS  14  -4.692  -0.576   0.529
   91    HB2  CYS  14           HB2      CYS  14  -5.509   1.387   2.669
   92    HB3  CYS  14           HB1      CYS  14  -6.621   0.185   2.023
   93    H    THR  15           H        THR  15  -7.057  -0.222  -0.145
   94    HA   THR  15           HA       THR  15  -7.304   2.258  -1.712
   95    HB   THR  15           HB       THR  15  -8.323   0.975  -3.553
   96    HG1  THR  15           HG1      THR  15  -7.902  -1.124  -1.751
   97   HG21  THR  15          HG21      THR  15  -5.725   1.370  -3.159
   98   HG22  THR  15          HG22      THR  15  -6.327   0.456  -4.543
   99   HG23  THR  15          HG23      THR  15  -5.718  -0.393  -3.122
  100    HA   PRO  16           HA       PRO  16 -11.361   2.609  -0.065
  101    HB2  PRO  16           HB2      PRO  16 -12.636   3.866  -2.106
  102    HB3  PRO  16           HB1      PRO  16 -11.455   4.674  -1.069
  103    HG2  PRO  16           HG2      PRO  16 -11.092   3.508  -3.802
  104    HG3  PRO  16           HG1      PRO  16 -10.486   5.041  -3.150
  105    HD2  PRO  16           HD2      PRO  16  -8.933   2.833  -3.360
  106    HD3  PRO  16           HD1      PRO  16  -8.722   4.028  -2.065
  107    H    ASP  17           H        ASP  17 -10.784   0.869  -2.986
  108    HA   ASP  17           HA       ASP  17 -13.429  -0.003  -3.511
  109    HB2  ASP  17           HB2      ASP  17 -10.701  -0.953  -4.323
  110    HB3  ASP  17           HB1      ASP  17 -12.120  -1.927  -4.698
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -10.856  -2.055  -2.213
    2    HA2  GLY   1           HA2      GLY   1 -11.397  -2.097   0.499
    3    HA3  GLY   1           HA1      GLY   1 -12.461  -3.301  -0.214
    4    H    ASP   2           H        ASP   2  -9.105  -2.369  -0.943
    5    HA   ASP   2           HA       ASP   2  -8.097  -4.878   0.075
    6    HB2  ASP   2           HB2      ASP   2  -8.310  -4.316  -2.865
    7    HB3  ASP   2           HB1      ASP   2  -6.984  -5.297  -2.246
    8    H    CYS   3           H        CYS   3  -5.775  -4.975   0.102
    9    HA   CYS   3           HA       CYS   3  -4.465  -2.381  -0.365
   10    HB2  CYS   3           HB2      CYS   3  -3.841  -4.187   1.972
   11    HB3  CYS   3           HB1      CYS   3  -3.272  -2.543   1.699
   12    H    TYR   4           H        TYR   4  -1.993  -2.657  -0.243
   13    HA   TYR   4           HA       TYR   4  -1.065  -5.251  -1.182
   14    HB2  TYR   4           HB2      TYR   4   0.086  -4.120  -3.146
   15    HB3  TYR   4           HB1      TYR   4  -1.657  -4.319  -3.283
   16    HD1  TYR   4           HD1      TYR   4  -3.151  -2.355  -2.960
   17    HD2  TYR   4           HD2      TYR   4   1.082  -1.958  -3.122
   18    HE1  TYR   4           HE1      TYR   4  -3.400   0.056  -3.383
   19    HE2  TYR   4           HE2      TYR   4   0.846   0.454  -3.544
   20    HH   TYR   4           HH       TYR   4  -0.876   1.999  -4.472
   21    H    TRP   5           H        TRP   5   1.238  -5.464  -1.165
   22    HA   TRP   5           HA       TRP   5   2.471  -3.784   0.858
   23    HB2  TRP   5           HB2      TRP   5   2.893  -6.052   1.256
   24    HB3  TRP   5           HB1      TRP   5   3.194  -6.393  -0.446
   25    HD1  TRP   5           HD       TRP   5   5.661  -6.610  -1.093
   26    HE1  TRP   5           HE1      TRP   5   7.910  -5.934  -0.038
   27    HE3  TRP   5           HE3      TRP   5   3.913  -4.002   2.942
   28    HZ2  TRP   5           HZ2      TRP   5   8.821  -4.488   2.208
   29    HZ3  TRP   5           HZ3      TRP   5   5.539  -3.004   4.496
   30    HH2  TRP   5           HH       TRP   5   7.941  -3.244   4.136
   31    H    THR   6           H        THR   6   4.336  -2.576   0.586
   32    HA   THR   6           HA       THR   6   5.477  -2.354  -2.094
   33    HB   THR   6           HB       THR   6   5.340   0.105  -2.071
   34    HG1  THR   6           HG1      THR   6   4.216   1.160  -0.490
   35   HG21  THR   6          HG21      THR   6   3.236   0.201  -2.983
   36   HG22  THR   6          HG22      THR   6   2.518  -0.778  -1.704
   37   HG23  THR   6          HG23      THR   6   3.482  -1.544  -2.965
   38    H    SER   7           H        SER   7   7.541  -1.321  -2.145
   39    HA   SER   7           HA       SER   7   9.088  -1.820   0.220
   40    HB2  SER   7           HB2      SER   7  10.285  -2.356  -1.697
   41    HB3  SER   7           HB1      SER   7   9.701  -0.946  -2.581
   42    HG   SER   7           HG       SER   7  11.737  -1.119  -0.647
   43    H    THR   8           H        THR   8   8.772   1.096  -1.815
   44    HA   THR   8           HA       THR   8   9.864   2.822   0.152
   45    HB   THR   8           HB       THR   8   9.082   4.664  -1.287
   46    HG1  THR   8           HG1      THR   8   7.262   4.166  -2.288
   47   HG21  THR   8          HG21      THR   8  10.601   4.286  -2.982
   48   HG22  THR   8          HG22      THR   8  10.130   2.596  -3.173
   49   HG23  THR   8          HG23      THR   8  11.114   3.088  -1.794
   50    HA   PRO   9           HA       PRO   9   6.421   3.727   2.726
   51    HB2  PRO   9           HB2      PRO   9   6.926   6.316   3.370
   52    HB3  PRO   9           HB1      PRO   9   7.866   4.964   4.014
   53    HG2  PRO   9           HG2      PRO   9   8.512   6.811   1.748
   54    HG3  PRO   9           HG1      PRO   9   9.568   6.215   3.042
   55    HD2  PRO   9           HD2      PRO   9   9.582   5.161   0.548
   56    HD3  PRO   9           HD1      PRO   9   9.917   4.191   1.996
   57    HA   PRO  10           HA       PRO  10   4.706   4.335   3.770
   58    HB2  PRO  10           HB2      PRO  10   2.208   3.365   3.336
   59    HB3  PRO  10           HB1      PRO  10   2.516   5.026   3.859
   60    HG2  PRO  10           HG2      PRO  10   1.938   3.979   1.114
   61    HG3  PRO  10           HG1      PRO  10   1.307   5.430   1.914
   62    HD2  PRO  10           HD2      PRO  10   3.317   5.524   0.102
   63    HD3  PRO  10           HD1      PRO  10   3.205   6.658   1.463
   64    H    PHE  11           H        PHE  11   5.173   2.272   4.318
   65    HA   PHE  11           HA       PHE  11   5.989   0.424   2.371
   66    HB2  PHE  11           HB2      PHE  11   5.250  -0.270   5.214
   67    HB3  PHE  11           HB1      PHE  11   6.419  -1.079   4.175
   68    HD1  PHE  11           HD2      PHE  11   7.931   1.189   3.097
   69    HD2  PHE  11           HD1      PHE  11   6.472   0.476   7.031
   70    HE1  PHE  11           HE2      PHE  11   9.724   2.603   4.015
   71    HE2  PHE  11           HE1      PHE  11   8.262   1.889   7.955
   72    HZ   PHE  11           HZ       PHE  11   9.891   2.954   6.447
   73    H    PHE  12           H        PHE  12   2.919   0.993   3.865
   74    HA   PHE  12           HA       PHE  12   1.788  -1.221   2.298
   75    HB2  PHE  12           HB2      PHE  12   2.006  -1.659   4.845
   76    HB3  PHE  12           HB1      PHE  12   0.679  -0.513   5.001
   77    HD1  PHE  12           HD1      PHE  12   1.642  -3.662   3.280
   78    HD2  PHE  12           HD2      PHE  12  -1.513  -1.233   4.786
   79    HE1  PHE  12           HE1      PHE  12   0.037  -5.468   2.820
   80    HE2  PHE  12           HE2      PHE  12  -3.123  -3.037   4.330
   81    HZ   PHE  12           HZ       PHE  12  -2.350  -5.157   3.345
   82    H    THR  13           H        THR  13   0.163  -0.616   1.027
   83    HA   THR  13           HA       THR  13  -1.254   1.890   1.661
   84    HB   THR  13           HB       THR  13  -0.454   0.894  -1.080
   85    HG1  THR  13           HG1      THR  13   1.291   1.968  -0.501
   86   HG21  THR  13          HG21      THR  13  -1.351   3.202  -1.738
   87   HG22  THR  13          HG22      THR  13  -2.184   3.183  -0.184
   88   HG23  THR  13          HG23      THR  13  -2.532   1.943  -1.388
   89    H    CYS  14           H        CYS  14  -3.451   1.962   1.267
   90    HA   CYS  14           HA       CYS  14  -4.702  -0.591   0.490
   91    HB2  CYS  14           HB2      CYS  14  -5.489   1.369   2.642
   92    HB3  CYS  14           HB1      CYS  14  -6.610   0.167   2.010
   93    H    THR  15           H        THR  15  -6.993  -0.310  -0.273
   94    HA   THR  15           HA       THR  15  -7.259   2.181  -1.829
   95    HB   THR  15           HB       THR  15  -8.363   0.876  -3.605
   96    HG1  THR  15           HG1      THR  15  -7.898  -1.520  -3.373
   97   HG21  THR  15          HG21      THR  15  -6.393  -0.083  -4.553
   98   HG22  THR  15          HG22      THR  15  -5.669  -0.316  -2.961
   99   HG23  THR  15          HG23      THR  15  -5.887   1.312  -3.601
  100    HA   PRO  16           HA       PRO  16 -11.260   2.704  -0.092
  101    HB2  PRO  16           HB2      PRO  16 -12.550   3.939  -2.137
  102    HB3  PRO  16           HB1      PRO  16 -11.318   4.740  -1.153
  103    HG2  PRO  16           HG2      PRO  16 -11.061   3.484  -3.859
  104    HG3  PRO  16           HG1      PRO  16 -10.394   5.018  -3.269
  105    HD2  PRO  16           HD2      PRO  16  -8.913   2.757  -3.452
  106    HD3  PRO  16           HD1      PRO  16  -8.633   3.982  -2.199
  107    H    ASP  17           H        ASP  17 -10.804   0.849  -2.959
  108    HA   ASP  17           HA       ASP  17 -13.500   0.040  -3.363
  109    HB2  ASP  17           HB2      ASP  17 -10.944  -1.356  -4.185
  110    HB3  ASP  17           HB1      ASP  17 -12.552  -1.687  -4.821
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -10.865  -2.054  -2.212
    2    HA2  GLY   1           HA2      GLY   1 -11.384  -2.098   0.505
    3    HA3  GLY   1           HA1      GLY   1 -12.453  -3.299  -0.204
    4    H    ASP   2           H        ASP   2  -9.100  -2.366  -0.946
    5    HA   ASP   2           HA       ASP   2  -8.092  -4.881   0.054
    6    HB2  ASP   2           HB2      ASP   2  -8.311  -4.296  -2.881
    7    HB3  ASP   2           HB1      ASP   2  -6.984  -5.284  -2.274
    8    H    CYS   3           H        CYS   3  -5.775  -4.977   0.091
    9    HA   CYS   3           HA       CYS   3  -4.459  -2.384  -0.373
   10    HB2  CYS   3           HB2      CYS   3  -3.844  -4.191   1.967
   11    HB3  CYS   3           HB1      CYS   3  -3.272  -2.548   1.696
   12    H    TYR   4           H        TYR   4  -1.988  -2.665  -0.244
   13    HA   TYR   4           HA       TYR   4  -1.058  -5.261  -1.174
   14    HB2  TYR   4           HB2      TYR   4   0.094  -4.136  -3.141
   15    HB3  TYR   4           HB1      TYR   4  -1.649  -4.337  -3.279
   16    HD1  TYR   4           HD1      TYR   4  -3.143  -2.371  -2.965
   17    HD2  TYR   4           HD2      TYR   4   1.090  -1.974  -3.120
   18    HE1  TYR   4           HE1      TYR   4  -3.390   0.038  -3.398
   19    HE2  TYR   4           HE2      TYR   4   0.856   0.435  -3.552
   20    HH   TYR   4           HH       TYR   4  -2.315   1.915  -4.026
   21    H    TRP   5           H        TRP   5   1.246  -5.471  -1.158
   22    HA   TRP   5           HA       TRP   5   2.476  -3.789   0.864
   23    HB2  TRP   5           HB2      TRP   5   2.901  -6.056   1.265
   24    HB3  TRP   5           HB1      TRP   5   3.202  -6.397  -0.436
   25    HD1  TRP   5           HD       TRP   5   5.669  -6.611  -1.083
   26    HE1  TRP   5           HE1      TRP   5   7.916  -5.933  -0.027
   27    HE3  TRP   5           HE3      TRP   5   3.917  -4.002   2.949
   28    HZ2  TRP   5           HZ2      TRP   5   8.825  -4.482   2.217
   29    HZ3  TRP   5           HZ3      TRP   5   5.541  -3.001   4.502
   30    HH2  TRP   5           HH       TRP   5   7.944  -3.238   4.143
   31    H    THR   6           H        THR   6   4.339  -2.578   0.592
   32    HA   THR   6           HA       THR   6   5.481  -2.357  -2.087
   33    HB   THR   6           HB       THR   6   5.341   0.102  -2.067
   34    HG1  THR   6           HG1      THR   6   3.623   0.876  -0.487
   35   HG21  THR   6          HG21      THR   6   3.237   0.196  -2.980
   36   HG22  THR   6          HG22      THR   6   2.520  -0.784  -1.701
   37   HG23  THR   6          HG23      THR   6   3.485  -1.549  -2.962
   38    H    SER   7           H        SER   7   7.545  -1.324  -2.139
   39    HA   SER   7           HA       SER   7   9.091  -1.818   0.227
   40    HB2  SER   7           HB2      SER   7  10.147  -2.357  -1.838
   41    HB3  SER   7           HB1      SER   7   9.789  -0.769  -2.517
   42    HG   SER   7           HG       SER   7  11.652  -1.436  -0.496
   43    H    THR   8           H        THR   8   8.772   1.095  -1.811
   44    HA   THR   8           HA       THR   8   9.861   2.825   0.155
   45    HB   THR   8           HB       THR   8   9.079   4.664  -1.288
   46    HG1  THR   8           HG1      THR   8   7.325   4.239  -2.394
   47   HG21  THR   8          HG21      THR   8  11.089   4.072  -2.147
   48   HG22  THR   8          HG22      THR   8  10.107   3.527  -3.507
   49   HG23  THR   8          HG23      THR   8  10.646   2.372  -2.289
   50    HA   PRO   9           HA       PRO   9   6.416   3.730   2.725
   51    HB2  PRO   9           HB2      PRO   9   6.919   6.319   3.366
   52    HB3  PRO   9           HB1      PRO   9   7.859   4.970   4.012
   53    HG2  PRO   9           HG2      PRO   9   8.505   6.815   1.745
   54    HG3  PRO   9           HG1      PRO   9   9.561   6.221   3.040
   55    HD2  PRO   9           HD2      PRO   9   9.577   5.165   0.547
   56    HD3  PRO   9           HD1      PRO   9   9.912   4.196   1.996
   57    HA   PRO  10           HA       PRO  10   4.700   4.338   3.767
   58    HB2  PRO  10           HB2      PRO  10   2.202   3.366   3.334
   59    HB3  PRO  10           HB1      PRO  10   2.510   5.027   3.854
   60    HG2  PRO  10           HG2      PRO  10   1.934   3.976   1.110
   61    HG3  PRO  10           HG1      PRO  10   1.301   5.428   1.908
   62    HD2  PRO  10           HD2      PRO  10   3.312   5.520   0.096
   63    HD3  PRO  10           HD1      PRO  10   3.198   6.656   1.457
   64    H    PHE  11           H        PHE  11   5.167   2.275   4.319
   65    HA   PHE  11           HA       PHE  11   5.987   0.426   2.375
   66    HB2  PHE  11           HB2      PHE  11   5.246  -0.266   5.218
   67    HB3  PHE  11           HB1      PHE  11   6.416  -1.075   4.182
   68    HD1  PHE  11           HD2      PHE  11   7.928   1.194   3.101
   69    HD2  PHE  11           HD1      PHE  11   6.468   0.482   7.035
   70    HE1  PHE  11           HE2      PHE  11   9.718   2.610   4.017
   71    HE2  PHE  11           HE1      PHE  11   8.256   1.898   7.958
   72    HZ   PHE  11           HZ       PHE  11   9.884   2.965   6.449
   73    H    PHE  12           H        PHE  12   2.915   0.996   3.862
   74    HA   PHE  12           HA       PHE  12   1.788  -1.223   2.300
   75    HB2  PHE  12           HB2      PHE  12   1.997  -1.678   4.832
   76    HB3  PHE  12           HB1      PHE  12   0.700  -0.502   5.011
   77    HD1  PHE  12           HD1      PHE  12   1.556  -3.632   3.191
   78    HD2  PHE  12           HD2      PHE  12  -1.498  -1.199   4.884
   79    HE1  PHE  12           HE1      PHE  12  -0.097  -5.398   2.739
   80    HE2  PHE  12           HE2      PHE  12  -3.156  -2.960   4.435
   81    HZ   PHE  12           HZ       PHE  12  -2.456  -5.064   3.361
   82    H    THR  13           H        THR  13   0.168  -0.619   1.021
   83    HA   THR  13           HA       THR  13  -1.251   1.888   1.646
   84    HB   THR  13           HB       THR  13  -0.450   0.880  -1.091
   85    HG1  THR  13           HG1      THR  13   0.302   3.331   0.116
   86   HG21  THR  13          HG21      THR  13  -2.145   3.210  -0.216
   87   HG22  THR  13          HG22      THR  13  -2.551   1.931  -1.360
   88   HG23  THR  13          HG23      THR  13  -1.355   3.153  -1.791
   89    H    CYS  14           H        CYS  14  -3.447   1.960   1.249
   90    HA   CYS  14           HA       CYS  14  -4.700  -0.595   0.480
   91    HB2  CYS  14           HB2      CYS  14  -5.484   1.368   2.631
   92    HB3  CYS  14           HB1      CYS  14  -6.607   0.169   2.001
   93    H    THR  15           H        THR  15  -7.000  -0.304  -0.269
   94    HA   THR  15           HA       THR  15  -7.263   2.181  -1.833
   95    HB   THR  15           HB       THR  15  -8.375   0.874  -3.602
   96    HG1  THR  15           HG1      THR  15  -8.212  -1.435  -3.474
   97   HG21  THR  15          HG21      THR  15  -6.421   0.359  -4.631
   98   HG22  THR  15          HG22      THR  15  -5.841  -0.611  -3.276
   99   HG23  THR  15          HG23      THR  15  -5.724   1.148  -3.218
  100    HA   PRO  16           HA       PRO  16 -11.258   2.714  -0.086
  101    HB2  PRO  16           HB2      PRO  16 -12.552   3.948  -2.129
  102    HB3  PRO  16           HB1      PRO  16 -11.316   4.749  -1.152
  103    HG2  PRO  16           HG2      PRO  16 -11.069   3.487  -3.855
  104    HG3  PRO  16           HG1      PRO  16 -10.397   5.020  -3.271
  105    HD2  PRO  16           HD2      PRO  16  -8.921   2.757  -3.452
  106    HD3  PRO  16           HD1      PRO  16  -8.635   3.984  -2.202
  107    H    ASP  17           H        ASP  17 -10.813   0.853  -2.950
  108    HA   ASP  17           HA       ASP  17 -13.513   0.046  -3.341
  109    HB2  ASP  17           HB2      ASP  17 -10.875  -1.106  -4.243
  110    HB3  ASP  17           HB1      ASP  17 -12.420  -1.840  -4.663
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -10.827  -1.972  -2.208
    2    HA2  GLY   1           HA2      GLY   1 -11.401  -2.114   0.459
    3    HA3  GLY   1           HA1      GLY   1 -12.469  -3.308  -0.264
    4    H    ASP   2           H        ASP   2  -9.090  -2.352  -0.876
    5    HA   ASP   2           HA       ASP   2  -8.093  -4.875   0.082
    6    HB2  ASP   2           HB2      ASP   2  -8.899  -5.537  -2.142
    7    HB3  ASP   2           HB1      ASP   2  -7.937  -4.257  -2.876
    8    H    CYS   3           H        CYS   3  -5.773  -4.973   0.109
    9    HA   CYS   3           HA       CYS   3  -4.459  -2.379  -0.357
   10    HB2  CYS   3           HB2      CYS   3  -3.838  -4.187   1.980
   11    HB3  CYS   3           HB1      CYS   3  -3.268  -2.543   1.708
   12    H    TYR   4           H        TYR   4  -1.989  -2.658  -0.235
   13    HA   TYR   4           HA       TYR   4  -1.061  -5.252  -1.172
   14    HB2  TYR   4           HB2      TYR   4   0.088  -4.121  -3.139
   15    HB3  TYR   4           HB1      TYR   4  -1.654  -4.323  -3.274
   16    HD1  TYR   4           HD1      TYR   4  -3.150  -2.359  -2.953
   17    HD2  TYR   4           HD2      TYR   4   1.082  -1.959  -3.116
   18    HE1  TYR   4           HE1      TYR   4  -3.400   0.050  -3.378
   19    HE2  TYR   4           HE2      TYR   4   0.844   0.452  -3.540
   20    HH   TYR   4           HH       TYR   4  -2.239   1.903  -4.214
   21    H    TRP   5           H        TRP   5   1.241  -5.464  -1.156
   22    HA   TRP   5           HA       TRP   5   2.476  -3.784   0.865
   23    HB2  TRP   5           HB2      TRP   5   2.897  -6.051   1.266
   24    HB3  TRP   5           HB1      TRP   5   3.197  -6.393  -0.435
   25    HD1  TRP   5           HD       TRP   5   5.664  -6.613  -1.083
   26    HE1  TRP   5           HE1      TRP   5   7.913  -5.936  -0.029
   27    HE3  TRP   5           HE3      TRP   5   3.918  -3.998   2.948
   28    HZ2  TRP   5           HZ2      TRP   5   8.825  -4.486   2.215
   29    HZ3  TRP   5           HZ3      TRP   5   5.544  -2.998   4.501
   30    HH2  TRP   5           HH       TRP   5   7.946  -3.239   4.139
   31    H    THR   6           H        THR   6   4.342  -2.578   0.591
   32    HA   THR   6           HA       THR   6   5.482  -2.360  -2.090
   33    HB   THR   6           HB       THR   6   5.344   0.101  -2.071
   34    HG1  THR   6           HG1      THR   6   3.789   1.004  -0.521
   35   HG21  THR   6          HG21      THR   6   2.519  -0.759  -1.705
   36   HG22  THR   6          HG22      THR   6   3.477  -1.563  -2.948
   37   HG23  THR   6          HG23      THR   6   3.254   0.185  -3.001
   38    H    SER   7           H        SER   7   7.548  -1.331  -2.143
   39    HA   SER   7           HA       SER   7   9.093  -1.823   0.224
   40    HB2  SER   7           HB2      SER   7  10.164  -2.366  -1.823
   41    HB3  SER   7           HB1      SER   7   9.781  -0.796  -2.530
   42    HG   SER   7           HG       SER   7  11.995  -1.421  -1.380
   43    H    THR   8           H        THR   8   8.778   1.089  -1.817
   44    HA   THR   8           HA       THR   8   9.869   2.820   0.146
   45    HB   THR   8           HB       THR   8   9.087   4.658  -1.298
   46    HG1  THR   8           HG1      THR   8   7.239   4.115  -2.250
   47   HG21  THR   8          HG21      THR   8  10.530   2.317  -2.476
   48   HG22  THR   8          HG22      THR   8  11.151   3.903  -2.019
   49   HG23  THR   8          HG23      THR   8  10.179   3.724  -3.479
   50    HA   PRO   9           HA       PRO   9   6.426   3.729   2.718
   51    HB2  PRO   9           HB2      PRO   9   6.933   6.319   3.358
   52    HB3  PRO   9           HB1      PRO   9   7.873   4.969   4.004
   53    HG2  PRO   9           HG2      PRO   9   8.518   6.811   1.734
   54    HG3  PRO   9           HG1      PRO   9   9.575   6.218   3.028
   55    HD2  PRO   9           HD2      PRO   9   9.587   5.159   0.537
   56    HD3  PRO   9           HD1      PRO   9   9.923   4.191   1.986
   57    HA   PRO  10           HA       PRO  10   4.712   4.340   3.762
   58    HB2  PRO  10           HB2      PRO  10   2.214   3.370   3.331
   59    HB3  PRO  10           HB1      PRO  10   2.522   5.031   3.849
   60    HG2  PRO  10           HG2      PRO  10   1.944   3.979   1.107
   61    HG3  PRO  10           HG1      PRO  10   1.313   5.432   1.904
   62    HD2  PRO  10           HD2      PRO  10   3.323   5.521   0.092
   63    HD3  PRO  10           HD1      PRO  10   3.211   6.658   1.451
   64    H    PHE  11           H        PHE  11   5.178   2.278   4.314
   65    HA   PHE  11           HA       PHE  11   5.995   0.425   2.371
   66    HB2  PHE  11           HB2      PHE  11   5.255  -0.264   5.215
   67    HB3  PHE  11           HB1      PHE  11   6.424  -1.074   4.177
   68    HD1  PHE  11           HD2      PHE  11   7.936   1.192   3.094
   69    HD2  PHE  11           HD1      PHE  11   6.479   0.486   7.030
   70    HE1  PHE  11           HE2      PHE  11   9.730   2.608   4.008
   71    HE2  PHE  11           HE1      PHE  11   8.269   1.900   7.951
   72    HZ   PHE  11           HZ       PHE  11   9.898   2.964   6.440
   73    H    PHE  12           H        PHE  12   2.925   0.998   3.861
   74    HA   PHE  12           HA       PHE  12   1.792  -1.217   2.299
   75    HB2  PHE  12           HB2      PHE  12   2.009  -1.676   4.832
   76    HB3  PHE  12           HB1      PHE  12   0.709  -0.502   5.014
   77    HD1  PHE  12           HD1      PHE  12   1.559  -3.608   3.145
   78    HD2  PHE  12           HD2      PHE  12  -1.477  -1.224   4.934
   79    HE1  PHE  12           HE1      PHE  12  -0.091  -5.376   2.692
   80    HE2  PHE  12           HE2      PHE  12  -3.132  -2.989   4.486
   81    HZ   PHE  12           HZ       PHE  12  -2.441  -5.068   3.363
   82    H    THR  13           H        THR  13   0.162  -0.616   1.032
   83    HA   THR  13           HA       THR  13  -1.253   1.891   1.664
   84    HB   THR  13           HB       THR  13  -0.456   0.893  -1.077
   85    HG1  THR  13           HG1      THR  13   1.273   2.016  -0.600
   86   HG21  THR  13          HG21      THR  13  -2.501   1.943  -1.447
   87   HG22  THR  13          HG22      THR  13  -1.343   3.251  -1.685
   88   HG23  THR  13          HG23      THR  13  -2.234   3.128  -0.169
   89    H    CYS  14           H        CYS  14  -3.450   1.963   1.274
   90    HA   CYS  14           HA       CYS  14  -4.702  -0.592   0.500
   91    HB2  CYS  14           HB2      CYS  14  -5.486   1.370   2.652
   92    HB3  CYS  14           HB1      CYS  14  -6.608   0.170   2.022
   93    H    THR  15           H        THR  15  -7.004  -0.302  -0.246
   94    HA   THR  15           HA       THR  15  -7.275   2.188  -1.802
   95    HB   THR  15           HB       THR  15  -8.369   0.885  -3.584
   96    HG1  THR  15           HG1      THR  15  -9.018  -1.055  -3.063
   97   HG21  THR  15          HG21      THR  15  -5.802   1.278  -3.372
   98   HG22  THR  15          HG22      THR  15  -6.412   0.161  -4.594
   99   HG23  THR  15          HG23      THR  15  -5.743  -0.460  -3.086
  100    HA   PRO  16           HA       PRO  16 -11.279   2.682  -0.066
  101    HB2  PRO  16           HB2      PRO  16 -12.574   3.919  -2.106
  102    HB3  PRO  16           HB1      PRO  16 -11.348   4.723  -1.119
  103    HG2  PRO  16           HG2      PRO  16 -11.082   3.480  -3.830
  104    HG3  PRO  16           HG1      PRO  16 -10.422   5.014  -3.232
  105    HD2  PRO  16           HD2      PRO  16  -8.930   2.762  -3.424
  106    HD3  PRO  16           HD1      PRO  16  -8.658   3.984  -2.164
  107    H    ASP  17           H        ASP  17 -10.839   0.889  -2.991
  108    HA   ASP  17           HA       ASP  17 -13.521   0.054  -3.381
  109    HB2  ASP  17           HB2      ASP  17 -11.757  -0.071  -5.129
  110    HB3  ASP  17           HB1      ASP  17 -10.979  -1.359  -4.213
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -10.839  -1.998  -2.201
    2    HA2  GLY   1           HA2      GLY   1 -11.390  -2.112   0.484
    3    HA3  GLY   1           HA1      GLY   1 -12.460  -3.307  -0.234
    4    H    ASP   2           H        ASP   2  -9.092  -2.357  -0.897
    5    HA   ASP   2           HA       ASP   2  -8.089  -4.881   0.067
    6    HB2  ASP   2           HB2      ASP   2  -8.868  -5.580  -2.129
    7    HB3  ASP   2           HB1      ASP   2  -8.003  -4.249  -2.890
    8    H    CYS   3           H        CYS   3  -5.772  -4.975   0.102
    9    HA   CYS   3           HA       CYS   3  -4.457  -2.382  -0.365
   10    HB2  CYS   3           HB2      CYS   3  -3.839  -4.189   1.974
   11    HB3  CYS   3           HB1      CYS   3  -3.267  -2.546   1.702
   12    H    TYR   4           H        TYR   4  -1.985  -2.662  -0.239
   13    HA   TYR   4           HA       TYR   4  -1.058  -5.256  -1.173
   14    HB2  TYR   4           HB2      TYR   4   0.093  -4.131  -3.140
   15    HB3  TYR   4           HB1      TYR   4  -1.650  -4.333  -3.276
   16    HD1  TYR   4           HD1      TYR   4  -3.145  -2.368  -2.960
   17    HD2  TYR   4           HD2      TYR   4   1.087  -1.968  -3.120
   18    HE1  TYR   4           HE1      TYR   4  -3.396   0.041  -3.389
   19    HE2  TYR   4           HE2      TYR   4   0.849   0.443  -3.548
   20    HH   TYR   4           HH       TYR   4  -0.727   2.026  -4.328
   21    H    TRP   5           H        TRP   5   1.245  -5.470  -1.155
   22    HA   TRP   5           HA       TRP   5   2.477  -3.788   0.865
   23    HB2  TRP   5           HB2      TRP   5   2.901  -6.055   1.266
   24    HB3  TRP   5           HB1      TRP   5   3.202  -6.397  -0.435
   25    HD1  TRP   5           HD       TRP   5   5.669  -6.614  -1.083
   26    HE1  TRP   5           HE1      TRP   5   7.916  -5.936  -0.028
   27    HE3  TRP   5           HE3      TRP   5   3.920  -4.001   2.949
   28    HZ2  TRP   5           HZ2      TRP   5   8.828  -4.486   2.216
   29    HZ3  TRP   5           HZ3      TRP   5   5.544  -3.001   4.502
   30    HH2  TRP   5           HH       TRP   5   7.948  -3.240   4.141
   31    H    THR   6           H        THR   6   4.341  -2.579   0.592
   32    HA   THR   6           HA       THR   6   5.482  -2.360  -2.088
   33    HB   THR   6           HB       THR   6   5.344   0.100  -2.068
   34    HG1  THR   6           HG1      THR   6   4.989   0.859  -0.105
   35   HG21  THR   6          HG21      THR   6   3.479  -1.561  -2.949
   36   HG22  THR   6          HG22      THR   6   3.249   0.187  -2.992
   37   HG23  THR   6          HG23      THR   6   2.521  -0.767  -1.701
   38    H    SER   7           H        SER   7   7.546  -1.324  -2.141
   39    HA   SER   7           HA       SER   7   9.093  -1.820   0.224
   40    HB2  SER   7           HB2      SER   7   9.814  -2.164  -2.229
   41    HB3  SER   7           HB1      SER   7  10.116  -0.426  -2.243
   42    HG   SER   7           HG       SER   7  11.293  -2.352  -0.521
   43    H    THR   8           H        THR   8   8.776   1.094  -1.813
   44    HA   THR   8           HA       THR   8   9.864   2.824   0.153
   45    HB   THR   8           HB       THR   8   9.082   4.663  -1.290
   46    HG1  THR   8           HG1      THR   8   8.127   3.726  -3.390
   47   HG21  THR   8          HG21      THR   8  10.619   4.291  -2.962
   48   HG22  THR   8          HG22      THR   8  10.127   2.612  -3.190
   49   HG23  THR   8          HG23      THR   8  11.109   3.063  -1.796
   50    HA   PRO   9           HA       PRO   9   6.420   3.729   2.723
   51    HB2  PRO   9           HB2      PRO   9   6.923   6.319   3.363
   52    HB3  PRO   9           HB1      PRO   9   7.864   4.969   4.010
   53    HG2  PRO   9           HG2      PRO   9   8.509   6.813   1.742
   54    HG3  PRO   9           HG1      PRO   9   9.566   6.220   3.038
   55    HD2  PRO   9           HD2      PRO   9   9.582   5.163   0.544
   56    HD3  PRO   9           HD1      PRO   9   9.916   4.194   1.994
   57    HA   PRO  10           HA       PRO  10   4.704   4.338   3.765
   58    HB2  PRO  10           HB2      PRO  10   2.206   3.366   3.332
   59    HB3  PRO  10           HB1      PRO  10   2.514   5.028   3.852
   60    HG2  PRO  10           HG2      PRO  10   1.938   3.977   1.108
   61    HG3  PRO  10           HG1      PRO  10   1.305   5.429   1.906
   62    HD2  PRO  10           HD2      PRO  10   3.316   5.521   0.095
   63    HD3  PRO  10           HD1      PRO  10   3.203   6.657   1.455
   64    H    PHE  11           H        PHE  11   5.171   2.276   4.317
   65    HA   PHE  11           HA       PHE  11   5.991   0.426   2.373
   66    HB2  PHE  11           HB2      PHE  11   5.248  -0.265   5.216
   67    HB3  PHE  11           HB1      PHE  11   6.419  -1.075   4.180
   68    HD1  PHE  11           HD2      PHE  11   7.931   1.194   3.099
   69    HD2  PHE  11           HD1      PHE  11   6.471   0.483   7.033
   70    HE1  PHE  11           HE2      PHE  11   9.723   2.609   4.015
   71    HE2  PHE  11           HE1      PHE  11   8.260   1.899   7.957
   72    HZ   PHE  11           HZ       PHE  11   9.888   2.965   6.446
   73    H    PHE  12           H        PHE  12   2.918   0.998   3.859
   74    HA   PHE  12           HA       PHE  12   1.789  -1.220   2.296
   75    HB2  PHE  12           HB2      PHE  12   2.003  -1.673   4.831
   76    HB3  PHE  12           HB1      PHE  12   0.698  -0.504   5.008
   77    HD1  PHE  12           HD1      PHE  12   1.578  -3.636   3.205
   78    HD2  PHE  12           HD2      PHE  12  -1.499  -1.206   4.862
   79    HE1  PHE  12           HE1      PHE  12  -0.064  -5.411   2.750
   80    HE2  PHE  12           HE2      PHE  12  -3.145  -2.977   4.410
   81    HZ   PHE  12           HZ       PHE  12  -2.430  -5.083   3.354
   82    H    THR  13           H        THR  13   0.162  -0.618   1.025
   83    HA   THR  13           HA       THR  13  -1.254   1.889   1.653
   84    HB   THR  13           HB       THR  13  -0.454   0.886  -1.086
   85    HG1  THR  13           HG1      THR  13   0.892   2.698  -1.078
   86   HG21  THR  13          HG21      THR  13  -2.247   3.109  -0.181
   87   HG22  THR  13          HG22      THR  13  -2.487   1.937  -1.478
   88   HG23  THR  13          HG23      THR  13  -1.336   3.257  -1.683
   89    H    CYS  14           H        CYS  14  -3.450   1.960   1.260
   90    HA   CYS  14           HA       CYS  14  -4.702  -0.594   0.490
   91    HB2  CYS  14           HB2      CYS  14  -5.486   1.371   2.638
   92    HB3  CYS  14           HB1      CYS  14  -6.610   0.171   2.009
   93    H    THR  15           H        THR  15  -7.004  -0.305  -0.257
   94    HA   THR  15           HA       THR  15  -7.267   2.179  -1.825
   95    HB   THR  15           HB       THR  15  -8.376   0.871  -3.595
   96    HG1  THR  15           HG1      THR  15  -7.432  -1.520  -2.463
   97   HG21  THR  15          HG21      THR  15  -5.816   1.259  -3.418
   98   HG22  THR  15          HG22      THR  15  -6.424   0.100  -4.600
   99   HG23  THR  15          HG23      THR  15  -5.746  -0.469  -3.075
  100    HA   PRO  16           HA       PRO  16 -11.264   2.709  -0.081
  101    HB2  PRO  16           HB2      PRO  16 -12.557   3.941  -2.126
  102    HB3  PRO  16           HB1      PRO  16 -11.323   4.744  -1.147
  103    HG2  PRO  16           HG2      PRO  16 -11.072   3.481  -3.850
  104    HG3  PRO  16           HG1      PRO  16 -10.401   5.015  -3.265
  105    HD2  PRO  16           HD2      PRO  16  -8.924   2.753  -3.446
  106    HD3  PRO  16           HD1      PRO  16  -8.640   3.981  -2.195
  107    H    ASP  17           H        ASP  17 -10.827   0.869  -2.968
  108    HA   ASP  17           HA       ASP  17 -13.523   0.053  -3.351
  109    HB2  ASP  17           HB2      ASP  17 -11.501  -0.090  -4.980
  110    HB3  ASP  17           HB1      ASP  17 -11.162  -1.615  -4.166
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -10.861  -2.039  -2.214
    2    HA2  GLY   1           HA2      GLY   1 -11.381  -2.093   0.496
    3    HA3  GLY   1           HA1      GLY   1 -12.454  -3.293  -0.208
    4    H    ASP   2           H        ASP   2  -9.094  -2.358  -0.923
    5    HA   ASP   2           HA       ASP   2  -8.092  -4.879   0.062
    6    HB2  ASP   2           HB2      ASP   2  -8.415  -4.330  -2.855
    7    HB3  ASP   2           HB1      ASP   2  -6.970  -5.187  -2.323
    8    H    CYS   3           H        CYS   3  -5.776  -4.975   0.100
    9    HA   CYS   3           HA       CYS   3  -4.455  -2.385  -0.365
   10    HB2  CYS   3           HB2      CYS   3  -3.843  -4.192   1.975
   11    HB3  CYS   3           HB1      CYS   3  -3.269  -2.549   1.703
   12    H    TYR   4           H        TYR   4  -1.986  -2.668  -0.236
   13    HA   TYR   4           HA       TYR   4  -1.058  -5.265  -1.165
   14    HB2  TYR   4           HB2      TYR   4   0.093  -4.145  -3.134
   15    HB3  TYR   4           HB1      TYR   4  -1.650  -4.346  -3.271
   16    HD1  TYR   4           HD1      TYR   4  -3.144  -2.379  -2.959
   17    HD2  TYR   4           HD2      TYR   4   1.089  -1.982  -3.118
   18    HE1  TYR   4           HE1      TYR   4  -3.392   0.028  -3.396
   19    HE2  TYR   4           HE2      TYR   4   0.853   0.427  -3.554
   20    HH   TYR   4           HH       TYR   4  -1.005   1.938  -4.582
   21    H    TRP   5           H        TRP   5   1.248  -5.472  -1.158
   22    HA   TRP   5           HA       TRP   5   2.480  -3.792   0.865
   23    HB2  TRP   5           HB2      TRP   5   2.909  -6.059   1.261
   24    HB3  TRP   5           HB1      TRP   5   3.207  -6.397  -0.442
   25    HD1  TRP   5           HD       TRP   5   5.674  -6.608  -1.093
   26    HE1  TRP   5           HE1      TRP   5   7.922  -5.927  -0.041
   27    HE3  TRP   5           HE3      TRP   5   3.925  -4.007   2.946
   28    HZ2  TRP   5           HZ2      TRP   5   8.834  -4.479   2.205
   29    HZ3  TRP   5           HZ3      TRP   5   5.551  -3.005   4.498
   30    HH2  TRP   5           HH       TRP   5   7.954  -3.239   4.134
   31    H    THR   6           H        THR   6   4.340  -2.579   0.590
   32    HA   THR   6           HA       THR   6   5.477  -2.352  -2.091
   33    HB   THR   6           HB       THR   6   5.334   0.107  -2.067
   34    HG1  THR   6           HG1      THR   6   3.783   1.005  -0.512
   35   HG21  THR   6          HG21      THR   6   3.464  -1.566  -2.935
   36   HG22  THR   6          HG22      THR   6   3.247   0.183  -3.001
   37   HG23  THR   6          HG23      THR   6   2.510  -0.748  -1.699
   38    H    SER   7           H        SER   7   7.540  -1.323  -2.146
   39    HA   SER   7           HA       SER   7   9.090  -1.815   0.217
   40    HB2  SER   7           HB2      SER   7   9.785  -2.126  -2.269
   41    HB3  SER   7           HB1      SER   7  10.143  -0.400  -2.218
   42    HG   SER   7           HG       SER   7  11.485  -0.902  -0.356
   43    H    THR   8           H        THR   8   8.766   1.099  -1.817
   44    HA   THR   8           HA       THR   8   9.857   2.829   0.148
   45    HB   THR   8           HB       THR   8   9.070   4.668  -1.291
   46    HG1  THR   8           HG1      THR   8   7.449   4.326  -2.597
   47   HG21  THR   8          HG21      THR   8  11.047   2.920  -1.835
   48   HG22  THR   8          HG22      THR   8  10.693   4.329  -2.836
   49   HG23  THR   8          HG23      THR   8  10.073   2.743  -3.295
   50    HA   PRO   9           HA       PRO   9   6.415   3.727   2.726
   51    HB2  PRO   9           HB2      PRO   9   6.918   6.317   3.370
   52    HB3  PRO   9           HB1      PRO   9   7.862   4.967   4.012
   53    HG2  PRO   9           HG2      PRO   9   8.501   6.815   1.746
   54    HG3  PRO   9           HG1      PRO   9   9.559   6.221   3.037
   55    HD2  PRO   9           HD2      PRO   9   9.573   5.167   0.543
   56    HD3  PRO   9           HD1      PRO   9   9.910   4.197   1.992
   57    HA   PRO  10           HA       PRO  10   4.702   4.334   3.774
   58    HB2  PRO  10           HB2      PRO  10   2.204   3.361   3.345
   59    HB3  PRO  10           HB1      PRO  10   2.511   5.023   3.865
   60    HG2  PRO  10           HG2      PRO  10   1.931   3.973   1.122
   61    HG3  PRO  10           HG1      PRO  10   1.299   5.423   1.922
   62    HD2  PRO  10           HD2      PRO  10   3.305   5.519   0.107
   63    HD3  PRO  10           HD1      PRO  10   3.194   6.654   1.467
   64    H    PHE  11           H        PHE  11   5.173   2.272   4.321
   65    HA   PHE  11           HA       PHE  11   5.989   0.424   2.375
   66    HB2  PHE  11           HB2      PHE  11   5.253  -0.269   5.219
   67    HB3  PHE  11           HB1      PHE  11   6.421  -1.078   4.180
   68    HD1  PHE  11           HD2      PHE  11   7.930   1.193   3.097
   69    HD2  PHE  11           HD1      PHE  11   6.481   0.476   7.035
   70    HE1  PHE  11           HE2      PHE  11   9.722   2.609   4.010
   71    HE2  PHE  11           HE1      PHE  11   8.271   1.891   7.954
   72    HZ   PHE  11           HZ       PHE  11   9.894   2.961   6.442
   73    H    PHE  12           H        PHE  12   2.917   1.000   3.855
   74    HA   PHE  12           HA       PHE  12   1.789  -1.222   2.299
   75    HB2  PHE  12           HB2      PHE  12   2.002  -1.660   4.840
   76    HB3  PHE  12           HB1      PHE  12   0.687  -0.500   5.003
   77    HD1  PHE  12           HD1      PHE  12   1.594  -3.620   3.186
   78    HD2  PHE  12           HD2      PHE  12  -1.495  -1.237   4.887
   79    HE1  PHE  12           HE1      PHE  12  -0.032  -5.410   2.732
   80    HE2  PHE  12           HE2      PHE  12  -3.126  -3.024   4.437
   81    HZ   PHE  12           HZ       PHE  12  -2.395  -5.114   3.359
   82    H    THR  13           H        THR  13   0.166  -0.622   1.023
   83    HA   THR  13           HA       THR  13  -1.250   1.888   1.644
   84    HB   THR  13           HB       THR  13  -0.453   0.874  -1.092
   85    HG1  THR  13           HG1      THR  13   0.851   2.754  -1.088
   86   HG21  THR  13          HG21      THR  13  -2.554   1.925  -1.360
   87   HG22  THR  13          HG22      THR  13  -1.357   3.144  -1.798
   88   HG23  THR  13          HG23      THR  13  -2.144   3.207  -0.220
   89    H    CYS  14           H        CYS  14  -3.447   1.961   1.249
   90    HA   CYS  14           HA       CYS  14  -4.701  -0.595   0.484
   91    HB2  CYS  14           HB2      CYS  14  -5.481   1.371   2.635
   92    HB3  CYS  14           HB1      CYS  14  -6.605   0.169   2.007
   93    H    THR  15           H        THR  15  -6.991  -0.314  -0.278
   94    HA   THR  15           HA       THR  15  -7.258   2.173  -1.839
   95    HB   THR  15           HB       THR  15  -8.373   0.864  -3.605
   96    HG1  THR  15           HG1      THR  15  -8.785  -1.213  -3.345
   97   HG21  THR  15          HG21      THR  15  -5.829  -0.609  -3.253
   98   HG22  THR  15          HG22      THR  15  -5.732   1.151  -3.248
   99   HG23  THR  15          HG23      THR  15  -6.424   0.309  -4.634
  100    HA   PRO  16           HA       PRO  16 -11.250   2.716  -0.089
  101    HB2  PRO  16           HB2      PRO  16 -12.544   3.946  -2.134
  102    HB3  PRO  16           HB1      PRO  16 -11.307   4.748  -1.160
  103    HG2  PRO  16           HG2      PRO  16 -11.064   3.479  -3.860
  104    HG3  PRO  16           HG1      PRO  16 -10.389   5.012  -3.281
  105    HD2  PRO  16           HD2      PRO  16  -8.917   2.747  -3.459
  106    HD3  PRO  16           HD1      PRO  16  -8.628   3.977  -2.212
  107    H    ASP  17           H        ASP  17 -10.819   0.861  -2.964
  108    HA   ASP  17           HA       ASP  17 -13.519   0.053  -3.344
  109    HB2  ASP  17           HB2      ASP  17 -11.493  -0.101  -4.971
  110    HB3  ASP  17           HB1      ASP  17 -11.168  -1.629  -4.158
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -10.850  -2.021  -2.220
    2    HA2  GLY   1           HA2      GLY   1 -11.393  -2.115   0.477
    3    HA3  GLY   1           HA1      GLY   1 -12.461  -3.311  -0.242
    4    H    ASP   2           H        ASP   2  -9.093  -2.359  -0.904
    5    HA   ASP   2           HA       ASP   2  -8.089  -4.882   0.063
    6    HB2  ASP   2           HB2      ASP   2  -8.929  -5.478  -2.195
    7    HB3  ASP   2           HB1      ASP   2  -7.865  -4.256  -2.888
    8    H    CYS   3           H        CYS   3  -5.773  -4.974   0.102
    9    HA   CYS   3           HA       CYS   3  -4.460  -2.381  -0.364
   10    HB2  CYS   3           HB2      CYS   3  -3.839  -4.191   1.972
   11    HB3  CYS   3           HB1      CYS   3  -3.269  -2.546   1.702
   12    H    TYR   4           H        TYR   4  -1.988  -2.658  -0.239
   13    HA   TYR   4           HA       TYR   4  -1.058  -5.251  -1.178
   14    HB2  TYR   4           HB2      TYR   4   0.092  -4.121  -3.142
   15    HB3  TYR   4           HB1      TYR   4  -1.652  -4.323  -3.278
   16    HD1  TYR   4           HD1      TYR   4  -3.148  -2.359  -2.959
   17    HD2  TYR   4           HD2      TYR   4   1.085  -1.958  -3.116
   18    HE1  TYR   4           HE1      TYR   4  -3.398   0.051  -3.384
   19    HE2  TYR   4           HE2      TYR   4   0.847   0.453  -3.541
   20    HH   TYR   4           HH       TYR   4  -2.117   1.888  -4.378
   21    H    TRP   5           H        TRP   5   1.242  -5.467  -1.154
   22    HA   TRP   5           HA       TRP   5   2.475  -3.783   0.865
   23    HB2  TRP   5           HB2      TRP   5   2.897  -6.051   1.268
   24    HB3  TRP   5           HB1      TRP   5   3.198  -6.394  -0.433
   25    HD1  TRP   5           HD       TRP   5   5.665  -6.613  -1.078
   26    HE1  TRP   5           HE1      TRP   5   7.912  -5.936  -0.023
   27    HE3  TRP   5           HE3      TRP   5   3.915  -3.997   2.950
   28    HZ2  TRP   5           HZ2      TRP   5   8.823  -4.486   2.221
   29    HZ3  TRP   5           HZ3      TRP   5   5.540  -2.998   4.504
   30    HH2  TRP   5           HH       TRP   5   7.943  -3.238   4.145
   31    H    THR   6           H        THR   6   4.340  -2.577   0.592
   32    HA   THR   6           HA       THR   6   5.484  -2.360  -2.087
   33    HB   THR   6           HB       THR   6   5.347   0.099  -2.069
   34    HG1  THR   6           HG1      THR   6   3.789   1.002  -0.521
   35   HG21  THR   6          HG21      THR   6   3.260   0.180  -3.007
   36   HG22  THR   6          HG22      THR   6   2.520  -0.754  -1.707
   37   HG23  THR   6          HG23      THR   6   3.478  -1.568  -2.942
   38    H    SER   7           H        SER   7   7.549  -1.332  -2.139
   39    HA   SER   7           HA       SER   7   9.092  -1.823   0.230
   40    HB2  SER   7           HB2      SER   7   9.749  -2.078  -2.312
   41    HB3  SER   7           HB1      SER   7  10.220  -0.387  -2.142
   42    HG   SER   7           HG       SER   7  11.736  -2.320  -1.582
   43    H    THR   8           H        THR   8   8.780   1.087  -1.812
   44    HA   THR   8           HA       THR   8   9.869   2.819   0.151
   45    HB   THR   8           HB       THR   8   9.089   4.657  -1.294
   46    HG1  THR   8           HG1      THR   8   7.742   4.284  -2.970
   47   HG21  THR   8          HG21      THR   8  11.009   2.780  -1.875
   48   HG22  THR   8          HG22      THR   8  10.791   4.315  -2.716
   49   HG23  THR   8          HG23      THR   8  10.069   2.843  -3.366
   50    HA   PRO   9           HA       PRO   9   6.424   3.730   2.720
   51    HB2  PRO   9           HB2      PRO   9   6.930   6.320   3.358
   52    HB3  PRO   9           HB1      PRO   9   7.870   4.969   4.006
   53    HG2  PRO   9           HG2      PRO   9   8.518   6.811   1.736
   54    HG3  PRO   9           HG1      PRO   9   9.573   6.218   3.032
   55    HD2  PRO   9           HD2      PRO   9   9.588   5.158   0.540
   56    HD3  PRO   9           HD1      PRO   9   9.921   4.191   1.990
   57    HA   PRO  10           HA       PRO  10   4.710   4.341   3.761
   58    HB2  PRO  10           HB2      PRO  10   2.211   3.371   3.328
   59    HB3  PRO  10           HB1      PRO  10   2.519   5.032   3.846
   60    HG2  PRO  10           HG2      PRO  10   1.943   3.979   1.104
   61    HG3  PRO  10           HG1      PRO  10   1.312   5.433   1.899
   62    HD2  PRO  10           HD2      PRO  10   3.324   5.521   0.089
   63    HD3  PRO  10           HD1      PRO  10   3.211   6.659   1.447
   64    H    PHE  11           H        PHE  11   5.175   2.279   4.314
   65    HA   PHE  11           HA       PHE  11   5.992   0.426   2.372
   66    HB2  PHE  11           HB2      PHE  11   5.251  -0.261   5.216
   67    HB3  PHE  11           HB1      PHE  11   6.420  -1.073   4.181
   68    HD1  PHE  11           HD2      PHE  11   7.935   1.193   3.098
   69    HD2  PHE  11           HD1      PHE  11   6.472   0.489   7.033
   70    HE1  PHE  11           HE2      PHE  11   9.727   2.608   4.013
   71    HE2  PHE  11           HE1      PHE  11   8.261   1.904   7.955
   72    HZ   PHE  11           HZ       PHE  11   9.892   2.964   6.445
   73    H    PHE  12           H        PHE  12   2.921   1.000   3.861
   74    HA   PHE  12           HA       PHE  12   1.790  -1.217   2.298
   75    HB2  PHE  12           HB2      PHE  12   2.007  -1.661   4.839
   76    HB3  PHE  12           HB1      PHE  12   0.691  -0.503   5.006
   77    HD1  PHE  12           HD1      PHE  12   1.607  -3.634   3.218
   78    HD2  PHE  12           HD2      PHE  12  -1.498  -1.224   4.851
   79    HE1  PHE  12           HE1      PHE  12  -0.018  -5.424   2.761
   80    HE2  PHE  12           HE2      PHE  12  -3.128  -3.011   4.398
   81    HZ   PHE  12           HZ       PHE  12  -2.389  -5.115   3.353
   82    H    THR  13           H        THR  13   0.158  -0.617   1.032
   83    HA   THR  13           HA       THR  13  -1.257   1.890   1.663
   84    HB   THR  13           HB       THR  13  -0.456   0.893  -1.078
   85    HG1  THR  13           HG1      THR  13   0.290   3.352   0.105
   86   HG21  THR  13          HG21      THR  13  -1.325   3.381  -1.524
   87   HG22  THR  13          HG22      THR  13  -2.369   2.967  -0.164
   88   HG23  THR  13          HG23      THR  13  -2.384   1.976  -1.622
   89    H    CYS  14           H        CYS  14  -3.454   1.962   1.267
   90    HA   CYS  14           HA       CYS  14  -4.703  -0.593   0.491
   91    HB2  CYS  14           HB2      CYS  14  -5.491   1.367   2.645
   92    HB3  CYS  14           HB1      CYS  14  -6.612   0.166   2.012
   93    H    THR  15           H        THR  15  -7.008  -0.301  -0.253
   94    HA   THR  15           HA       THR  15  -7.274   2.187  -1.812
   95    HB   THR  15           HB       THR  15  -8.375   0.884  -3.590
   96    HG1  THR  15           HG1      THR  15  -9.081  -1.010  -2.944
   97   HG21  THR  15          HG21      THR  15  -5.794   1.259  -3.354
   98   HG22  THR  15          HG22      THR  15  -6.421   0.185  -4.606
   99   HG23  THR  15          HG23      THR  15  -5.763  -0.488  -3.115
  100    HA   PRO  16           HA       PRO  16 -11.275   2.695  -0.072
  101    HB2  PRO  16           HB2      PRO  16 -12.569   3.932  -2.112
  102    HB3  PRO  16           HB1      PRO  16 -11.339   4.734  -1.128
  103    HG2  PRO  16           HG2      PRO  16 -11.080   3.486  -3.837
  104    HG3  PRO  16           HG1      PRO  16 -10.415   5.019  -3.243
  105    HD2  PRO  16           HD2      PRO  16  -8.930   2.763  -3.432
  106    HD3  PRO  16           HD1      PRO  16  -8.652   3.986  -2.175
  107    H    ASP  17           H        ASP  17 -10.829   0.872  -2.968
  108    HA   ASP  17           HA       ASP  17 -13.519   0.050  -3.362
  109    HB2  ASP  17           HB2      ASP  17 -10.882  -1.121  -4.253
  110    HB3  ASP  17           HB1      ASP  17 -12.438  -1.809  -4.708
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -10.828  -2.007  -2.207
    2    HA2  GLY   1           HA2      GLY   1 -11.404  -2.109   0.471
    3    HA3  GLY   1           HA1      GLY   1 -12.467  -3.310  -0.250
    4    H    ASP   2           H        ASP   2  -9.099  -2.365  -0.915
    5    HA   ASP   2           HA       ASP   2  -8.096  -4.875   0.086
    6    HB2  ASP   2           HB2      ASP   2  -8.423  -4.366  -2.834
    7    HB3  ASP   2           HB1      ASP   2  -6.965  -5.195  -2.297
    8    H    CYS   3           H        CYS   3  -5.773  -4.971   0.110
    9    HA   CYS   3           HA       CYS   3  -4.465  -2.376  -0.361
   10    HB2  CYS   3           HB2      CYS   3  -3.837  -4.182   1.976
   11    HB3  CYS   3           HB1      CYS   3  -3.269  -2.539   1.702
   12    H    TYR   4           H        TYR   4  -1.993  -2.650  -0.241
   13    HA   TYR   4           HA       TYR   4  -1.064  -5.242  -1.184
   14    HB2  TYR   4           HB2      TYR   4   0.085  -4.106  -3.147
   15    HB3  TYR   4           HB1      TYR   4  -1.657  -4.308  -3.283
   16    HD1  TYR   4           HD1      TYR   4  -3.154  -2.344  -2.956
   17    HD2  TYR   4           HD2      TYR   4   1.079  -1.943  -3.118
   18    HE1  TYR   4           HE1      TYR   4  -3.405   0.066  -3.375
   19    HE2  TYR   4           HE2      TYR   4   0.840   0.469  -3.535
   20    HH   TYR   4           HH       TYR   4  -0.617   2.211  -3.482
   21    H    TRP   5           H        TRP   5   1.236  -5.458  -1.162
   22    HA   TRP   5           HA       TRP   5   2.471  -3.779   0.860
   23    HB2  TRP   5           HB2      TRP   5   2.890  -6.047   1.260
   24    HB3  TRP   5           HB1      TRP   5   3.191  -6.389  -0.441
   25    HD1  TRP   5           HD       TRP   5   5.658  -6.609  -1.088
   26    HE1  TRP   5           HE1      TRP   5   7.907  -5.936  -0.033
   27    HE3  TRP   5           HE3      TRP   5   3.911  -3.997   2.945
   28    HZ2  TRP   5           HZ2      TRP   5   8.819  -4.489   2.213
   29    HZ3  TRP   5           HZ3      TRP   5   5.539  -3.000   4.499
   30    HH2  TRP   5           HH       TRP   5   7.941  -3.243   4.139
   31    H    THR   6           H        THR   6   4.340  -2.575   0.588
   32    HA   THR   6           HA       THR   6   5.482  -2.357  -2.090
   33    HB   THR   6           HB       THR   6   5.347   0.103  -2.074
   34    HG1  THR   6           HG1      THR   6   4.736   1.078  -0.306
   35   HG21  THR   6          HG21      THR   6   3.525  -1.494  -3.034
   36   HG22  THR   6          HG22      THR   6   3.193   0.235  -2.923
   37   HG23  THR   6          HG23      THR   6   2.539  -0.869  -1.713
   38    H    SER   7           H        SER   7   7.551  -1.337  -2.142
   39    HA   SER   7           HA       SER   7   9.091  -1.828   0.227
   40    HB2  SER   7           HB2      SER   7  10.202  -2.375  -1.778
   41    HB3  SER   7           HB1      SER   7   9.760  -0.847  -2.543
   42    HG   SER   7           HG       SER   7  11.666  -1.302  -0.500
   43    H    THR   8           H        THR   8   8.781   1.084  -1.814
   44    HA   THR   8           HA       THR   8   9.872   2.815   0.149
   45    HB   THR   8           HB       THR   8   9.091   4.653  -1.296
   46    HG1  THR   8           HG1      THR   8   7.311   4.204  -2.361
   47   HG21  THR   8          HG21      THR   8  10.258   3.883  -3.413
   48   HG22  THR   8          HG22      THR   8  10.429   2.310  -2.633
   49   HG23  THR   8          HG23      THR   8  11.183   3.736  -1.920
   50    HA   PRO   9           HA       PRO   9   6.430   3.726   2.721
   51    HB2  PRO   9           HB2      PRO   9   6.938   6.316   3.360
   52    HB3  PRO   9           HB1      PRO   9   7.877   4.965   4.006
   53    HG2  PRO   9           HG2      PRO   9   8.523   6.807   1.737
   54    HG3  PRO   9           HG1      PRO   9   9.580   6.212   3.032
   55    HD2  PRO   9           HD2      PRO   9   9.593   5.154   0.539
   56    HD3  PRO   9           HD1      PRO   9   9.927   4.185   1.989
   57    HA   PRO  10           HA       PRO  10   4.716   4.338   3.763
   58    HB2  PRO  10           HB2      PRO  10   2.216   3.369   3.332
   59    HB3  PRO  10           HB1      PRO  10   2.526   5.030   3.851
   60    HG2  PRO  10           HG2      PRO  10   1.948   3.979   1.108
   61    HG3  PRO  10           HG1      PRO  10   1.318   5.432   1.906
   62    HD2  PRO  10           HD2      PRO  10   3.328   5.521   0.093
   63    HD3  PRO  10           HD1      PRO  10   3.217   6.658   1.452
   64    H    PHE  11           H        PHE  11   5.180   2.276   4.315
   65    HA   PHE  11           HA       PHE  11   5.995   0.423   2.372
   66    HB2  PHE  11           HB2      PHE  11   5.255  -0.266   5.216
   67    HB3  PHE  11           HB1      PHE  11   6.424  -1.078   4.179
   68    HD1  PHE  11           HD2      PHE  11   7.939   1.187   3.096
   69    HD2  PHE  11           HD1      PHE  11   6.478   0.483   7.031
   70    HE1  PHE  11           HE2      PHE  11   9.733   2.601   4.012
   71    HE2  PHE  11           HE1      PHE  11   8.269   1.896   7.953
   72    HZ   PHE  11           HZ       PHE  11   9.900   2.957   6.442
   73    H    PHE  12           H        PHE  12   2.925   1.000   3.860
   74    HA   PHE  12           HA       PHE  12   1.791  -1.215   2.297
   75    HB2  PHE  12           HB2      PHE  12   2.010  -1.675   4.830
   76    HB3  PHE  12           HB1      PHE  12   0.707  -0.504   5.012
   77    HD1  PHE  12           HD1      PHE  12   1.556  -3.592   3.107
   78    HD2  PHE  12           HD2      PHE  12  -1.470  -1.244   4.965
   79    HE1  PHE  12           HE1      PHE  12  -0.090  -5.362   2.652
   80    HE2  PHE  12           HE2      PHE  12  -3.122  -3.012   4.513
   81    HZ   PHE  12           HZ       PHE  12  -2.433  -5.073   3.355
   82    H    THR  13           H        THR  13   0.158  -0.613   1.034
   83    HA   THR  13           HA       THR  13  -1.257   1.894   1.672
   84    HB   THR  13           HB       THR  13  -0.457   0.906  -1.073
   85    HG1  THR  13           HG1      THR  13   1.268   2.038  -0.609
   86   HG21  THR  13          HG21      THR  13  -2.252   3.121  -0.154
   87   HG22  THR  13          HG22      THR  13  -2.488   1.960  -1.461
   88   HG23  THR  13          HG23      THR  13  -1.339   3.283  -1.654
   89    H    CYS  14           H        CYS  14  -3.454   1.965   1.279
   90    HA   CYS  14           HA       CYS  14  -4.703  -0.589   0.500
   91    HB2  CYS  14           HB2      CYS  14  -5.495   1.375   2.647
   92    HB3  CYS  14           HB1      CYS  14  -6.613   0.171   2.015
   93    H    THR  15           H        THR  15  -7.016  -0.289  -0.235
   94    HA   THR  15           HA       THR  15  -7.280   2.198  -1.797
   95    HB   THR  15           HB       THR  15  -8.365   0.896  -3.585
   96    HG1  THR  15           HG1      THR  15  -9.035  -1.029  -3.023
   97   HG21  THR  15          HG21      THR  15  -5.835   1.322  -3.443
   98   HG22  THR  15          HG22      THR  15  -6.397   0.088  -4.571
   99   HG23  THR  15          HG23      THR  15  -5.706  -0.384  -3.019
  100    HA   PRO  16           HA       PRO  16 -11.291   2.679  -0.075
  101    HB2  PRO  16           HB2      PRO  16 -12.582   3.917  -2.117
  102    HB3  PRO  16           HB1      PRO  16 -11.361   4.721  -1.124
  103    HG2  PRO  16           HG2      PRO  16 -11.083   3.485  -3.835
  104    HG3  PRO  16           HG1      PRO  16 -10.429   5.019  -3.233
  105    HD2  PRO  16           HD2      PRO  16  -8.930   2.771  -3.423
  106    HD3  PRO  16           HD1      PRO  16  -8.666   3.992  -2.161
  107    H    ASP  17           H        ASP  17 -10.822   0.870  -2.977
  108    HA   ASP  17           HA       ASP  17 -13.505   0.036  -3.390
  109    HB2  ASP  17           HB2      ASP  17 -10.932  -1.331  -4.209
  110    HB3  ASP  17           HB1      ASP  17 -12.536  -1.680  -4.852
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -10.801  -1.934  -2.263
    2    HA2  GLY   1           HA2      GLY   1 -11.446  -2.148   0.365
    3    HA3  GLY   1           HA1      GLY   1 -12.500  -3.330  -0.396
    4    H    ASP   2           H        ASP   2  -9.086  -2.347  -0.735
    5    HA   ASP   2           HA       ASP   2  -8.103  -4.859   0.172
    6    HB2  ASP   2           HB2      ASP   2  -8.999  -5.319  -2.202
    7    HB3  ASP   2           HB1      ASP   2  -7.623  -4.369  -2.759
    8    H    CYS   3           H        CYS   3  -5.773  -4.962   0.174
    9    HA   CYS   3           HA       CYS   3  -4.473  -2.367  -0.324
   10    HB2  CYS   3           HB2      CYS   3  -3.823  -4.159   2.018
   11    HB3  CYS   3           HB1      CYS   3  -3.260  -2.516   1.731
   12    H    TYR   4           H        TYR   4  -2.000  -2.636  -0.221
   13    HA   TYR   4           HA       TYR   4  -1.077  -5.231  -1.165
   14    HB2  TYR   4           HB2      TYR   4   0.066  -4.096  -3.131
   15    HB3  TYR   4           HB1      TYR   4  -1.679  -4.293  -3.259
   16    HD1  TYR   4           HD1      TYR   4  -3.167  -2.326  -2.923
   17    HD2  TYR   4           HD2      TYR   4   1.067  -1.936  -3.102
   18    HE1  TYR   4           HE1      TYR   4  -3.413   0.086  -3.338
   19    HE2  TYR   4           HE2      TYR   4   0.832   0.477  -3.516
   20    HH   TYR   4           HH       TYR   4  -2.346   1.971  -3.931
   21    H    TRP   5           H        TRP   5   1.225  -5.447  -1.159
   22    HA   TRP   5           HA       TRP   5   2.471  -3.774   0.861
   23    HB2  TRP   5           HB2      TRP   5   2.888  -6.043   1.258
   24    HB3  TRP   5           HB1      TRP   5   3.180  -6.384  -0.445
   25    HD1  TRP   5           HD       TRP   5   5.644  -6.608  -1.102
   26    HE1  TRP   5           HE1      TRP   5   7.899  -5.939  -0.055
   27    HE3  TRP   5           HE3      TRP   5   3.919  -3.996   2.940
   28    HZ2  TRP   5           HZ2      TRP   5   8.823  -4.496   2.189
   29    HZ3  TRP   5           HZ3      TRP   5   5.553  -3.004   4.488
   30    HH2  TRP   5           HH       TRP   5   7.954  -3.250   4.118
   31    H    THR   6           H        THR   6   4.341  -2.574   0.582
   32    HA   THR   6           HA       THR   6   5.471  -2.355  -2.101
   33    HB   THR   6           HB       THR   6   5.341   0.104  -2.081
   34    HG1  THR   6           HG1      THR   6   4.459   1.165  -0.435
   35   HG21  THR   6          HG21      THR   6   2.524  -0.815  -1.706
   36   HG22  THR   6          HG22      THR   6   3.494  -1.514  -3.002
   37   HG23  THR   6          HG23      THR   6   3.210   0.225  -2.953
   38    H    SER   7           H        SER   7   7.540  -1.335  -2.161
   39    HA   SER   7           HA       SER   7   9.092  -1.832   0.201
   40    HB2  SER   7           HB2      SER   7  10.233  -2.378  -1.768
   41    HB3  SER   7           HB1      SER   7   9.725  -0.902  -2.587
   42    HG   SER   7           HG       SER   7  11.498  -0.986  -0.373
   43    H    THR   8           H        THR   8   8.777   1.082  -1.836
   44    HA   THR   8           HA       THR   8   9.880   2.809   0.124
   45    HB   THR   8           HB       THR   8   9.095   4.650  -1.315
   46    HG1  THR   8           HG1      THR   8   7.945   2.610  -2.938
   47   HG21  THR   8          HG21      THR   8  10.160   2.518  -3.138
   48   HG22  THR   8          HG22      THR   8  11.146   3.160  -1.823
   49   HG23  THR   8          HG23      THR   8  10.553   4.236  -3.088
   50    HA   PRO   9           HA       PRO   9   6.451   3.724   2.712
   51    HB2  PRO   9           HB2      PRO   9   6.966   6.311   3.352
   52    HB3  PRO   9           HB1      PRO   9   7.906   4.958   3.993
   53    HG2  PRO   9           HG2      PRO   9   8.546   6.802   1.723
   54    HG3  PRO   9           HG1      PRO   9   9.607   6.204   3.011
   55    HD2  PRO   9           HD2      PRO   9   9.606   5.148   0.517
   56    HD3  PRO   9           HD1      PRO   9   9.945   4.178   1.965
   57    HA   PRO  10           HA       PRO  10   4.743   4.336   3.764
   58    HB2  PRO  10           HB2      PRO  10   2.240   3.372   3.341
   59    HB3  PRO  10           HB1      PRO  10   2.555   5.032   3.860
   60    HG2  PRO  10           HG2      PRO  10   1.963   3.986   1.119
   61    HG3  PRO  10           HG1      PRO  10   1.338   5.438   1.921
   62    HD2  PRO  10           HD2      PRO  10   3.341   5.526   0.101
   63    HD3  PRO  10           HD1      PRO  10   3.237   6.661   1.462
   64    H    PHE  11           H        PHE  11   5.205   2.272   4.310
   65    HA   PHE  11           HA       PHE  11   6.010   0.421   2.360
   66    HB2  PHE  11           HB2      PHE  11   5.282  -0.271   5.206
   67    HB3  PHE  11           HB1      PHE  11   6.445  -1.083   4.163
   68    HD1  PHE  11           HD2      PHE  11   7.958   1.181   3.076
   69    HD2  PHE  11           HD1      PHE  11   6.514   0.475   7.018
   70    HE1  PHE  11           HE2      PHE  11   9.758   2.592   3.987
   71    HE2  PHE  11           HE1      PHE  11   8.310   1.884   7.933
   72    HZ   PHE  11           HZ       PHE  11   9.935   2.946   6.417
   73    H    PHE  12           H        PHE  12   2.948   0.997   3.868
   74    HA   PHE  12           HA       PHE  12   1.804  -1.212   2.305
   75    HB2  PHE  12           HB2      PHE  12   2.039  -1.649   4.854
   76    HB3  PHE  12           HB1      PHE  12   0.705  -0.512   5.012
   77    HD1  PHE  12           HD1      PHE  12   1.668  -3.616   3.199
   78    HD2  PHE  12           HD2      PHE  12  -1.465  -1.283   4.890
   79    HE1  PHE  12           HE1      PHE  12   0.073  -5.434   2.742
   80    HE2  PHE  12           HE2      PHE  12  -3.065  -3.098   4.436
   81    HZ   PHE  12           HZ       PHE  12  -2.297  -5.175   3.361
   82    H    THR  13           H        THR  13   0.170  -0.602   1.047
   83    HA   THR  13           HA       THR  13  -1.243   1.901   1.700
   84    HB   THR  13           HB       THR  13  -0.450   0.925  -1.050
   85    HG1  THR  13           HG1      THR  13   0.295   3.396   0.086
   86   HG21  THR  13          HG21      THR  13  -1.365   3.194  -1.732
   87   HG22  THR  13          HG22      THR  13  -2.139   3.249  -0.148
   88   HG23  THR  13          HG23      THR  13  -2.558   1.974  -1.290
   89    H    CYS  14           H        CYS  14  -3.440   1.975   1.315
   90    HA   CYS  14           HA       CYS  14  -4.692  -0.579   0.540
   91    HB2  CYS  14           HB2      CYS  14  -5.479   1.397   2.677
   92    HB3  CYS  14           HB1      CYS  14  -6.605   0.200   2.046
   93    H    THR  15           H        THR  15  -7.043  -0.243  -0.142
   94    HA   THR  15           HA       THR  15  -7.307   2.234  -1.713
   95    HB   THR  15           HB       THR  15  -8.341   0.939  -3.537
   96    HG1  THR  15           HG1      THR  15  -7.911  -1.147  -1.724
   97   HG21  THR  15          HG21      THR  15  -5.731   1.322  -3.146
   98   HG22  THR  15          HG22      THR  15  -6.353   0.438  -4.539
   99   HG23  THR  15          HG23      THR  15  -5.743  -0.441  -3.137
  100    HA   PRO  16           HA       PRO  16 -11.350   2.600  -0.037
  101    HB2  PRO  16           HB2      PRO  16 -12.641   3.845  -2.076
  102    HB3  PRO  16           HB1      PRO  16 -11.450   4.659  -1.054
  103    HG2  PRO  16           HG2      PRO  16 -11.110   3.474  -3.782
  104    HG3  PRO  16           HG1      PRO  16 -10.497   5.012  -3.144
  105    HD2  PRO  16           HD2      PRO  16  -8.948   2.800  -3.353
  106    HD3  PRO  16           HD1      PRO  16  -8.726   4.003  -2.066
  107    H    ASP  17           H        ASP  17 -10.872   0.956  -3.066
  108    HA   ASP  17           HA       ASP  17 -13.502   0.046  -3.504
  109    HB2  ASP  17           HB2      ASP  17 -11.935  -0.101  -5.301
  110    HB3  ASP  17           HB1      ASP  17 -10.821  -1.063  -4.335
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -10.821  -1.963  -2.221
    2    HA2  GLY   1           HA2      GLY   1 -11.409  -2.112   0.437
    3    HA3  GLY   1           HA1      GLY   1 -12.476  -3.305  -0.288
    4    H    ASP   2           H        ASP   2  -9.088  -2.348  -0.854
    5    HA   ASP   2           HA       ASP   2  -8.098  -4.869   0.101
    6    HB2  ASP   2           HB2      ASP   2  -8.984  -5.341  -2.243
    7    HB3  ASP   2           HB1      ASP   2  -7.688  -4.303  -2.834
    8    H    CYS   3           H        CYS   3  -5.774  -4.970   0.122
    9    HA   CYS   3           HA       CYS   3  -4.462  -2.376  -0.348
   10    HB2  CYS   3           HB2      CYS   3  -3.837  -4.184   1.989
   11    HB3  CYS   3           HB1      CYS   3  -3.266  -2.541   1.716
   12    H    TYR   4           H        TYR   4  -1.991  -2.655  -0.229
   13    HA   TYR   4           HA       TYR   4  -1.065  -5.249  -1.169
   14    HB2  TYR   4           HB2      TYR   4   0.082  -4.119  -3.135
   15    HB3  TYR   4           HB1      TYR   4  -1.662  -4.319  -3.268
   16    HD1  TYR   4           HD1      TYR   4  -3.155  -2.355  -2.945
   17    HD2  TYR   4           HD2      TYR   4   1.078  -1.956  -3.113
   18    HE1  TYR   4           HE1      TYR   4  -3.404   0.056  -3.369
   19    HE2  TYR   4           HE2      TYR   4   0.840   0.454  -3.536
   20    HH   TYR   4           HH       TYR   4  -1.710   1.888  -4.624
   21    H    TRP   5           H        TRP   5   1.238  -5.462  -1.156
   22    HA   TRP   5           HA       TRP   5   2.476  -3.783   0.864
   23    HB2  TRP   5           HB2      TRP   5   2.898  -6.050   1.262
   24    HB3  TRP   5           HB1      TRP   5   3.195  -6.391  -0.440
   25    HD1  TRP   5           HD       TRP   5   5.661  -6.610  -1.091
   26    HE1  TRP   5           HE1      TRP   5   7.911  -5.934  -0.040
   27    HE3  TRP   5           HE3      TRP   5   3.920  -3.999   2.946
   28    HZ2  TRP   5           HZ2      TRP   5   8.827  -4.486   2.204
   29    HZ3  TRP   5           HZ3      TRP   5   5.549  -3.001   4.496
   30    HH2  TRP   5           HH       TRP   5   7.952  -3.241   4.131
   31    H    THR   6           H        THR   6   4.341  -2.577   0.588
   32    HA   THR   6           HA       THR   6   5.477  -2.356  -2.093
   33    HB   THR   6           HB       THR   6   5.340   0.104  -2.073
   34    HG1  THR   6           HG1      THR   6   3.796  -0.355   0.276
   35   HG21  THR   6          HG21      THR   6   2.903   0.293  -2.510
   36   HG22  THR   6          HG22      THR   6   2.689  -1.322  -1.837
   37   HG23  THR   6          HG23      THR   6   3.643  -1.097  -3.303
   38    H    SER   7           H        SER   7   7.543  -1.331  -2.150
   39    HA   SER   7           HA       SER   7   9.092  -1.824   0.215
   40    HB2  SER   7           HB2      SER   7   9.959  -2.299  -2.059
   41    HB3  SER   7           HB1      SER   7   9.943  -0.571  -2.408
   42    HG   SER   7           HG       SER   7  11.943  -0.814  -1.695
   43    H    THR   8           H        THR   8   8.774   1.089  -1.823
   44    HA   THR   8           HA       THR   8   9.869   2.819   0.138
   45    HB   THR   8           HB       THR   8   9.084   4.658  -1.302
   46    HG1  THR   8           HG1      THR   8   7.242   4.128  -2.266
   47   HG21  THR   8          HG21      THR   8  11.183   3.490  -1.840
   48   HG22  THR   8          HG22      THR   8  10.374   4.082  -3.291
   49   HG23  THR   8          HG23      THR   8  10.288   2.372  -2.869
   50    HA   PRO   9           HA       PRO   9   6.432   3.727   2.717
   51    HB2  PRO   9           HB2      PRO   9   6.940   6.317   3.357
   52    HB3  PRO   9           HB1      PRO   9   7.881   4.965   4.001
   53    HG2  PRO   9           HG2      PRO   9   8.522   6.810   1.732
   54    HG3  PRO   9           HG1      PRO   9   9.582   6.214   3.023
   55    HD2  PRO   9           HD2      PRO   9   9.589   5.157   0.531
   56    HD3  PRO   9           HD1      PRO   9   9.927   4.188   1.979
   57    HA   PRO  10           HA       PRO  10   4.720   4.338   3.765
   58    HB2  PRO  10           HB2      PRO  10   2.220   3.368   3.338
   59    HB3  PRO  10           HB1      PRO  10   2.530   5.029   3.856
   60    HG2  PRO  10           HG2      PRO  10   1.947   3.980   1.115
   61    HG3  PRO  10           HG1      PRO  10   1.317   5.432   1.914
   62    HD2  PRO  10           HD2      PRO  10   3.324   5.522   0.098
   63    HD3  PRO  10           HD1      PRO  10   3.215   6.658   1.458
   64    H    PHE  11           H        PHE  11   5.186   2.276   4.314
   65    HA   PHE  11           HA       PHE  11   5.999   0.424   2.368
   66    HB2  PHE  11           HB2      PHE  11   5.264  -0.266   5.213
   67    HB3  PHE  11           HB1      PHE  11   6.431  -1.077   4.174
   68    HD1  PHE  11           HD2      PHE  11   7.942   1.190   3.088
   69    HD2  PHE  11           HD1      PHE  11   6.492   0.481   7.027
   70    HE1  PHE  11           HE2      PHE  11   9.737   2.603   4.001
   71    HE2  PHE  11           HE1      PHE  11   8.284   1.894   7.945
   72    HZ   PHE  11           HZ       PHE  11   9.910   2.958   6.431
   73    H    PHE  12           H        PHE  12   2.931   0.999   3.863
   74    HA   PHE  12           HA       PHE  12   1.796  -1.217   2.303
   75    HB2  PHE  12           HB2      PHE  12   2.020  -1.645   4.853
   76    HB3  PHE  12           HB1      PHE  12   0.685  -0.508   5.003
   77    HD1  PHE  12           HD1      PHE  12   1.654  -3.613   3.194
   78    HD2  PHE  12           HD2      PHE  12  -1.482  -1.285   4.884
   79    HE1  PHE  12           HE1      PHE  12   0.062  -5.433   2.736
   80    HE2  PHE  12           HE2      PHE  12  -3.080  -3.101   4.430
   81    HZ   PHE  12           HZ       PHE  12  -2.309  -5.178   3.355
   82    H    THR  13           H        THR  13   0.163  -0.615   1.038
   83    HA   THR  13           HA       THR  13  -1.250   1.893   1.672
   84    HB   THR  13           HB       THR  13  -0.455   0.896  -1.071
   85    HG1  THR  13           HG1      THR  13   1.155   2.269  -0.900
   86   HG21  THR  13          HG21      THR  13  -2.532   1.945  -1.380
   87   HG22  THR  13          HG22      THR  13  -1.352   3.210  -1.724
   88   HG23  THR  13          HG23      THR  13  -2.187   3.180  -0.171
   89    H    CYS  14           H        CYS  14  -3.447   1.965   1.282
   90    HA   CYS  14           HA       CYS  14  -4.700  -0.589   0.510
   91    HB2  CYS  14           HB2      CYS  14  -5.487   1.377   2.659
   92    HB3  CYS  14           HB1      CYS  14  -6.605   0.170   2.032
   93    H    THR  15           H        THR  15  -7.006  -0.296  -0.232
   94    HA   THR  15           HA       THR  15  -7.278   2.194  -1.786
   95    HB   THR  15           HB       THR  15  -8.361   0.893  -3.576
   96    HG1  THR  15           HG1      THR  15  -7.400  -1.494  -2.437
   97   HG21  THR  15          HG21      THR  15  -5.822   1.320  -3.413
   98   HG22  THR  15          HG22      THR  15  -6.393   0.116  -4.570
   99   HG23  THR  15          HG23      THR  15  -5.707  -0.398  -3.029
  100    HA   PRO  16           HA       PRO  16 -11.290   2.662  -0.061
  101    HB2  PRO  16           HB2      PRO  16 -12.585   3.901  -2.100
  102    HB3  PRO  16           HB1      PRO  16 -11.366   4.707  -1.106
  103    HG2  PRO  16           HG2      PRO  16 -11.085   3.476  -3.820
  104    HG3  PRO  16           HG1      PRO  16 -10.434   5.010  -3.215
  105    HD2  PRO  16           HD2      PRO  16  -8.931   2.766  -3.411
  106    HD3  PRO  16           HD1      PRO  16  -8.669   3.984  -2.146
  107    H    ASP  17           H        ASP  17 -10.847   0.905  -3.013
  108    HA   ASP  17           HA       ASP  17 -13.517   0.053  -3.410
  109    HB2  ASP  17           HB2      ASP  17 -10.957  -1.334  -4.234
  110    HB3  ASP  17           HB1      ASP  17 -12.562  -1.634  -4.897
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -10.849  -2.021  -2.194
    2    HA2  GLY   1           HA2      GLY   1 -11.380  -2.087   0.506
    3    HA3  GLY   1           HA1      GLY   1 -12.452  -3.289  -0.196
    4    H    ASP   2           H        ASP   2  -9.100  -2.361  -0.949
    5    HA   ASP   2           HA       ASP   2  -8.094  -4.880   0.050
    6    HB2  ASP   2           HB2      ASP   2  -8.384  -4.313  -2.871
    7    HB3  ASP   2           HB1      ASP   2  -6.973  -5.211  -2.316
    8    H    CYS   3           H        CYS   3  -5.777  -4.978   0.088
    9    HA   CYS   3           HA       CYS   3  -4.457  -2.386  -0.369
   10    HB2  CYS   3           HB2      CYS   3  -3.848  -4.198   1.968
   11    HB3  CYS   3           HB1      CYS   3  -3.273  -2.556   1.699
   12    H    TYR   4           H        TYR   4  -1.987  -2.672  -0.237
   13    HA   TYR   4           HA       TYR   4  -1.059  -5.266  -1.169
   14    HB2  TYR   4           HB2      TYR   4   0.093  -4.143  -3.137
   15    HB3  TYR   4           HB1      TYR   4  -1.650  -4.344  -3.274
   16    HD1  TYR   4           HD1      TYR   4  -3.145  -2.378  -2.962
   17    HD2  TYR   4           HD2      TYR   4   1.089  -1.981  -3.121
   18    HE1  TYR   4           HE1      TYR   4  -3.393   0.030  -3.396
   19    HE2  TYR   4           HE2      TYR   4   0.852   0.429  -3.555
   20    HH   TYR   4           HH       TYR   4  -1.195   1.907  -4.660
   21    H    TRP   5           H        TRP   5   1.247  -5.472  -1.158
   22    HA   TRP   5           HA       TRP   5   2.478  -3.791   0.864
   23    HB2  TRP   5           HB2      TRP   5   2.906  -6.058   1.262
   24    HB3  TRP   5           HB1      TRP   5   3.207  -6.397  -0.441
   25    HD1  TRP   5           HD       TRP   5   5.673  -6.609  -1.089
   26    HE1  TRP   5           HE1      TRP   5   7.921  -5.927  -0.035
   27    HE3  TRP   5           HE3      TRP   5   3.921  -4.005   2.946
   28    HZ2  TRP   5           HZ2      TRP   5   8.830  -4.478   2.210
   29    HZ3  TRP   5           HZ3      TRP   5   5.545  -3.003   4.499
   30    HH2  TRP   5           HH       TRP   5   7.948  -3.236   4.137
   31    H    THR   6           H        THR   6   4.339  -2.579   0.591
   32    HA   THR   6           HA       THR   6   5.478  -2.353  -2.090
   33    HB   THR   6           HB       THR   6   5.334   0.107  -2.066
   34    HG1  THR   6           HG1      THR   6   5.087   0.606   0.077
   35   HG21  THR   6          HG21      THR   6   3.629  -1.166  -3.268
   36   HG22  THR   6          HG22      THR   6   2.939   0.299  -2.568
   37   HG23  THR   6          HG23      THR   6   2.656  -1.264  -1.802
   38    H    SER   7           H        SER   7   7.541  -1.323  -2.143
   39    HA   SER   7           HA       SER   7   9.089  -1.815   0.221
   40    HB2  SER   7           HB2      SER   7  10.368  -2.331  -1.612
   41    HB3  SER   7           HB1      SER   7   9.659  -1.054  -2.599
   42    HG   SER   7           HG       SER   7  11.878  -0.688  -1.956
   43    H    THR   8           H        THR   8   8.765   1.099  -1.815
   44    HA   THR   8           HA       THR   8   9.855   2.829   0.149
   45    HB   THR   8           HB       THR   8   9.069   4.668  -1.291
   46    HG1  THR   8           HG1      THR   8   7.454   4.327  -2.606
   47   HG21  THR   8          HG21      THR   8  11.131   3.204  -1.792
   48   HG22  THR   8          HG22      THR   8  10.524   4.253  -3.075
   49   HG23  THR   8          HG23      THR   8  10.156   2.528  -3.096
   50    HA   PRO   9           HA       PRO   9   6.414   3.729   2.726
   51    HB2  PRO   9           HB2      PRO   9   6.916   6.319   3.367
   52    HB3  PRO   9           HB1      PRO   9   7.858   4.970   4.011
   53    HG2  PRO   9           HG2      PRO   9   8.500   6.817   1.743
   54    HG3  PRO   9           HG1      PRO   9   9.558   6.223   3.036
   55    HD2  PRO   9           HD2      PRO   9   9.571   5.167   0.543
   56    HD3  PRO   9           HD1      PRO   9   9.908   4.198   1.991
   57    HA   PRO  10           HA       PRO  10   4.699   4.337   3.771
   58    HB2  PRO  10           HB2      PRO  10   2.202   3.363   3.341
   59    HB3  PRO  10           HB1      PRO  10   2.509   5.024   3.861
   60    HG2  PRO  10           HG2      PRO  10   1.930   3.974   1.118
   61    HG3  PRO  10           HG1      PRO  10   1.297   5.425   1.917
   62    HD2  PRO  10           HD2      PRO  10   3.304   5.520   0.103
   63    HD3  PRO  10           HD1      PRO  10   3.192   6.655   1.464
   64    H    PHE  11           H        PHE  11   5.170   2.275   4.320
   65    HA   PHE  11           HA       PHE  11   5.986   0.426   2.375
   66    HB2  PHE  11           HB2      PHE  11   5.250  -0.267   5.219
   67    HB3  PHE  11           HB1      PHE  11   6.419  -1.075   4.181
   68    HD1  PHE  11           HD2      PHE  11   7.927   1.195   3.097
   69    HD2  PHE  11           HD1      PHE  11   6.476   0.480   7.035
   70    HE1  PHE  11           HE2      PHE  11   9.719   2.611   4.012
   71    HE2  PHE  11           HE1      PHE  11   8.265   1.895   7.956
   72    HZ   PHE  11           HZ       PHE  11   9.889   2.964   6.443
   73    H    PHE  12           H        PHE  12   2.915   0.998   3.859
   74    HA   PHE  12           HA       PHE  12   1.788  -1.224   2.302
   75    HB2  PHE  12           HB2      PHE  12   2.002  -1.650   4.850
   76    HB3  PHE  12           HB1      PHE  12   0.674  -0.504   4.999
   77    HD1  PHE  12           HD1      PHE  12   1.634  -3.644   3.254
   78    HD2  PHE  12           HD2      PHE  12  -1.509  -1.241   4.822
   79    HE1  PHE  12           HE1      PHE  12   0.030  -5.453   2.799
   80    HE2  PHE  12           HE2      PHE  12  -3.119  -3.046   4.369
   81    HZ   PHE  12           HZ       PHE  12  -2.350  -5.156   3.356
   82    H    THR  13           H        THR  13   0.166  -0.624   1.025
   83    HA   THR  13           HA       THR  13  -1.251   1.886   1.644
   84    HB   THR  13           HB       THR  13  -0.454   0.871  -1.091
   85    HG1  THR  13           HG1      THR  13   1.300   1.921  -0.450
   86   HG21  THR  13          HG21      THR  13  -2.583   1.927  -1.300
   87   HG22  THR  13          HG22      THR  13  -1.374   3.094  -1.837
   88   HG23  THR  13          HG23      THR  13  -2.101   3.248  -0.237
   89    H    CYS  14           H        CYS  14  -3.447   1.959   1.248
   90    HA   CYS  14           HA       CYS  14  -4.703  -0.596   0.482
   91    HB2  CYS  14           HB2      CYS  14  -5.485   1.364   2.636
   92    HB3  CYS  14           HB1      CYS  14  -6.604   0.158   2.009
   93    H    THR  15           H        THR  15  -6.980  -0.325  -0.296
   94    HA   THR  15           HA       THR  15  -7.253   2.168  -1.846
   95    HB   THR  15           HB       THR  15  -8.373   0.860  -3.610
   96    HG1  THR  15           HG1      THR  15  -7.434  -1.533  -2.481
   97   HG21  THR  15          HG21      THR  15  -6.431   0.198  -4.638
   98   HG22  THR  15          HG22      THR  15  -5.789  -0.561  -3.182
   99   HG23  THR  15          HG23      THR  15  -5.768   1.195  -3.344
  100    HA   PRO  16           HA       PRO  16 -11.241   2.719  -0.089
  101    HB2  PRO  16           HB2      PRO  16 -12.537   3.951  -2.131
  102    HB3  PRO  16           HB1      PRO  16 -11.295   4.750  -1.160
  103    HG2  PRO  16           HG2      PRO  16 -11.061   3.481  -3.860
  104    HG3  PRO  16           HG1      PRO  16 -10.381   5.013  -3.282
  105    HD2  PRO  16           HD2      PRO  16  -8.914   2.745  -3.463
  106    HD3  PRO  16           HD1      PRO  16  -8.620   3.974  -2.217
  107    H    ASP  17           H        ASP  17 -10.814   0.855  -2.957
  108    HA   ASP  17           HA       ASP  17 -13.517   0.054  -3.334
  109    HB2  ASP  17           HB2      ASP  17 -10.878  -1.068  -4.259
  110    HB3  ASP  17           HB1      ASP  17 -12.408  -1.856  -4.637
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -10.851  -2.045  -2.223
    2    HA2  GLY   1           HA2      GLY   1 -11.405  -2.118   0.479
    3    HA3  GLY   1           HA1      GLY   1 -12.466  -3.316  -0.245
    4    H    ASP   2           H        ASP   2  -9.099  -2.368  -0.913
    5    HA   ASP   2           HA       ASP   2  -8.093  -4.879   0.082
    6    HB2  ASP   2           HB2      ASP   2  -7.037  -5.465  -2.145
    7    HB3  ASP   2           HB1      ASP   2  -8.779  -5.706  -2.044
    8    H    CYS   3           H        CYS   3  -5.771  -4.973   0.105
    9    HA   CYS   3           HA       CYS   3  -4.465  -2.377  -0.366
   10    HB2  CYS   3           HB2      CYS   3  -3.837  -4.180   1.972
   11    HB3  CYS   3           HB1      CYS   3  -3.270  -2.536   1.697
   12    H    TYR   4           H        TYR   4  -1.993  -2.650  -0.246
   13    HA   TYR   4           HA       TYR   4  -1.063  -5.243  -1.186
   14    HB2  TYR   4           HB2      TYR   4   0.089  -4.106  -3.147
   15    HB3  TYR   4           HB1      TYR   4  -1.654  -4.308  -3.286
   16    HD1  TYR   4           HD1      TYR   4  -3.148  -2.344  -2.961
   17    HD2  TYR   4           HD2      TYR   4   1.084  -1.944  -3.115
   18    HE1  TYR   4           HE1      TYR   4  -3.398   0.066  -3.379
   19    HE2  TYR   4           HE2      TYR   4   0.847   0.468  -3.534
   20    HH   TYR   4           HH       TYR   4  -1.785   1.900  -4.595
   21    H    TRP   5           H        TRP   5   1.239  -5.457  -1.166
   22    HA   TRP   5           HA       TRP   5   2.472  -3.779   0.859
   23    HB2  TRP   5           HB2      TRP   5   2.889  -6.046   1.260
   24    HB3  TRP   5           HB1      TRP   5   3.192  -6.390  -0.441
   25    HD1  TRP   5           HD       TRP   5   5.659  -6.611  -1.084
   26    HE1  TRP   5           HE1      TRP   5   7.906  -5.938  -0.025
   27    HE3  TRP   5           HE3      TRP   5   3.908  -3.996   2.945
   28    HZ2  TRP   5           HZ2      TRP   5   8.817  -4.491   2.221
   29    HZ3  TRP   5           HZ3      TRP   5   5.533  -2.999   4.501
   30    HH2  TRP   5           HH       TRP   5   7.936  -3.243   4.145
   31    H    THR   6           H        THR   6   4.341  -2.576   0.589
   32    HA   THR   6           HA       THR   6   5.486  -2.358  -2.089
   33    HB   THR   6           HB       THR   6   5.352   0.101  -2.072
   34    HG1  THR   6           HG1      THR   6   5.061   0.738  -0.017
   35   HG21  THR   6          HG21      THR   6   3.629  -1.247  -3.233
   36   HG22  THR   6          HG22      THR   6   3.010   0.301  -2.657
   37   HG23  THR   6          HG23      THR   6   2.634  -1.181  -1.779
   38    H    SER   7           H        SER   7   7.553  -1.334  -2.138
   39    HA   SER   7           HA       SER   7   9.093  -1.828   0.232
   40    HB2  SER   7           HB2      SER   7  10.371  -2.352  -1.601
   41    HB3  SER   7           HB1      SER   7   9.676  -1.068  -2.589
   42    HG   SER   7           HG       SER   7  11.089   0.336  -1.797
   43    H    THR   8           H        THR   8   8.784   1.084  -1.810
   44    HA   THR   8           HA       THR   8   9.874   2.814   0.154
   45    HB   THR   8           HB       THR   8   9.095   4.652  -1.291
   46    HG1  THR   8           HG1      THR   8   7.742   4.285  -2.958
   47   HG21  THR   8          HG21      THR   8  10.073   2.857  -3.373
   48   HG22  THR   8          HG22      THR   8  11.005   2.757  -1.879
   49   HG23  THR   8          HG23      THR   8  10.810   4.308  -2.695
   50    HA   PRO   9           HA       PRO   9   6.430   3.728   2.722
   51    HB2  PRO   9           HB2      PRO   9   6.938   6.316   3.361
   52    HB3  PRO   9           HB1      PRO   9   7.876   4.965   4.009
   53    HG2  PRO   9           HG2      PRO   9   8.526   6.806   1.741
   54    HG3  PRO   9           HG1      PRO   9   9.580   6.211   3.036
   55    HD2  PRO   9           HD2      PRO   9   9.595   5.153   0.544
   56    HD3  PRO   9           HD1      PRO   9   9.927   4.184   1.995
   57    HA   PRO  10           HA       PRO  10   4.714   4.339   3.763
   58    HB2  PRO  10           HB2      PRO  10   2.215   3.372   3.328
   59    HB3  PRO  10           HB1      PRO  10   2.525   5.032   3.846
   60    HG2  PRO  10           HG2      PRO  10   1.950   3.981   1.103
   61    HG3  PRO  10           HG1      PRO  10   1.319   5.435   1.900
   62    HD2  PRO  10           HD2      PRO  10   3.331   5.523   0.090
   63    HD3  PRO  10           HD1      PRO  10   3.219   6.660   1.449
   64    H    PHE  11           H        PHE  11   5.178   2.277   4.315
   65    HA   PHE  11           HA       PHE  11   5.995   0.424   2.372
   66    HB2  PHE  11           HB2      PHE  11   5.251  -0.265   5.215
   67    HB3  PHE  11           HB1      PHE  11   6.420  -1.077   4.180
   68    HD1  PHE  11           HD2      PHE  11   7.938   1.189   3.099
   69    HD2  PHE  11           HD1      PHE  11   6.472   0.483   7.032
   70    HE1  PHE  11           HE2      PHE  11   9.730   2.601   4.017
   71    HE2  PHE  11           HE1      PHE  11   8.263   1.895   7.957
   72    HZ   PHE  11           HZ       PHE  11   9.895   2.956   6.448
   73    H    PHE  12           H        PHE  12   2.923   0.998   3.861
   74    HA   PHE  12           HA       PHE  12   1.791  -1.214   2.294
   75    HB2  PHE  12           HB2      PHE  12   2.009  -1.668   4.831
   76    HB3  PHE  12           HB1      PHE  12   0.697  -0.507   5.005
   77    HD1  PHE  12           HD1      PHE  12   1.595  -3.630   3.192
   78    HD2  PHE  12           HD2      PHE  12  -1.492  -1.226   4.867
   79    HE1  PHE  12           HE1      PHE  12  -0.037  -5.412   2.732
   80    HE2  PHE  12           HE2      PHE  12  -3.129  -3.005   4.411
   81    HZ   PHE  12           HZ       PHE  12  -2.402  -5.102   3.342
   82    H    THR  13           H        THR  13   0.156  -0.613   1.032
   83    HA   THR  13           HA       THR  13  -1.260   1.893   1.671
   84    HB   THR  13           HB       THR  13  -0.454   0.909  -1.074
   85    HG1  THR  13           HG1      THR  13   0.874   2.745  -1.051
   86   HG21  THR  13          HG21      THR  13  -1.327   3.390  -1.521
   87   HG22  THR  13          HG22      THR  13  -2.362   2.987  -0.150
   88   HG23  THR  13          HG23      THR  13  -2.392   1.988  -1.603
   89    H    CYS  14           H        CYS  14  -3.455   1.963   1.277
   90    HA   CYS  14           HA       CYS  14  -4.702  -0.591   0.496
   91    HB2  CYS  14           HB2      CYS  14  -5.495   1.375   2.639
   92    HB3  CYS  14           HB1      CYS  14  -6.619   0.179   2.003
   93    H    THR  15           H        THR  15  -7.031  -0.278  -0.221
   94    HA   THR  15           HA       THR  15  -7.283   2.199  -1.798
   95    HB   THR  15           HB       THR  15  -8.370   0.894  -3.584
   96    HG1  THR  15           HG1      THR  15  -8.819  -1.162  -3.305
   97   HG21  THR  15          HG21      THR  15  -5.939  -0.662  -3.484
   98   HG22  THR  15          HG22      THR  15  -5.643   1.005  -2.985
   99   HG23  THR  15          HG23      THR  15  -6.373   0.670  -4.555
  100    HA   PRO  16           HA       PRO  16 -11.296   2.690  -0.080
  101    HB2  PRO  16           HB2      PRO  16 -12.584   3.926  -2.127
  102    HB3  PRO  16           HB1      PRO  16 -11.362   4.731  -1.134
  103    HG2  PRO  16           HG2      PRO  16 -11.083   3.488  -3.843
  104    HG3  PRO  16           HG1      PRO  16 -10.428   5.022  -3.244
  105    HD2  PRO  16           HD2      PRO  16  -8.933   2.772  -3.428
  106    HD3  PRO  16           HD1      PRO  16  -8.667   3.994  -2.168
  107    H    ASP  17           H        ASP  17 -10.819   0.860  -2.964
  108    HA   ASP  17           HA       ASP  17 -13.506   0.033  -3.381
  109    HB2  ASP  17           HB2      ASP  17 -11.688  -0.092  -5.098
  110    HB3  ASP  17           HB1      ASP  17 -10.980  -1.421  -4.183
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -10.871  -2.052  -2.212
    2    HA2  GLY   1           HA2      GLY   1 -11.376  -2.089   0.508
    3    HA3  GLY   1           HA1      GLY   1 -12.450  -3.291  -0.192
    4    H    ASP   2           H        ASP   2  -9.098  -2.360  -0.945
    5    HA   ASP   2           HA       ASP   2  -8.092  -4.880   0.048
    6    HB2  ASP   2           HB2      ASP   2  -8.165  -4.253  -2.902
    7    HB3  ASP   2           HB1      ASP   2  -7.024  -5.402  -2.210
    8    H    CYS   3           H        CYS   3  -5.776  -4.977   0.089
    9    HA   CYS   3           HA       CYS   3  -4.455  -2.387  -0.371
   10    HB2  CYS   3           HB2      CYS   3  -3.846  -4.196   1.968
   11    HB3  CYS   3           HB1      CYS   3  -3.272  -2.553   1.699
   12    H    TYR   4           H        TYR   4  -1.985  -2.671  -0.237
   13    HA   TYR   4           HA       TYR   4  -1.057  -5.267  -1.167
   14    HB2  TYR   4           HB2      TYR   4   0.095  -4.147  -3.136
   15    HB3  TYR   4           HB1      TYR   4  -1.648  -4.349  -3.273
   16    HD1  TYR   4           HD1      TYR   4  -3.143  -2.382  -2.962
   17    HD2  TYR   4           HD2      TYR   4   1.091  -1.983  -3.121
   18    HE1  TYR   4           HE1      TYR   4  -3.391   0.026  -3.399
   19    HE2  TYR   4           HE2      TYR   4   0.854   0.425  -3.557
   20    HH   TYR   4           HH       TYR   4  -0.602   2.061  -4.118
   21    H    TRP   5           H        TRP   5   1.250  -5.474  -1.157
   22    HA   TRP   5           HA       TRP   5   2.480  -3.793   0.865
   23    HB2  TRP   5           HB2      TRP   5   2.909  -6.059   1.264
   24    HB3  TRP   5           HB1      TRP   5   3.208  -6.399  -0.438
   25    HD1  TRP   5           HD       TRP   5   5.674  -6.608  -1.089
   26    HE1  TRP   5           HE1      TRP   5   7.922  -5.927  -0.036
   27    HE3  TRP   5           HE3      TRP   5   3.924  -4.006   2.948
   28    HZ2  TRP   5           HZ2      TRP   5   8.833  -4.479   2.209
   29    HZ3  TRP   5           HZ3      TRP   5   5.549  -3.004   4.501
   30    HH2  TRP   5           HH       TRP   5   7.953  -3.237   4.137
   31    H    THR   6           H        THR   6   4.341  -2.580   0.592
   32    HA   THR   6           HA       THR   6   5.479  -2.354  -2.089
   33    HB   THR   6           HB       THR   6   5.335   0.105  -2.066
   34    HG1  THR   6           HG1      THR   6   4.533   1.145  -0.387
   35   HG21  THR   6          HG21      THR   6   2.722  -1.389  -1.870
   36   HG22  THR   6          HG22      THR   6   3.649  -1.024  -3.326
   37   HG23  THR   6          HG23      THR   6   2.856   0.276  -2.437
   38    H    SER   7           H        SER   7   7.542  -1.322  -2.143
   39    HA   SER   7           HA       SER   7   9.091  -1.815   0.222
   40    HB2  SER   7           HB2      SER   7   9.805  -2.150  -2.240
   41    HB3  SER   7           HB1      SER   7  10.118  -0.414  -2.238
   42    HG   SER   7           HG       SER   7  11.846  -2.077  -1.575
   43    H    THR   8           H        THR   8   8.767   1.099  -1.814
   44    HA   THR   8           HA       THR   8   9.856   2.830   0.151
   45    HB   THR   8           HB       THR   8   9.070   4.668  -1.289
   46    HG1  THR   8           HG1      THR   8   7.816   4.231  -3.082
   47   HG21  THR   8          HG21      THR   8  10.663   4.321  -2.879
   48   HG22  THR   8          HG22      THR   8  10.087   2.699  -3.259
   49   HG23  THR   8          HG23      THR   8  11.065   2.972  -1.818
   50    HA   PRO   9           HA       PRO   9   6.414   3.729   2.727
   51    HB2  PRO   9           HB2      PRO   9   6.915   6.318   3.369
   52    HB3  PRO   9           HB1      PRO   9   7.858   4.969   4.013
   53    HG2  PRO   9           HG2      PRO   9   8.499   6.816   1.746
   54    HG3  PRO   9           HG1      PRO   9   9.557   6.222   3.039
   55    HD2  PRO   9           HD2      PRO   9   9.571   5.168   0.545
   56    HD3  PRO   9           HD1      PRO   9   9.908   4.198   1.994
   57    HA   PRO  10           HA       PRO  10   4.699   4.335   3.773
   58    HB2  PRO  10           HB2      PRO  10   2.201   3.361   3.342
   59    HB3  PRO  10           HB1      PRO  10   2.508   5.022   3.862
   60    HG2  PRO  10           HG2      PRO  10   1.930   3.972   1.119
   61    HG3  PRO  10           HG1      PRO  10   1.296   5.423   1.918
   62    HD2  PRO  10           HD2      PRO  10   3.305   5.519   0.105
   63    HD3  PRO  10           HD1      PRO  10   3.191   6.653   1.465
   64    H    PHE  11           H        PHE  11   5.169   2.273   4.321
   65    HA   PHE  11           HA       PHE  11   5.987   0.425   2.376
   66    HB2  PHE  11           HB2      PHE  11   5.251  -0.268   5.219
   67    HB3  PHE  11           HB1      PHE  11   6.420  -1.076   4.180
   68    HD1  PHE  11           HD2      PHE  11   7.928   1.194   3.098
   69    HD2  PHE  11           HD1      PHE  11   6.474   0.481   7.035
   70    HE1  PHE  11           HE2      PHE  11   9.720   2.611   4.014
   71    HE2  PHE  11           HE1      PHE  11   8.262   1.897   7.956
   72    HZ   PHE  11           HZ       PHE  11   9.889   2.964   6.445
   73    H    PHE  12           H        PHE  12   2.915   1.001   3.853
   74    HA   PHE  12           HA       PHE  12   1.788  -1.222   2.299
   75    HB2  PHE  12           HB2      PHE  12   1.997  -1.672   4.832
   76    HB3  PHE  12           HB1      PHE  12   0.699  -0.497   5.008
   77    HD1  PHE  12           HD1      PHE  12   1.564  -3.643   3.225
   78    HD2  PHE  12           HD2      PHE  12  -1.504  -1.183   4.851
   79    HE1  PHE  12           HE1      PHE  12  -0.087  -5.411   2.775
   80    HE2  PHE  12           HE2      PHE  12  -3.160  -2.946   4.404
   81    HZ   PHE  12           HZ       PHE  12  -2.452  -5.064   3.366
   82    H    THR  13           H        THR  13   0.165  -0.624   1.021
   83    HA   THR  13           HA       THR  13  -1.251   1.887   1.640
   84    HB   THR  13           HB       THR  13  -0.454   0.871  -1.095
   85    HG1  THR  13           HG1      THR  13   0.301   3.324   0.105
   86   HG21  THR  13          HG21      THR  13  -2.323   3.003  -0.190
   87   HG22  THR  13          HG22      THR  13  -2.415   1.942  -1.596
   88   HG23  THR  13          HG23      THR  13  -1.319   3.323  -1.603
   89    H    CYS  14           H        CYS  14  -3.448   1.959   1.245
   90    HA   CYS  14           HA       CYS  14  -4.703  -0.596   0.480
   91    HB2  CYS  14           HB2      CYS  14  -5.490   1.368   2.629
   92    HB3  CYS  14           HB1      CYS  14  -6.603   0.156   2.006
   93    H    THR  15           H        THR  15  -6.986  -0.321  -0.291
   94    HA   THR  15           HA       THR  15  -7.256   2.169  -1.847
   95    HB   THR  15           HB       THR  15  -8.377   0.860  -3.610
   96    HG1  THR  15           HG1      THR  15  -9.133  -0.977  -2.785
   97   HG21  THR  15          HG21      THR  15  -5.814  -0.592  -3.221
   98   HG22  THR  15          HG22      THR  15  -5.752   1.169  -3.300
   99   HG23  THR  15          HG23      THR  15  -6.434   0.249  -4.641
  100    HA   PRO  16           HA       PRO  16 -11.243   2.722  -0.090
  101    HB2  PRO  16           HB2      PRO  16 -12.539   3.953  -2.133
  102    HB3  PRO  16           HB1      PRO  16 -11.298   4.753  -1.162
  103    HG2  PRO  16           HG2      PRO  16 -11.062   3.481  -3.863
  104    HG3  PRO  16           HG1      PRO  16 -10.383   5.013  -3.285
  105    HD2  PRO  16           HD2      PRO  16  -8.916   2.745  -3.464
  106    HD3  PRO  16           HD1      PRO  16  -8.622   3.975  -2.219
  107    H    ASP  17           H        ASP  17 -10.816   0.854  -2.954
  108    HA   ASP  17           HA       ASP  17 -13.521   0.054  -3.329
  109    HB2  ASP  17           HB2      ASP  17 -11.479  -0.107  -4.952
  110    HB3  ASP  17           HB1      ASP  17 -11.192  -1.649  -4.152
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -10.840  -1.990  -2.244
    2    HA2  GLY   1           HA2      GLY   1 -11.406  -2.120   0.435
    3    HA3  GLY   1           HA1      GLY   1 -12.476  -3.310  -0.295
    4    H    ASP   2           H        ASP   2  -9.086  -2.347  -0.839
    5    HA   ASP   2           HA       ASP   2  -8.095  -4.873   0.093
    6    HB2  ASP   2           HB2      ASP   2  -9.003  -5.231  -2.314
    7    HB3  ASP   2           HB1      ASP   2  -7.576  -4.330  -2.816
    8    H    CYS   3           H        CYS   3  -5.774  -4.971   0.120
    9    HA   CYS   3           HA       CYS   3  -4.460  -2.378  -0.349
   10    HB2  CYS   3           HB2      CYS   3  -3.837  -4.185   1.988
   11    HB3  CYS   3           HB1      CYS   3  -3.267  -2.542   1.715
   12    H    TYR   4           H        TYR   4  -1.989  -2.656  -0.228
   13    HA   TYR   4           HA       TYR   4  -1.063  -5.251  -1.166
   14    HB2  TYR   4           HB2      TYR   4   0.085  -4.123  -3.133
   15    HB3  TYR   4           HB1      TYR   4  -1.658  -4.323  -3.267
   16    HD1  TYR   4           HD1      TYR   4  -3.152  -2.358  -2.945
   17    HD2  TYR   4           HD2      TYR   4   1.081  -1.960  -3.110
   18    HE1  TYR   4           HE1      TYR   4  -3.400   0.052  -3.372
   19    HE2  TYR   4           HE2      TYR   4   0.844   0.451  -3.536
   20    HH   TYR   4           HH       TYR   4  -1.267   1.925  -4.646
   21    H    TRP   5           H        TRP   5   1.240  -5.463  -1.153
   22    HA   TRP   5           HA       TRP   5   2.477  -3.782   0.866
   23    HB2  TRP   5           HB2      TRP   5   2.899  -6.050   1.268
   24    HB3  TRP   5           HB1      TRP   5   3.197  -6.392  -0.435
   25    HD1  TRP   5           HD       TRP   5   5.663  -6.611  -1.085
   26    HE1  TRP   5           HE1      TRP   5   7.912  -5.934  -0.033
   27    HE3  TRP   5           HE3      TRP   5   3.920  -3.998   2.949
   28    HZ2  TRP   5           HZ2      TRP   5   8.827  -4.485   2.210
   29    HZ3  TRP   5           HZ3      TRP   5   5.549  -2.998   4.500
   30    HH2  TRP   5           HH       TRP   5   7.950  -3.238   4.136
   31    H    THR   6           H        THR   6   4.342  -2.576   0.591
   32    HA   THR   6           HA       THR   6   5.480  -2.358  -2.091
   33    HB   THR   6           HB       THR   6   5.343   0.102  -2.072
   34    HG1  THR   6           HG1      THR   6   5.073   0.699   0.010
   35   HG21  THR   6          HG21      THR   6   3.007   0.299  -2.664
   36   HG22  THR   6          HG22      THR   6   2.621  -1.170  -1.766
   37   HG23  THR   6          HG23      THR   6   3.614  -1.261  -3.220
   38    H    SER   7           H        SER   7   7.545  -1.333  -2.147
   39    HA   SER   7           HA       SER   7   9.093  -1.824   0.219
   40    HB2  SER   7           HB2      SER   7   9.756  -2.097  -2.309
   41    HB3  SER   7           HB1      SER   7  10.198  -0.395  -2.174
   42    HG   SER   7           HG       SER   7  11.858  -2.074  -1.670
   43    H    THR   8           H        THR   8   8.774   1.087  -1.823
   44    HA   THR   8           HA       THR   8   9.869   2.819   0.137
   45    HB   THR   8           HB       THR   8   9.085   4.656  -1.305
   46    HG1  THR   8           HG1      THR   8   7.838   4.210  -3.107
   47   HG21  THR   8          HG21      THR   8  10.086   3.428  -3.530
   48   HG22  THR   8          HG22      THR   8  10.698   2.392  -2.240
   49   HG23  THR   8          HG23      THR   8  11.062   4.117  -2.233
   50    HA   PRO   9           HA       PRO   9   6.432   3.729   2.715
   51    HB2  PRO   9           HB2      PRO   9   6.940   6.319   3.353
   52    HB3  PRO   9           HB1      PRO   9   7.880   4.969   3.998
   53    HG2  PRO   9           HG2      PRO   9   8.522   6.810   1.728
   54    HG3  PRO   9           HG1      PRO   9   9.580   6.216   3.020
   55    HD2  PRO   9           HD2      PRO   9   9.589   5.157   0.528
   56    HD3  PRO   9           HD1      PRO   9   9.926   4.190   1.978
   57    HA   PRO  10           HA       PRO  10   4.718   4.341   3.762
   58    HB2  PRO  10           HB2      PRO  10   2.219   3.370   3.334
   59    HB3  PRO  10           HB1      PRO  10   2.529   5.033   3.852
   60    HG2  PRO  10           HG2      PRO  10   1.947   3.980   1.111
   61    HG3  PRO  10           HG1      PRO  10   1.317   5.433   1.909
   62    HD2  PRO  10           HD2      PRO  10   3.323   5.522   0.093
   63    HD3  PRO  10           HD1      PRO  10   3.214   6.659   1.452
   64    H    PHE  11           H        PHE  11   5.185   2.279   4.314
   65    HA   PHE  11           HA       PHE  11   5.998   0.426   2.369
   66    HB2  PHE  11           HB2      PHE  11   5.263  -0.262   5.215
   67    HB3  PHE  11           HB1      PHE  11   6.430  -1.074   4.176
   68    HD1  PHE  11           HD2      PHE  11   7.941   1.192   3.090
   69    HD2  PHE  11           HD1      PHE  11   6.490   0.486   7.027
   70    HE1  PHE  11           HE2      PHE  11   9.737   2.606   4.001
   71    HE2  PHE  11           HE1      PHE  11   8.282   1.900   7.945
   72    HZ   PHE  11           HZ       PHE  11   9.907   2.963   6.432
   73    H    PHE  12           H        PHE  12   2.930   1.000   3.863
   74    HA   PHE  12           HA       PHE  12   1.796  -1.216   2.304
   75    HB2  PHE  12           HB2      PHE  12   2.016  -1.666   4.840
   76    HB3  PHE  12           HB1      PHE  12   0.708  -0.500   5.016
   77    HD1  PHE  12           HD1      PHE  12   1.590  -3.622   3.192
   78    HD2  PHE  12           HD2      PHE  12  -1.481  -1.219   4.898
   79    HE1  PHE  12           HE1      PHE  12  -0.048  -5.402   2.740
   80    HE2  PHE  12           HE2      PHE  12  -3.124  -2.995   4.450
   81    HZ   PHE  12           HZ       PHE  12  -2.409  -5.090   3.371
   82    H    THR  13           H        THR  13   0.164  -0.616   1.038
   83    HA   THR  13           HA       THR  13  -1.250   1.892   1.670
   84    HB   THR  13           HB       THR  13  -0.455   0.893  -1.072
   85    HG1  THR  13           HG1      THR  13   1.296   1.949  -0.443
   86   HG21  THR  13          HG21      THR  13  -2.534   1.942  -1.379
   87   HG22  THR  13          HG22      THR  13  -1.351   3.204  -1.729
   88   HG23  THR  13          HG23      THR  13  -2.184   3.181  -0.174
   89    H    CYS  14           H        CYS  14  -3.447   1.965   1.279
   90    HA   CYS  14           HA       CYS  14  -4.699  -0.589   0.508
   91    HB2  CYS  14           HB2      CYS  14  -5.485   1.374   2.657
   92    HB3  CYS  14           HB1      CYS  14  -6.604   0.168   2.030
   93    H    THR  15           H        THR  15  -7.007  -0.296  -0.230
   94    HA   THR  15           HA       THR  15  -7.280   2.195  -1.784
   95    HB   THR  15           HB       THR  15  -8.365   0.895  -3.574
   96    HG1  THR  15           HG1      THR  15  -7.971  -1.474  -3.410
   97   HG21  THR  15          HG21      THR  15  -5.757  -0.483  -3.125
   98   HG22  THR  15          HG22      THR  15  -5.775   1.272  -3.296
   99   HG23  THR  15          HG23      THR  15  -6.404   0.253  -4.591
  100    HA   PRO  16           HA       PRO  16 -11.291   2.664  -0.055
  101    HB2  PRO  16           HB2      PRO  16 -12.587   3.903  -2.093
  102    HB3  PRO  16           HB1      PRO  16 -11.367   4.709  -1.099
  103    HG2  PRO  16           HG2      PRO  16 -11.089   3.479  -3.815
  104    HG3  PRO  16           HG1      PRO  16 -10.437   5.013  -3.209
  105    HD2  PRO  16           HD2      PRO  16  -8.935   2.769  -3.407
  106    HD3  PRO  16           HD1      PRO  16  -8.671   3.987  -2.142
  107    H    ASP  17           H        ASP  17 -10.851   0.910  -3.012
  108    HA   ASP  17           HA       ASP  17 -13.523   0.058  -3.405
  109    HB2  ASP  17           HB2      ASP  17 -10.927  -1.250  -4.248
  110    HB3  ASP  17           HB1      ASP  17 -12.525  -1.688  -4.848
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -10.805  -1.957  -2.257
    2    HA2  GLY   1           HA2      GLY   1 -11.442  -2.133   0.382
    3    HA3  GLY   1           HA1      GLY   1 -12.496  -3.324  -0.366
    4    H    ASP   2           H        ASP   2  -9.090  -2.349  -0.785
    5    HA   ASP   2           HA       ASP   2  -8.105  -4.858   0.160
    6    HB2  ASP   2           HB2      ASP   2  -8.995  -5.318  -2.214
    7    HB3  ASP   2           HB1      ASP   2  -7.622  -4.365  -2.770
    8    H    CYS   3           H        CYS   3  -5.772  -4.962   0.162
    9    HA   CYS   3           HA       CYS   3  -4.474  -2.364  -0.326
   10    HB2  CYS   3           HB2      CYS   3  -3.824  -4.165   2.009
   11    HB3  CYS   3           HB1      CYS   3  -3.262  -2.520   1.728
   12    H    TYR   4           H        TYR   4  -2.001  -2.632  -0.226
   13    HA   TYR   4           HA       TYR   4  -1.077  -5.224  -1.178
   14    HB2  TYR   4           HB2      TYR   4   0.066  -4.081  -3.140
   15    HB3  TYR   4           HB1      TYR   4  -1.678  -4.281  -3.270
   16    HD1  TYR   4           HD1      TYR   4  -3.169  -2.317  -2.929
   17    HD2  TYR   4           HD2      TYR   4   1.063  -1.920  -3.104
   18    HE1  TYR   4           HE1      TYR   4  -3.418   0.096  -3.336
   19    HE2  TYR   4           HE2      TYR   4   0.826   0.494  -3.512
   20    HH   TYR   4           HH       TYR   4  -0.775   2.080  -4.297
   21    H    TRP   5           H        TRP   5   1.223  -5.444  -1.162
   22    HA   TRP   5           HA       TRP   5   2.467  -3.770   0.858
   23    HB2  TRP   5           HB2      TRP   5   2.882  -6.040   1.256
   24    HB3  TRP   5           HB1      TRP   5   3.177  -6.382  -0.447
   25    HD1  TRP   5           HD       TRP   5   5.641  -6.608  -1.102
   26    HE1  TRP   5           HE1      TRP   5   7.894  -5.942  -0.053
   27    HE3  TRP   5           HE3      TRP   5   3.914  -3.994   2.939
   28    HZ2  TRP   5           HZ2      TRP   5   8.818  -4.499   2.192
   29    HZ3  TRP   5           HZ3      TRP   5   5.547  -3.003   4.489
   30    HH2  TRP   5           HH       TRP   5   7.949  -3.252   4.121
   31    H    THR   6           H        THR   6   4.340  -2.573   0.581
   32    HA   THR   6           HA       THR   6   5.475  -2.356  -2.101
   33    HB   THR   6           HB       THR   6   5.345   0.104  -2.082
   34    HG1  THR   6           HG1      THR   6   4.914   0.960  -0.196
   35   HG21  THR   6          HG21      THR   6   2.707  -1.346  -1.864
   36   HG22  THR   6          HG22      THR   6   3.649  -1.054  -3.327
   37   HG23  THR   6          HG23      THR   6   2.887   0.294  -2.485
   38    H    SER   7           H        SER   7   7.544  -1.337  -2.158
   39    HA   SER   7           HA       SER   7   9.091  -1.834   0.206
   40    HB2  SER   7           HB2      SER   7   9.938  -2.300  -2.089
   41    HB3  SER   7           HB1      SER   7   9.964  -0.565  -2.401
   42    HG   SER   7           HG       SER   7  11.842  -0.548  -1.485
   43    H    THR   8           H        THR   8   8.781   1.079  -1.832
   44    HA   THR   8           HA       THR   8   9.882   2.807   0.129
   45    HB   THR   8           HB       THR   8   9.100   4.648  -1.311
   46    HG1  THR   8           HG1      THR   8   7.360   4.246  -2.441
   47   HG21  THR   8          HG21      THR   8  10.434   4.125  -3.244
   48   HG22  THR   8          HG22      THR   8  10.256   2.394  -2.953
   49   HG23  THR   8          HG23      THR   8  11.187   3.386  -1.832
   50    HA   PRO   9           HA       PRO   9   6.450   3.723   2.712
   51    HB2  PRO   9           HB2      PRO   9   6.965   6.311   3.352
   52    HB3  PRO   9           HB1      PRO   9   7.903   4.957   3.995
   53    HG2  PRO   9           HG2      PRO   9   8.547   6.800   1.725
   54    HG3  PRO   9           HG1      PRO   9   9.605   6.202   3.016
   55    HD2  PRO   9           HD2      PRO   9   9.608   5.146   0.522
   56    HD3  PRO   9           HD1      PRO   9   9.944   4.176   1.970
   57    HA   PRO  10           HA       PRO  10   4.739   4.337   3.761
   58    HB2  PRO  10           HB2      PRO  10   2.237   3.373   3.335
   59    HB3  PRO  10           HB1      PRO  10   2.552   5.033   3.855
   60    HG2  PRO  10           HG2      PRO  10   1.964   3.986   1.113
   61    HG3  PRO  10           HG1      PRO  10   1.338   5.439   1.914
   62    HD2  PRO  10           HD2      PRO  10   3.343   5.526   0.095
   63    HD3  PRO  10           HD1      PRO  10   3.238   6.661   1.456
   64    H    PHE  11           H        PHE  11   5.201   2.273   4.309
   65    HA   PHE  11           HA       PHE  11   6.008   0.421   2.362
   66    HB2  PHE  11           HB2      PHE  11   5.274  -0.270   5.206
   67    HB3  PHE  11           HB1      PHE  11   6.439  -1.082   4.165
   68    HD1  PHE  11           HD2      PHE  11   7.954   1.181   3.080
   69    HD2  PHE  11           HD1      PHE  11   6.505   0.475   7.020
   70    HE1  PHE  11           HE2      PHE  11   9.753   2.590   3.992
   71    HE2  PHE  11           HE1      PHE  11   8.301   1.884   7.937
   72    HZ   PHE  11           HZ       PHE  11   9.928   2.944   6.423
   73    H    PHE  12           H        PHE  12   2.945   0.994   3.868
   74    HA   PHE  12           HA       PHE  12   1.801  -1.211   2.300
   75    HB2  PHE  12           HB2      PHE  12   2.033  -1.680   4.832
   76    HB3  PHE  12           HB1      PHE  12   0.729  -0.512   5.023
   77    HD1  PHE  12           HD1      PHE  12   1.577  -3.588   3.099
   78    HD2  PHE  12           HD2      PHE  12  -1.447  -1.260   4.985
   79    HE1  PHE  12           HE1      PHE  12  -0.067  -5.361   2.643
   80    HE2  PHE  12           HE2      PHE  12  -3.096  -3.030   4.533
   81    HZ   PHE  12           HZ       PHE  12  -2.406  -5.084   3.362
   82    H    THR  13           H        THR  13   0.160  -0.602   1.049
   83    HA   THR  13           HA       THR  13  -1.252   1.900   1.708
   84    HB   THR  13           HB       THR  13  -0.457   0.933  -1.045
   85    HG1  THR  13           HG1      THR  13   1.089   2.417  -0.933
   86   HG21  THR  13          HG21      THR  13  -2.235   3.161  -0.111
   87   HG22  THR  13          HG22      THR  13  -2.507   1.983  -1.396
   88   HG23  THR  13          HG23      THR  13  -1.350   3.293  -1.630
   89    H    CYS  14           H        CYS  14  -3.449   1.973   1.325
   90    HA   CYS  14           HA       CYS  14  -4.699  -0.579   0.539
   91    HB2  CYS  14           HB2      CYS  14  -5.488   1.389   2.684
   92    HB3  CYS  14           HB1      CYS  14  -6.613   0.191   2.051
   93    H    THR  15           H        THR  15  -7.027  -0.265  -0.174
   94    HA   THR  15           HA       THR  15  -7.298   2.223  -1.730
   95    HB   THR  15           HB       THR  15  -8.341   0.928  -3.549
   96    HG1  THR  15           HG1      THR  15  -8.690  -1.168  -3.354
   97   HG21  THR  15          HG21      THR  15  -5.959  -0.599  -3.625
   98   HG22  THR  15          HG22      THR  15  -5.581   0.922  -2.816
   99   HG23  THR  15          HG23      THR  15  -6.295   0.934  -4.428
  100    HA   PRO  16           HA       PRO  16 -11.336   2.608  -0.047
  101    HB2  PRO  16           HB2      PRO  16 -12.626   3.854  -2.086
  102    HB3  PRO  16           HB1      PRO  16 -11.430   4.665  -1.067
  103    HG2  PRO  16           HG2      PRO  16 -11.101   3.473  -3.793
  104    HG3  PRO  16           HG1      PRO  16 -10.480   5.009  -3.161
  105    HD2  PRO  16           HD2      PRO  16  -8.941   2.791  -3.367
  106    HD3  PRO  16           HD1      PRO  16  -8.712   3.996  -2.084
  107    H    ASP  17           H        ASP  17 -10.858   0.936  -3.053
  108    HA   ASP  17           HA       ASP  17 -13.498   0.041  -3.490
  109    HB2  ASP  17           HB2      ASP  17 -11.035  -1.517  -4.257
  110    HB3  ASP  17           HB1      ASP  17 -12.585  -1.441  -5.091
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -10.784  -2.045  -2.221
    2    HA2  GLY   1           HA2      GLY   1 -11.502  -2.165   0.427
    3    HA3  GLY   1           HA1      GLY   1 -12.509  -3.370  -0.361
    4    H    ASP   2           H        ASP   2  -9.137  -2.411  -0.944
    5    HA   ASP   2           HA       ASP   2  -8.126  -4.870   0.167
    6    HB2  ASP   2           HB2      ASP   2  -8.234  -4.423  -2.807
    7    HB3  ASP   2           HB1      ASP   2  -6.992  -5.440  -2.082
    8    H    CYS   3           H        CYS   3  -5.778  -4.967   0.142
    9    HA   CYS   3           HA       CYS   3  -4.512  -2.355  -0.348
   10    HB2  CYS   3           HB2      CYS   3  -3.825  -4.151   1.979
   11    HB3  CYS   3           HB1      CYS   3  -3.289  -2.499   1.700
   12    H    TYR   4           H        TYR   4  -2.036  -2.593  -0.263
   13    HA   TYR   4           HA       TYR   4  -1.098  -5.172  -1.245
   14    HB2  TYR   4           HB2      TYR   4   0.049  -3.992  -3.180
   15    HB3  TYR   4           HB1      TYR   4  -1.695  -4.185  -3.319
   16    HD1  TYR   4           HD1      TYR   4  -3.183  -2.225  -2.939
   17    HD2  TYR   4           HD2      TYR   4   1.050  -1.834  -3.101
   18    HE1  TYR   4           HE1      TYR   4  -3.426   0.195  -3.300
   19    HE2  TYR   4           HE2      TYR   4   0.819   0.588  -3.461
   20    HH   TYR   4           HH       TYR   4  -1.314   2.094  -4.531
   21    H    TRP   5           H        TRP   5   1.196  -5.397  -1.210
   22    HA   TRP   5           HA       TRP   5   2.434  -3.737   0.830
   23    HB2  TRP   5           HB2      TRP   5   2.822  -6.011   1.236
   24    HB3  TRP   5           HB1      TRP   5   3.131  -6.358  -0.464
   25    HD1  TRP   5           HD       TRP   5   5.600  -6.610  -1.089
   26    HE1  TRP   5           HE1      TRP   5   7.848  -5.961  -0.017
   27    HE3  TRP   5           HE3      TRP   5   3.854  -3.968   2.924
   28    HZ2  TRP   5           HZ2      TRP   5   8.760  -4.521   2.233
   29    HZ3  TRP   5           HZ3      TRP   5   5.480  -2.988   4.489
   30    HH2  TRP   5           HH       TRP   5   7.882  -3.261   4.149
   31    H    THR   6           H        THR   6   4.320  -2.560   0.568
   32    HA   THR   6           HA       THR   6   5.483  -2.360  -2.103
   33    HB   THR   6           HB       THR   6   5.377   0.101  -2.094
   34    HG1  THR   6           HG1      THR   6   4.023   1.125  -0.560
   35   HG21  THR   6          HG21      THR   6   3.655  -1.189  -3.286
   36   HG22  THR   6          HG22      THR   6   3.011   0.326  -2.653
   37   HG23  THR   6          HG23      THR   6   2.659  -1.194  -1.831
   38    H    SER   7           H        SER   7   7.560  -1.349  -2.142
   39    HA   SER   7           HA       SER   7   9.080  -1.856   0.238
   40    HB2  SER   7           HB2      SER   7   9.740  -2.099  -2.316
   41    HB3  SER   7           HB1      SER   7  10.264  -0.428  -2.106
   42    HG   SER   7           HG       SER   7  11.451  -1.261  -0.220
   43    H    THR   8           H        THR   8   8.813   1.055  -1.810
   44    HA   THR   8           HA       THR   8   9.909   2.778   0.157
   45    HB   THR   8           HB       THR   8   9.154   4.621  -1.294
   46    HG1  THR   8           HG1      THR   8   8.156   2.785  -3.168
   47   HG21  THR   8          HG21      THR   8  11.172   3.982  -2.119
   48   HG22  THR   8          HG22      THR   8  10.190   3.498  -3.503
   49   HG23  THR   8          HG23      THR   8  10.683   2.300  -2.307
   50    HA   PRO   9           HA       PRO   9   6.462   3.727   2.708
   51    HB2  PRO   9           HB2      PRO   9   6.991   6.313   3.346
   52    HB3  PRO   9           HB1      PRO   9   7.913   4.953   3.999
   53    HG2  PRO   9           HG2      PRO   9   8.591   6.785   1.732
   54    HG3  PRO   9           HG1      PRO   9   9.634   6.183   3.033
   55    HD2  PRO   9           HD2      PRO   9   9.650   5.120   0.542
   56    HD3  PRO   9           HD1      PRO   9   9.967   4.151   1.996
   57    HA   PRO  10           HA       PRO  10   4.746   4.351   3.737
   58    HB2  PRO  10           HB2      PRO  10   2.241   3.403   3.288
   59    HB3  PRO  10           HB1      PRO  10   2.562   5.062   3.809
   60    HG2  PRO  10           HG2      PRO  10   1.994   4.016   1.062
   61    HG3  PRO  10           HG1      PRO  10   1.371   5.474   1.856
   62    HD2  PRO  10           HD2      PRO  10   3.394   5.547   0.058
   63    HD3  PRO  10           HD1      PRO  10   3.283   6.684   1.417
   64    H    PHE  11           H        PHE  11   5.189   2.284   4.291
   65    HA   PHE  11           HA       PHE  11   6.002   0.425   2.352
   66    HB2  PHE  11           HB2      PHE  11   5.238  -0.258   5.191
   67    HB3  PHE  11           HB1      PHE  11   6.407  -1.078   4.161
   68    HD1  PHE  11           HD2      PHE  11   7.949   1.173   3.091
   69    HD2  PHE  11           HD1      PHE  11   6.453   0.483   7.015
   70    HE1  PHE  11           HE2      PHE  11   9.747   2.572   4.018
   71    HE2  PHE  11           HE1      PHE  11   8.248   1.882   7.950
   72    HZ   PHE  11           HZ       PHE  11   9.899   2.928   6.451
   73    H    PHE  12           H        PHE  12   2.944   0.949   3.937
   74    HA   PHE  12           HA       PHE  12   1.790  -1.214   2.313
   75    HB2  PHE  12           HB2      PHE  12   2.036  -1.697   4.850
   76    HB3  PHE  12           HB1      PHE  12   0.706  -0.557   5.038
   77    HD1  PHE  12           HD1      PHE  12   1.678  -3.713   3.351
   78    HD2  PHE  12           HD2      PHE  12  -1.500  -1.239   4.728
   79    HE1  PHE  12           HE1      PHE  12   0.073  -5.515   2.873
   80    HE2  PHE  12           HE2      PHE  12  -3.110  -3.037   4.253
   81    HZ   PHE  12           HZ       PHE  12  -2.326  -5.179   3.323
   82    H    THR  13           H        THR  13   0.154  -0.583   1.069
   83    HA   THR  13           HA       THR  13  -1.271   1.898   1.776
   84    HB   THR  13           HB       THR  13  -0.456   1.005  -0.996
   85    HG1  THR  13           HG1      THR  13   1.280   2.068  -0.372
   86   HG21  THR  13          HG21      THR  13  -2.164   3.292  -0.036
   87   HG22  THR  13          HG22      THR  13  -2.569   2.049  -1.220
   88   HG23  THR  13          HG23      THR  13  -1.378   3.289  -1.615
   89    H    CYS  14           H        CYS  14  -3.467   1.970   1.376
   90    HA   CYS  14           HA       CYS  14  -4.696  -0.576   0.542
   91    HB2  CYS  14           HB2      CYS  14  -5.525   1.375   2.687
   92    HB3  CYS  14           HB1      CYS  14  -6.633   0.175   2.030
   93    H    THR  15           H        THR  15  -7.058  -0.225  -0.141
   94    HA   THR  15           HA       THR  15  -7.304   2.261  -1.698
   95    HB   THR  15           HB       THR  15  -8.311   0.984  -3.549
   96    HG1  THR  15           HG1      THR  15  -7.905  -1.118  -1.752
   97   HG21  THR  15          HG21      THR  15  -6.268   0.944  -4.436
   98   HG22  THR  15          HG22      THR  15  -5.884  -0.523  -3.534
   99   HG23  THR  15          HG23      THR  15  -5.578   1.059  -2.817
  100    HA   PRO  16           HA       PRO  16 -11.369   2.595  -0.068
  101    HB2  PRO  16           HB2      PRO  16 -12.638   3.858  -2.109
  102    HB3  PRO  16           HB1      PRO  16 -11.464   4.665  -1.063
  103    HG2  PRO  16           HG2      PRO  16 -11.086   3.512  -3.799
  104    HG3  PRO  16           HG1      PRO  16 -10.486   5.044  -3.138
  105    HD2  PRO  16           HD2      PRO  16  -8.928   2.840  -3.352
  106    HD3  PRO  16           HD1      PRO  16  -8.726   4.030  -2.049
  107    H    ASP  17           H        ASP  17 -10.767   0.856  -2.980
  108    HA   ASP  17           HA       ASP  17 -13.407  -0.013  -3.533
  109    HB2  ASP  17           HB2      ASP  17 -10.674  -0.995  -4.305
  110    HB3  ASP  17           HB1      ASP  17 -12.110  -1.925  -4.724
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -10.840  -1.983  -2.210
    2    HA2  GLY   1           HA2      GLY   1 -11.391  -2.118   0.468
    3    HA3  GLY   1           HA1      GLY   1 -12.463  -3.311  -0.252
    4    H    ASP   2           H        ASP   2  -9.089  -2.352  -0.881
    5    HA   ASP   2           HA       ASP   2  -8.089  -4.881   0.060
    6    HB2  ASP   2           HB2      ASP   2  -8.940  -5.445  -2.215
    7    HB3  ASP   2           HB1      ASP   2  -7.836  -4.247  -2.887
    8    H    CYS   3           H        CYS   3  -5.773  -4.975   0.097
    9    HA   CYS   3           HA       CYS   3  -4.456  -2.382  -0.361
   10    HB2  CYS   3           HB2      CYS   3  -3.840  -4.194   1.973
   11    HB3  CYS   3           HB1      CYS   3  -3.269  -2.551   1.706
   12    H    TYR   4           H        TYR   4  -1.986  -2.662  -0.235
   13    HA   TYR   4           HA       TYR   4  -1.056  -5.255  -1.173
   14    HB2  TYR   4           HB2      TYR   4   0.094  -4.125  -3.138
   15    HB3  TYR   4           HB1      TYR   4  -1.649  -4.329  -3.275
   16    HD1  TYR   4           HD1      TYR   4  -3.147  -2.366  -2.957
   17    HD2  TYR   4           HD2      TYR   4   1.086  -1.962  -3.116
   18    HE1  TYR   4           HE1      TYR   4  -3.399   0.043  -3.384
   19    HE2  TYR   4           HE2      TYR   4   0.845   0.449  -3.542
   20    HH   TYR   4           HH       TYR   4  -2.353   1.941  -3.900
   21    H    TRP   5           H        TRP   5   1.245  -5.469  -1.152
   22    HA   TRP   5           HA       TRP   5   2.477  -3.784   0.867
   23    HB2  TRP   5           HB2      TRP   5   2.900  -6.051   1.271
   24    HB3  TRP   5           HB1      TRP   5   3.201  -6.395  -0.430
   25    HD1  TRP   5           HD       TRP   5   5.668  -6.613  -1.075
   26    HE1  TRP   5           HE1      TRP   5   7.916  -5.935  -0.019
   27    HE3  TRP   5           HE3      TRP   5   3.917  -3.996   2.952
   28    HZ2  TRP   5           HZ2      TRP   5   8.825  -4.483   2.223
   29    HZ3  TRP   5           HZ3      TRP   5   5.542  -2.995   4.506
   30    HH2  TRP   5           HH       TRP   5   7.945  -3.235   4.147
   31    H    THR   6           H        THR   6   4.342  -2.577   0.594
   32    HA   THR   6           HA       THR   6   5.485  -2.361  -2.085
   33    HB   THR   6           HB       THR   6   5.347   0.098  -2.070
   34    HG1  THR   6           HG1      THR   6   3.924   1.073  -0.526
   35   HG21  THR   6          HG21      THR   6   3.554  -1.449  -3.080
   36   HG22  THR   6          HG22      THR   6   3.149   0.253  -2.857
   37   HG23  THR   6          HG23      THR   6   2.557  -0.951  -1.713
   38    H    SER   7           H        SER   7   7.550  -1.333  -2.138
   39    HA   SER   7           HA       SER   7   9.094  -1.822   0.230
   40    HB2  SER   7           HB2      SER   7  10.130  -2.363  -1.856
   41    HB3  SER   7           HB1      SER   7   9.811  -0.753  -2.505
   42    HG   SER   7           HG       SER   7  11.694  -1.548  -0.566
   43    H    THR   8           H        THR   8   8.779   1.087  -1.814
   44    HA   THR   8           HA       THR   8   9.868   2.821   0.148
   45    HB   THR   8           HB       THR   8   9.087   4.657  -1.298
   46    HG1  THR   8           HG1      THR   8   7.975   2.634  -2.964
   47   HG21  THR   8          HG21      THR   8  11.164   3.276  -1.794
   48   HG22  THR   8          HG22      THR   8  10.496   4.199  -3.141
   49   HG23  THR   8          HG23      THR   8  10.204   2.464  -3.030
   50    HA   PRO   9           HA       PRO   9   6.424   3.731   2.718
   51    HB2  PRO   9           HB2      PRO   9   6.929   6.322   3.354
   52    HB3  PRO   9           HB1      PRO   9   7.869   4.972   4.003
   53    HG2  PRO   9           HG2      PRO   9   8.515   6.813   1.731
   54    HG3  PRO   9           HG1      PRO   9   9.571   6.221   3.028
   55    HD2  PRO   9           HD2      PRO   9   9.586   5.160   0.537
   56    HD3  PRO   9           HD1      PRO   9   9.921   4.194   1.988
   57    HA   PRO  10           HA       PRO  10   4.709   4.343   3.759
   58    HB2  PRO  10           HB2      PRO  10   2.211   3.372   3.328
   59    HB3  PRO  10           HB1      PRO  10   2.519   5.034   3.844
   60    HG2  PRO  10           HG2      PRO  10   1.943   3.979   1.103
   61    HG3  PRO  10           HG1      PRO  10   1.310   5.432   1.897
   62    HD2  PRO  10           HD2      PRO  10   3.321   5.520   0.087
   63    HD3  PRO  10           HD1      PRO  10   3.208   6.658   1.445
   64    H    PHE  11           H        PHE  11   5.175   2.282   4.313
   65    HA   PHE  11           HA       PHE  11   5.993   0.428   2.372
   66    HB2  PHE  11           HB2      PHE  11   5.252  -0.258   5.217
   67    HB3  PHE  11           HB1      PHE  11   6.421  -1.070   4.181
   68    HD1  PHE  11           HD2      PHE  11   7.935   1.196   3.097
   69    HD2  PHE  11           HD1      PHE  11   6.473   0.493   7.032
   70    HE1  PHE  11           HE2      PHE  11   9.727   2.612   4.011
   71    HE2  PHE  11           HE1      PHE  11   8.263   1.909   7.953
   72    HZ   PHE  11           HZ       PHE  11   9.894   2.969   6.442
   73    H    PHE  12           H        PHE  12   2.922   1.003   3.858
   74    HA   PHE  12           HA       PHE  12   1.792  -1.216   2.299
   75    HB2  PHE  12           HB2      PHE  12   2.008  -1.661   4.838
   76    HB3  PHE  12           HB1      PHE  12   0.696  -0.500   5.006
   77    HD1  PHE  12           HD1      PHE  12   1.593  -3.618   3.183
   78    HD2  PHE  12           HD2      PHE  12  -1.490  -1.229   4.889
   79    HE1  PHE  12           HE1      PHE  12  -0.038  -5.404   2.729
   80    HE2  PHE  12           HE2      PHE  12  -3.125  -3.012   4.438
   81    HZ   PHE  12           HZ       PHE  12  -2.400  -5.103   3.358
   82    H    THR  13           H        THR  13   0.156  -0.621   1.034
   83    HA   THR  13           HA       THR  13  -1.258   1.889   1.660
   84    HB   THR  13           HB       THR  13  -0.459   0.886  -1.079
   85    HG1  THR  13           HG1      THR  13   1.285   1.965  -0.506
   86   HG21  THR  13          HG21      THR  13  -2.238   3.125  -0.176
   87   HG22  THR  13          HG22      THR  13  -2.504   1.936  -1.451
   88   HG23  THR  13          HG23      THR  13  -1.346   3.243  -1.692
   89    H    CYS  14           H        CYS  14  -3.455   1.960   1.268
   90    HA   CYS  14           HA       CYS  14  -4.706  -0.595   0.494
   91    HB2  CYS  14           HB2      CYS  14  -5.484   1.361   2.654
   92    HB3  CYS  14           HB1      CYS  14  -6.611   0.166   2.020
   93    H    THR  15           H        THR  15  -6.997  -0.315  -0.264
   94    HA   THR  15           HA       THR  15  -7.270   2.177  -1.816
   95    HB   THR  15           HB       THR  15  -8.378   0.874  -3.589
   96    HG1  THR  15           HG1      THR  15  -9.134  -0.930  -2.572
   97   HG21  THR  15          HG21      THR  15  -5.760  -0.491  -3.105
   98   HG22  THR  15          HG22      THR  15  -5.804   1.251  -3.380
   99   HG23  THR  15          HG23      THR  15  -6.428   0.148  -4.605
  100    HA   PRO  16           HA       PRO  16 -11.266   2.696  -0.067
  101    HB2  PRO  16           HB2      PRO  16 -12.563   3.933  -2.107
  102    HB3  PRO  16           HB1      PRO  16 -11.329   4.734  -1.127
  103    HG2  PRO  16           HG2      PRO  16 -11.079   3.481  -3.834
  104    HG3  PRO  16           HG1      PRO  16 -10.410   5.014  -3.244
  105    HD2  PRO  16           HD2      PRO  16  -8.929   2.754  -3.434
  106    HD3  PRO  16           HD1      PRO  16  -8.647   3.979  -2.180
  107    H    ASP  17           H        ASP  17 -10.841   0.885  -2.980
  108    HA   ASP  17           HA       ASP  17 -13.532   0.062  -3.356
  109    HB2  ASP  17           HB2      ASP  17 -11.958  -0.114  -5.180
  110    HB3  ASP  17           HB1      ASP  17 -10.923  -1.184  -4.240
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -10.837  -2.039  -2.213
    2    HA2  GLY   1           HA2      GLY   1 -11.410  -2.107   0.481
    3    HA3  GLY   1           HA1      GLY   1 -12.468  -3.309  -0.241
    4    H    ASP   2           H        ASP   2  -9.103  -2.371  -0.922
    5    HA   ASP   2           HA       ASP   2  -8.099  -4.873   0.103
    6    HB2  ASP   2           HB2      ASP   2  -8.945  -5.471  -2.171
    7    HB3  ASP   2           HB1      ASP   2  -7.819  -4.301  -2.855
    8    H    CYS   3           H        CYS   3  -5.774  -4.970   0.122
    9    HA   CYS   3           HA       CYS   3  -4.469  -2.375  -0.361
   10    HB2  CYS   3           HB2      CYS   3  -3.834  -4.174   1.981
   11    HB3  CYS   3           HB1      CYS   3  -3.268  -2.530   1.700
   12    H    TYR   4           H        TYR   4  -1.996  -2.648  -0.245
   13    HA   TYR   4           HA       TYR   4  -1.069  -5.242  -1.183
   14    HB2  TYR   4           HB2      TYR   4   0.081  -4.110  -3.147
   15    HB3  TYR   4           HB1      TYR   4  -1.663  -4.308  -3.282
   16    HD1  TYR   4           HD1      TYR   4  -3.154  -2.343  -2.955
   17    HD2  TYR   4           HD2      TYR   4   1.079  -1.947  -3.118
   18    HE1  TYR   4           HE1      TYR   4  -3.402   0.068  -3.376
   19    HE2  TYR   4           HE2      TYR   4   0.843   0.464  -3.538
   20    HH   TYR   4           HH       TYR   4  -0.996   1.987  -4.543
   21    H    TRP   5           H        TRP   5   1.234  -5.457  -1.167
   22    HA   TRP   5           HA       TRP   5   2.469  -3.781   0.856
   23    HB2  TRP   5           HB2      TRP   5   2.890  -6.050   1.252
   24    HB3  TRP   5           HB1      TRP   5   3.189  -6.389  -0.450
   25    HD1  TRP   5           HD       TRP   5   5.655  -6.607  -1.099
   26    HE1  TRP   5           HE1      TRP   5   7.905  -5.935  -0.044
   27    HE3  TRP   5           HE3      TRP   5   3.912  -4.002   2.939
   28    HZ2  TRP   5           HZ2      TRP   5   8.819  -4.492   2.203
   29    HZ3  TRP   5           HZ3      TRP   5   5.540  -3.008   4.493
   30    HH2  TRP   5           HH       TRP   5   7.942  -3.249   4.131
   31    H    THR   6           H        THR   6   4.338  -2.577   0.584
   32    HA   THR   6           HA       THR   6   5.477  -2.354  -2.096
   33    HB   THR   6           HB       THR   6   5.342   0.106  -2.072
   34    HG1  THR   6           HG1      THR   6   3.659   0.912  -0.498
   35   HG21  THR   6          HG21      THR   6   2.595  -1.098  -1.749
   36   HG22  THR   6          HG22      THR   6   3.595  -1.312  -3.186
   37   HG23  THR   6          HG23      THR   6   3.048   0.300  -2.723
   38    H    SER   7           H        SER   7   7.543  -1.325  -2.148
   39    HA   SER   7           HA       SER   7   9.088  -1.825   0.217
   40    HB2  SER   7           HB2      SER   7   9.857  -2.219  -2.177
   41    HB3  SER   7           HB1      SER   7  10.054  -0.472  -2.305
   42    HG   SER   7           HG       SER   7  11.850  -0.642  -1.243
   43    H    THR   8           H        THR   8   8.773   1.091  -1.816
   44    HA   THR   8           HA       THR   8   9.868   2.817   0.149
   45    HB   THR   8           HB       THR   8   9.085   4.659  -1.290
   46    HG1  THR   8           HG1      THR   8   7.787   4.260  -3.029
   47   HG21  THR   8          HG21      THR   8  11.128   3.121  -1.796
   48   HG22  THR   8          HG22      THR   8  10.580   4.268  -3.020
   49   HG23  THR   8          HG23      THR   8  10.142   2.564  -3.148
   50    HA   PRO   9           HA       PRO   9   6.429   3.723   2.726
   51    HB2  PRO   9           HB2      PRO   9   6.938   6.312   3.371
   52    HB3  PRO   9           HB1      PRO   9   7.877   4.959   4.013
   53    HG2  PRO   9           HG2      PRO   9   8.522   6.806   1.747
   54    HG3  PRO   9           HG1      PRO   9   9.579   6.209   3.039
   55    HD2  PRO   9           HD2      PRO   9   9.589   5.155   0.544
   56    HD3  PRO   9           HD1      PRO   9   9.925   4.184   1.992
   57    HA   PRO  10           HA       PRO  10   4.716   4.332   3.773
   58    HB2  PRO  10           HB2      PRO  10   2.216   3.364   3.341
   59    HB3  PRO  10           HB1      PRO  10   2.526   5.024   3.863
   60    HG2  PRO  10           HG2      PRO  10   1.946   3.979   1.118
   61    HG3  PRO  10           HG1      PRO  10   1.316   5.430   1.921
   62    HD2  PRO  10           HD2      PRO  10   3.324   5.524   0.106
   63    HD3  PRO  10           HD1      PRO  10   3.214   6.658   1.468
   64    H    PHE  11           H        PHE  11   5.181   2.268   4.318
   65    HA   PHE  11           HA       PHE  11   5.994   0.421   2.369
   66    HB2  PHE  11           HB2      PHE  11   5.258  -0.276   5.213
   67    HB3  PHE  11           HB1      PHE  11   6.426  -1.084   4.173
   68    HD1  PHE  11           HD2      PHE  11   7.939   1.183   3.094
   69    HD2  PHE  11           HD1      PHE  11   6.482   0.472   7.029
   70    HE1  PHE  11           HE2      PHE  11   9.734   2.596   4.011
   71    HE2  PHE  11           HE1      PHE  11   8.273   1.884   7.952
   72    HZ   PHE  11           HZ       PHE  11   9.903   2.947   6.443
   73    H    PHE  12           H        PHE  12   2.926   0.996   3.859
   74    HA   PHE  12           HA       PHE  12   1.791  -1.217   2.296
   75    HB2  PHE  12           HB2      PHE  12   2.016  -1.644   4.850
   76    HB3  PHE  12           HB1      PHE  12   0.671  -0.516   4.993
   77    HD1  PHE  12           HD1      PHE  12   1.689  -3.659   3.294
   78    HD2  PHE  12           HD2      PHE  12  -1.510  -1.265   4.760
   79    HE1  PHE  12           HE1      PHE  12   0.113  -5.489   2.830
   80    HE2  PHE  12           HE2      PHE  12  -3.092  -3.091   4.299
   81    HZ   PHE  12           HZ       PHE  12  -2.282  -5.208   3.334
   82    H    THR  13           H        THR  13   0.164  -0.609   1.028
   83    HA   THR  13           HA       THR  13  -1.253   1.895   1.669
   84    HB   THR  13           HB       THR  13  -0.452   0.909  -1.076
   85    HG1  THR  13           HG1      THR  13   1.295   1.974  -0.470
   86   HG21  THR  13          HG21      THR  13  -2.501   1.961  -1.434
   87   HG22  THR  13          HG22      THR  13  -1.338   3.263  -1.682
   88   HG23  THR  13          HG23      THR  13  -2.223   3.149  -0.161
   89    H    CYS  14           H        CYS  14  -3.449   1.967   1.275
   90    HA   CYS  14           HA       CYS  14  -4.699  -0.587   0.497
   91    HB2  CYS  14           HB2      CYS  14  -5.493   1.384   2.638
   92    HB3  CYS  14           HB1      CYS  14  -6.612   0.179   2.007
   93    H    THR  15           H        THR  15  -7.020  -0.278  -0.229
   94    HA   THR  15           HA       THR  15  -7.276   2.202  -1.802
   95    HB   THR  15           HB       THR  15  -8.357   0.897  -3.591
   96    HG1  THR  15           HG1      THR  15  -9.056  -1.005  -2.961
   97   HG21  THR  15          HG21      THR  15  -5.720   1.206  -3.198
   98   HG22  THR  15          HG22      THR  15  -6.391   0.380  -4.605
   99   HG23  THR  15          HG23      THR  15  -5.803  -0.555  -3.231
  100    HA   PRO  16           HA       PRO  16 -11.290   2.685  -0.088
  101    HB2  PRO  16           HB2      PRO  16 -12.577   3.920  -2.135
  102    HB3  PRO  16           HB1      PRO  16 -11.358   4.726  -1.141
  103    HG2  PRO  16           HG2      PRO  16 -11.075   3.485  -3.850
  104    HG3  PRO  16           HG1      PRO  16 -10.422   5.020  -3.248
  105    HD2  PRO  16           HD2      PRO  16  -8.923   2.773  -3.433
  106    HD3  PRO  16           HD1      PRO  16  -8.662   3.994  -2.172
  107    H    ASP  17           H        ASP  17 -10.807   0.857  -2.971
  108    HA   ASP  17           HA       ASP  17 -13.490   0.027  -3.398
  109    HB2  ASP  17           HB2      ASP  17 -10.839  -1.142  -4.247
  110    HB3  ASP  17           HB1      ASP  17 -12.388  -1.834  -4.723
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -10.845  -1.974  -2.244
    2    HA2  GLY   1           HA2      GLY   1 -11.396  -2.108   0.435
    3    HA3  GLY   1           HA1      GLY   1 -12.473  -3.295  -0.286
    4    H    ASP   2           H        ASP   2  -9.081  -2.336  -0.828
    5    HA   ASP   2           HA       ASP   2  -8.096  -4.870   0.084
    6    HB2  ASP   2           HB2      ASP   2  -7.309  -5.770  -1.962
    7    HB3  ASP   2           HB1      ASP   2  -8.985  -5.320  -2.260
    8    H    CYS   3           H        CYS   3  -5.776  -4.973   0.113
    9    HA   CYS   3           HA       CYS   3  -4.454  -2.383  -0.347
   10    HB2  CYS   3           HB2      CYS   3  -3.842  -4.194   1.990
   11    HB3  CYS   3           HB1      CYS   3  -3.267  -2.552   1.721
   12    H    TYR   4           H        TYR   4  -1.985  -2.669  -0.220
   13    HA   TYR   4           HA       TYR   4  -1.060  -5.266  -1.152
   14    HB2  TYR   4           HB2      TYR   4   0.087  -4.147  -3.124
   15    HB3  TYR   4           HB1      TYR   4  -1.657  -4.347  -3.256
   16    HD1  TYR   4           HD1      TYR   4  -3.148  -2.379  -2.943
   17    HD2  TYR   4           HD2      TYR   4   1.085  -1.985  -3.111
   18    HE1  TYR   4           HE1      TYR   4  -3.395   0.029  -3.380
   19    HE2  TYR   4           HE2      TYR   4   0.850   0.424  -3.548
   20    HH   TYR   4           HH       TYR   4  -2.196   1.870  -4.282
   21    H    TRP   5           H        TRP   5   1.247  -5.473  -1.146
   22    HA   TRP   5           HA       TRP   5   2.483  -3.790   0.871
   23    HB2  TRP   5           HB2      TRP   5   2.911  -6.056   1.269
   24    HB3  TRP   5           HB1      TRP   5   3.207  -6.397  -0.433
   25    HD1  TRP   5           HD       TRP   5   5.672  -6.608  -1.089
   26    HE1  TRP   5           HE1      TRP   5   7.923  -5.926  -0.043
   27    HE3  TRP   5           HE3      TRP   5   3.931  -4.003   2.950
   28    HZ2  TRP   5           HZ2      TRP   5   8.839  -4.477   2.199
   29    HZ3  TRP   5           HZ3      TRP   5   5.560  -3.001   4.498
   30    HH2  TRP   5           HH       TRP   5   7.963  -3.234   4.128
   31    H    THR   6           H        THR   6   4.342  -2.578   0.592
   32    HA   THR   6           HA       THR   6   5.475  -2.354  -2.091
   33    HB   THR   6           HB       THR   6   5.332   0.105  -2.070
   34    HG1  THR   6           HG1      THR   6   4.637   1.115  -0.345
   35   HG21  THR   6          HG21      THR   6   2.565  -1.031  -1.719
   36   HG22  THR   6          HG22      THR   6   3.564  -1.383  -3.130
   37   HG23  THR   6          HG23      THR   6   3.082   0.277  -2.782
   38    H    SER   7           H        SER   7   7.538  -1.328  -2.151
   39    HA   SER   7           HA       SER   7   9.091  -1.816   0.210
   40    HB2  SER   7           HB2      SER   7  10.065  -2.339  -1.940
   41    HB3  SER   7           HB1      SER   7   9.839  -0.680  -2.493
   42    HG   SER   7           HG       SER   7  12.000  -1.426  -1.599
   43    H    THR   8           H        THR   8   8.762   1.096  -1.828
   44    HA   THR   8           HA       THR   8   9.858   2.828   0.131
   45    HB   THR   8           HB       THR   8   9.067   4.665  -1.309
   46    HG1  THR   8           HG1      THR   8   7.246   4.162  -2.302
   47   HG21  THR   8          HG21      THR   8  10.455   4.199  -3.178
   48   HG22  THR   8          HG22      THR   8  10.193   2.461  -3.027
   49   HG23  THR   8          HG23      THR   8  11.149   3.317  -1.818
   50    HA   PRO   9           HA       PRO   9   6.423   3.731   2.716
   51    HB2  PRO   9           HB2      PRO   9   6.926   6.321   3.354
   52    HB3  PRO   9           HB1      PRO   9   7.871   4.973   3.996
   53    HG2  PRO   9           HG2      PRO   9   8.506   6.817   1.726
   54    HG3  PRO   9           HG1      PRO   9   9.568   6.224   3.016
   55    HD2  PRO   9           HD2      PRO   9   9.574   5.166   0.524
   56    HD3  PRO   9           HD1      PRO   9   9.915   4.199   1.973
   57    HA   PRO  10           HA       PRO  10   4.711   4.339   3.766
   58    HB2  PRO  10           HB2      PRO  10   2.212   3.365   3.343
   59    HB3  PRO  10           HB1      PRO  10   2.521   5.027   3.860
   60    HG2  PRO  10           HG2      PRO  10   1.934   3.974   1.121
   61    HG3  PRO  10           HG1      PRO  10   1.304   5.426   1.920
   62    HD2  PRO  10           HD2      PRO  10   3.306   5.519   0.100
   63    HD3  PRO  10           HD1      PRO  10   3.198   6.655   1.460
   64    H    PHE  11           H        PHE  11   5.183   2.279   4.315
   65    HA   PHE  11           HA       PHE  11   5.995   0.427   2.370
   66    HB2  PHE  11           HB2      PHE  11   5.266  -0.262   5.216
   67    HB3  PHE  11           HB1      PHE  11   6.431  -1.072   4.175
   68    HD1  PHE  11           HD2      PHE  11   7.938   1.197   3.086
   69    HD2  PHE  11           HD1      PHE  11   6.496   0.486   7.027
   70    HE1  PHE  11           HE2      PHE  11   9.732   2.613   3.995
   71    HE2  PHE  11           HE1      PHE  11   8.289   1.902   7.942
   72    HZ   PHE  11           HZ       PHE  11   9.910   2.967   6.426
   73    H    PHE  12           H        PHE  12   2.928   1.000   3.863
   74    HA   PHE  12           HA       PHE  12   1.796  -1.222   2.310
   75    HB2  PHE  12           HB2      PHE  12   2.015  -1.658   4.852
   76    HB3  PHE  12           HB1      PHE  12   0.700  -0.498   5.015
   77    HD1  PHE  12           HD1      PHE  12   1.600  -3.616   3.191
   78    HD2  PHE  12           HD2      PHE  12  -1.480  -1.238   4.915
   79    HE1  PHE  12           HE1      PHE  12  -0.027  -5.407   2.745
   80    HE2  PHE  12           HE2      PHE  12  -3.113  -3.025   4.473
   81    HZ   PHE  12           HZ       PHE  12  -2.387  -5.113   3.385
   82    H    THR  13           H        THR  13   0.175  -0.621   1.033
   83    HA   THR  13           HA       THR  13  -1.241   1.889   1.655
   84    HB   THR  13           HB       THR  13  -0.453   0.869  -1.081
   85    HG1  THR  13           HG1      THR  13   1.234   2.100  -0.786
   86   HG21  THR  13          HG21      THR  13  -2.102   3.243  -0.223
   87   HG22  THR  13          HG22      THR  13  -2.576   1.925  -1.296
   88   HG23  THR  13          HG23      THR  13  -1.370   3.100  -1.822
   89    H    CYS  14           H        CYS  14  -3.438   1.962   1.265
   90    HA   CYS  14           HA       CYS  14  -4.697  -0.593   0.505
   91    HB2  CYS  14           HB2      CYS  14  -5.471   1.370   2.661
   92    HB3  CYS  14           HB1      CYS  14  -6.594   0.166   2.038
   93    H    THR  15           H        THR  15  -6.980  -0.319  -0.261
   94    HA   THR  15           HA       THR  15  -7.265   2.179  -1.803
   95    HB   THR  15           HB       THR  15  -8.366   0.876  -3.581
   96    HG1  THR  15           HG1      THR  15  -8.247  -1.413  -3.475
   97   HG21  THR  15          HG21      THR  15  -5.761   1.230  -3.296
   98   HG22  THR  15          HG22      THR  15  -6.412   0.248  -4.609
   99   HG23  THR  15          HG23      THR  15  -5.772  -0.529  -3.162
  100    HA   PRO  16           HA       PRO  16 -11.263   2.673  -0.054
  101    HB2  PRO  16           HB2      PRO  16 -12.565   3.910  -2.090
  102    HB3  PRO  16           HB1      PRO  16 -11.336   4.714  -1.107
  103    HG2  PRO  16           HG2      PRO  16 -11.079   3.471  -3.819
  104    HG3  PRO  16           HG1      PRO  16 -10.416   5.005  -3.223
  105    HD2  PRO  16           HD2      PRO  16  -8.925   2.753  -3.419
  106    HD3  PRO  16           HD1      PRO  16  -8.649   3.975  -2.162
  107    H    ASP  17           H        ASP  17 -10.860   0.923  -3.024
  108    HA   ASP  17           HA       ASP  17 -13.534   0.075  -3.388
  109    HB2  ASP  17           HB2      ASP  17 -10.876  -0.978  -4.327
  110    HB3  ASP  17           HB1      ASP  17 -12.374  -1.834  -4.686