*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   08-APR-04   1T0G              
*TITLE     HYPOTHETICAL PROTEIN AT2G24940.1 FROM ARABIDOPSIS THALIANA            
*TITLE    2 HAS A CYTOCHROME B5 LIKE FOLD                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5 DOMAIN-CONTAINING PROTEIN;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: THALE CRESS;                                        
*SOURCE   4 GENE: AT2G24940.1;                                                   
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_CELL_LINE: WHEAT GERM CELL-FREE;                   
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PEU(N)HIS6                                
*KEYWDS    STRUCTURAL GENOMICS, HYPOTHETICAL PROTEIN, AT2G24940.1                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.SONG, D.A.VINAROV, E.M.TYLER, M.N.SHAHAN, R.C.TYLER,                
*AUTHOR   2 J.L.MARKLEY                                                          
*REVDAT   1   13-APR-04 1T0G    0                                                

101 TYR  HA    102 PRO  HB2     5.50            #peak    10
 38 PHE  HA    104 VAL  HN      5.50            #peak    58
 12 PHE  HA     16 GLN  HB2     5.50            #peak    59
 65 LEU  QD2    93 TRP  HN      5.50            #peak    62
 65 LEU  QD2    66 GLY  HN      5.50            #peak    63
 65 LEU  HN     65 LEU  QD2     5.15            #peak    64
 65 LEU  QD2    93 TRP  HZ2     5.50            #peak    65
 65 LEU  QD2    93 TRP  HD1     4.74            #peak    66
 65 LEU  QD2    93 TRP  HA      5.50            #peak    67
 65 LEU  QD2    90 LEU  HA      5.50            #peak    68
 65 LEU  HA     65 LEU  QD2     4.14            #peak    69
 65 LEU  QD2    93 TRP  HB3     5.50            #peak    70
 65 LEU  QD2    93 TRP  HB2     5.50            #peak    71
 65 LEU  QD2    94 GLU- HG3     5.50            #peak    72
 65 LEU  HB3    65 LEU  QD2     4.90            #peak    73
 65 LEU  QD2    90 LEU  QD1     5.50            #peak    75
 65 LEU  HG     65 LEU  QD2     4.37            #peak    76
 65 LEU  HB2    65 LEU  QD2     4.63            #peak    77
 61 ALA  QB     65 LEU  QD2     5.29            #peak    78
 65 LEU  QD1    65 LEU  QD2     4.08            #peak    79
 23 THR  HN     23 THR  QG2     4.22            #peak    80
 21 ASN  HD22   23 THR  QG2     5.13            #peak    81
 23 THR  QG2    24 ASP- HA      5.50            #peak    82
 23 THR  HA     23 THR  QG2     3.52            #peak    83
 74 ASP- HN     75 VAL  QG2     5.32            #peak    84
 75 VAL  HN     75 VAL  QG2     4.23            #peak    85
 75 VAL  QG2    76 SER  HN      5.38            #peak    86
 56 PHE  QD     75 VAL  QG2     4.90            #peak    87
 56 PHE  QE     75 VAL  QG2     5.50            #peak    88
 56 PHE  HA     75 VAL  QG2     5.50            #peak    89
 55 MET  HA     75 VAL  QG2     5.50            #peak    90
 61 ALA  HA     75 VAL  QG2     5.50            #peak    91
 75 VAL  HA     75 VAL  QG2     4.65            #peak    93
 74 ASP- HB3    75 VAL  QG2     5.50            #peak    94
 55 MET  HG2    75 VAL  QG2     4.92            #peak    96
 72 GLU- HB2    75 VAL  QG2     5.15            #peak    97
 59 LYS+ HB3    75 VAL  QG2     5.50            #peak    98
 64 ALA  QB     75 VAL  QG2     4.39            #peak    99
 61 ALA  QB     75 VAL  QG2     5.37            #peak   100
 56 PHE  HN     75 VAL  QG2     5.50            #peak   101
 59 LYS+ HB2    75 VAL  QG2     5.50            #peak   102
108 VAL  QG2   109 SER  HA      5.50            #peak   103
108 VAL  QG2   109 SER  HN      5.04            #peak   104
107 VAL  HA    108 VAL  QG2     5.50            #peak   105
 11 GLU- HA    108 VAL  QG2     5.50            #peak   106
108 VAL  HA    108 VAL  QG2     4.13            #peak   107
108 VAL  HB    108 VAL  QG2     3.99            #peak   109
 11 GLU- HG2   108 VAL  QG2     4.86            #peak   110
 11 GLU- HB2   108 VAL  QG2     4.42            #peak   111
106 ARG+ HG3   108 VAL  QG2     5.50            #peak   112
106 ARG+ HG2   108 VAL  QG2     5.20            #peak   113
 13 THR  QG2   108 VAL  QG2     5.25            #peak   114
103 VAL  QG1   104 VAL  HN      4.75            #peak   126
103 VAL  HN    103 VAL  QG1     5.45            #peak   127
 38 PHE  QD    103 VAL  QG1     5.50            #peak   129
 38 PHE  QE    103 VAL  QG1     4.37            #peak   130
 38 PHE  HA    103 VAL  QG1     5.50            #peak   131
 36 ARG+ HD3   103 VAL  QG1     5.41            #peak   133
103 VAL  HB    103 VAL  QG1     4.19            #peak   134
 36 ARG+ HB2   103 VAL  QG1     5.23            #peak   135
 36 ARG+ HG3   103 VAL  QG1     5.39            #peak   136
103 VAL  QG2   103 VAL  QG1     3.66            #peak   137
 23 THR  QG2    24 ASP- HN      5.34            #peak   138
 12 PHE  HN    108 VAL  QG2     5.13            #peak   139
108 VAL  HN    108 VAL  QG2     4.86            #peak   140
 59 LYS+ HG2    75 VAL  QG2     5.50            #peak   141
 14 ALA  QB     15 GLU- HA      5.50            #peak   143
 13 THR  HA     14 ALA  QB      5.50            #peak   144
 33 ILE  HA     33 ILE  HG13    5.40            #peak   149
 29 ILE  HA     30 TYR  HB2     5.50            #peak   150
 94 GLU- HA     94 GLU- HB3     5.45            #peak   151
 94 GLU- HA     97 PHE  HB3     5.43            #peak   152
 63 ARG+ HA     63 ARG+ HB2     4.77            #peak   153
 94 GLU- HA     94 GLU- HB2     5.13            #peak   154
 97 PHE  HA    100 LYS+ HN      5.50            #peak   155
 97 PHE  HN     97 PHE  HA      5.04            #peak   156
 45 SER  HA     45 SER  HB2     4.24            #peak   161
 97 PHE  HA     97 PHE  HB3     5.19            #peak   165
 14 ALA  QB     15 GLU- HB3     5.50            #peak   167
 14 ALA  QB     17 LEU  HB3     5.35            #peak   168
 14 ALA  QB    107 VAL  QG1     5.50            #peak   170
 44 LYS+ HA     44 LYS+ HG2     5.38            #peak   172
 44 LYS+ HA     44 LYS+ HD2     5.50            #peak   174
 85 LYS+ HN     85 LYS+ HA      4.63            #peak   175
 40 VAL  HA     40 VAL  QG1     4.40            #peak   176
 85 LYS+ HA     88 ASN  HB2     4.77            #peak   177
 44 LYS+ HA     48 GLY  HN      4.66            #peak   179
 44 LYS+ HN     44 LYS+ HA      4.58            #peak   181
 44 LYS+ HA     47 TYR  HN      5.22            #peak   182
 15 GLU- HN     15 GLU- HA      4.67            #peak   183
 96 LYS+ HA     98 GLU- HN      5.50            #peak   184
 98 GLU- HA     98 GLU- HB3     5.50            #peak   186
 16 GLN  HA     16 GLN  HG3     4.39            #peak   188
 86 GLU- HA     89 THR  HB      5.50            #peak   191
 85 LYS+ HA     86 GLU- HN      5.16            #peak   196
 98 GLU- HA     99 ALA  HN      5.38            #peak   197
 16 GLN  HA     16 GLN  HE21    5.50            #peak   200
 78 SER  HN     78 SER  HA      4.77            #peak   201
 16 GLN  HN     16 GLN  HA      4.87            #peak   202
 29 ILE  HG13   44 LYS+ HA      5.50            #peak   205
109 SER  HN    109 SER  HA      4.35            #peak   206
 96 LYS+ HA     96 LYS+ HG3     4.35            #peak   207
 94 GLU- HN     94 GLU- HA      4.93            #peak   212
 14 ALA  HN     14 ALA  QB      4.07            #peak   214
 14 ALA  QB     15 GLU- HN      4.46            #peak   215
 72 GLU- HA     75 VAL  QG2     4.02            #peak   217
 49 SER  HA     50 GLY  HN      4.17            #peak   219
 15 GLU- HA     15 GLU- HG2     4.38            #peak   220
 85 LYS+ HA     85 LYS+ HG3     4.78            #peak   221
 96 LYS+ HA     96 LYS+ HG2     4.25            #peak   223
 49 SER  HA     51 GLY  HN      5.41            #peak   224
 72 GLU- HN     72 GLU- HA      4.33            #peak   228
 84 GLU- HA     87 ILE  HN      5.19            #peak   229
 49 SER  HN     49 SER  HA      4.63            #peak   231
 96 LYS+ HN     96 LYS+ HA      4.71            #peak   232
 84 GLU- HN     84 GLU- HA      4.56            #peak   233
 49 SER  HB2    50 GLY  HN      5.29            #peak   237
 54 SER  HA     57 ALA  QB      5.08            #peak   239
 57 ALA  HA     57 ALA  QB      4.38            #peak   240
 21 ASN  HB2    57 ALA  QB      5.44            #peak   243
 48 GLY  HA2    49 SER  HB2     5.50            #peak   244
 11 GLU- HG2   108 VAL  QG1     5.21            #peak   246
106 ARG+ HG2   108 VAL  QG1     5.50            #peak   247
102 PRO  HG2   102 PRO  HA      5.50            #peak   250
108 VAL  HB    108 VAL  QG1     4.06            #peak   252
 11 GLU- HB2   108 VAL  QG1     4.44            #peak   253
 45 SER  HN     45 SER  HB3     5.50            #peak   255
108 VAL  HA    108 VAL  QG1     4.75            #peak   259
108 VAL  QG1   109 SER  HA      5.50            #peak   260
 11 GLU- HA    108 VAL  QG1     5.34            #peak   261
 57 ALA  QB     58 GLY  HA2     5.50            #peak   262
 12 PHE  HN    108 VAL  QG1     4.96            #peak   263
 59 LYS+ HG2    61 ALA  QB      5.50            #peak   264
 54 SER  HA     54 SER  HB2     4.59            #peak   267
 54 SER  HA     54 SER  HB3     4.58            #peak   271
 54 SER  HN     54 SER  HB2     4.79            #peak   277
 51 GLY  HN     54 SER  HB2     5.50            #peak   279
 49 SER  HB2    51 GLY  HN      5.50            #peak   281
 61 ALA  QB     64 ALA  QB      5.11            #peak   286
 56 PHE  HB3    61 ALA  QB      5.20            #peak   287
 61 ALA  HN     61 ALA  QB      4.98            #peak   288
 56 PHE  HA     61 ALA  QB      5.50            #peak   292
 60 ASP- HA     61 ALA  QB      5.50            #peak   293
 61 ALA  HA     61 ALA  QB      4.42            #peak   294
103 VAL  HA    104 VAL  HN      4.24            #peak   296
 96 LYS+ HN     99 ALA  QB      5.50            #peak   297
 64 ALA  QB     69 SER  HN      5.50            #peak   298
 99 ALA  QB    101 TYR  HN      5.50            #peak   300
 64 ALA  HN     64 ALA  QB      4.54            #peak   301
 64 ALA  QB     75 VAL  HA      4.99            #peak   304
 99 ALA  HA     99 ALA  QB      3.71            #peak   305
 96 LYS+ HA     99 ALA  QB      4.54            #peak   306
 37 VAL  HN    104 VAL  QG2     5.50            #peak   307
 38 PHE  HN    104 VAL  QG2     5.50            #peak   308
 64 ALA  QB     76 SER  HN      5.37            #peak   309
 97 PHE  HA     97 PHE  HB2     5.12            #peak   310
 97 PHE  HA    100 LYS+ HB3     5.34            #peak   311
 38 PHE  HA    104 VAL  QG2     5.50            #peak   312
 99 ALA  HN     99 ALA  QB      3.76            #peak   313
 99 ALA  QB    100 LYS+ HN      4.51            #peak   314
 64 ALA  QB     65 LEU  HN      4.97            #peak   315
 37 VAL  QG1   104 VAL  QG2     4.15            #peak   317
104 VAL  HA    104 VAL  QG2     4.72            #peak   318
104 VAL  QG2   105 GLY  HN      4.89            #peak   320
104 VAL  HN    104 VAL  QG2     4.19            #peak   321
 38 PHE  HA    103 VAL  HA      4.87            #peak   323
 99 ALA  QB    100 LYS+ HB3     5.25            #peak   326
 64 ALA  QB     65 LEU  HG      5.50            #peak   328
 38 PHE  HB2   103 VAL  HA      5.50            #peak   329
103 VAL  HA    104 VAL  QG2     5.49            #peak   330
103 VAL  HA    105 GLY  HN      5.29            #peak   331
103 VAL  HA    103 VAL  HB      5.39            #peak   336
103 VAL  HA    103 VAL  QG1     4.78            #peak   339
 39 ASP- HB2   104 VAL  QG2     5.12            #peak   340
104 VAL  HB    104 VAL  QG2     4.01            #peak   341
 64 ALA  QB     74 ASP- HB2     5.50            #peak   343
 37 VAL  HB    104 VAL  QG2     5.10            #peak   346
103 VAL  QG1   104 VAL  QG2     5.40            #peak   347
 99 ALA  HN     99 ALA  HA      4.67            #peak   352
 99 ALA  HA    100 LYS+ HN      5.50            #peak   353
 79 LEU  HA     90 LEU  QD2     5.06            #peak   358
 57 ALA  HA     58 GLY  HN      4.49            #peak   362
 77 PRO  HB3    77 PRO  HD3     4.93            #peak   363
 77 PRO  HG3    77 PRO  HD3     4.70            #peak   364
 39 ASP- HB3   102 PRO  HD3     5.50            #peak   365
 76 SER  HA     77 PRO  HD3     4.58            #peak   368
 76 SER  HA     77 PRO  HD2     4.57            #peak   369
 28 PRO  HD2    28 PRO  HD3     4.46            #peak   370
 77 PRO  HD2    77 PRO  HD3     4.28            #peak   371
 77 PRO  HG3    77 PRO  HD2     4.75            #peak   372
 28 PRO  HG2    28 PRO  HD3     4.76            #peak   373
 77 PRO  HA     77 PRO  HD2     5.50            #peak   380
 77 PRO  HD2    78 SER  HN      5.50            #peak   382
 64 ALA  QB     64 ALA  HA      4.37            #peak   387
 64 ALA  HA     67 LYS+ HG3     5.50            #peak   389
 64 ALA  HA     67 LYS+ HB2     5.50            #peak   390
  9 LEU  HA     10 GLU- HN      4.16            #peak   394
 59 LYS+ HA     59 LYS+ HG2     5.50            #peak   396
101 TYR  HA    102 PRO  HD3     4.69            #peak   397
 43 GLY  HN     43 GLY  HA1     4.82            #peak   398
 35 GLY  HN     35 GLY  HA2     4.77            #peak   400
 35 GLY  HN     35 GLY  HA1     4.85            #peak   404
 21 ASN  HB3    58 GLY  HA2     5.50            #peak   408
 35 GLY  HA1    35 GLY  HA2     4.34            #peak   411
 58 GLY  HN     58 GLY  HA1     5.44            #peak   415
 18 SER  HA     58 GLY  HA2     5.50            #peak   416
 18 SER  HA     58 GLY  HA1     5.50            #peak   417
 50 GLY  HN     50 GLY  HA1     4.67            #peak   418
 50 GLY  HN     50 GLY  HA2     4.90            #peak   420
 51 GLY  HA2    52 ASP- HN      4.72            #peak   421
 51 GLY  HA2    53 TYR  HN      5.50            #peak   422
 58 GLY  HA2    58 GLY  HA1     4.78            #peak   423
 81 GLY  HN     81 GLY  HA1     5.10            #peak   427
 17 LEU  QD1    58 GLY  HA1     5.50            #peak   430
 57 ALA  QB     58 GLY  HA1     5.50            #peak   431
 17 LEU  HG     58 GLY  HA1     5.50            #peak   432
 43 GLY  HA2    43 GLY  HA1     4.32            #peak   433
 27 LYS+ HA     28 PRO  HD3     4.63            #peak   435
 27 LYS+ HA     28 PRO  HD2     5.06            #peak   436
 27 LYS+ HG3    28 PRO  HD3     5.50            #peak   443
 27 LYS+ HG3    28 PRO  HD2     5.50            #peak   445
 27 LYS+ HB2    28 PRO  HD2     5.24            #peak   446
 27 LYS+ HG2    28 PRO  HD2     5.50            #peak   447
102 PRO  HG2   102 PRO  HD3     5.02            #peak   449
102 PRO  HD2   102 PRO  HD3     4.47            #peak   450
 27 LYS+ HB2    28 PRO  HD3     5.20            #peak   451
 66 GLY  HA2    90 LEU  HB2     5.50            #peak   456
105 GLY  HA2   105 GLY  HA1     4.99            #peak   457
 66 GLY  HN     66 GLY  HA1     5.21            #peak   461
 66 GLY  HA2    82 LEU  QD1     5.50            #peak   463
 66 GLY  HA1    90 LEU  HB3     5.50            #peak   464
 66 GLY  HA1    66 GLY  HA2     4.61            #peak   467
 66 GLY  HA2    90 LEU  HN      5.50            #peak   469
 66 GLY  HN     66 GLY  HA2     5.31            #peak   470
 65 LEU  HA     65 LEU  HB3     5.12            #peak   472
 64 ALA  QB     65 LEU  HA      5.50            #peak   473
 65 LEU  HA     90 LEU  QD1     5.50            #peak   474
 65 LEU  HA     65 LEU  HB2     5.04            #peak   475
 61 ALA  QB     65 LEU  HA      5.50            #peak   476
 20 TYR  HA     20 TYR  HB2     5.43            #peak   477
 65 LEU  HA     66 GLY  HN      5.43            #peak   479
 92 ASP- HA     96 LYS+ HG3     5.50            #peak   481
 67 LYS+ HN     67 LYS+ HA      5.09            #peak   482
100 LYS+ HA    100 LYS+ HD2     5.23            #peak   484
100 LYS+ HA    100 LYS+ HB3     4.27            #peak   485
100 LYS+ HA    100 LYS+ HB2     4.56            #peak   486
 67 LYS+ HA     67 LYS+ HB2     4.63            #peak   487
 67 LYS+ HA     67 LYS+ HG3     4.51            #peak   488
 90 LEU  HA     93 TRP  HN      5.47            #peak   490
 90 LEU  HA     92 ASP- HN      5.50            #peak   491
 78 SER  HA     79 LEU  HN      4.22            #peak   492
 73 GLU- HA     75 VAL  HN      5.29            #peak   493
 73 GLU- HN     73 GLU- HA      4.01            #peak   495
 86 GLU- HA     86 GLU- HB3     4.37            #peak   497
 90 LEU  HA     90 LEU  QD2     5.34            #peak   498
 65 LEU  HB2    90 LEU  HA      5.50            #peak   499
 86 GLU- HA     86 GLU- HB2     4.69            #peak   502
 25 GLU- HA     25 GLU- HB2     4.13            #peak   505
 65 LEU  HB3    90 LEU  HA      4.89            #peak   506
 90 LEU  HA     90 LEU  HB2     5.10            #peak   507
 47 TYR  HA     48 GLY  HN      5.50            #peak   508
 80 GLU- HN     80 GLU- HA      4.74            #peak   509
 17 LEU  HA     18 SER  HN      5.50            #peak   511
 55 MET  HA     55 MET  HG2     5.43            #peak   518
 73 GLU- HA     73 GLU- HB2     3.78            #peak   520
 80 GLU- HA     80 GLU- HB2     4.14            #peak   521
 80 GLU- HA     80 GLU- HG3     4.64            #peak   522
 47 TYR  HN     47 TYR  HA      5.32            #peak   523
 92 ASP- HA     92 ASP- HB3     5.13            #peak   524
 80 GLU- HA     81 GLY  HN      4.20            #peak   525
 10 GLU- HN     10 GLU- HA      4.99            #peak   532
 14 ALA  HN     14 ALA  HA      4.85            #peak   533
 14 ALA  HA     15 GLU- HN      5.05            #peak   534
 10 GLU- HA     11 GLU- HN      3.90            #peak   535
 91 ASN  HN     91 ASN  HA      5.50            #peak   536
 64 ALA  HA     74 ASP- HB3     5.50            #peak   545
 64 ALA  HA     74 ASP- HB2     5.48            #peak   546
 70 LYS+ HA     70 LYS+ HB2     5.50            #peak   547
 52 ASP- HA     52 ASP- HB3     4.53            #peak   551
 19 GLN  HA     19 GLN  HG2     4.75            #peak   552
 19 GLN  HA     19 GLN  HB2     4.07            #peak   553
 19 GLN  HB2    20 TYR  HA      5.50            #peak   555
100 LYS+ HN    100 LYS+ HA      4.76            #peak   557
 10 GLU- HA     10 GLU- HG2     4.97            #peak   559
 10 GLU- HA     10 GLU- HB2     4.70            #peak   560
 14 ALA  HA     17 LEU  HG      5.50            #peak   562
 14 ALA  HA    107 VAL  QG1     5.50            #peak   563
 14 ALA  HA     17 LEU  QD1     5.50            #peak   564
 14 ALA  QB     14 ALA  HA      3.93            #peak   565
 14 ALA  HA     17 LEU  HB2     5.50            #peak   566
 19 GLN  HN     19 GLN  HA      4.50            #peak   568
 88 ASN  HA     91 ASN  HN      5.50            #peak   570
 17 LEU  QD1    20 TYR  HN      5.50            #peak   574
 17 LEU  QD1    30 TYR  HA      5.50            #peak   575
 65 LEU  QD1    95 THR  HN      5.50            #peak   577
 65 LEU  QD1    66 GLY  HN      5.50            #peak   578
 65 LEU  HN     65 LEU  QD1     4.78            #peak   579
 17 LEU  QD2    59 LYS+ HN      5.50            #peak   581
 17 LEU  QD2    19 GLN  HN      5.50            #peak   582
 67 LYS+ HG3    68 MET  HN      5.50            #peak   583
100 LYS+ HB2   100 LYS+ HG2     4.41            #peak   584
 85 LYS+ HG3    85 LYS+ HE2     5.50            #peak   585
 67 LYS+ HG2    82 LEU  QD2     5.50            #peak   587
 96 LYS+ HG3    96 LYS+ HG2     3.89            #peak   589
 96 LYS+ HB2    96 LYS+ HG2     5.05            #peak   591
 65 LEU  HB2    65 LEU  QD1     4.32            #peak   592
 61 ALA  QB     65 LEU  QD1     4.70            #peak   593
 33 ILE  HG13   65 LEU  QD1     5.09            #peak   594
 82 LEU  QD1    87 ILE  HN      5.50            #peak   596
 27 LYS+ HB2    27 LYS+ HG3     4.71            #peak   597
 96 LYS+ HB3    96 LYS+ HG3     5.49            #peak   598
 65 LEU  QD1    90 LEU  HB2     5.50            #peak   601
 92 ASP- HB3    96 LYS+ HG2     5.50            #peak   602
 24 ASP- HB3    27 LYS+ HG3     5.50            #peak   605
 14 ALA  QB     17 LEU  QD1     5.33            #peak   607
 65 LEU  HB3    65 LEU  QD1     4.61            #peak   608
 65 LEU  QD1    90 LEU  QD1     4.78            #peak   609
 33 ILE  HB     65 LEU  QD1     5.50            #peak   610
 61 ALA  HA     65 LEU  QD1     5.50            #peak   611
 65 LEU  QD1    93 TRP  HB3     5.50            #peak   613
 65 LEU  HA     65 LEU  QD1     4.70            #peak   615
 67 LYS+ HB3    69 SER  HB2     5.50            #peak   616
 67 LYS+ HB2    69 SER  HB3     5.50            #peak   618
 67 LYS+ HB2    69 SER  HB2     5.28            #peak   619
 31 VAL  QG1    58 GLY  HN      5.47            #peak   620
 95 THR  HA     96 LYS+ HN      5.44            #peak   621
 89 THR  QG2    91 ASN  HN      5.50            #peak   622
 36 ARG+ HB2   103 VAL  QG2     5.38            #peak   623
 69 SER  HB2    70 LYS+ HG3     5.50            #peak   624
 95 THR  HN     95 THR  QG2     4.46            #peak   625
103 VAL  QG2   104 VAL  QG2     5.50            #peak   626
 89 THR  QG2    90 LEU  QD2     5.50            #peak   627
 65 LEU  HB2    89 THR  QG2     5.50            #peak   628
 82 LEU  QD2    87 ILE  HN      5.50            #peak   630
 90 LEU  HB3    90 LEU  QD1     5.20            #peak   631
 90 LEU  QD1    93 TRP  HB2     5.50            #peak   632
 79 LEU  QD2    90 LEU  QD1     4.03            #peak   633
 29 ILE  HG13   44 LYS+ HG2     5.50            #peak   634
 90 LEU  QD1    91 ASN  HA      5.50            #peak   635
 66 GLY  HA1    90 LEU  QD1     5.41            #peak   636
 90 LEU  QD1    94 GLU- HB3     5.50            #peak   637
 59 LYS+ HG2    75 VAL  QG1     4.90            #peak   638
 64 ALA  QB     75 VAL  QG1     4.81            #peak   639
 79 LEU  QD2    90 LEU  HB2     5.50            #peak   641
 66 GLY  HN     82 LEU  QD2     5.50            #peak   642
 79 LEU  HG     79 LEU  QD2     4.03            #peak   643
 79 LEU  QD2    90 LEU  HB3     5.50            #peak   644
 82 LEU  QD2    86 GLU- HB2     4.31            #peak   645
 67 LYS+ HG3    82 LEU  QD2     4.48            #peak   646
 82 LEU  QD1    86 GLU- HN      5.50            #peak   647
 37 VAL  QG1   105 GLY  HA2     5.50            #peak   648
 37 VAL  HA     37 VAL  QG1     4.95            #peak   649
 37 VAL  QG1   104 VAL  HB      5.50            #peak   650
 37 VAL  HB     37 VAL  QG1     4.56            #peak   653
 32 ALA  QB     37 VAL  QG1     5.22            #peak   654
 37 VAL  QG1   107 VAL  QG1     5.26            #peak   655
 37 VAL  QG2    37 VAL  QG1     3.73            #peak   656
 37 VAL  QG1    38 PHE  HN      5.16            #peak   660
 12 PHE  HN     37 VAL  QG1     5.50            #peak   661
 37 VAL  QG1   104 VAL  HN      5.50            #peak   662
 36 ARG+ HG2    38 PHE  QE      5.50            #peak   665
 28 PRO  HB3    28 PRO  HG2     4.94            #peak   667
102 PRO  HG3   104 VAL  QG1     5.50            #peak   669
 28 PRO  HB3    28 PRO  HG3     5.10            #peak   672
 65 LEU  QD1    93 TRP  HN      5.50            #peak   673
 62 SER  HN     65 LEU  HG      5.50            #peak   674
 65 LEU  QD1    94 GLU- HN      5.50            #peak   676
  9 LEU  HB3     9 LEU  HG      4.71            #peak   678
106 ARG+ HB3   106 ARG+ HG3     4.42            #peak   680
106 ARG+ HB3   106 ARG+ HG2     4.40            #peak   681
 79 LEU  HG     90 LEU  QD2     5.15            #peak   682
 25 GLU- HB2    25 GLU- HG3     3.56            #peak   684
 98 GLU- HB2    98 GLU- HG3     4.84            #peak   685
 98 GLU- HB2    98 GLU- HB3     4.06            #peak   686
 82 LEU  HA     86 GLU- HB2     5.50            #peak   687
 79 LEU  HB3    90 LEU  QD2     5.11            #peak   688
109 SER  HN    109 SER  HB3     4.27            #peak   692
 31 VAL  QG2    32 ALA  HN      4.79            #peak   697
 31 VAL  QG2    59 LYS+ HN      5.50            #peak   699
 26 SER  HB2    27 LYS+ HN      5.50            #peak   700
109 SER  HA    109 SER  HB3     3.55            #peak   702
 42 THR  HA     42 THR  HB      4.46            #peak   703
 87 ILE  HA     87 ILE  HG13    5.05            #peak   705
 87 ILE  HA     87 ILE  HG12    4.97            #peak   706
 87 ILE  HA     90 LEU  QD1     5.50            #peak   707
 87 ILE  HA     90 LEU  QD2     4.26            #peak   708
 82 LEU  QD2    87 ILE  HA      4.40            #peak   709
 87 ILE  HA     87 ILE  HB      5.28            #peak   710
 32 ALA  HA     37 VAL  HA      5.09            #peak   712
 18 SER  HA     18 SER  HB2     4.51            #peak   713
 87 ILE  HA     90 LEU  HB3     5.21            #peak   714
 77 PRO  HG2    78 SER  HB2     5.50            #peak   716
 40 VAL  QG2    47 TYR  HB3     5.46            #peak   717
 40 VAL  HB     40 VAL  QG2     4.60            #peak   718
 31 VAL  HB     40 VAL  QG2     5.13            #peak   719
 75 VAL  HA     75 VAL  QG1     4.22            #peak   721
 61 ALA  QB     75 VAL  HA      5.50            #peak   722
 17 LEU  HB3    18 SER  HB2     5.50            #peak   724
 75 VAL  HN     75 VAL  HA      5.45            #peak   725
 40 VAL  QG2    41 THR  HN      5.50            #peak   727
 40 VAL  HN     40 VAL  QG2     4.67            #peak   728
 75 VAL  HA     76 SER  HN      4.41            #peak   729
 87 ILE  HN     87 ILE  HA      5.02            #peak   731
 87 ILE  HA     90 LEU  HN      5.28            #peak   732
 18 SER  HB2    19 GLN  HN      5.50            #peak   733
 40 VAL  HA     40 VAL  QG2     5.21            #peak   735
 39 ASP- HA     40 VAL  QG2     5.50            #peak   736
 31 VAL  HN     40 VAL  QG2     5.50            #peak   738
 29 ILE  QD1    40 VAL  QG2     5.30            #peak   740
107 VAL  HB    107 VAL  QG2     4.03            #peak   743
106 ARG+ HA    107 VAL  QG2     5.50            #peak   745
 31 VAL  HA     31 VAL  QG2     4.71            #peak   746
 31 VAL  QG2    56 PHE  HB3     5.37            #peak   747
 35 GLY  HA2   107 VAL  QG2     5.50            #peak   748
 31 VAL  QG2    40 VAL  QG2     5.50            #peak   749
 31 VAL  HB     31 VAL  QG2     4.53            #peak   750
 31 VAL  QG2    37 VAL  QG2     5.50            #peak   751
107 VAL  QG2   109 SER  HA      5.50            #peak   753
 31 VAL  QG2    57 ALA  HA      5.50            #peak   754
106 ARG+ HD3   107 VAL  QG2     5.50            #peak   755
 31 VAL  QG1    40 VAL  QG2     3.93            #peak   756
107 VAL  HA    107 VAL  QG2     4.30            #peak   759
 26 SER  HN     26 SER  HB3     5.03            #peak   760
 26 SER  HA     26 SER  HB3     4.30            #peak   762
 26 SER  HA     26 SER  HB2     4.30            #peak   763
 26 SER  HB3    26 SER  HB2     3.77            #peak   764
 23 THR  HA     24 ASP- HN      5.40            #peak   765
107 VAL  HN    107 VAL  QG2     4.60            #peak   766
107 VAL  QG2   108 VAL  HN      4.13            #peak   767
 13 THR  QG2    14 ALA  HN      4.80            #peak   768
104 VAL  HN    104 VAL  QG1     4.72            #peak   769
104 VAL  QG1   105 GLY  HN      5.50            #peak   770
 83 THR  QG2    84 GLU- HN      4.31            #peak   777
 95 THR  QG2    98 GLU- HB2     5.50            #peak   781
 13 THR  QG2    16 GLN  HB2     5.50            #peak   783
 37 VAL  HB     37 VAL  QG2     4.21            #peak   786
 32 ALA  QB     37 VAL  QG2     4.16            #peak   787
 37 VAL  QG2   107 VAL  QG1     3.91            #peak   788
 29 ILE  QD1    41 THR  QG2     4.63            #peak   789
 29 ILE  HG13   41 THR  QG2     5.38            #peak   790
 83 THR  QG2    84 GLU- HB2     5.50            #peak   791
 37 VAL  QG2    38 PHE  HN      5.36            #peak   792
 37 VAL  QG2   104 VAL  HN      5.50            #peak   793
 36 ARG+ HN     37 VAL  QG2     5.50            #peak   794
 83 THR  HN     83 THR  QG2     4.10            #peak   795
 32 ALA  QB     61 ALA  HN      5.19            #peak   797
 83 THR  QG2    86 GLU- HG3     5.46            #peak   798
 41 THR  QG2    44 LYS+ HN      5.50            #peak   799
 12 PHE  HA     13 THR  QG2     5.33            #peak   800
102 PRO  HG2   104 VAL  QG1     5.26            #peak   801
104 VAL  HB    104 VAL  QG1     4.15            #peak   802
 75 VAL  HA     75 VAL  HB      5.50            #peak   806
 55 MET  HB3    55 MET  HG3     5.25            #peak   808
 87 ILE  HG12   87 ILE  HG13    4.10            #peak   809
 72 GLU- HA     75 VAL  HB      5.50            #peak   810
 75 VAL  HN     75 VAL  HB      4.53            #peak   812
 75 VAL  QG2    75 VAL  HB      3.85            #peak   813
 19 GLN  HB2    20 TYR  HB2     5.50            #peak   814
 19 GLN  HB2    19 GLN  HG3     4.34            #peak   815
 87 ILE  HB     87 ILE  HG12    5.18            #peak   818
 84 GLU- HA     87 ILE  HG12    5.50            #peak   821
 55 MET  HN     55 MET  HB3     5.50            #peak   823
 87 ILE  HN     87 ILE  HG13    5.23            #peak   824
 87 ILE  HN     87 ILE  HG12    5.31            #peak   827
 55 MET  HN     55 MET  HB2     5.50            #peak   828
 87 ILE  HG12   90 LEU  QD2     4.43            #peak   829
 86 GLU- HB3    87 ILE  HG13    5.50            #peak   832
 86 GLU- HB3    87 ILE  HG12    5.50            #peak   833
 55 MET  HA     55 MET  HB3     5.08            #peak   835
 55 MET  HB3    75 VAL  QG2     5.50            #peak   837
 87 ILE  HG13   90 LEU  QD2     4.60            #peak   838
 93 TRP  HA     96 LYS+ HD3     5.50            #peak   840
 96 LYS+ HA     96 LYS+ HD3     5.50            #peak   841
 59 LYS+ HA     59 LYS+ HD3     5.48            #peak   843
 70 LYS+ HA     70 LYS+ HD3     5.38            #peak   844
 95 THR  HB     96 LYS+ HD2     5.50            #peak   845
 96 LYS+ HA     96 LYS+ HD2     5.50            #peak   846
 93 TRP  HA     93 TRP  HB3     5.50            #peak   847
 85 LYS+ HD2    85 LYS+ HE2     4.30            #peak   848
100 LYS+ HD2   101 TYR  HN      5.50            #peak   851
 73 GLU- HN     73 GLU- HB2     4.45            #peak   852
 93 TRP  HB3    93 TRP  HB2     4.67            #peak   855
 16 GLN  HA     16 GLN  HB2     5.31            #peak   856
 68 MET  HA     68 MET  HB2     4.56            #peak   857
 90 LEU  HA     93 TRP  HB2     5.50            #peak   858
 96 LYS+ HN     96 LYS+ HD2     5.50            #peak   859
 65 LEU  HA     93 TRP  HB2     5.50            #peak   860
 93 TRP  HA     93 TRP  HB2     5.44            #peak   861
 33 ILE  HG12   65 LEU  HG      5.50            #peak   864
 36 ARG+ HA     36 ARG+ HG3     5.50            #peak   868
 22 GLY  HA2    29 ILE  HG12    5.50            #peak   869
 36 ARG+ HG3    36 ARG+ HD3     5.37            #peak   871
 28 PRO  HA     28 PRO  HG3     5.50            #peak   872
 35 GLY  HN     36 ARG+ HG3     5.50            #peak   874
101 TYR  HA    102 PRO  HG2     5.50            #peak   877
 29 ILE  HN     29 ILE  HG12    5.39            #peak   881
 90 LEU  HN     90 LEU  HG      5.50            #peak   883
 78 SER  HA     79 LEU  HG      5.50            #peak   884
 28 PRO  HG3    28 PRO  HG2     4.09            #peak   887
106 ARG+ HN    106 ARG+ HG2     5.41            #peak   893
 33 ILE  HN     33 ILE  HG13    5.50            #peak   895
 66 GLY  HA1    90 LEU  QD2     5.50            #peak   897
 90 LEU  QD2    91 ASN  HB3     5.50            #peak   898
 90 LEU  HB3    90 LEU  QD2     4.92            #peak   899
102 PRO  HD2   102 PRO  HG2     4.78            #peak   900
102 PRO  HD2   102 PRO  HG3     4.77            #peak   906
 90 LEU  QD1    90 LEU  QD2     4.21            #peak   907
 66 GLY  HN     90 LEU  QD2     5.50            #peak   910
 90 LEU  HG     90 LEU  QD2     4.31            #peak   911
 90 LEU  HB2    90 LEU  QD2     4.69            #peak   912
 79 LEU  QD2    90 LEU  QD2     4.34            #peak   913
 87 ILE  HA     90 LEU  HG      5.50            #peak   915
 90 LEU  HA     90 LEU  HG      5.50            #peak   916
 29 ILE  HA     29 ILE  HG13    5.50            #peak   917
 22 GLY  HA2    29 ILE  HG13    5.50            #peak   918
101 TYR  HA    102 PRO  HG3     5.50            #peak   922
102 PRO  HD3   102 PRO  HG3     5.08            #peak   923
 39 ASP- HB3   102 PRO  HG3     5.50            #peak   924
 79 LEU  HA     79 LEU  HG      5.50            #peak   925
 36 ARG+ HG2    36 ARG+ HG3     4.48            #peak   930
 29 ILE  HG13   29 ILE  HG12    4.43            #peak   933
 90 LEU  QD1    90 LEU  HG      5.13            #peak   934
 96 LYS+ HD3    96 LYS+ HE3     5.21            #peak   936
 94 GLU- HN     94 GLU- HB3     5.14            #peak   937
 91 ASN  HA     94 GLU- HB2     5.50            #peak   941
 86 GLU- HN     86 GLU- HB3     5.50            #peak   942
 91 ASN  HA     94 GLU- HB3     5.50            #peak   943
 86 GLU- HB3    86 GLU- HB2     5.07            #peak   945
 40 VAL  HB     41 THR  HN      5.50            #peak   952
 40 VAL  HN     40 VAL  HB      5.50            #peak   953
 98 GLU- HB3    99 ALA  HN      5.46            #peak   954
 59 LYS+ HD3    76 SER  HN      5.50            #peak   956
 98 GLU- HA     98 GLU- HB2     5.10            #peak   960
 55 MET  HG3    56 PHE  HN      5.50            #peak   967
 10 GLU- HB3    10 GLU- HG2     4.39            #peak   968
 10 GLU- HB2    10 GLU- HG3     4.86            #peak   969
 10 GLU- HB2    10 GLU- HG2     4.43            #peak   970
 10 GLU- HB3    11 GLU- HN      5.16            #peak   976
 10 GLU- HB3    10 GLU- HG3     4.94            #peak   978
 55 MET  HA     55 MET  HG3     5.27            #peak   979
 85 LYS+ HD2    86 GLU- HB3     5.50            #peak   981
 83 THR  QG2    86 GLU- HB3     5.50            #peak   983
 94 GLU- HB3    94 GLU- HG2     5.45            #peak   984
 94 GLU- HB2    94 GLU- HB3     4.83            #peak   985
 55 MET  HG2    55 MET  HG3     3.82            #peak   988
 11 GLU- HA     11 GLU- HB2     5.27            #peak   991
 10 GLU- HA     10 GLU- HB3     4.87            #peak   992
 55 MET  HG3    75 VAL  QG2     5.20            #peak   994
 98 GLU- HB3   100 LYS+ HN      5.50            #peak   995
 40 VAL  HA     40 VAL  HB      4.74            #peak   996
 83 THR  HA     84 GLU- HB2     5.50            #peak   998
 84 GLU- HA     84 GLU- HB2     4.43            #peak  1000
 96 LYS+ HG2    96 LYS+ HD2     4.78            #peak  1003
 70 LYS+ HG2    70 LYS+ HD3     3.49            #peak  1007
 70 LYS+ HG3    70 LYS+ HD3     4.01            #peak  1008
 16 GLN  HB2    16 GLN  HG3     4.37            #peak  1012
100 LYS+ HB2   100 LYS+ HD2     4.67            #peak  1016
 96 LYS+ HD2    96 LYS+ HD3     3.87            #peak  1017
 65 LEU  HB2    93 TRP  HB2     5.50            #peak  1022
 65 LEU  QD1    93 TRP  HB2     5.50            #peak  1023
 90 LEU  HA     93 TRP  HB3     5.50            #peak  1024
  8 HIS  HA      8 HIS  HB3     4.30            #peak  1025
 85 LYS+ HG3    85 LYS+ HD2     3.74            #peak  1026
 59 LYS+ HN     59 LYS+ HD3     5.50            #peak  1030
 96 LYS+ HN     96 LYS+ HD3     5.50            #peak  1034
 72 GLU- HN     72 GLU- HB2     4.28            #peak  1045
 84 GLU- HB2    85 LYS+ HN      5.05            #peak  1047
 82 LEU  QD2    83 THR  HN      5.10            #peak  1050
 75 VAL  HN     75 VAL  QG1     5.01            #peak  1052
 75 VAL  QG1    76 SER  HN      5.14            #peak  1053
 79 LEU  HN     79 LEU  QD2     5.05            #peak  1054
 75 VAL  QG1    76 SER  HB2     5.50            #peak  1055
 72 GLU- HA     75 VAL  QG1     5.50            #peak  1056
 56 PHE  HA     75 VAL  QG1     4.90            #peak  1057
 55 MET  HA     75 VAL  QG1     5.50            #peak  1058
 61 ALA  HA     75 VAL  QG1     4.53            #peak  1059
 65 LEU  HA     89 THR  QG2     5.50            #peak  1062
 66 GLY  HA1    89 THR  QG2     5.50            #peak  1063
103 VAL  HA    103 VAL  QG2     4.55            #peak  1064
 31 VAL  QG1    57 ALA  HA      4.62            #peak  1065
 31 VAL  QG1    56 PHE  HB3     5.21            #peak  1066
 69 SER  HA     69 SER  HB2     4.95            #peak  1069
 69 SER  HA     69 SER  HB3     5.50            #peak  1070
 69 SER  HB2    69 SER  HB3     4.46            #peak  1071
 95 THR  HN     95 THR  HA      4.61            #peak  1072
 31 VAL  HB     31 VAL  QG1     4.27            #peak  1073
107 VAL  HB    107 VAL  QG1     4.17            #peak  1077
103 VAL  HB    103 VAL  QG2     3.95            #peak  1078
 89 THR  HN     89 THR  HA      4.99            #peak  1079
 89 THR  HA     90 LEU  HN      5.50            #peak  1081
 95 THR  HA     98 GLU- HB3     5.07            #peak  1083
 95 THR  HA     98 GLU- HB2     5.37            #peak  1084
 89 THR  HA     92 ASP- HN      5.26            #peak  1085
 89 THR  HA     91 ASN  HN      5.50            #peak  1086
 90 LEU  QD1    92 ASP- HN      5.50            #peak  1089
 66 GLY  HN     90 LEU  QD1     5.26            #peak  1090
 90 LEU  QD1    94 GLU- HN      5.41            #peak  1092
 89 THR  HA     89 THR  QG2     4.23            #peak  1093
 59 LYS+ HD3    75 VAL  QG1     4.20            #peak  1094
 82 LEU  HA     82 LEU  QD2     4.53            #peak  1095
 79 LEU  HA     82 LEU  QD2     5.50            #peak  1096
 82 LEU  QD2    86 GLU- HA      5.50            #peak  1097
 75 VAL  QG1    76 SER  HB3     5.50            #peak  1099
 75 VAL  HB     75 VAL  QG1     4.17            #peak  1101
 55 MET  HG2    75 VAL  QG1     5.50            #peak  1102
 82 LEU  QD2    86 GLU- HB3     5.26            #peak  1104
 79 LEU  HA     79 LEU  QD2     4.16            #peak  1105
 79 LEU  HB3    79 LEU  QD2     4.04            #peak  1106
 61 ALA  QB     75 VAL  QG1     4.41            #peak  1107
 66 GLY  HA1    82 LEU  QD2     5.50            #peak  1109
 82 LEU  QD2    87 ILE  HB      5.50            #peak  1110
 67 LYS+ HB3    82 LEU  QD2     5.50            #peak  1111
 82 LEU  HB3    82 LEU  QD2     3.85            #peak  1112
 66 GLY  HA2    82 LEU  QD2     5.50            #peak  1113
 31 VAL  HA     31 VAL  QG1     4.67            #peak  1114
 67 LYS+ HN     89 THR  QG2     5.50            #peak  1115
 66 GLY  HN     89 THR  QG2     5.50            #peak  1116
 89 THR  QG2    92 ASP- HN      5.50            #peak  1117
 13 THR  QG2    15 GLU- HN      4.16            #peak  1118
 42 THR  HN     42 THR  QG2     4.23            #peak  1119
 89 THR  QG2    93 TRP  HE1     4.64            #peak  1120
 89 THR  QG2    90 LEU  HN      5.12            #peak  1122
104 VAL  QG2   104 VAL  QG1     3.81            #peak  1124
 32 ALA  QB     60 ASP- HB2     4.74            #peak  1125
 17 LEU  QD1    32 ALA  QB      4.19            #peak  1126
 32 ALA  QB     60 ASP- HB3     5.41            #peak  1128
 39 ASP- HB2   104 VAL  QG1     4.96            #peak  1129
 39 ASP- HB3   104 VAL  QG1     5.12            #peak  1130
 32 ALA  QB     37 VAL  HA      5.01            #peak  1131
106 ARG+ HD3   107 VAL  QG1     5.50            #peak  1132
 41 THR  HN     41 THR  QG2     4.48            #peak  1133
 37 VAL  QG2   105 GLY  HN      5.48            #peak  1134
 37 VAL  HN     37 VAL  QG2     4.38            #peak  1135
 37 VAL  QG2   107 VAL  HN      4.56            #peak  1136
 32 ALA  HN     32 ALA  QB      4.44            #peak  1137
 37 VAL  QG2   106 ARG+ HA      4.70            #peak  1138
 37 VAL  QG2   107 VAL  HA      5.50            #peak  1139
 36 ARG+ HA     37 VAL  QG2     5.35            #peak  1140
107 VAL  HN    107 VAL  QG1     4.12            #peak  1142
 31 VAL  HA     37 VAL  QG2     5.50            #peak  1143
 32 ALA  HA     32 ALA  QB      4.51            #peak  1144
 32 ALA  QB     60 ASP- HA      4.54            #peak  1145
 31 VAL  HA     32 ALA  QB      5.50            #peak  1146
104 VAL  HA    104 VAL  QG1     4.36            #peak  1147
 38 PHE  QE    103 VAL  QG2     4.44            #peak  1148
 37 VAL  HA     37 VAL  QG2     4.74            #peak  1149
 76 SER  HB2    78 SER  HN      5.50            #peak  1150
 63 ARG+ HN     76 SER  HB3     5.50            #peak  1152
 69 SER  HB3    74 ASP- HN      5.50            #peak  1154
 76 SER  HN     76 SER  HB3     5.42            #peak  1155
 76 SER  HA     76 SER  HB2     4.65            #peak  1157
 76 SER  HB3    76 SER  HB2     3.90            #peak  1158
 76 SER  HN     76 SER  HB2     5.24            #peak  1159
 69 SER  HN     69 SER  HB3     5.00            #peak  1161
103 VAL  QG2   104 VAL  HN      5.01            #peak  1163
 31 VAL  HN     31 VAL  QG1     5.41            #peak  1164
103 VAL  HN    103 VAL  QG2     4.52            #peak  1166
 36 ARG+ HN    103 VAL  QG2     5.50            #peak  1167
 37 VAL  HN    103 VAL  QG2     5.50            #peak  1168
 76 SER  HA     76 SER  HB3     5.47            #peak  1169
 42 THR  HB     42 THR  QG2     3.75            #peak  1170
 42 THR  HA     42 THR  QG2     3.88            #peak  1171
 89 THR  HB     89 THR  QG2     4.40            #peak  1172
107 VAL  HA    107 VAL  QG1     4.51            #peak  1174
 38 PHE  HA    103 VAL  QG2     5.50            #peak  1175
 32 ALA  QB     33 ILE  HN      4.77            #peak  1176
 66 GLY  HA2    89 THR  QG2     3.95            #peak  1177
 13 THR  HB     13 THR  QG2     3.99            #peak  1178
 42 THR  QG2    44 LYS+ HN      5.50            #peak  1179
 68 MET  HB2    89 THR  QG2     5.25            #peak  1180
 13 THR  HA     13 THR  QG2     4.18            #peak  1181
 83 THR  HB     83 THR  QG2     3.90            #peak  1182
 83 THR  HA     83 THR  QG2     3.88            #peak  1183
 41 THR  HB     41 THR  QG2     4.20            #peak  1184
 89 THR  HA     89 THR  HB      5.50            #peak  1185
 77 PRO  HA     77 PRO  HG3     5.50            #peak  1186
 17 LEU  QD1    17 LEU  HG      4.42            #peak  1191
 82 LEU  QD1    87 ILE  HG12    5.23            #peak  1192
 82 LEU  QD1    86 GLU- HB3     5.50            #peak  1193
 65 LEU  HG     66 GLY  HN      5.50            #peak  1194
 82 LEU  QD1    86 GLU- HA      5.50            #peak  1195
 65 LEU  HA     65 LEU  HG      4.61            #peak  1197
 17 LEU  HN     17 LEU  QD2     5.18            #peak  1198
 17 LEU  HN     17 LEU  QD1     5.09            #peak  1201
 17 LEU  HB3    17 LEU  QD1     4.72            #peak  1202
 17 LEU  HB3    17 LEU  QD2     5.09            #peak  1203
 17 LEU  HB2    17 LEU  QD1     4.77            #peak  1205
 17 LEU  HG     17 LEU  QD2     4.44            #peak  1206
 17 LEU  HB2    17 LEU  QD2     4.82            #peak  1207
 65 LEU  QD1    65 LEU  HG      4.44            #peak  1209
 79 LEU  HG     79 LEU  QD1     4.25            #peak  1210
 79 LEU  HB3    79 LEU  QD1     3.91            #peak  1211
 34 LYS+ HG3    79 LEU  QD1     4.91            #peak  1212
 82 LEU  HB3    82 LEU  QD1     3.94            #peak  1213
 82 LEU  QD1    86 GLU- HB2     4.47            #peak  1214
 33 ILE  HG13   65 LEU  HG      5.50            #peak  1217
 32 ALA  QB     33 ILE  HG13    5.50            #peak  1220
 96 LYS+ HB3    96 LYS+ HG2     5.37            #peak  1224
 33 ILE  HG13   33 ILE  HG12    4.56            #peak  1229
 33 ILE  HG12   65 LEU  QD1     5.50            #peak  1230
 28 PRO  HA     28 PRO  HG2     5.50            #peak  1232
 28 PRO  HD2    28 PRO  HG2     5.33            #peak  1234
 28 PRO  HD3    28 PRO  HG3     5.40            #peak  1235
 28 PRO  HD2    28 PRO  HG3     5.47            #peak  1236
 17 LEU  HG     58 GLY  HA2     5.50            #peak  1238
 96 LYS+ HG2    97 PHE  HN      5.50            #peak  1239
 23 THR  HN     23 THR  HB      5.19            #peak  1241
 17 LEU  HN     17 LEU  HG      5.50            #peak  1242
 82 LEU  HN     82 LEU  QD1     5.23            #peak  1243
 95 THR  HN     96 LYS+ HG3     5.50            #peak  1248
 65 LEU  QD1    94 GLU- HG3     5.50            #peak  1250
 27 LYS+ HA     27 LYS+ HG2     5.50            #peak  1251
 27 LYS+ HA     27 LYS+ HG3     5.50            #peak  1252
 95 THR  HB     96 LYS+ HG3     4.51            #peak  1258
 85 LYS+ HG2    87 ILE  HN      5.50            #peak  1259
 59 LYS+ HG3    59 LYS+ HD3     4.49            #peak  1265
 59 LYS+ HG2    59 LYS+ HG3     4.06            #peak  1266
 85 LYS+ HG3    86 GLU- HN      5.50            #peak  1268
 85 LYS+ HG2    86 GLU- HN      5.50            #peak  1269
 59 LYS+ HB2    59 LYS+ HG3     4.82            #peak  1270
100 LYS+ HG2   101 TYR  HN      5.50            #peak  1274
100 LYS+ HN    100 LYS+ HG2     5.50            #peak  1275
 59 LYS+ HA     59 LYS+ HG3     5.50            #peak  1276
 44 LYS+ HB3    44 LYS+ HG3     5.40            #peak  1278
 44 LYS+ HG2    45 SER  HA      5.50            #peak  1279
 90 LEU  HA     90 LEU  QD1     4.36            #peak  1283
 44 LYS+ HA     44 LYS+ HG3     5.50            #peak  1285
 99 ALA  QB    100 LYS+ HG2     5.50            #peak  1286
 70 LYS+ HA     70 LYS+ HG3     5.28            #peak  1287
100 LYS+ HG2   100 LYS+ HD2     4.55            #peak  1288
 79 LEU  HA     79 LEU  QD1     5.40            #peak  1291
 12 PHE  HB2    17 LEU  QD1     4.76            #peak  1295
 79 LEU  QD2    79 LEU  QD1     3.87            #peak  1296
 67 LYS+ HG3    67 LYS+ HG2     4.39            #peak  1297
 67 LYS+ HB2    67 LYS+ HG2     4.47            #peak  1298
 17 LEU  QD1    58 GLY  HA2     5.50            #peak  1300
 17 LEU  HA     17 LEU  QD1     4.88            #peak  1301
 17 LEU  HA     17 LEU  QD2     4.37            #peak  1302
 17 LEU  QD2    58 GLY  HA2     5.50            #peak  1303
 85 LYS+ HG2    88 ASN  HN      5.50            #peak  1306
 70 LYS+ HG2    70 LYS+ HE3     5.50            #peak  1307
 70 LYS+ HG3    70 LYS+ HE3     5.50            #peak  1309
 85 LYS+ HN     85 LYS+ HG2     5.50            #peak  1310
 59 LYS+ HG3    75 VAL  QG1     5.50            #peak  1311
 85 LYS+ HG2    85 LYS+ HD2     3.71            #peak  1315
 85 LYS+ HA     85 LYS+ HG2     4.97            #peak  1318
 39 ASP- HB3    40 VAL  HN      5.50            #peak  1320
 39 ASP- HN     39 ASP- HB3     5.39            #peak  1321
 74 ASP- HA     74 ASP- HB3     5.50            #peak  1325
 39 ASP- HA     39 ASP- HB2     5.50            #peak  1326
 92 ASP- HB2    93 TRP  HN      5.11            #peak  1327
 38 PHE  HB2   104 VAL  HN      5.50            #peak  1328
 92 ASP- HB3    93 TRP  HN      5.23            #peak  1331
 92 ASP- HN     92 ASP- HB3     4.42            #peak  1332
 69 SER  HB2    74 ASP- HB3     5.50            #peak  1333
 92 ASP- HB3    96 LYS+ HE3     5.41            #peak  1335
 92 ASP- HB3    92 ASP- HB2     3.59            #peak  1336
 39 ASP- HB3   102 PRO  HG2     5.50            #peak  1337
 65 LEU  HB2    90 LEU  QD1     5.50            #peak  1339
 38 PHE  HA     38 PHE  HB3     5.50            #peak  1342
 89 THR  HA     92 ASP- HB3     5.15            #peak  1343
 92 ASP- HA     92 ASP- HB2     4.71            #peak  1344
 89 THR  HA     92 ASP- HB2     5.15            #peak  1345
 64 ALA  QB     74 ASP- HB3     5.36            #peak  1346
 39 ASP- HB3    39 ASP- HB2     4.54            #peak  1347
 69 SER  HB3    74 ASP- HB3     5.50            #peak  1348
 89 THR  QG2    92 ASP- HB2     5.50            #peak  1349
 47 TYR  HN     47 TYR  HB2     5.40            #peak  1351
 33 ILE  HN     33 ILE  HB      5.49            #peak  1354
 39 ASP- HA     39 ASP- HB3     5.50            #peak  1359
 24 ASP- HA     24 ASP- HB3     5.50            #peak  1360
 67 LYS+ HA     67 LYS+ HE2     5.50            #peak  1361
 60 ASP- HN     60 ASP- HB3     5.19            #peak  1364
 47 TYR  HN     47 TYR  HB3     5.40            #peak  1368
 39 ASP- HN     39 ASP- HB2     5.17            #peak  1369
 74 ASP- HB2    75 VAL  HN      5.50            #peak  1370
 65 LEU  HB2    90 LEU  HB2     5.50            #peak  1377
 21 ASN  HN     21 ASN  HB3     5.50            #peak  1378
 21 ASN  HB2    21 ASN  HB3     4.38            #peak  1380
 21 ASN  HB2    58 GLY  HA1     5.50            #peak  1382
 21 ASN  HB3    58 GLY  HA1     5.50            #peak  1383
 21 ASN  HA     21 ASN  HB2     5.05            #peak  1384
 21 ASN  HA     21 ASN  HB3     4.92            #peak  1385
 46 PHE  HA     46 PHE  HB3     5.50            #peak  1389
 29 ILE  HB     29 ILE  HG13    4.58            #peak  1391
 46 PHE  HB3    47 TYR  HN      5.38            #peak  1392
 46 PHE  HB2    47 TYR  HN      5.50            #peak  1393
 71 ASN  HA     71 ASN  HB2     5.07            #peak  1394
 71 ASN  HB3    73 GLU- HN      4.91            #peak  1395
 88 ASN  HB3    89 THR  QG2     5.50            #peak  1397
 85 LYS+ HG2    86 GLU- HG3     5.50            #peak  1398
 71 ASN  HA     71 ASN  HB3     4.97            #peak  1399
 71 ASN  HB3    71 ASN  HB2     3.71            #peak  1400
 21 ASN  HB3    57 ALA  QB      5.50            #peak  1403
 71 ASN  HB2    73 GLU- HN      5.06            #peak  1405
 71 ASN  HB2    74 ASP- HN      5.50            #peak  1407
 79 LEU  HA     79 LEU  HB3     4.93            #peak  1409
 52 ASP- HN     52 ASP- HB2     4.97            #peak  1412
 52 ASP- HA     52 ASP- HB2     4.97            #peak  1415
 65 LEU  HB3    90 LEU  QD1     5.50            #peak  1417
 65 LEU  HB3    65 LEU  HG      5.21            #peak  1418
 65 LEU  HB2    65 LEU  HB3     4.82            #peak  1419
 39 ASP- HB3   104 VAL  QG2     5.50            #peak  1423
 61 ALA  QB     65 LEU  HB3     5.50            #peak  1426
101 TYR  HA    101 TYR  HB2     5.50            #peak  1430
101 TYR  HB2   102 PRO  HD3     5.50            #peak  1431
101 TYR  HB3   102 PRO  HD2     5.50            #peak  1433
 29 ILE  HB     29 ILE  HG12    5.50            #peak  1435
101 TYR  HB3   102 PRO  HD3     5.50            #peak  1436
101 TYR  HB2   101 TYR  HB3     4.95            #peak  1437
101 TYR  HA    101 TYR  HB3     5.50            #peak  1438
 92 ASP- HN     92 ASP- HB2     4.41            #peak  1441
100 LYS+ HN    101 TYR  HB3     5.50            #peak  1442
101 TYR  HB2   102 PRO  HD2     5.50            #peak  1443
 12 PHE  HB2    13 THR  HN      5.50            #peak  1445
 12 PHE  HB3    13 THR  HN      5.43            #peak  1446
 59 LYS+ HE3    60 ASP- HN      5.50            #peak  1447
 59 LYS+ HN     59 LYS+ HE3     5.50            #peak  1448
 12 PHE  HN     12 PHE  HB3     4.90            #peak  1449
 12 PHE  HA     12 PHE  HB2     5.30            #peak  1450
 63 ARG+ HD2    82 LEU  QD2     5.50            #peak  1452
106 ARG+ HD3   108 VAL  QG2     5.50            #peak  1453
 12 PHE  HB3   107 VAL  QG1     5.50            #peak  1454
 12 PHE  HA     12 PHE  HB3     5.26            #peak  1455
 12 PHE  HN     12 PHE  HB2     5.07            #peak  1456
106 ARG+ HA    106 ARG+ HD3     5.50            #peak  1457
 59 LYS+ HD3    59 LYS+ HE3     4.12            #peak  1460
  9 LEU  HB3     9 LEU  QD1     4.84            #peak  1461
 44 LYS+ HD2    44 LYS+ HE3     4.14            #peak  1462
 27 LYS+ HB2    27 LYS+ HE2     4.58            #peak  1463
  9 LEU  HB2     9 LEU  QD1     4.67            #peak  1464
  9 LEU  HB2     9 LEU  QD2     5.14            #peak  1465
 59 LYS+ HG3    59 LYS+ HE3     4.76            #peak  1466
  9 LEU  HA      9 LEU  HB2     5.23            #peak  1467
  9 LEU  HA      9 LEU  HB3     5.04            #peak  1468
  9 LEU  HB2    10 GLU- HN      5.50            #peak  1470
 59 LYS+ HE3    75 VAL  QG1     5.20            #peak  1472
  9 LEU  HB2     9 LEU  HB3     4.06            #peak  1473
 36 ARG+ HG2    36 ARG+ HD3     5.31            #peak  1480
 36 ARG+ HB2    36 ARG+ HD3     5.50            #peak  1481
 36 ARG+ HD3   103 VAL  QG2     5.50            #peak  1483
 50 GLY  HA2    50 GLY  HA1     3.88            #peak  1485
 51 GLY  HA1    51 GLY  HA2     4.26            #peak  1490
 36 ARG+ HD3    38 PHE  QE      5.50            #peak  1492
 63 ARG+ HG2    63 ARG+ HD2     5.50            #peak  1494
106 ARG+ HB3   106 ARG+ HD3     4.74            #peak  1495
106 ARG+ HD3   108 VAL  QG1     5.50            #peak  1496
 63 ARG+ HD2    67 LYS+ HG3     5.50            #peak  1498
 48 GLY  HA2    48 GLY  HA1     4.42            #peak  1499
 48 GLY  HN     48 GLY  HA1     5.04            #peak  1502
 12 PHE  HB3    12 PHE  HB2     4.52            #peak  1505
106 ARG+ HG3   106 ARG+ HD3     4.70            #peak  1506
106 ARG+ HG2   106 ARG+ HD3     4.69            #peak  1507
 63 ARG+ HB2    63 ARG+ HD2     5.50            #peak  1509
 70 LYS+ HD3    70 LYS+ HE3     4.43            #peak  1510
 60 ASP- HB2    60 ASP- HB3     4.39            #peak  1511
 67 LYS+ HB3    67 LYS+ HE2     5.50            #peak  1515
 90 LEU  HB3    90 LEU  HG      5.38            #peak  1516
 90 LEU  HB2    90 LEU  HB3     4.99            #peak  1517
 33 ILE  HB     33 ILE  HG13    5.50            #peak  1520
 90 LEU  HB2    90 LEU  QD1     5.47            #peak  1521
 44 LYS+ HG3    44 LYS+ HE3     4.51            #peak  1523
 33 ILE  HB     33 ILE  HG12    5.50            #peak  1524
 47 TYR  HA     47 TYR  HB2     5.50            #peak  1525
 24 ASP- HB2    27 LYS+ HG2     5.31            #peak  1527
 47 TYR  HA     47 TYR  HB3     5.50            #peak  1529
 60 ASP- HA     60 ASP- HB2     5.50            #peak  1530
 59 LYS+ HA     60 ASP- HB2     5.50            #peak  1531
 90 LEU  HA     90 LEU  HB3     5.50            #peak  1532
 60 ASP- HA     60 ASP- HB3     5.50            #peak  1533
 74 ASP- HA     74 ASP- HB2     5.50            #peak  1534
 24 ASP- HA     24 ASP- HB2     4.99            #peak  1536
 67 LYS+ HG2    67 LYS+ HE2     5.43            #peak  1537
 67 LYS+ HB2    67 LYS+ HE2     4.93            #peak  1538
 67 LYS+ HG3    67 LYS+ HE2     4.67            #peak  1539
 60 ASP- HB3    75 VAL  QG1     5.50            #peak  1540
 17 LEU  QD1    30 TYR  HB2     5.30            #peak  1541
 87 ILE  HA     90 LEU  HB2     5.50            #peak  1544
 44 LYS+ HG2    44 LYS+ HE3     4.46            #peak  1545
 14 ALA  HA     17 LEU  HB3     4.95            #peak  1546
 24 ASP- HN     24 ASP- HB2     4.66            #peak  1550
 90 LEU  HB3    91 ASN  HN      5.50            #peak  1551
 96 LYS+ HD2    96 LYS+ HE3     4.52            #peak  1552
 27 LYS+ HA     27 LYS+ HE2     5.50            #peak  1556
 27 LYS+ HG2    27 LYS+ HE2     4.10            #peak  1557
 27 LYS+ HG3    27 LYS+ HE2     3.94            #peak  1558
 17 LEU  HB3    17 LEU  HG      5.42            #peak  1560
 17 LEU  HB3    17 LEU  HB2     4.81            #peak  1562
 92 ASP- HA     96 LYS+ HE3     5.50            #peak  1563
 93 TRP  HA     96 LYS+ HE3     5.50            #peak  1564
 96 LYS+ HG2    96 LYS+ HE3     4.75            #peak  1565
 96 LYS+ HG3    96 LYS+ HE3     4.05            #peak  1566
 24 ASP- HB3    24 ASP- HB2     4.10            #peak  1568
 47 TYR  HB2    47 TYR  HB3     4.85            #peak  1569
100 LYS+ HG2   100 LYS+ HE2     4.89            #peak  1570
100 LYS+ HD2   100 LYS+ HE2     4.01            #peak  1571
100 LYS+ HB3   100 LYS+ HE2     4.60            #peak  1572
100 LYS+ HB2   100 LYS+ HE2     5.39            #peak  1573
 66 GLY  HA1    90 LEU  HB2     5.50            #peak  1574
 85 LYS+ HB2    85 LYS+ HG3     4.24            #peak  1580
 96 LYS+ HB2    96 LYS+ HD3     4.76            #peak  1581
 69 SER  HA     70 LYS+ HB2     5.50            #peak  1582
 67 LYS+ HA     67 LYS+ HB3     5.46            #peak  1583
 67 LYS+ HB3    67 LYS+ HG2     5.28            #peak  1584
 70 LYS+ HB2    70 LYS+ HG3     4.55            #peak  1586
 70 LYS+ HB2    70 LYS+ HG2     4.50            #peak  1587
 67 LYS+ HB3    67 LYS+ HG3     4.78            #peak  1588
 67 LYS+ HB3    68 MET  HN      5.50            #peak  1591
 67 LYS+ HB2    68 MET  HN      5.50            #peak  1592
 64 ALA  HA     67 LYS+ HB3     5.50            #peak  1595
 77 PRO  HA     77 PRO  HB3     5.24            #peak  1596
107 VAL  HN    107 VAL  HB      4.73            #peak  1600
 85 LYS+ HN     85 LYS+ HB3     4.75            #peak  1606
 85 LYS+ HB2    86 GLU- HN      5.50            #peak  1610
102 PRO  HB2   103 VAL  HN      5.28            #peak  1611
 37 VAL  QG2   106 ARG+ HB3     5.50            #peak  1612
108 VAL  HN    108 VAL  HB      5.38            #peak  1614
106 ARG+ HA    106 ARG+ HB3     5.19            #peak  1618
 19 GLN  HB2    19 GLN  HG2     4.33            #peak  1620
106 ARG+ HB3   107 VAL  QG1     5.50            #peak  1621
106 ARG+ HB3   108 VAL  QG2     5.50            #peak  1622
108 VAL  HA    108 VAL  HB      4.22            #peak  1625
 28 PRO  HD2    28 PRO  HB2     5.50            #peak  1626
 28 PRO  HA     28 PRO  HB2     5.40            #peak  1627
 28 PRO  HD3    28 PRO  HB2     5.50            #peak  1628
 28 PRO  HB2    28 PRO  HB3     4.22            #peak  1629
104 VAL  HA    104 VAL  HB      4.53            #peak  1630
 28 PRO  HA     28 PRO  HB3     5.19            #peak  1632
 28 PRO  HD2    28 PRO  HB3     5.50            #peak  1633
 28 PRO  HD3    28 PRO  HB3     5.50            #peak  1634
 28 PRO  HG2    28 PRO  HB2     4.78            #peak  1636
 44 LYS+ HB2    44 LYS+ HE3     5.50            #peak  1644
 44 LYS+ HB3    44 LYS+ HE3     5.50            #peak  1645
 44 LYS+ HA     44 LYS+ HB3     5.04            #peak  1646
 41 THR  HA     44 LYS+ HB3     5.50            #peak  1647
103 VAL  HN    103 VAL  HB      4.76            #peak  1651
 43 GLY  HA1    44 LYS+ HB2     5.50            #peak  1652
 37 VAL  HB    105 GLY  HA2     5.50            #peak  1653
 37 VAL  HA     37 VAL  HB      5.50            #peak  1655
 37 VAL  HB    107 VAL  QG1     5.50            #peak  1659
 36 ARG+ HB2    38 PHE  QE      5.50            #peak  1660
 37 VAL  HB    105 GLY  HN      5.31            #peak  1661
 37 VAL  HB     38 PHE  HN      5.50            #peak  1665
 37 VAL  HB    106 ARG+ HN      5.50            #peak  1666
 37 VAL  HN     37 VAL  HB      5.21            #peak  1667
102 PRO  HA    102 PRO  HB2     4.52            #peak  1670
 85 LYS+ HA     85 LYS+ HB2     4.63            #peak  1671
 93 TRP  HA     96 LYS+ HB3     5.50            #peak  1673
 96 LYS+ HA     96 LYS+ HB3     5.18            #peak  1674
 93 TRP  HA     96 LYS+ HB2     5.50            #peak  1675
 68 MET  HN     68 MET  HG2     5.15            #peak  1676
 67 LYS+ HN     68 MET  HG2     5.50            #peak  1677
 96 LYS+ HB3    96 LYS+ HB2     4.30            #peak  1679
102 PRO  HG2   102 PRO  HB2     3.71            #peak  1680
102 PRO  HG3   102 PRO  HB2     4.57            #peak  1681
 39 ASP- HB3   102 PRO  HB2     5.50            #peak  1682
106 ARG+ HA    107 VAL  HB      5.50            #peak  1683
107 VAL  HA    107 VAL  HB      5.50            #peak  1684
 96 LYS+ HB3    96 LYS+ HD2     5.50            #peak  1685
 44 LYS+ HB2    44 LYS+ HG2     5.37            #peak  1690
 44 LYS+ HB2    44 LYS+ HG3     5.06            #peak  1691
 44 LYS+ HB2    44 LYS+ HD2     4.94            #peak  1692
 37 VAL  QG2   107 VAL  HB      5.50            #peak  1693
 68 MET  HB2    68 MET  HG2     3.85            #peak  1694
 68 MET  HA     68 MET  HG2     4.85            #peak  1695
 67 LYS+ HA     68 MET  HG2     5.50            #peak  1696
 96 LYS+ HB2    96 LYS+ HD2     5.50            #peak  1697
102 PRO  HB2   104 VAL  QG1     4.94            #peak  1698
 32 ALA  QB     37 VAL  HB      5.50            #peak  1699
 19 GLN  HN     19 GLN  HG2     5.09            #peak  1700
 11 GLU- HN     11 GLU- HG3     5.43            #peak  1705
 86 GLU- HA     86 GLU- HG3     5.01            #peak  1707
 98 GLU- HG2   103 VAL  QG2     5.50            #peak  1708
 98 GLU- HG3   103 VAL  QG2     5.50            #peak  1709
 98 GLU- HA     98 GLU- HG2     5.44            #peak  1713
 98 GLU- HA     98 GLU- HG3     5.36            #peak  1714
 95 THR  HA     98 GLU- HG3     5.50            #peak  1715
 91 ASN  HN     91 ASN  HB2     5.02            #peak  1717
 31 VAL  HA     31 VAL  HB      5.50            #peak  1718
 97 PHE  HB2   100 LYS+ HN      5.50            #peak  1724
 53 TYR  HN     53 TYR  HB3     5.50            #peak  1730
 56 PHE  HA     56 PHE  HB3     5.50            #peak  1735
 98 GLU- HG3    98 GLU- HG2     3.86            #peak  1739
 88 ASN  HA     88 ASN  HB2     4.63            #peak  1741
 98 GLU- HB3    98 GLU- HG3     4.67            #peak  1743
 86 GLU- HB2    86 GLU- HG3     5.18            #peak  1744
 11 GLU- HB2    11 GLU- HG3     4.46            #peak  1745
 98 GLU- HB2    98 GLU- HG2     5.07            #peak  1746
 98 GLU- HB3    98 GLU- HG2     4.83            #peak  1747
 83 THR  HN     86 GLU- HG3     5.50            #peak  1750
 88 ASN  HA     88 ASN  HB3     4.60            #peak  1752
 85 LYS+ HA     88 ASN  HB3     4.93            #peak  1753
 88 ASN  HN     88 ASN  HB2     4.48            #peak  1755
100 LYS+ HN    100 LYS+ HB2     5.28            #peak  1759
 10 GLU- HN     10 GLU- HG3     5.43            #peak  1765
 10 GLU- HN     10 GLU- HG2     5.50            #peak  1767
 10 GLU- HA     10 GLU- HG3     5.15            #peak  1769
100 LYS+ HB3   100 LYS+ HD2     5.20            #peak  1771
 99 ALA  QB    100 LYS+ HB2     5.50            #peak  1773
 73 GLU- HB2    73 GLU- HG3     3.79            #peak  1774
 16 GLN  HN     16 GLN  HG3     5.04            #peak  1775
106 ARG+ HB3   107 VAL  HN      5.04            #peak  1777
 19 GLN  HG3    19 GLN  HG2     3.67            #peak  1779
 27 LYS+ HA     27 LYS+ HB2     5.29            #peak  1785
 80 GLU- HG3    81 GLY  HN      5.37            #peak  1789
 17 LEU  QD1    20 TYR  HB2     5.50            #peak  1793
 59 LYS+ HB3    59 LYS+ HG2     5.25            #peak  1794
 59 LYS+ HB2    59 LYS+ HG2     5.18            #peak  1795
 84 GLU- HA     84 GLU- HG2     4.68            #peak  1796
 25 GLU- HA     25 GLU- HG3     4.07            #peak  1797
 73 GLU- HA     73 GLU- HG3     4.73            #peak  1798
 11 GLU- HG3   108 VAL  QG2     5.50            #peak  1801
 94 GLU- HA     97 PHE  HB2     5.50            #peak  1802
 97 PHE  HB2    97 PHE  HB3     4.63            #peak  1804
 84 GLU- HA     87 ILE  HB      4.97            #peak  1805
 87 ILE  HB     87 ILE  HG13    5.30            #peak  1806
 80 GLU- HN     80 GLU- HG3     4.67            #peak  1808
 72 GLU- HN     72 GLU- HG2     4.27            #peak  1809
 73 GLU- HN     73 GLU- HG3     4.90            #peak  1810
 59 LYS+ HB3    60 ASP- HN      5.50            #peak  1811
 19 GLN  HN     20 TYR  HB2     5.50            #peak  1813
 59 LYS+ HB2    75 VAL  QG1     5.22            #peak  1817
 59 LYS+ HB3    75 VAL  QG1     5.39            #peak  1818
 59 LYS+ HA     59 LYS+ HB2     5.45            #peak  1820
 59 LYS+ HB3    59 LYS+ HG3     5.28            #peak  1823
 62 SER  HA     65 LEU  QD1     5.50            #peak  1824
 62 SER  HA     65 LEU  HB3     5.50            #peak  1825
 62 SER  HA     90 LEU  QD1     5.06            #peak  1826
 62 SER  HA     79 LEU  QD2     5.43            #peak  1827
 62 SER  HN     62 SER  HA      5.04            #peak  1828
 62 SER  HA     65 LEU  HN      5.50            #peak  1830
 62 SER  HA     66 GLY  HN      5.50            #peak  1831
 13 THR  QG2   109 SER  HA      5.50            #peak  1833
 65 LEU  QD2    90 LEU  HB3     5.50            #peak  1836
 65 LEU  QD2    93 TRP  HE1     5.50            #peak  1837
 33 ILE  QD1    93 TRP  HN      5.50            #peak  1838
 33 ILE  QD1    94 GLU- HN      5.50            #peak  1839
 33 ILE  HN     33 ILE  QD1     5.50            #peak  1840
 33 ILE  QD1    97 PHE  HN      5.50            #peak  1841
 33 ILE  QD1    94 GLU- HA      4.75            #peak  1844
 33 ILE  QD1    93 TRP  HB2     5.08            #peak  1849
 33 ILE  HB     33 ILE  QD1     4.84            #peak  1851
 31 VAL  HB     33 ILE  QD1     5.41            #peak  1852
 33 ILE  HG12   33 ILE  QD1     4.57            #peak  1853
 33 ILE  HG13   33 ILE  QD1     4.68            #peak  1855
 33 ILE  QD1    65 LEU  QD1     4.53            #peak  1856
 33 ILE  HA     33 ILE  HB      5.50            #peak  1857
 33 ILE  HA     33 ILE  QD1     5.50            #peak  1858
 63 ARG+ HA     66 GLY  HN      5.50            #peak  1862
 63 ARG+ HA     67 LYS+ HN      5.50            #peak  1863
 63 ARG+ HA     63 ARG+ HD2     5.50            #peak  1864
 63 ARG+ HA     63 ARG+ HG2     5.01            #peak  1865
 94 GLU- HA     94 GLU- HG3     4.90            #peak  1868
 29 ILE  HA     30 TYR  HN      4.34            #peak  1869
 22 GLY  HN     29 ILE  HA      5.50            #peak  1871
 49 SER  HA     49 SER  HB2     4.06            #peak  1873
 34 LYS+ HN     90 LEU  QD1     5.50            #peak  1875
 33 ILE  QD1    90 LEU  QD1     5.06            #peak  1876
 66 GLY  HA2    90 LEU  QD1     5.50            #peak  1877
 66 GLY  HA1    82 LEU  QD1     5.50            #peak  1878
 66 GLY  HA2    90 LEU  HB3     5.50            #peak  1880
 66 GLY  HA1    87 ILE  HA      5.50            #peak  1881
 66 GLY  HA1    89 THR  HB      5.50            #peak  1882
 66 GLY  HA2    89 THR  HB      5.50            #peak  1883
 30 TYR  HN     37 VAL  QG1     5.50            #peak  1884
 76 SER  HB3    77 PRO  HD3     5.50            #peak  1885
 33 ILE  HG12   38 PHE  QD      5.50            #peak  1887
 33 ILE  HG13   61 ALA  HN      5.50            #peak  1888
 33 ILE  HG12   94 GLU- HA      5.50            #peak  1889
 33 ILE  HG12   61 ALA  QB      5.50            #peak  1890
 33 ILE  HG12   38 PHE  QE      5.50            #peak  1891
 47 TYR  HA     47 TYR  QD      5.50            #peak  1892
 29 ILE  HG13   30 TYR  HN      5.50            #peak  1894
 14 ALA  HN    107 VAL  QG2     5.13            #peak  1895
 33 ILE  QG2    65 LEU  QD1     5.02            #peak  1896
 33 ILE  QG2    33 ILE  HG13    4.87            #peak  1897
 33 ILE  QG2    33 ILE  HG12    4.03            #peak  1898
 33 ILE  HB     33 ILE  QG2     4.17            #peak  1899
 33 ILE  QG2    94 GLU- HB2     4.98            #peak  1900
 33 ILE  QG2    94 GLU- HB3     5.50            #peak  1901
 33 ILE  QG2    34 LYS+ HB2     4.97            #peak  1902
 33 ILE  QG2    93 TRP  HB2     5.50            #peak  1903
 33 ILE  QG2    98 GLU- HG2     5.50            #peak  1904
 33 ILE  QG2    33 ILE  QD1     3.98            #peak  1905
 33 ILE  QG2    94 GLU- HN      5.35            #peak  1906
 33 ILE  HN     33 ILE  QG2     5.40            #peak  1907
 33 ILE  QG2    34 LYS+ HN      5.20            #peak  1908
 60 ASP- HN    107 VAL  QG2     5.28            #peak  1910
 22 GLY  HN     23 THR  QG2     5.50            #peak  1913
 21 ASN  HA     57 ALA  QB      4.57            #peak  1914
 57 ALA  QB     58 GLY  HN      5.10            #peak  1915
 57 ALA  QB     59 LYS+ HN      5.50            #peak  1918
 57 ALA  HN     57 ALA  QB      4.23            #peak  1919
 35 GLY  HA2   107 VAL  HB      5.50            #peak  1922
 83 THR  QG2    85 LYS+ HN      5.18            #peak  1924
 41 THR  HA     41 THR  QG2     4.18            #peak  1925
 29 ILE  HG12   41 THR  QG2     4.56            #peak  1926
 22 GLY  HA1    29 ILE  QD1     4.32            #peak  1927
 29 ILE  HN     29 ILE  QD1     5.18            #peak  1929
 29 ILE  QD1    48 GLY  HA2     4.84            #peak  1933
 29 ILE  HG13   29 ILE  QD1     3.76            #peak  1934
 29 ILE  QD1    44 LYS+ HD2     4.25            #peak  1935
 29 ILE  QD1    44 LYS+ HB2     4.91            #peak  1936
 29 ILE  QD1    44 LYS+ HE3     5.50            #peak  1938
  9 LEU  HA      9 LEU  QD2     3.98            #peak  1940
 33 ILE  QD1    94 GLU- HG2     5.50            #peak  1944
 33 ILE  QD1    94 GLU- HG3     5.50            #peak  1945
 84 GLU- HG2    88 ASN  HD21    5.50            #peak  1949
 84 GLU- HN     84 GLU- HG3     5.33            #peak  1951
 13 THR  QG2   108 VAL  QG1     4.33            #peak  1954
 95 THR  HA     97 PHE  HN      5.50            #peak  1956
 32 ALA  QB     35 GLY  HN      5.45            #peak  1957
 32 ALA  QB     60 ASP- HN      5.49            #peak  1959
 14 ALA  HA    107 VAL  QG2     5.09            #peak  1960
 13 THR  HB    107 VAL  QG2     5.50            #peak  1961
 35 GLY  HA2   107 VAL  QG1     5.32            #peak  1962
 35 GLY  HA1   107 VAL  QG1     5.50            #peak  1963
 21 ASN  HA     22 GLY  HA1     5.50            #peak  1964
  9 LEU  HA      9 LEU  QD1     5.27            #peak  1967
  9 LEU  QD1   105 GLY  HA2     5.50            #peak  1968
 17 LEU  QD1    60 ASP- HN      5.39            #peak  1974
 29 ILE  HG13   41 THR  HA      5.50            #peak  1975
 29 ILE  HB     41 THR  HA      5.27            #peak  1977
 35 GLY  HA1   107 VAL  QG2     5.50            #peak  1978
106 ARG+ HG3   108 VAL  QG1     5.50            #peak  1979
 10 GLU- HA    106 ARG+ HN      5.50            #peak  1980
 31 VAL  QG2    33 ILE  QD1     5.50            #peak  1982
 33 ILE  QD1    96 LYS+ HN      5.50            #peak  1983
 33 ILE  QD1    95 THR  HN      5.50            #peak  1984
 33 ILE  QG2    94 GLU- HA      4.81            #peak  1986
 33 ILE  HA     33 ILE  QG2     4.46            #peak  1987
 14 ALA  QB    107 VAL  QG2     5.01            #peak  1988
 87 ILE  HB     87 ILE  QG2     4.10            #peak  1989
 87 ILE  HA     87 ILE  QG2     4.52            #peak  1990
 84 GLU- HA     87 ILE  QG2     5.23            #peak  1991
 84 GLU- HA     87 ILE  QD1     4.99            #peak  1992
 87 ILE  HN     87 ILE  QD1     5.17            #peak  1993
 87 ILE  QD1    88 ASN  HN      5.50            #peak  1994
 87 ILE  HA     87 ILE  QD1     4.59            #peak  1995
 87 ILE  HB     87 ILE  QD1     4.88            #peak  1996
 87 ILE  HG12   87 ILE  QD1     4.24            #peak  1998
 87 ILE  HG13   87 ILE  QD1     4.24            #peak  1999
 67 LYS+ HN     67 LYS+ HE3     5.50            #peak  2000
 17 LEU  QD2    37 VAL  QG1     4.32            #peak  2001
 17 LEU  QD1    59 LYS+ HA      5.09            #peak  2003
 12 PHE  HB3    17 LEU  QD2     5.50            #peak  2006
 12 PHE  HB2    17 LEU  QD2     5.50            #peak  2007
 12 PHE  HB2   107 VAL  QG1     5.50            #peak  2008
 12 PHE  HB2    17 LEU  HB2     5.50            #peak  2009
 12 PHE  QD     12 PHE  HB3     5.50            #peak  2011
 12 PHE  QD     12 PHE  HB2     5.50            #peak  2012
 38 PHE  QE    103 VAL  HB      5.50            #peak  2013
103 VAL  HN    104 VAL  QG1     5.50            #peak  2014
103 VAL  HN    104 VAL  QG2     5.50            #peak  2015
 29 ILE  QD1    57 ALA  QB      5.50            #peak  2017
  9 LEU  HB2   105 GLY  HA2     5.50            #peak  2018
  9 LEU  HB3   105 GLY  HA2     5.50            #peak  2019
 79 LEU  HN     80 GLU- HB2     5.50            #peak  2020
 14 ALA  HA     18 SER  HN      5.50            #peak  2021
 33 ILE  QG2    34 LYS+ HA      5.50            #peak  2022
 17 LEU  HA     17 LEU  HB2     5.12            #peak  2024
 17 LEU  HA     17 LEU  HG      5.49            #peak  2025
 34 LYS+ HA     35 GLY  HN      5.05            #peak  2026
 34 LYS+ HN     34 LYS+ HA      4.87            #peak  2027
 34 LYS+ HA     79 LEU  QD1     5.30            #peak  2028
 34 LYS+ HA     34 LYS+ HG2     5.16            #peak  2029
 34 LYS+ HA     34 LYS+ HB2     4.87            #peak  2030
 34 LYS+ HA     34 LYS+ HB3     4.85            #peak  2031
 34 LYS+ HA     34 LYS+ HG3     4.88            #peak  2032
 34 LYS+ HA     35 GLY  HA2     5.50            #peak  2033
 33 ILE  HG13   94 GLU- HA      5.50            #peak  2036
 79 LEU  QD1    80 GLU- HN      5.50            #peak  2037
107 VAL  HA    108 VAL  QG1     5.35            #peak  2038
 13 THR  HA    108 VAL  QG1     5.13            #peak  2039
 13 THR  QG2   107 VAL  QG1     5.50            #peak  2040
 11 GLU- HA     11 GLU- HG2     5.42            #peak  2045
 11 GLU- HA     11 GLU- HG3     5.47            #peak  2046
 11 GLU- HB2    11 GLU- HG2     4.52            #peak  2047
 11 GLU- HG2   106 ARG+ HG3     5.50            #peak  2048
 27 LYS+ HA     28 PRO  HG2     5.50            #peak  2050
 27 LYS+ HA     28 PRO  HG3     5.50            #peak  2051
106 ARG+ HA    107 VAL  QG1     5.50            #peak  2052
106 ARG+ HA    106 ARG+ HG2     5.50            #peak  2053
106 ARG+ HA    106 ARG+ HG3     5.50            #peak  2054
 36 ARG+ HA    106 ARG+ HA      5.50            #peak  2056
107 VAL  QG2   109 SER  HB3     5.41            #peak  2057
 13 THR  QG2   109 SER  HB3     5.50            #peak  2059
 37 VAL  QG1   105 GLY  HA1     5.50            #peak  2060
 37 VAL  QG1   107 VAL  HA      5.50            #peak  2061
 37 VAL  QG2   105 GLY  HA2     5.50            #peak  2063
107 VAL  QG2   108 VAL  HA      5.46            #peak  2064
 29 ILE  QD1    41 THR  HA      4.90            #peak  2065
 22 GLY  HA1    29 ILE  HG13    5.50            #peak  2066
 22 GLY  HN     22 GLY  HA1     4.65            #peak  2071
 13 THR  HN     16 GLN  HB3     5.50            #peak  2073
 59 LYS+ HA     75 VAL  QG1     5.50            #peak  2077
 13 THR  HA    107 VAL  QG2     5.13            #peak  2078
 22 GLY  HA2    29 ILE  QD1     5.49            #peak  2080
 31 VAL  HN     40 VAL  QG1     5.50            #peak  2081
 40 VAL  HN     40 VAL  QG1     5.23            #peak  2082
 40 VAL  QG1   101 TYR  HB2     5.50            #peak  2084
 38 PHE  HB3    40 VAL  QG1     5.41            #peak  2085
 72 GLU- HN     75 VAL  QG2     5.50            #peak  2086
 13 THR  HA    109 SER  HA      5.50            #peak  2089
 95 THR  HA     95 THR  QG2     4.00            #peak  2090
 95 THR  HB     95 THR  QG2     3.82            #peak  2091
 95 THR  QG2    96 LYS+ HN      4.97            #peak  2092
 67 LYS+ HE3    82 LEU  QD1     5.44            #peak  2093
 67 LYS+ HE3    82 LEU  QD2     5.50            #peak  2094
 67 LYS+ HE2    82 LEU  QD2     5.31            #peak  2095
 67 LYS+ HA     67 LYS+ HE3     5.50            #peak  2096
 12 PHE  HB2   107 VAL  QG2     5.50            #peak  2099
 12 PHE  HB2    37 VAL  QG2     5.50            #peak  2100
 12 PHE  HB3    37 VAL  QG2     5.50            #peak  2101
 30 TYR  HB2    37 VAL  QG1     4.51            #peak  2102
 35 GLY  HA1   107 VAL  HB      5.50            #peak  2105
 40 VAL  QG1   101 TYR  HA      5.50            #peak  2107
 38 PHE  QD    101 TYR  HB3     5.50            #peak  2108
 38 PHE  HB3   101 TYR  HB2     5.50            #peak  2111
 38 PHE  HB2   101 TYR  HB2     5.50            #peak  2112
 38 PHE  HB3   101 TYR  HB3     5.00            #peak  2113
 38 PHE  HA     38 PHE  HB2     5.50            #peak  2114
100 LYS+ HA    100 LYS+ HG2     4.82            #peak  2116
100 LYS+ HA    100 LYS+ HE2     5.50            #peak  2117
 33 ILE  QD1    97 PHE  HB2     5.50            #peak  2118
 40 VAL  QG2    47 TYR  HB2     5.46            #peak  2119
 29 ILE  QD1    47 TYR  HB3     5.50            #peak  2122
 47 TYR  HB2    57 ALA  QB      5.50            #peak  2123
 76 SER  HA     77 PRO  HG3     5.50            #peak  2124
 76 SER  HA     77 PRO  HG2     5.50            #peak  2125
 77 PRO  HA     77 PRO  HG2     5.50            #peak  2126
 77 PRO  HD3    77 PRO  HG2     5.43            #peak  2127
 77 PRO  HD2    77 PRO  HG2     5.41            #peak  2128
 60 ASP- HB3    77 PRO  HG3     5.50            #peak  2129
 33 ILE  QD1    90 LEU  QD2     5.50            #peak  2130
 47 TYR  QD     47 TYR  HB3     5.50            #peak  2132
 29 ILE  QG2    30 TYR  HN      4.71            #peak  2137
 29 ILE  QG2    49 SER  HN      5.50            #peak  2139
 22 GLY  HN     29 ILE  QG2     5.50            #peak  2140
 21 ASN  HA     29 ILE  QG2     5.48            #peak  2142
 20 TYR  HA     29 ILE  QG2     5.48            #peak  2143
 22 GLY  HA2    29 ILE  QG2     5.50            #peak  2144
 29 ILE  QG2    57 ALA  HA      5.19            #peak  2145
 29 ILE  QG2    41 THR  HA      5.50            #peak  2147
 29 ILE  QG2    47 TYR  HB2     5.06            #peak  2148
 29 ILE  QG2    47 TYR  HB3     5.24            #peak  2149
 29 ILE  QG2    29 ILE  HG12    4.99            #peak  2150
 29 ILE  QG2    57 ALA  QB      4.00            #peak  2151
 29 ILE  HB     29 ILE  QG2     4.36            #peak  2152
 29 ILE  QG2    40 VAL  QG2     4.25            #peak  2153
 40 VAL  QG2    57 ALA  QB      5.50            #peak  2155
 17 LEU  QD2    30 TYR  HB2     4.54            #peak  2159
 67 LYS+ HE2    69 SER  HB2     5.50            #peak  2160
 67 LYS+ HB3    67 LYS+ HE3     5.50            #peak  2161
 17 LEU  QD2    31 VAL  HN      5.50            #peak  2162
 34 LYS+ HB2    79 LEU  QD1     5.50            #peak  2163
 29 ILE  HB     40 VAL  QG2     5.04            #peak  2164
 40 VAL  HB     40 VAL  QG1     4.40            #peak  2165
 31 VAL  HB     40 VAL  QG1     4.66            #peak  2166
 40 VAL  QG1   101 TYR  HB3     5.50            #peak  2167
 38 PHE  HB2    40 VAL  QG1     5.41            #peak  2168
 40 VAL  QG2    40 VAL  QG1     4.10            #peak  2169
 31 VAL  QG2    40 VAL  QG1     5.47            #peak  2170
 31 VAL  QG1    40 VAL  QG1     4.86            #peak  2171
 40 VAL  QG1   101 TYR  HN      5.50            #peak  2172
 55 MET  HG3    70 LYS+ HB2     4.79            #peak  2174
 63 ARG+ HN     79 LEU  QD2     5.49            #peak  2175
 85 LYS+ HD2    86 GLU- HG3     5.50            #peak  2176
 68 MET  HG2    89 THR  QG2     4.08            #peak  2178
 30 TYR  HA     40 VAL  QG1     5.50            #peak  2183
 30 TYR  HA     37 VAL  QG1     5.50            #peak  2184
 17 LEU  QD2    30 TYR  HA      5.50            #peak  2185
 30 TYR  HA     40 VAL  QG2     5.50            #peak  2186
 30 TYR  HA     30 TYR  HB2     5.50            #peak  2188
 30 TYR  HA     31 VAL  HB      5.50            #peak  2189
 30 TYR  HA     39 ASP- HA      5.50            #peak  2190
101 TYR  HN    102 PRO  HD3     5.50            #peak  2194
 39 ASP- HN    102 PRO  HD3     5.50            #peak  2195
102 PRO  HD3   103 VAL  HN      5.50            #peak  2196
 96 LYS+ HA     99 ALA  HN      5.46            #peak  2197
 36 ARG+ HB2    36 ARG+ HG3     5.09            #peak  2200
 12 PHE  HB3    17 LEU  HB3     5.50            #peak  2201
 12 PHE  HB2    17 LEU  HB3     5.50            #peak  2202
 12 PHE  HB3    17 LEU  HB2     5.50            #peak  2203
 29 ILE  QD1    44 LYS+ HA      4.58            #peak  2204
 38 PHE  QD    103 VAL  HA      5.50            #peak  2205
 64 ALA  QB     65 LEU  QD2     5.50            #peak  2206
 61 ALA  HA     64 ALA  QB      5.50            #peak  2208
 61 ALA  HA     75 VAL  HA      5.50            #peak  2209
 10 GLU- HN    105 GLY  HA1     5.50            #peak  2210
 82 LEU  HA     83 THR  QG2     4.55            #peak  2211
 29 ILE  QD1    47 TYR  HB2     5.50            #peak  2213
 46 PHE  HB3    47 TYR  HB2     5.50            #peak  2215
 47 TYR  HB3    57 ALA  QB      5.50            #peak  2216
 90 LEU  QD2    91 ASN  HA      5.50            #peak  2217
 65 LEU  QD1    90 LEU  QD2     5.50            #peak  2219
  9 LEU  QD1   105 GLY  HA1     5.50            #peak  2220
  9 LEU  HB3   105 GLY  HA1     5.50            #peak  2221
  9 LEU  HB2   105 GLY  HA1     5.50            #peak  2222
  9 LEU  HA    105 GLY  HA2     5.50            #peak  2223
  9 LEU  QD2   105 GLY  HA2     4.80            #peak  2224
 65 LEU  QD1    90 LEU  HA      5.50            #peak  2226
 36 ARG+ HA    106 ARG+ HB3     5.50            #peak  2227
 29 ILE  QD1    48 GLY  HA1     5.23            #peak  2228
 44 LYS+ HG2    48 GLY  HA1     5.50            #peak  2230
 44 LYS+ HG3    48 GLY  HA1     5.50            #peak  2231
 29 ILE  HG13   48 GLY  HA1     5.50            #peak  2234
 29 ILE  HG13   48 GLY  HA2     5.50            #peak  2235
 48 GLY  HA1    50 GLY  HN      5.50            #peak  2236
 48 GLY  HA2    50 GLY  HN      5.50            #peak  2237
 36 ARG+ HB2    38 PHE  QD      5.50            #peak  2238
 66 GLY  HN     90 LEU  HA      5.50            #peak  2239
 54 SER  HB3    55 MET  HG3     5.50            #peak  2240
 65 LEU  QD2    89 THR  QG2     5.50            #peak  2241
 86 GLU- HA     89 THR  QG2     5.48            #peak  2242
 68 MET  HA     89 THR  QG2     5.50            #peak  2243
 55 MET  HG3    70 LYS+ HG3     5.50            #peak  2244
 55 MET  HG2    70 LYS+ HG3     5.50            #peak  2245
 55 MET  HG3    70 LYS+ HD3     5.50            #peak  2246
 79 LEU  HA     82 LEU  QD1     4.66            #peak  2247
 16 GLN  HA     16 GLN  HE22    5.50            #peak  2248
 16 GLN  HA     19 GLN  HN      5.50            #peak  2249
 25 GLU- HA     25 GLU- HB3     4.07            #peak  2250
 24 ASP- HA     25 GLU- HA      5.50            #peak  2251
  9 LEU  HA      9 LEU  HG      5.28            #peak  2252
 29 ILE  QD1    44 LYS+ HG2     4.81            #peak  2254
 29 ILE  HB     29 ILE  QD1     4.66            #peak  2255
 29 ILE  QD1    44 LYS+ HG3     5.11            #peak  2256
  9 LEU  QD2    10 GLU- HN      4.83            #peak  2257
  9 LEU  HG      9 LEU  QD2     4.19            #peak  2259
  9 LEU  HB3     9 LEU  QD2     4.53            #peak  2260
 52 ASP- HA     53 TYR  HN      5.09            #peak  2261
 10 GLU- HB2   105 GLY  HA2     5.50            #peak  2263
 10 GLU- HG2    11 GLU- HN      5.50            #peak  2264
  9 LEU  QD2    10 GLU- HG2     5.50            #peak  2266
 11 GLU- HG2    12 PHE  HB3     5.50            #peak  2267
 13 THR  QG2    16 GLN  HG3     5.50            #peak  2268
 15 GLU- HB2    16 GLN  HG3     5.50            #peak  2269
 15 GLU- HB3    16 GLN  HG3     5.50            #peak  2270
 16 GLN  HG3    16 GLN  HE22    5.33            #peak  2271
 38 PHE  QD    103 VAL  HB      5.50            #peak  2272
103 VAL  QG1   104 VAL  HA      5.50            #peak  2273
 36 ARG+ HA    103 VAL  QG1     5.50            #peak  2274
 25 GLU- HN     25 GLU- HA      4.19            #peak  2275
 25 GLU- HA     27 LYS+ HN      5.25            #peak  2276
 25 GLU- HA     26 SER  HN      5.12            #peak  2277
 15 GLU- HB3    16 GLN  HN      5.05            #peak  2279
 82 LEU  QD1    82 LEU  HG      4.44            #peak  2280
 29 ILE  QD1    29 ILE  HG12    4.70            #peak  2281
 82 LEU  HA     82 LEU  HG      5.50            #peak  2282
 79 LEU  HA     82 LEU  HG      5.50            #peak  2283
 82 LEU  HG     83 THR  HN      5.50            #peak  2286
 29 ILE  QD1    40 VAL  HN      5.50            #peak  2287
 29 ILE  HN     40 VAL  QG2     5.50            #peak  2289
108 VAL  HB    109 SER  HA      5.50            #peak  2291
108 VAL  QG1   109 SER  HB3     5.50            #peak  2292
 12 PHE  HB3   108 VAL  QG1     5.50            #peak  2293
 12 PHE  HB2   108 VAL  QG1     5.50            #peak  2294
108 VAL  HN    108 VAL  QG1     4.08            #peak  2295
 14 ALA  HN    108 VAL  QG1     5.50            #peak  2296
108 VAL  QG1   109 SER  HN      5.13            #peak  2297
 11 GLU- HN    108 VAL  QG1     5.50            #peak  2298
 17 LEU  QD2   107 VAL  QG1     3.86            #peak  2299
 37 VAL  HN    107 VAL  QG1     5.50            #peak  2301
 60 ASP- HN    107 VAL  QG1     5.50            #peak  2302
 38 PHE  QE     38 PHE  HB3     5.50            #peak  2303
 38 PHE  QD     38 PHE  HB3     5.50            #peak  2304
 38 PHE  QE     38 PHE  HB2     5.50            #peak  2305
 38 PHE  QD     38 PHE  HB2     5.50            #peak  2306
 12 PHE  QD     37 VAL  QG1     5.50            #peak  2308
 39 ASP- HB2   102 PRO  HG3     5.50            #peak  2309
 39 ASP- HB2   102 PRO  HG2     5.50            #peak  2310
102 PRO  HG3   104 VAL  QG2     5.50            #peak  2311
102 PRO  HG2   104 VAL  QG2     5.50            #peak  2312
 55 MET  HA     55 MET  HB2     4.89            #peak  2315
102 PRO  HB2   102 PRO  HD3     5.50            #peak  2316
101 TYR  HA    102 PRO  HD2     5.50            #peak  2319
 29 ILE  QD1    41 THR  HN      5.50            #peak  2320
 40 VAL  QG2    41 THR  HA      5.50            #peak  2321
 29 ILE  HG12   41 THR  HA      5.50            #peak  2322
 41 THR  HA     44 LYS+ HG3     5.50            #peak  2323
 63 ARG+ HB3    64 ALA  HN      5.50            #peak  2325
 12 PHE  QD     17 LEU  QD2     5.50            #peak  2326
 12 PHE  QE     17 LEU  QD2     5.50            #peak  2327
 30 TYR  QD     30 TYR  HB2     5.50            #peak  2328
 71 ASN  HA     72 GLU- HB2     5.50            #peak  2330
 57 ALA  HA     58 GLY  HA1     5.50            #peak  2331
 57 ALA  HA     58 GLY  HA2     5.50            #peak  2332
 31 VAL  HA     57 ALA  HA      5.50            #peak  2333
103 VAL  HA    104 VAL  HA      5.50            #peak  2334
 53 TYR  HA     53 TYR  HB2     5.50            #peak  2335
 53 TYR  HA     53 TYR  HB3     5.50            #peak  2336
 37 VAL  HN    106 ARG+ HB3     5.50            #peak  2338
 38 PHE  QD    101 TYR  HB2     5.50            #peak  2339
 38 PHE  QE    101 TYR  HB2     5.50            #peak  2340
101 TYR  QD    101 TYR  HB2     5.50            #peak  2341
101 TYR  QD    101 TYR  HB3     5.50            #peak  2342
 56 PHE  QD     56 PHE  HB3     5.50            #peak  2343
 56 PHE  QE     56 PHE  HB3     5.50            #peak  2344
 33 ILE  HN     36 ARG+ HB2     5.50            #peak  2347
 37 VAL  HB    106 ARG+ HA      5.50            #peak  2348
 37 VAL  HB    105 GLY  HA1     5.50            #peak  2349
 36 ARG+ HA     37 VAL  HB      5.50            #peak  2350
107 VAL  QG2   107 VAL  QG1     3.69            #peak  2351
 65 LEU  HA     90 LEU  HB3     5.50            #peak  2352
 12 PHE  QD    104 VAL  QG2     5.50            #peak  2353
 12 PHE  QE    104 VAL  QG2     5.50            #peak  2354
 37 VAL  QG1   103 VAL  HA      5.50            #peak  2355
 40 VAL  QG1   101 TYR  QE      5.13            #peak  2359
 40 VAL  QG1   101 TYR  QD      4.96            #peak  2360
 40 VAL  QG2    47 TYR  QD      5.47            #peak  2361
 40 VAL  QG2    47 TYR  QE      5.50            #peak  2362
 40 VAL  QG2   101 TYR  QD      5.50            #peak  2363
 30 TYR  HN     40 VAL  QG2     5.50            #peak  2364
 11 GLU- HG2   106 ARG+ HG2     5.50            #peak  2365
 11 GLU- HG3    12 PHE  HB3     5.50            #peak  2366
 67 LYS+ HB2    68 MET  HB2     5.42            #peak  2367
 12 PHE  HA     16 GLN  HB3     5.50            #peak  2369
 12 PHE  HB2    17 LEU  HA      5.50            #peak  2370
 13 THR  QG2    16 GLN  HB3     5.50            #peak  2371
 40 VAL  HA     41 THR  HN      5.31            #peak  2372
 40 VAL  HA     43 GLY  HN      5.20            #peak  2373
 40 VAL  HA    101 TYR  QD      5.50            #peak  2374
 40 VAL  HA    101 TYR  QE      5.50            #peak  2375
 17 LEU  QD2    20 TYR  HB2     5.50            #peak  2380
 20 TYR  HB2    29 ILE  QG2     5.50            #peak  2381
 17 LEU  QD2    20 TYR  HB3     5.50            #peak  2382
 15 GLU- HN     15 GLU- HG2     4.75            #peak  2383
 15 GLU- HG2    16 GLN  HN      5.50            #peak  2384
 24 ASP- HA     25 GLU- HG3     5.50            #peak  2385
 26 SER  HA     27 LYS+ HA      5.50            #peak  2388
 25 GLU- HN     26 SER  HB3     5.50            #peak  2389
 78 SER  HB3    79 LEU  HN      5.50            #peak  2390
 78 SER  HA     78 SER  HB2     4.70            #peak  2391
 78 SER  HA     78 SER  HB3     4.92            #peak  2392
 76 SER  HB3    78 SER  HB3     5.50            #peak  2393
 80 GLU- HB2    80 GLU- HG3     3.51            #peak  2396
 59 LYS+ HB2    61 ALA  QB      5.50            #peak  2397
 59 LYS+ HB3    61 ALA  QB      5.50            #peak  2398
 59 LYS+ HB2    59 LYS+ HE3     5.50            #peak  2399
 59 LYS+ HA     59 LYS+ HB3     5.50            #peak  2400
 63 ARG+ HB3    79 LEU  QD2     5.50            #peak  2401
 34 LYS+ HE2    79 LEU  QD2     5.50            #peak  2402
 63 ARG+ HA     79 LEU  QD2     4.61            #peak  2403
 34 LYS+ HA     79 LEU  QD2     5.46            #peak  2404
 33 ILE  QD1    94 GLU- HB3     5.50            #peak  2405
 33 ILE  QD1    94 GLU- HB2     5.50            #peak  2406
 79 LEU  QD1    91 ASN  HN      5.50            #peak  2407
 79 LEU  HB3    79 LEU  HG      4.32            #peak  2409
 51 GLY  HA1    52 ASP- HB2     5.50            #peak  2413
 22 GLY  HA1    29 ILE  HG12    5.50            #peak  2414
 49 SER  HN     50 GLY  HA1     5.50            #peak  2415
 52 ASP- HB3    53 TYR  QD      5.50            #peak  2417
 52 ASP- HB2    53 TYR  QD      5.50            #peak  2418
 29 ILE  HG13   40 VAL  QG2     5.50            #peak  2422
 78 SER  HA     79 LEU  HB3     5.25            #peak  2423
 29 ILE  QD1    30 TYR  HN      5.50            #peak  2424
 29 ILE  QD1    44 LYS+ HB3     5.37            #peak  2425
 97 PHE  QD     97 PHE  HB2     5.41            #peak  2426
 97 PHE  QE     97 PHE  HB2     5.50            #peak  2427
 47 TYR  QD     47 TYR  HB2     5.50            #peak  2428
 47 TYR  QE     47 TYR  HB3     5.50            #peak  2429
 47 TYR  QE     47 TYR  HB2     5.50            #peak  2430
 46 PHE  QD     46 PHE  HB3     5.50            #peak  2431
 46 PHE  QD     46 PHE  HB2     5.50            #peak  2432
 46 PHE  QE     46 PHE  HB2     5.50            #peak  2433
 46 PHE  QE     46 PHE  HB3     5.50            #peak  2434
 12 PHE  QD     37 VAL  QG2     4.96            #peak  2435
 12 PHE  QE     37 VAL  QG2     5.50            #peak  2436
 37 VAL  QG2   104 VAL  QG2     4.97            #peak  2437
 19 GLN  HA     20 TYR  HN      5.22            #peak  2438
 19 GLN  HA     21 ASN  HD21    5.50            #peak  2439
 39 ASP- HN     40 VAL  QG1     5.50            #peak  2440
 40 VAL  QG1    42 THR  HN      5.50            #peak  2441
 36 ARG+ HB2    36 ARG+ HG2     4.96            #peak  2442
 36 ARG+ HB3    36 ARG+ HD3     5.50            #peak  2443
 36 ARG+ HA     36 ARG+ HB2     5.50            #peak  2444
 36 ARG+ HB3    38 PHE  QE      5.50            #peak  2445
 36 ARG+ HB3    38 PHE  QD      5.50            #peak  2446
 36 ARG+ HB3    37 VAL  HN      5.50            #peak  2448
 36 ARG+ HB3    36 ARG+ HG3     5.44            #peak  2451
 36 ARG+ HB3   103 VAL  QG2     5.50            #peak  2452
 36 ARG+ HB3   103 VAL  QG1     5.50            #peak  2453
 31 VAL  HA     61 ALA  QB      5.50            #peak  2454
 47 TYR  HA     57 ALA  QB      5.50            #peak  2455
 29 ILE  QG2    47 TYR  HA      5.50            #peak  2456
 40 VAL  QG2    47 TYR  HA      5.50            #peak  2457
 87 ILE  QG2    87 ILE  HG12    4.58            #peak  2458
 87 ILE  QG2    87 ILE  HG13    4.55            #peak  2459
 86 GLU- HB3    87 ILE  QG2     5.50            #peak  2460
 87 ILE  QG2    88 ASN  HB2     5.50            #peak  2462
 87 ILE  QG2    87 ILE  QD1     3.60            #peak  2463
 87 ILE  QG2    88 ASN  HA      5.49            #peak  2464
 87 ILE  QG2    91 ASN  HD21    4.77            #peak  2465
 87 ILE  QG2    91 ASN  HD22    4.87            #peak  2466
 87 ILE  QG2    88 ASN  HN      5.02            #peak  2467
 87 ILE  HN     87 ILE  QG2     4.92            #peak  2468
 33 ILE  QG2    34 LYS+ HG3     4.80            #peak  2469
 33 ILE  QG2    93 TRP  HA      5.50            #peak  2471
 33 ILE  QG2    93 TRP  HB3     5.50            #peak  2472
 84 GLU- HG2    87 ILE  QD1     5.50            #peak  2473
 13 THR  HB    109 SER  HA      5.50            #peak  2474
 67 LYS+ HD3    67 LYS+ HE2     5.50            #peak  2475
 67 LYS+ HD3    82 LEU  QD2     5.14            #peak  2476
 40 VAL  QG2    44 LYS+ HA      5.50            #peak  2477
 32 ALA  HA     38 PHE  QD      5.50            #peak  2479
 32 ALA  HA     61 ALA  HN      5.50            #peak  2482
 32 ALA  HA     38 PHE  QE      5.50            #peak  2483
 31 VAL  HN     32 ALA  HA      5.50            #peak  2484
 32 ALA  HA     37 VAL  QG1     5.50            #peak  2488
 32 ALA  HA     33 ILE  QG2     5.50            #peak  2490
 32 ALA  HA     37 VAL  QG2     5.50            #peak  2492
 78 SER  HB3    79 LEU  QD2     4.59            #peak  2493
 93 TRP  HA     96 LYS+ HD2     5.50            #peak  2495
 65 LEU  QD1    93 TRP  HA      5.50            #peak  2496
 40 VAL  QG1    47 TYR  HN      5.50            #peak  2498
 40 VAL  QG2    47 TYR  HN      5.47            #peak  2499
 95 THR  HA     98 GLU- HG2     5.50            #peak  2501
 95 THR  HA     95 THR  HB      4.31            #peak  2502
 95 THR  HA     99 ALA  HN      5.50            #peak  2503
 33 ILE  HA     33 ILE  HG12    5.49            #peak  2504
 32 ALA  HA     33 ILE  HA      5.50            #peak  2505
 94 GLU- HB3    94 GLU- HG3     5.24            #peak  2506
 94 GLU- HB2    94 GLU- HG3     5.26            #peak  2507
 33 ILE  QG2    94 GLU- HG2     5.50            #peak  2508
 19 GLN  HN     19 GLN  HG3     4.89            #peak  2510
 56 PHE  HB3    75 VAL  QG1     5.50            #peak  2514
 31 VAL  HB     56 PHE  HB3     5.50            #peak  2515
 47 TYR  QE     53 TYR  HB3     5.50            #peak  2521
 47 TYR  QD     53 TYR  HB3     5.50            #peak  2522
 53 TYR  QD     53 TYR  HB3     5.50            #peak  2523
 53 TYR  QE     53 TYR  HB3     5.50            #peak  2524
 53 TYR  QD     53 TYR  HB2     5.50            #peak  2525
 47 TYR  HA     53 TYR  HB3     5.50            #peak  2526
 71 ASN  HB2    73 GLU- HG3     5.50            #peak  2529
 71 ASN  HB2    73 GLU- HB2     5.50            #peak  2530
 71 ASN  HB2    72 GLU- HB2     5.50            #peak  2531
 87 ILE  QG2    88 ASN  HB3     5.50            #peak  2532
 70 LYS+ HN     70 LYS+ HB2     5.38            #peak  2535
 34 LYS+ HB2    34 LYS+ HG2     5.28            #peak  2540
 65 LEU  HG     93 TRP  HB3     5.50            #peak  2542
 65 LEU  HG     93 TRP  HB2     5.50            #peak  2543
 25 GLU- HN     25 GLU- HB2     4.78            #peak  2544
 84 GLU- HA     87 ILE  HG13    5.42            #peak  2545
 30 TYR  HA     31 VAL  QG1     5.50            #peak  2547
 31 VAL  QG1    47 TYR  QD      5.50            #peak  2548
 31 VAL  QG1    56 PHE  QD      5.50            #peak  2549
 31 VAL  QG1    56 PHE  QE      5.50            #peak  2550
 31 VAL  QG1    47 TYR  QE      5.50            #peak  2551
 24 ASP- HB2    27 LYS+ HB2     5.50            #peak  2552
 20 TYR  QE     27 LYS+ HB2     5.50            #peak  2553
 20 TYR  QD     27 LYS+ HB2     5.50            #peak  2554
 22 GLY  HA1    57 ALA  QB      5.50            #peak  2556
 23 THR  QG2    23 THR  HB      4.11            #peak  2557
 23 THR  HB     24 ASP- HA      5.50            #peak  2558
 22 GLY  HA1    23 THR  HB      5.50            #peak  2559
 17 LEU  QD2    32 ALA  QB      4.11            #peak  2560
 33 ILE  QG2    34 LYS+ HG2     4.76            #peak  2561
 34 LYS+ HG2    79 LEU  QD1     5.50            #peak  2562
 60 ASP- HB3    77 PRO  HG2     5.50            #peak  2565
 77 PRO  HG2    78 SER  HN      5.50            #peak  2566
 13 THR  QG2   108 VAL  HB      5.50            #peak  2567
 33 ILE  QG2    38 PHE  QE      5.40            #peak  2568
 33 ILE  QG2    38 PHE  QD      5.50            #peak  2569
 47 TYR  QD     54 SER  HA      5.50            #peak  2572
 54 SER  HA     55 MET  HA      5.50            #peak  2573
 70 LYS+ HB2    70 LYS+ HD3     4.02            #peak  2576
 33 ILE  QD1    93 TRP  HB3     5.50            #peak  2578
 90 LEU  HG     93 TRP  HB3     5.50            #peak  2579
 90 LEU  QD1    93 TRP  HB3     5.50            #peak  2580
 55 MET  HB2    55 MET  HG3     5.11            #peak  2581
 55 MET  HB2    75 VAL  QG2     5.50            #peak  2582
 33 ILE  HG13   61 ALA  QB      5.50            #peak  2583
 33 ILE  QD1    93 TRP  HA      5.50            #peak  2584
 82 LEU  HN     87 ILE  HG13    5.50            #peak  2585
 66 GLY  HA2    89 THR  HN      5.50            #peak  2586
 69 SER  HA     70 LYS+ HD3     5.50            #peak  2587
 67 LYS+ HN     67 LYS+ HD3     5.50            #peak  2588
 63 ARG+ HG3    67 LYS+ HN      5.50            #peak  2589
 63 ARG+ HG3    64 ALA  HN      5.50            #peak  2590
 67 LYS+ HA     67 LYS+ HD2     5.50            #peak  2592
 63 ARG+ HA     63 ARG+ HG3     5.50            #peak  2594
 63 ARG+ HG2    64 ALA  HN      5.50            #peak  2595
 67 LYS+ HA     67 LYS+ HG2     4.94            #peak  2596
 63 ARG+ HG3    64 ALA  HA      5.50            #peak  2597
 67 LYS+ HD2    82 LEU  QD2     5.48            #peak  2598
 67 LYS+ HD2    82 LEU  QD1     5.18            #peak  2599
 13 THR  QG2    16 GLN  HE22    5.50            #peak  2600
 13 THR  QG2    16 GLN  HE21    5.50            #peak  2601
 59 LYS+ HG2    59 LYS+ HD3     3.78            #peak  2602
 29 ILE  HA     40 VAL  QG2     5.50            #peak  2603
 29 ILE  HA     29 ILE  QG2     4.31            #peak  2604
 29 ILE  HA     29 ILE  QD1     5.35            #peak  2605
 29 ILE  HA     29 ILE  HB      5.50            #peak  2606
 29 ILE  HA     29 ILE  HG12    5.50            #peak  2607
 20 TYR  HB2    29 ILE  HA      5.50            #peak  2608
 29 ILE  HG13   44 LYS+ HG3     5.50            #peak  2609
 15 GLU- HA     15 GLU- HB2     4.55            #peak  2610
 15 GLU- HA     18 SER  HN      5.50            #peak  2611
 13 THR  HB     14 ALA  QB      5.50            #peak  2612
 14 ALA  QB     15 GLU- HG2     5.50            #peak  2613
 14 ALA  QB     17 LEU  HB2     5.31            #peak  2614
 14 ALA  QB     16 GLN  HN      5.50            #peak  2615
 13 THR  HA     14 ALA  HA      5.50            #peak  2616
 13 THR  HB     14 ALA  HA      5.50            #peak  2617
 10 GLU- HG3    12 PHE  QD      5.50            #peak  2618
 10 GLU- HG2    12 PHE  QD      5.50            #peak  2619
 30 TYR  HA     30 TYR  QE      5.50            #peak  2622
 30 TYR  HA     30 TYR  QD      5.50            #peak  2623
 64 ALA  QB     66 GLY  HN      5.50            #peak  2624
 96 LYS+ HA     96 LYS+ HB2     4.57            #peak  2625
 36 ARG+ HA    103 VAL  QG2     5.34            #peak  2626
 98 GLU- HA    103 VAL  QG2     5.50            #peak  2627
 29 ILE  QG2    40 VAL  QG1     5.50            #peak  2628
 82 LEU  HA     82 LEU  QD1     5.50            #peak  2629
 82 LEU  HA     82 LEU  HB3     5.50            #peak  2630
 70 LYS+ HB2    70 LYS+ HE3     5.01            #peak  2632
 56 PHE  QE     70 LYS+ HE3     5.50            #peak  2633
 56 PHE  QE     70 LYS+ HG2     5.50            #peak  2634
 71 ASN  HA     72 GLU- HG2     5.50            #peak  2635
 72 GLU- HB2    72 GLU- HG2     3.17            #peak  2636
 72 GLU- HG2    75 VAL  QG2     5.50            #peak  2637
 33 ILE  QG2    94 GLU- HG3     5.50            #peak  2638
 76 SER  HB3    78 SER  HB2     5.50            #peak  2639
 80 GLU- HA     81 GLY  HA1     5.50            #peak  2640
 17 LEU  HA     20 TYR  QD      5.22            #peak  2641
 12 PHE  QE     17 LEU  HA      5.47            #peak  2642
 17 LEU  HA     20 TYR  QE      5.47            #peak  2643
 81 GLY  HA1    81 GLY  HA2     4.16            #peak  2644
 80 GLU- HG3    81 GLY  HA2     5.50            #peak  2645
 80 GLU- HB2    81 GLY  HA1     5.50            #peak  2646
 80 GLU- HG3    81 GLY  HA1     5.50            #peak  2647
 82 LEU  HN     82 LEU  HB2     5.50            #peak  2648
 82 LEU  HA     82 LEU  HB2     5.50            #peak  2649
 82 LEU  HB2    87 ILE  HG12    5.50            #peak  2650
 82 LEU  HB3    87 ILE  HG12    5.50            #peak  2651
 82 LEU  HB2    82 LEU  QD2     4.73            #peak  2652
 82 LEU  HB2    86 GLU- HB3     5.50            #peak  2653
 82 LEU  HB3    86 GLU- HB3     5.50            #peak  2654
 82 LEU  HB2    83 THR  HN      5.50            #peak  2655
 82 LEU  HB2    83 THR  HA      5.50            #peak  2657
 65 LEU  HB2    93 TRP  HD1     5.50            #peak  2658
 90 LEU  HA     91 ASN  HN      5.18            #peak  2660
 70 LYS+ HA     70 LYS+ HG2     5.50            #peak  2661
 91 ASN  HB2    92 ASP- HN      5.50            #peak  2663
 91 ASN  HB2    91 ASN  HD22    5.22            #peak  2664
 91 ASN  HB2    91 ASN  HD21    5.50            #peak  2666
 91 ASN  HA     91 ASN  HB2     4.87            #peak  2668
 91 ASN  HA     91 ASN  HB3     5.02            #peak  2669
 92 ASP- HA     95 THR  HB      5.12            #peak  2671
 33 ILE  QD1    97 PHE  HB3     5.50            #peak  2672
 96 LYS+ HA     96 LYS+ HE3     5.50            #peak  2673
 34 LYS+ HB3    34 LYS+ HB2     4.58            #peak  2674
100 LYS+ HN    100 LYS+ HG3     5.47            #peak  2675
100 LYS+ HG3   101 TYR  HN      5.50            #peak  2676
100 LYS+ HG3   100 LYS+ HE2     5.50            #peak  2677
100 LYS+ HA    100 LYS+ HG3     5.14            #peak  2678
100 LYS+ HG3   100 LYS+ HD2     4.47            #peak  2679
 99 ALA  QB    100 LYS+ HG3     5.50            #peak  2680
 51 GLY  HA1    52 ASP- HB3     5.50            #peak  2682
 29 ILE  HB     40 VAL  HN      5.50            #peak  2684
 28 PRO  HA     29 ILE  HB      5.50            #peak  2687
 29 ILE  HB     41 THR  HB      5.50            #peak  2688
 20 TYR  QE     28 PRO  HG3     5.50            #peak  2689
 20 TYR  QD     28 PRO  HG2     5.50            #peak  2690
 20 TYR  QE     28 PRO  HG2     5.50            #peak  2691
 37 VAL  QG1   104 VAL  QG1     5.50            #peak  2692
103 VAL  HA    104 VAL  QG1     5.50            #peak  2693
 59 LYS+ HD3    75 VAL  HB      5.50            #peak  2694
 72 GLU- HA     72 GLU- HG2     4.54            #peak  2695
 84 GLU- HA     84 GLU- HB3     4.56            #peak  2696
 25 GLU- HB3    25 GLU- HG3     3.42            #peak  2697
 84 GLU- HA     84 GLU- HG3     5.04            #peak  2698
 16 GLN  HA     16 GLN  HB3     5.50            #peak  2699
 41 THR  HB     42 THR  QG2     5.38            #peak  2701
 41 THR  QG2    44 LYS+ HE3     5.38            #peak  2703
 43 GLY  HA1    46 PHE  QE      5.50            #peak  2705
 43 GLY  HA1    47 TYR  QD      5.50            #peak  2706
 43 GLY  HA1    47 TYR  HN      5.50            #peak  2707
 43 GLY  HA1    47 TYR  QE      5.50            #peak  2708
 59 LYS+ HG2    59 LYS+ HE3     4.78            #peak  2710
 44 LYS+ HA     44 LYS+ HE3     5.50            #peak  2712
 34 LYS+ HB2    34 LYS+ HG3     5.50            #peak  2715
 67 LYS+ HA     67 LYS+ HD3     5.50            #peak  2717
 67 LYS+ HD2    67 LYS+ HE2     5.50            #peak  2718
 67 LYS+ HB3    67 LYS+ HD2     5.21            #peak  2719
 44 LYS+ HA     44 LYS+ HD3     5.50            #peak  2720
 29 ILE  QD1    44 LYS+ HD3     5.20            #peak  2721
 29 ILE  QG2    40 VAL  HB      5.41            #peak  2723
 77 PRO  HG2    78 SER  HB3     5.50            #peak  2724
 65 LEU  HA     68 MET  HG2     5.50            #peak  2725
 80 GLU- HA     82 LEU  QD1     5.50            #peak  2726
 80 GLU- HG3    82 LEU  QD1     5.50            #peak  2727
 54 SER  HB2    57 ALA  QB      5.50            #peak  2728
 54 SER  HB3    57 ALA  QB      5.50            #peak  2729
 55 MET  HG2    70 LYS+ HB2     5.17            #peak  2730
 18 SER  HB2    19 GLN  HG2     5.50            #peak  2731
 22 GLY  HN     23 THR  HA      5.50            #peak  2732
 23 THR  HA     26 SER  HN      5.50            #peak  2733
 40 VAL  HB     47 TYR  QD      5.50            #peak  2736
 40 VAL  HB     47 TYR  QE      5.50            #peak  2737
 45 SER  HA     45 SER  HB3     4.65            #peak  2739
108 VAL  HA    109 SER  HA      5.50            #peak  2740
 44 LYS+ HN     44 LYS+ HD3     5.48            #peak  2741
 31 VAL  QG2   101 TYR  QD      5.37            #peak  2744
 31 VAL  QG2   101 TYR  QE      5.42            #peak  2745
 31 VAL  QG2    65 LEU  QD1     5.50            #peak  2746
 31 VAL  QG1    65 LEU  QD1     5.50            #peak  2747
 33 ILE  HB     38 PHE  QE      5.15            #peak  2748
 40 VAL  QG2   101 TYR  QE      5.50            #peak  2751
 44 LYS+ HB2    48 GLY  HN      5.50            #peak  2752
 44 LYS+ HG2    44 LYS+ HD2     3.91            #peak  2756
 29 ILE  QG2    41 THR  HN      5.50            #peak  2757
 40 VAL  QG2    57 ALA  HA      5.50            #peak  2758
 75 VAL  QG2    76 SER  HB2     5.50            #peak  2759
 63 ARG+ HB2    76 SER  HB3     5.50            #peak  2760
 63 ARG+ HB3    76 SER  HB3     5.50            #peak  2761
 63 ARG+ HB3    76 SER  HB2     5.50            #peak  2762
 63 ARG+ HA     63 ARG+ HB3     5.50            #peak  2764
 93 TRP  HA     96 LYS+ HN      5.50            #peak  2765
 41 THR  HA     44 LYS+ HB2     5.50            #peak  2766
 44 LYS+ HA     44 LYS+ HB2     4.50            #peak  2767
 44 LYS+ HA     47 TYR  HB2     5.50            #peak  2768
 44 LYS+ HG3    44 LYS+ HD2     4.16            #peak  2769
 44 LYS+ HG3    48 GLY  HA2     5.50            #peak  2772
 44 LYS+ HG2    48 GLY  HA2     5.50            #peak  2773
 44 LYS+ HG3    49 SER  HN      5.50            #peak  2774
 87 ILE  HN     88 ASN  HA      5.50            #peak     3
 86 GLU- HA     87 ILE  HN      5.50            #peak     6
 11 GLU- HN     11 GLU- HA      5.50            #peak     9
101 TYR  HN    101 TYR  HB3     5.50            #peak    12
 86 GLU- HN     87 ILE  HN      4.98            #peak    14
 87 ILE  HN     90 LEU  QD2     5.37            #peak    18
 10 GLU- HB2    11 GLU- HN      5.21            #peak    19
 86 GLU- HN     86 GLU- HG3     5.00            #peak    20
 83 THR  HB     86 GLU- HN      5.50            #peak    21
 83 THR  QG2    86 GLU- HN      5.50            #peak    22
 86 GLU- HN     86 GLU- HB2     5.31            #peak    23
 85 LYS+ HD2    86 GLU- HN      5.50            #peak    24
 11 GLU- HN     11 GLU- HB2     4.85            #peak    25
 87 ILE  HN     87 ILE  HB      4.69            #peak    26
 86 GLU- HB3    87 ILE  HN      5.50            #peak    27
 11 GLU- HN     11 GLU- HG2     5.18            #peak    28
 10 GLU- HG3    11 GLU- HN      5.50            #peak    29
 86 GLU- HB2    87 ILE  HN      5.15            #peak    32
 82 LEU  HB3    87 ILE  HN      5.50            #peak    33
 74 ASP- HB3    75 VAL  HN      5.50            #peak    34
 82 LEU  HN     82 LEU  QD2     4.69            #peak    35
 82 LEU  HN     82 LEU  HB3     4.48            #peak    36
 82 LEU  HN     82 LEU  HG      4.71            #peak    37
105 GLY  HA1   106 ARG+ HN      5.14            #peak    41
105 GLY  HA2   106 ARG+ HN      5.04            #peak    42
106 ARG+ HN    106 ARG+ HG3     5.50            #peak    43
 73 GLU- HB2    75 VAL  HN      5.50            #peak    44
 72 GLU- HB2    75 VAL  HN      5.50            #peak    45
100 LYS+ HA    101 TYR  HN      5.34            #peak    46
100 LYS+ HB3   101 TYR  HN      5.50            #peak    47
106 ARG+ HN    106 ARG+ HA      5.50            #peak    49
101 TYR  HN    101 TYR  HA      5.50            #peak    50
100 LYS+ HN    101 TYR  HN      4.24            #peak    51
 80 GLU- HN     82 LEU  HN      5.50            #peak    54
 72 GLU- HA     75 VAL  HN      5.50            #peak    55
 74 ASP- HA     75 VAL  HN      5.50            #peak    58
 64 ALA  QB     75 VAL  HN      5.50            #peak    59
 52 ASP- HN     52 ASP- HB3     4.81            #peak    63
 51 GLY  HA1    52 ASP- HN      4.74            #peak    64
 80 GLU- HN     80 GLU- HB2     4.27            #peak    65
 44 LYS+ HN     44 LYS+ HG3     5.50            #peak    66
 40 VAL  HB     44 LYS+ HN      5.50            #peak    67
 44 LYS+ HN     44 LYS+ HD2     5.50            #peak    68
 44 LYS+ HN     44 LYS+ HB3     4.83            #peak    69
 44 LYS+ HN     44 LYS+ HB2     4.77            #peak    70
 79 LEU  HB3    80 GLU- HN      5.47            #peak    71
 52 ASP- HN     52 ASP- HA      4.33            #peak    73
 94 GLU- HA     97 PHE  HN      5.50            #peak    74
 96 LYS+ HG3    97 PHE  HN      5.50            #peak    75
 97 PHE  HN     97 PHE  HB2     5.23            #peak    76
 96 LYS+ HB2    97 PHE  HN      5.50            #peak    77
 96 LYS+ HB3    97 PHE  HN      5.50            #peak    78
 97 PHE  HN     97 PHE  HB3     4.86            #peak    79
 44 LYS+ HN     44 LYS+ HG2     5.50            #peak    80
 36 ARG+ HG2    37 VAL  HN      5.50            #peak    81
 36 ARG+ HB2    37 VAL  HN      5.50            #peak    82
 32 ALA  HA     37 VAL  HN      5.50            #peak    84
 78 SER  HB2    80 GLU- HN      5.50            #peak    86
 37 VAL  HN     37 VAL  HA      5.50            #peak    87
 13 THR  QG2    16 GLN  HN      5.50            #peak    88
 32 ALA  QB     36 ARG+ HN      5.50            #peak    89
 14 ALA  HA     16 GLN  HN      5.50            #peak    90
 78 SER  HA     80 GLU- HN      5.24            #peak    91
 41 THR  HA     44 LYS+ HN      5.50            #peak    92
 43 GLY  HA1    44 LYS+ HN      5.50            #peak    94
 42 THR  HA     44 LYS+ HN      5.50            #peak    95
 43 GLY  HA2    44 LYS+ HN      5.50            #peak    96
 29 ILE  QD1    44 LYS+ HN      5.50            #peak    97
 79 LEU  HA     80 GLU- HN      5.50            #peak    98
 36 ARG+ HN     36 ARG+ HG2     5.42            #peak    99
 79 LEU  HN     80 GLU- HN      4.49            #peak   103
 16 GLN  HN     16 GLN  HE21    5.50            #peak   104
 15 GLU- HB2    16 GLN  HN      5.30            #peak   108
 82 LEU  QD2    86 GLU- HN      5.50            #peak   109
 84 GLU- HA     86 GLU- HN      5.50            #peak   110
 86 GLU- HN     86 GLU- HA      5.31            #peak   111
 16 GLN  HN     16 GLN  HB2     5.47            #peak   112
 37 VAL  HN    106 ARG+ HA      5.50            #peak   113
 36 ARG+ HA     37 VAL  HN      4.84            #peak   114
 16 GLN  HN     16 GLN  HB3     4.59            #peak   116
 52 ASP- HN     53 TYR  HN      4.91            #peak   119
 97 PHE  HN     98 GLU- HN      4.89            #peak   121
 16 GLN  HN     17 LEU  HN      4.49            #peak   125
 43 GLY  HN     44 LYS+ HN      4.76            #peak   127
 44 LYS+ HN     45 SER  HN      5.36            #peak   128
 17 LEU  HN     17 LEU  HA      4.86            #peak   130
 16 GLN  HA     17 LEU  HN      5.50            #peak   131
 17 LEU  HN     17 LEU  HB3     5.08            #peak   135
 16 GLN  HB2    17 LEU  HN      5.50            #peak   136
 16 GLN  HG3    17 LEU  HN      5.40            #peak   137
 13 THR  QG2    17 LEU  HN      5.50            #peak   138
 17 LEU  HN     17 LEU  HB2     5.16            #peak   139
 39 ASP- HA     40 VAL  HN      5.01            #peak   140
 40 VAL  HN     40 VAL  HA      5.50            #peak   141
 94 GLU- HN     94 GLU- HB2     5.14            #peak   144
 86 GLU- HA     89 THR  HN      5.50            #peak   145
 88 ASN  HA     89 THR  HN      5.50            #peak   146
 89 THR  HN     89 THR  HB      5.50            #peak   147
 71 ASN  HN     71 ASN  HA      5.05            #peak   148
 69 SER  HB3    71 ASN  HN      5.50            #peak   150
 69 SER  HB2    71 ASN  HN      5.50            #peak   151
 31 VAL  HN     31 VAL  HB      5.01            #peak   152
 70 LYS+ HD3    71 ASN  HN      5.50            #peak   153
 94 GLU- HN     94 GLU- HG3     5.50            #peak   154
 93 TRP  HB2    94 GLU- HN      5.50            #peak   155
 94 GLU- HN     94 GLU- HG2     5.50            #peak   158
 93 TRP  HB3    94 GLU- HN      5.50            #peak   159
 93 TRP  HA     94 GLU- HN      5.50            #peak   160
 91 ASN  HA     94 GLU- HN      5.50            #peak   161
 87 ILE  HN     88 ASN  HN      4.81            #peak   163
 86 GLU- HN     88 ASN  HN      5.50            #peak   164
 63 ARG+ HN     64 ALA  HN      5.13            #peak   165
 85 LYS+ HN     88 ASN  HN      5.50            #peak   166
 63 ARG+ HN     66 GLY  HN      5.50            #peak   168
 87 ILE  HG12   88 ASN  HN      5.50            #peak   169
 87 ILE  HG13   88 ASN  HN      5.50            #peak   170
 87 ILE  HB     88 ASN  HN      5.06            #peak   171
 87 ILE  HA     88 ASN  HN      5.50            #peak   173
 84 GLU- HA     88 ASN  HN      5.50            #peak   174
 85 LYS+ HA     88 ASN  HN      5.50            #peak   175
 88 ASN  HN     88 ASN  HA      5.12            #peak   176
 63 ARG+ HN     63 ARG+ HB2     5.31            #peak   177
 63 ARG+ HN     63 ARG+ HG2     5.50            #peak   178
 63 ARG+ HN     63 ARG+ HG3     5.50            #peak   181
 63 ARG+ HN     63 ARG+ HA      4.94            #peak   182
 63 ARG+ HN     76 SER  HB2     5.50            #peak   183
 61 ALA  HA     63 ARG+ HN      5.50            #peak   184
 63 ARG+ HN     63 ARG+ HD2     5.50            #peak   185
 30 TYR  HA     31 VAL  HN      4.80            #peak   186
 64 ALA  HN     76 SER  HB3     5.50            #peak   187
 83 THR  HA     84 GLU- HN      4.51            #peak   190
 84 GLU- HN     84 GLU- HG2     5.50            #peak   191
 29 ILE  HN     41 THR  HA      5.50            #peak   192
 29 ILE  HN     29 ILE  HA      5.50            #peak   193
 93 TRP  HN     93 TRP  HB3     4.94            #peak   194
 11 GLU- HG3    12 PHE  HN      5.50            #peak   195
 84 GLU- HN     84 GLU- HB2     4.77            #peak   198
 82 LEU  HN     82 LEU  HA      5.50            #peak   199
 81 GLY  HN     82 LEU  HN      5.19            #peak   200
 64 ALA  HN     64 ALA  HA      5.43            #peak   201
 81 GLY  HA1    82 LEU  HN      5.50            #peak   202
 80 GLU- HA     82 LEU  HN      5.50            #peak   203
 81 GLY  HA2    82 LEU  HN      5.50            #peak   204
 93 TRP  HN     94 GLU- HN      4.65            #peak   206
 31 VAL  HN     40 VAL  HN      5.24            #peak   209
 63 ARG+ HA     64 ALA  HN      5.50            #peak   214
 61 ALA  HA     64 ALA  HN      5.50            #peak   215
 84 GLU- HN     86 GLU- HN      5.50            #peak   219
 64 ALA  HN     75 VAL  HA      5.50            #peak   220
 11 GLU- HA     12 PHE  HN      4.91            #peak   221
 12 PHE  HN     12 PHE  HA      5.44            #peak   222
 83 THR  HB     84 GLU- HN      4.96            #peak   223
 29 ILE  HN     41 THR  HB      5.50            #peak   224
 28 PRO  HA     29 ILE  HN      5.08            #peak   225
 93 TRP  HN     93 TRP  HA      5.03            #peak   226
 29 ILE  HN     29 ILE  HG13    5.50            #peak   227
 29 ILE  HN     29 ILE  HB      5.34            #peak   228
 28 PRO  HB2    29 ILE  HN      5.50            #peak   229
 71 ASN  HN     71 ASN  HB3     4.96            #peak   230
 93 TRP  HN     93 TRP  HB2     4.72            #peak   232
 88 ASN  HB2    89 THR  HN      5.28            #peak   233
 30 TYR  HB2    31 VAL  HN      5.50            #peak   234
 71 ASN  HN     71 ASN  HB2     4.65            #peak   235
 28 PRO  HG3    29 ILE  HN      5.50            #peak   236
 64 ALA  HN     75 VAL  QG2     5.50            #peak   237
 63 ARG+ HB2    64 ALA  HN      5.50            #peak   239
 28 PRO  HG2    29 ILE  HN      5.50            #peak   241
 28 PRO  HB3    29 ILE  HN      5.50            #peak   242
 64 ALA  HN     65 LEU  HB3     5.50            #peak   243
 64 ALA  HN     65 LEU  HG      5.50            #peak   244
 64 ALA  HN     67 LYS+ HG3     5.50            #peak   245
 90 LEU  HN     90 LEU  QD2     5.50            #peak   248
 90 LEU  HN     90 LEU  QD1     5.50            #peak   249
 90 LEU  HN     90 LEU  HB2     5.33            #peak   250
107 VAL  QG1   108 VAL  HN      5.50            #peak   252
 14 ALA  HN     15 GLU- HN      4.83            #peak   255
 66 GLY  HA1    90 LEU  HN      5.50            #peak   257
 89 THR  HB     90 LEU  HN      5.50            #peak   258
 90 LEU  HN     91 ASN  HB3     5.50            #peak   259
 90 LEU  HN     90 LEU  HB3     5.18            #peak   260
 90 LEU  HN     90 LEU  HA      5.04            #peak   262
 88 ASN  HA     90 LEU  HN      5.50            #peak   263
107 VAL  HA    108 VAL  HN      4.59            #peak   264
 71 ASN  HB2    72 GLU- HN      5.50            #peak   266
 71 ASN  HB3    72 GLU- HN      5.50            #peak   267
 71 ASN  HA     72 GLU- HN      4.43            #peak   269
108 VAL  HN    108 VAL  HA      5.50            #peak   271
 12 PHE  HB3   108 VAL  HN      5.50            #peak   272
107 VAL  HB    108 VAL  HN      5.50            #peak   273
 30 TYR  HN     58 GLY  HA2     5.50            #peak   274
 30 TYR  HN     30 TYR  HA      5.50            #peak   277
106 ARG+ HG2   107 VAL  HN      5.50            #peak   278
106 ARG+ HG3   107 VAL  HN      5.50            #peak   279
 29 ILE  HB     30 TYR  HN      5.50            #peak   281
 30 TYR  HN     31 VAL  QG2     5.50            #peak   282
 30 TYR  HN     57 ALA  QB      5.50            #peak   283
 29 ILE  HG12   30 TYR  HN      5.50            #peak   284
 30 TYR  HN     30 TYR  HB2     5.34            #peak   285
 66 GLY  HN     90 LEU  HN      5.50            #peak   288
 14 ALA  HN     16 GLN  HN      5.50            #peak   290
  9 LEU  HN      9 LEU  QD1     5.50            #peak   291
 13 THR  HB     14 ALA  HN      5.07            #peak   294
 13 THR  HA     14 ALA  HN      4.56            #peak   295
  9 LEU  HN      9 LEU  HG      5.32            #peak   296
  8 HIS  HA      9 LEU  HN      4.50            #peak   297
 30 TYR  HN     58 GLY  HN      5.50            #peak   298
  9 LEU  HN      9 LEU  HB3     5.50            #peak   299
  9 LEU  HN      9 LEU  HB2     5.21            #peak   300
  8 HIS  HB3     9 LEU  HN      5.48            #peak   301
  9 LEU  HN      9 LEU  HA      5.50            #peak   302
 60 ASP- HB2    61 ALA  HN      5.50            #peak   304
 32 ALA  HN     61 ALA  HN      5.50            #peak   308
 60 ASP- HB3    61 ALA  HN      5.50            #peak   312
 34 LYS+ HN     35 GLY  HN      5.50            #peak   314
 33 ILE  HN     34 LYS+ HN      5.50            #peak   315
 34 LYS+ HN     36 ARG+ HN      5.50            #peak   316
 56 PHE  HA     61 ALA  HN      5.50            #peak   318
 60 ASP- HA     61 ALA  HN      5.21            #peak   319
 61 ALA  HN     61 ALA  HA      5.50            #peak   320
 33 ILE  HA     61 ALA  HN      5.50            #peak   321
 32 ALA  HN     32 ALA  HA      5.50            #peak   322
 65 LEU  HA     93 TRP  HE1     5.50            #peak   323
 93 TRP  HB2    93 TRP  HE1     5.50            #peak   324
 90 LEU  HA     93 TRP  HE1     5.50            #peak   325
 93 TRP  HA     93 TRP  HE1     5.50            #peak   326
 93 TRP  HN     93 TRP  HE1     5.50            #peak   328
 32 ALA  HN     60 ASP- HA      5.50            #peak   329
 31 VAL  HA     32 ALA  HN      4.63            #peak   330
 32 ALA  HN     61 ALA  QB      5.50            #peak   331
 31 VAL  QG1    32 ALA  HN      5.50            #peak   332
 31 VAL  HB     32 ALA  HN      5.50            #peak   334
 34 LYS+ HN     36 ARG+ HG3     5.50            #peak   335
 24 ASP- HB2    25 GLU- HN      5.50            #peak   336
 24 ASP- HB3    25 GLU- HN      5.50            #peak   337
 25 GLU- HN     25 GLU- HG3     5.15            #peak   339
 38 PHE  HN     38 PHE  HB3     5.50            #peak   340
 37 VAL  HA     38 PHE  HN      4.83            #peak   341
 38 PHE  HN    103 VAL  HA      5.50            #peak   342
 38 PHE  HN     38 PHE  HB2     5.50            #peak   343
 32 ALA  HA     38 PHE  HN      5.50            #peak   345
 72 GLU- HN     74 ASP- HN      5.50            #peak   347
 38 PHE  HN     38 PHE  HA      5.50            #peak   349
 24 ASP- HA     25 GLU- HN      4.51            #peak   352
 79 LEU  HN     79 LEU  HA      5.50            #peak   353
 37 VAL  HN     38 PHE  HN      5.50            #peak   354
 31 VAL  HN     38 PHE  HN      5.50            #peak   355
 33 ILE  HB     34 LYS+ HN      5.50            #peak   357
 34 LYS+ HN     34 LYS+ HB3     5.50            #peak   358
 33 ILE  HA     34 LYS+ HN      4.70            #peak   359
 25 GLU- HN     25 GLU- HB3     4.91            #peak   360
 79 LEU  HN     79 LEU  QD1     5.50            #peak   361
 78 SER  HB2    79 LEU  HN      5.50            #peak   362
 32 ALA  QB     38 PHE  HN      5.50            #peak   365
 79 LEU  HN     79 LEU  HB3     4.92            #peak   367
 79 LEU  HN     79 LEU  HG      5.04            #peak   368
102 PRO  HA    103 VAL  HN      4.66            #peak   369
 24 ASP- HN     24 ASP- HA      5.50            #peak   370
 27 LYS+ HN     28 PRO  HD2     5.50            #peak   371
108 VAL  HN    109 SER  HN      5.32            #peak   374
108 VAL  HB    109 SER  HN      4.45            #peak   377
 25 GLU- HN     27 LYS+ HN      5.50            #peak   379
 91 ASN  HB3    92 ASP- HN      5.18            #peak   380
 19 GLN  HB2    20 TYR  HN      5.50            #peak   381
 19 GLN  HG2    20 TYR  HN      5.50            #peak   382
 27 LYS+ HN     27 LYS+ HE2     5.50            #peak   383
 18 SER  HA     20 TYR  HN      5.50            #peak   386
 20 TYR  HN     20 TYR  HB2     5.20            #peak   387
103 VAL  HN    103 VAL  HA      5.50            #peak   390
 23 THR  HB     24 ASP- HN      4.92            #peak   392
 24 ASP- HN     24 ASP- HB3     4.84            #peak   393
 70 LYS+ HN     70 LYS+ HG3     5.50            #peak   395
 70 LYS+ HN     70 LYS+ HG2     5.50            #peak   396
 70 LYS+ HN     70 LYS+ HD3     5.20            #peak   397
 69 SER  HB3    70 LYS+ HN      5.50            #peak   398
 36 ARG+ HN     36 ARG+ HB2     5.36            #peak   399
 38 PHE  HA    103 VAL  HN      5.50            #peak   400
 36 ARG+ HN     36 ARG+ HG3     5.50            #peak   401
 69 SER  HB2    70 LYS+ HN      5.50            #peak   402
 70 LYS+ HN     70 LYS+ HA      5.30            #peak   404
 69 SER  HA     70 LYS+ HN      4.75            #peak   405
 92 ASP- HN     92 ASP- HA      4.72            #peak   407
 36 ARG+ HN     36 ARG+ HD3     5.50            #peak   411
 35 GLY  HA2    36 ARG+ HN      5.50            #peak   412
 35 GLY  HA1    36 ARG+ HN      5.50            #peak   413
 32 ALA  HA     36 ARG+ HN      5.50            #peak   414
 90 LEU  HN     92 ASP- HN      5.50            #peak   415
 33 ILE  HN     36 ARG+ HN      5.11            #peak   416
 36 ARG+ HN     36 ARG+ HA      5.31            #peak   417
 96 LYS+ HN     97 PHE  HN      4.85            #peak   423
 20 TYR  HN     22 GLY  HN      5.50            #peak   424
106 ARG+ HA    107 VAL  HN      4.77            #peak   427
 63 ARG+ HB2    76 SER  HN      5.50            #peak   428
 75 VAL  HB     76 SER  HN      5.50            #peak   429
 61 ALA  HA     76 SER  HN      5.50            #peak   431
 76 SER  HN     76 SER  HA      5.50            #peak   432
 61 ALA  QB     76 SER  HN      5.50            #peak   435
107 VAL  HN    107 VAL  HA      5.50            #peak   437
 64 ALA  HN     76 SER  HN      5.50            #peak   438
 75 VAL  HN     76 SER  HN      5.50            #peak   439
 63 ARG+ HN     76 SER  HN      5.50            #peak   441
 96 LYS+ HN     96 LYS+ HB3     4.77            #peak   443
 96 LYS+ HN     96 LYS+ HB2     5.10            #peak   444
 19 GLN  HG3    20 TYR  HN      5.50            #peak   445
 24 ASP- HB3    27 LYS+ HN      5.50            #peak   446
 96 LYS+ HN     96 LYS+ HG2     5.02            #peak   447
 96 LYS+ HN     97 PHE  HB3     5.50            #peak   448
  9 LEU  HB3    10 GLU- HN      5.50            #peak   449
 10 GLU- HN     10 GLU- HB2     4.90            #peak   450
 96 LYS+ HN     96 LYS+ HG3     4.87            #peak   451
 26 SER  HA     27 LYS+ HN      5.50            #peak   453
 27 LYS+ HN     27 LYS+ HA      5.50            #peak   454
 27 LYS+ HN     27 LYS+ HG3     5.50            #peak   455
 27 LYS+ HN     27 LYS+ HG2     5.50            #peak   456
 27 LYS+ HN     27 LYS+ HB2     4.73            #peak   457
 24 ASP- HB2    27 LYS+ HN      5.50            #peak   458
 27 LYS+ HN     28 PRO  HD3     5.50            #peak   459
 96 LYS+ HN     96 LYS+ HE3     5.50            #peak   461
 41 THR  HN     41 THR  HB      5.24            #peak   462
 39 ASP- HA     41 THR  HN      5.50            #peak   463
 19 GLN  HN     20 TYR  HN      4.44            #peak   466
 26 SER  HN     27 LYS+ HN      4.32            #peak   467
 41 THR  HN     41 THR  HA      5.50            #peak   468
 29 ILE  HB     41 THR  HN      5.50            #peak   469
 17 LEU  HA     20 TYR  HN      5.50            #peak   470
 20 TYR  HN     20 TYR  HA      5.31            #peak   471
  9 LEU  QD1    10 GLU- HN      5.50            #peak   472
 94 GLU- HA     96 LYS+ HN      5.50            #peak   473
 41 THR  HN     42 THR  QG2     5.50            #peak   475
 95 THR  HB     96 LYS+ HN      4.54            #peak   478
 68 MET  HB2    69 SER  HN      5.50            #peak   479
 68 MET  HG2    69 SER  HN      5.50            #peak   480
 69 SER  HN     69 SER  HB2     4.98            #peak   482
 68 MET  HA     69 SER  HN      4.83            #peak   483
 67 LYS+ HB3    69 SER  HN      5.50            #peak   484
 67 LYS+ HG2    69 SER  HN      5.50            #peak   485
 12 PHE  HA     13 THR  HN      4.45            #peak   486
 69 SER  HN     70 LYS+ HG3     5.50            #peak   487
 67 LYS+ HG3    69 SER  HN      5.50            #peak   488
 67 LYS+ HB2    69 SER  HN      5.50            #peak   489
 13 THR  HN     13 THR  QG2     4.76            #peak   490
 69 SER  HN     69 SER  HA      5.50            #peak   491
 13 THR  HN     16 GLN  HG3     5.01            #peak   492
 47 TYR  HN     49 SER  HN      5.50            #peak   494
 49 SER  HN     49 SER  HB2     4.20            #peak   495
 45 SER  HA     49 SER  HN      5.50            #peak   496
 48 GLY  HA2    49 SER  HN      4.57            #peak   498
 81 GLY  HN     82 LEU  HB3     5.50            #peak   499
 49 SER  HN     51 GLY  HA1     5.50            #peak   500
 13 THR  HN     16 GLN  HB2     5.50            #peak   501
 13 THR  HN     13 THR  HB      5.50            #peak   502
 23 THR  HN     24 ASP- HN      4.32            #peak   504
 22 GLY  HN     23 THR  HN      4.83            #peak   507
 23 THR  HN     23 THR  HA      4.38            #peak   510
 13 THR  HN     16 GLN  HN      5.50            #peak   513
 13 THR  HN     14 ALA  HN      5.50            #peak   514
 95 THR  HN     97 PHE  HN      5.50            #peak   515
 94 GLU- HN     95 THR  HN      4.84            #peak   516
 94 GLU- HG2    95 THR  HN      5.50            #peak   518
 95 THR  HN     95 THR  HB      4.47            #peak   520
 95 THR  HN     98 GLU- HB3     5.50            #peak   521
 92 ASP- HA     95 THR  HN      5.35            #peak   522
 94 GLU- HB2    95 THR  HN      5.50            #peak   523
 94 GLU- HG3    95 THR  HN      5.50            #peak   524
 94 GLU- HB3    95 THR  HN      5.34            #peak   525
 94 GLU- HA     95 THR  HN      5.50            #peak   526
 26 SER  HN     26 SER  HA      4.89            #peak   528
 24 ASP- HA     26 SER  HN      5.50            #peak   529
 26 SER  HN     26 SER  HB2     5.02            #peak   530
 25 GLU- HB3    26 SER  HN      5.50            #peak   531
 25 GLU- HB2    26 SER  HN      5.50            #peak   532
 25 GLU- HG3    26 SER  HN      5.50            #peak   533
 83 THR  HN     86 GLU- HB2     5.50            #peak   534
 82 LEU  HB3    83 THR  HN      5.42            #peak   535
 83 THR  HN     86 GLU- HB3     5.38            #peak   536
 83 THR  HN     83 THR  HA      5.50            #peak   537
 82 LEU  HA     83 THR  HN      5.03            #peak   538
 24 ASP- HB3    26 SER  HN      5.50            #peak   540
 83 THR  HN     87 ILE  HG12    5.50            #peak   542
 81 GLY  HN     81 GLY  HA2     5.30            #peak   544
 80 GLU- HB2    81 GLY  HN      5.50            #peak   545
 53 TYR  HN     54 SER  HN      4.58            #peak   549
 80 GLU- HN     81 GLY  HN      5.50            #peak   550
 45 SER  HA     47 TYR  HN      5.50            #peak   551
 46 PHE  HA     47 TYR  HN      5.50            #peak   553
 53 TYR  HN     53 TYR  HA      5.50            #peak   559
 52 ASP- HB2    53 TYR  HN      5.04            #peak   561
 51 GLY  HA1    53 TYR  HN      5.50            #peak   562
 53 TYR  HN     54 SER  HB3     5.50            #peak   563
 52 ASP- HB3    53 TYR  HN      5.50            #peak   565
 50 GLY  HA1    51 GLY  HN      5.50            #peak   566
 51 GLY  HN     51 GLY  HA2     4.65            #peak   567
 51 GLY  HN     54 SER  HB3     5.50            #peak   568
 51 GLY  HN     52 ASP- HN      5.50            #peak   569
 49 SER  HN     51 GLY  HN      5.50            #peak   570
 51 GLY  HN     53 TYR  HN      5.50            #peak   571
 51 GLY  HN     51 GLY  HA1     4.87            #peak   572
 21 ASN  HB2    22 GLY  HN      5.50            #peak   573
 21 ASN  HA     22 GLY  HN      5.50            #peak   574
 22 GLY  HN     24 ASP- HN      5.50            #peak   575
 20 TYR  HA     22 GLY  HN      5.50            #peak   578
 21 ASN  HB3    22 GLY  HN      5.50            #peak   579
 22 GLY  HN     22 GLY  HA2     5.04            #peak   580
 50 GLY  HN     51 GLY  HN      5.17            #peak   581
 18 SER  HN     20 TYR  HN      5.50            #peak   582
 17 LEU  HN     18 SER  HN      4.92            #peak   583
 65 LEU  HN     66 GLY  HN      5.01            #peak   584
 64 ALA  HN     66 GLY  HN      5.50            #peak   585
 65 LEU  HB2    66 GLY  HN      5.50            #peak   586
 65 LEU  HB3    66 GLY  HN      5.50            #peak   588
 48 GLY  HN     49 SER  HN      5.50            #peak   590
 66 GLY  HN     82 LEU  QD1     5.50            #peak   592
 66 GLY  HN     90 LEU  HB2     5.50            #peak   597
 64 ALA  HA     66 GLY  HN      5.50            #peak   600
 44 LYS+ HN     48 GLY  HN      5.50            #peak   602
105 GLY  HN    106 ARG+ HN      5.50            #peak   603
105 GLY  HN    105 GLY  HA1     5.50            #peak   605
105 GLY  HN    105 GLY  HA2     5.36            #peak   606
 38 PHE  HA    105 GLY  HN      5.50            #peak   607
104 VAL  HN    105 GLY  HN      4.78            #peak   608
104 VAL  HB    105 GLY  HN      5.50            #peak   609
103 VAL  QG2   105 GLY  HN      5.50            #peak   610
103 VAL  QG1   105 GLY  HN      5.17            #peak   611
 37 VAL  HN    105 GLY  HN      5.50            #peak   613
 48 GLY  HN     48 GLY  HA2     5.17            #peak   614
 45 SER  HA     48 GLY  HN      5.50            #peak   615
 47 TYR  HB3    48 GLY  HN      5.50            #peak   616
 47 TYR  HN     48 GLY  HN      4.84            #peak   617
 44 LYS+ HD3    48 GLY  HN      5.50            #peak   619
 44 LYS+ HG3    48 GLY  HN      5.50            #peak   620
 47 TYR  HB2    48 GLY  HN      5.50            #peak   621
 18 SER  HN     18 SER  HB2     4.53            #peak   622
 78 SER  HN     78 SER  HB2     4.58            #peak   623
 77 PRO  HD3    78 SER  HN      5.33            #peak   624
 77 PRO  HB3    78 SER  HN      5.42            #peak   625
 76 SER  HA     78 SER  HN      5.50            #peak   627
 58 GLY  HN     59 LYS+ HB3     5.50            #peak   630
 40 VAL  HB     43 GLY  HN      5.50            #peak   632
 42 THR  QG2    43 GLY  HN      5.50            #peak   635
 77 PRO  HA     78 SER  HN      5.50            #peak   637
 42 THR  HB     43 GLY  HN      5.50            #peak   638
 42 THR  HA     43 GLY  HN      5.50            #peak   639
 43 GLY  HN     43 GLY  HA2     5.22            #peak   640
 78 SER  HN     79 LEU  HN      5.50            #peak   642
 42 THR  HN     42 THR  HB      5.50            #peak   643
 18 SER  HN     18 SER  HA      5.50            #peak   644
 17 LEU  QD1    18 SER  HN      5.50            #peak   645
 42 THR  HN     42 THR  HA      4.98            #peak   646
 41 THR  HA     42 THR  HN      5.50            #peak   647
 40 VAL  HA     42 THR  HN      5.50            #peak   648
 41 THR  HB     42 THR  HN      5.18            #peak   649
 17 LEU  HB2    18 SER  HN      5.50            #peak   650
 17 LEU  HG     18 SER  HN      5.50            #peak   651
 17 LEU  HB3    18 SER  HN      5.50            #peak   652
 31 VAL  HA     58 GLY  HN      5.50            #peak   654
 21 ASN  HA     58 GLY  HN      5.50            #peak   655
 58 GLY  HN     58 GLY  HA2     5.50            #peak   660
 42 THR  HN     44 LYS+ HN      5.50            #peak   661
 41 THR  QG2    42 THR  HN      5.50            #peak   663
 42 THR  HN     43 GLY  HN      4.91            #peak   664
 66 GLY  HA2    67 LYS+ HN      5.50            #peak   665
 65 LEU  HN     65 LEU  HA      5.01            #peak   666
 65 LEU  HN     90 LEU  HA      5.50            #peak   667
 61 ALA  HA     65 LEU  HN      5.50            #peak   668
 84 GLU- HA     85 LYS+ HN      5.50            #peak   669
 85 LYS+ HN     86 GLU- HN      4.84            #peak   671
 54 SER  HA     57 ALA  HN      5.50            #peak   672
 56 PHE  HA     57 ALA  HN      5.50            #peak   673
 99 ALA  HN    100 LYS+ HD2     5.50            #peak   674
 97 PHE  HB2    99 ALA  HN      5.50            #peak   676
 98 GLU- HB2    99 ALA  HN      5.50            #peak   677
 99 ALA  HN    100 LYS+ HB3     5.50            #peak   679
 83 THR  HB     85 LYS+ HN      5.50            #peak   680
 55 MET  HN     57 ALA  HN      5.50            #peak   681
 84 GLU- HN     85 LYS+ HN      4.83            #peak   683
 65 LEU  HN     65 LEU  HB3     5.04            #peak   684
 64 ALA  QB     68 MET  HN      5.50            #peak   685
 65 LEU  HN     65 LEU  HB2     5.31            #peak   687
 65 LEU  HN     65 LEU  HG      5.04            #peak   688
 65 LEU  HN     90 LEU  QD1     5.50            #peak   689
 85 LYS+ HN     85 LYS+ HE2     5.50            #peak   690
 64 ALA  HN     65 LEU  HN      4.92            #peak   692
 85 LYS+ HN     87 ILE  HN      5.50            #peak   693
 85 LYS+ HN     85 LYS+ HG3     5.50            #peak   695
 85 LYS+ HN     85 LYS+ HB2     4.56            #peak   697
 84 GLU- HB3    85 LYS+ HN      5.04            #peak   698
 84 GLU- HG2    85 LYS+ HN      5.50            #peak   699
 98 GLU- HG3    99 ALA  HN      5.50            #peak   700
 59 LYS+ HB2    60 ASP- HN      5.24            #peak   701
 60 ASP- HN     60 ASP- HB2     5.18            #peak   702
 59 LYS+ HD3    60 ASP- HN      5.08            #peak   704
 59 LYS+ HA     60 ASP- HN      4.46            #peak   705
 60 ASP- HN     60 ASP- HA      5.50            #peak   706
 71 ASN  HN     73 GLU- HN      5.50            #peak   709
 72 GLU- HG2    73 GLU- HN      5.50            #peak   713
 68 MET  HN     69 SER  HB2     5.50            #peak   714
 67 LYS+ HA     68 MET  HN      5.50            #peak   715
 68 MET  HN     68 MET  HA      4.19            #peak   716
 68 MET  HN     69 SER  HB3     5.50            #peak   718
 98 GLU- HG2    99 ALA  HN      5.50            #peak   719
 68 MET  HN     68 MET  HB2     5.28            #peak   720
 59 LYS+ HG2    60 ASP- HN      5.50            #peak   721
 68 MET  HN     69 SER  HN      4.71            #peak   722
 32 ALA  HN     60 ASP- HN      5.50            #peak   724
 44 LYS+ HN     46 PHE  HN      5.50            #peak   725
 60 ASP- HN     61 ALA  HN      5.50            #peak   726
 97 PHE  HA     99 ALA  HN      5.50            #peak   728
 99 ALA  HN    101 TYR  HN      5.50            #peak   730
 97 PHE  HN     99 ALA  HN      5.50            #peak   731
 61 ALA  QB     65 LEU  HN      5.50            #peak   732
 56 PHE  HN     57 ALA  HN      4.21            #peak   733
 56 PHE  HN     56 PHE  HB3     4.77            #peak   734
 55 MET  HN     56 PHE  HN      4.66            #peak   735
 15 GLU- HN     16 GLN  HN      4.85            #peak   738
 38 PHE  HA     39 ASP- HN      4.76            #peak   739
 55 MET  HA     56 PHE  HN      5.46            #peak   741
 56 PHE  HN     56 PHE  HA      5.50            #peak   742
 54 SER  HA     56 PHE  HN      5.50            #peak   743
 87 ILE  HA     91 ASN  HN      5.50            #peak   744
 39 ASP- HN    102 PRO  HB2     5.50            #peak   745
 90 LEU  QD2    91 ASN  HN      5.50            #peak   746
 88 ASN  HN     90 LEU  QD2     5.50            #peak   747
 56 PHE  HN     57 ALA  QB      5.50            #peak   748
 55 MET  HG2    56 PHE  HN      5.50            #peak   749
 54 SER  HN     55 MET  HN      4.73            #peak   753
104 VAL  HN    104 VAL  HB      5.50            #peak   754
 55 MET  HN     55 MET  HG3     5.50            #peak   755
 55 MET  HN     55 MET  HG2     4.79            #peak   756
 55 MET  HA     57 ALA  HN      5.50            #peak   757
 31 VAL  QG1    57 ALA  HN      5.50            #peak   758
 56 PHE  HB3    57 ALA  HN      5.50            #peak   760
 57 ALA  HN     57 ALA  HA      5.19            #peak   762
104 VAL  HN    104 VAL  HA      5.50            #peak   763
 55 MET  HN     55 MET  HA      4.56            #peak   764
 54 SER  HB3    55 MET  HN      5.50            #peak   765
 54 SER  HA     55 MET  HN      5.50            #peak   766
 54 SER  HB3    57 ALA  HN      5.50            #peak   767
 39 ASP- HN    102 PRO  HG2     5.50            #peak   769
 39 ASP- HN    101 TYR  HB3     5.50            #peak   770
 38 PHE  HB3    39 ASP- HN      5.50            #peak   772
 89 THR  HB     91 ASN  HN      5.50            #peak   773
 13 THR  HB     15 GLU- HN      5.50            #peak   776
 13 THR  HA     15 GLU- HN      5.50            #peak   777
 90 LEU  HG     91 ASN  HN      5.50            #peak   783
 91 ASN  HN     91 ASN  HB3     4.81            #peak   784
 15 GLU- HN     15 GLU- HB3     4.72            #peak   785
 54 SER  HN     54 SER  HA      4.60            #peak   787
 53 TYR  HA     54 SER  HN      5.29            #peak   788
 54 SER  HN     54 SER  HB3     5.00            #peak   789
 74 ASP- HN     74 ASP- HA      5.50            #peak   790
 69 SER  HB2    74 ASP- HN      5.50            #peak   791
 72 GLU- HA     74 ASP- HN      5.50            #peak   792
 73 GLU- HA     74 ASP- HN      5.50            #peak   793
 64 ALA  QB     74 ASP- HN      5.50            #peak   795
 71 ASN  HB3    74 ASP- HN      5.50            #peak   796
 74 ASP- HN     75 VAL  HN      4.31            #peak   797
 73 GLU- HN     74 ASP- HN      4.69            #peak   798
 74 ASP- HN     74 ASP- HB3     4.83            #peak   800
 61 ALA  QB     62 SER  HN      5.50            #peak   801
 73 GLU- HB2    74 ASP- HN      5.50            #peak   802
 73 GLU- HG3    74 ASP- HN      5.50            #peak   803
 74 ASP- HN     75 VAL  HB      5.50            #peak   804
 74 ASP- HN     74 ASP- HB2     5.19            #peak   805
 71 ASN  HN     74 ASP- HN      5.50            #peak   806
100 LYS+ HN    100 LYS+ HD2     5.50            #peak   807
100 LYS+ HN    100 LYS+ HB3     4.91            #peak   809
 51 GLY  HA1    54 SER  HN      5.50            #peak   812
 53 TYR  HB3    54 SER  HN      5.50            #peak   813
 45 SER  HN     45 SER  HA      5.50            #peak   815
 45 SER  HN     45 SER  HB2     5.50            #peak   816
 45 SER  HN     48 GLY  HN      5.50            #peak   818
 33 ILE  HN     35 GLY  HN      5.50            #peak   819
 21 ASN  HN     21 ASN  HB2     5.50            #peak   822
 21 ASN  HN     22 GLY  HA1     5.50            #peak   823
 20 TYR  HA     21 ASN  HN      4.56            #peak   824
 82 LEU  HN     83 THR  HN      5.50            #peak   825
 20 TYR  HN     21 ASN  HN      5.44            #peak   826
 21 ASN  HN     22 GLY  HN      4.72            #peak   827
 83 THR  HN     86 GLU- HN      5.50            #peak   829
 21 ASN  HN     21 ASN  HA      5.01            #peak   830
 67 LYS+ HN     67 LYS+ HG3     5.07            #peak   831
 67 LYS+ HN     67 LYS+ HB2     4.83            #peak   832
 67 LYS+ HN     67 LYS+ HG2     5.32            #peak   833
 67 LYS+ HN     67 LYS+ HB3     5.45            #peak   834
 67 LYS+ HN     82 LEU  QD2     5.50            #peak   835
 20 TYR  HB2    21 ASN  HN      5.14            #peak   836
 66 GLY  HA1    67 LYS+ HN      5.50            #peak   837
 64 ALA  HA     67 LYS+ HN      5.50            #peak   838
 67 LYS+ HN     68 MET  HA      5.50            #peak   840
 67 LYS+ HN     69 SER  HN      5.50            #peak   841
 61 ALA  HA     62 SER  HN      5.50            #peak   842
 60 ASP- HA     62 SER  HN      5.50            #peak   843
 52 ASP- HN     54 SER  HN      5.50            #peak   845
 61 ALA  HN     62 SER  HN      5.32            #peak   846
 49 SER  HN     50 GLY  HN      5.50            #peak   847
 25 GLU- HN     26 SER  HN      4.77            #peak   848
 73 GLU- HN     75 VAL  HN      5.50            #peak   851
 71 ASN  HA     73 GLU- HN      5.50            #peak   852
 73 GLU- HN     74 ASP- HB2     5.50            #peak   853
 72 GLU- HA     73 GLU- HN      5.50            #peak   856
 19 GLN  HN     19 GLN  HB2     4.56            #peak   859
 18 SER  HN     19 GLN  HN      4.91            #peak   862
 96 LYS+ HN     98 GLU- HN      5.50            #peak   863
 98 GLU- HN    100 LYS+ HN      5.50            #peak   864
 98 GLU- HN     99 ALA  HN      4.85            #peak   865
 43 GLY  HA2    46 PHE  HN      5.50            #peak   868
 46 PHE  HN     47 TYR  HN      4.40            #peak   869
 44 LYS+ HA     46 PHE  HN      5.50            #peak   870
 45 SER  HA     46 PHE  HN      5.50            #peak   871
 46 PHE  HN     46 PHE  HA      5.50            #peak   872
 45 SER  HB2    46 PHE  HN      5.50            #peak   873
 46 PHE  HN     48 GLY  HN      5.50            #peak   874
 45 SER  HN     46 PHE  HN      5.41            #peak   875
 32 ALA  HN     33 ILE  HN      5.50            #peak   876
 32 ALA  HA     33 ILE  HN      4.72            #peak   877
 45 SER  HN     47 TYR  HN      5.50            #peak   878
 32 ALA  HN     59 LYS+ HN      5.50            #peak   880
 58 GLY  HN     59 LYS+ HN      4.92            #peak   882
 44 LYS+ HG2    45 SER  HN      5.50            #peak   883
 57 ALA  HA     59 LYS+ HN      5.50            #peak   884
 31 VAL  HA     59 LYS+ HN      5.49            #peak   885
 59 LYS+ HN     59 LYS+ HA      5.26            #peak   886
 44 LYS+ HB3    45 SER  HN      5.50            #peak   887
 44 LYS+ HB2    45 SER  HN      5.50            #peak   888
 58 GLY  HA2    59 LYS+ HN      5.50            #peak   889
 44 LYS+ HG3    45 SER  HN      5.50            #peak   890
 33 ILE  HN     33 ILE  HG12    5.50            #peak   892
 33 ILE  HN     33 ILE  HA      5.50            #peak   893
 33 ILE  HN     37 VAL  HA      5.50            #peak   894
 17 LEU  QD1    59 LYS+ HN      5.50            #peak   895
 97 PHE  HB2    98 GLU- HN      5.50            #peak   896
 98 GLU- HN     98 GLU- HB2     5.18            #peak   897
 98 GLU- HN     98 GLU- HB3     5.05            #peak   898
 98 GLU- HN     98 GLU- HG3     5.50            #peak   899
 97 PHE  HB3    98 GLU- HN      4.96            #peak   900
 94 GLU- HA     98 GLU- HN      5.50            #peak   901
 98 GLU- HN     99 ALA  QB      5.50            #peak   902
 17 LEU  HA     19 GLN  HN      5.50            #peak   903
 18 SER  HA     19 GLN  HN      5.50            #peak   905
 46 PHE  HN     46 PHE  HB3     5.24            #peak   906
 95 THR  HA     98 GLU- HN      5.50            #peak   907
 59 LYS+ HN     59 LYS+ HB2     4.98            #peak   908
 59 LYS+ HN     59 LYS+ HB3     5.16            #peak   909
 31 VAL  QG1    59 LYS+ HN      5.50            #peak   910
 98 GLU- HN     98 GLU- HA      5.11            #peak   911
 63 ARG+ HN     65 LEU  HN      5.50            #peak   914
 67 LYS+ HN     67 LYS+ HE2     5.50            #peak   915
 36 ARG+ HD3    36 ARG+ HE      5.50            #peak   916
 36 ARG+ HB3    36 ARG+ HE      5.50            #peak   917
 36 ARG+ HG2    36 ARG+ HE      5.50            #peak   918
 36 ARG+ HB2    36 ARG+ HE      5.50            #peak   919
 36 ARG+ HG3    36 ARG+ HE      5.50            #peak   920
 36 ARG+ HE     38 PHE  QD      5.50            #peak   921
 36 ARG+ HE     38 PHE  QE      5.50            #peak   922
106 ARG+ HD3   106 ARG+ HE      5.50            #peak   923
 11 GLU- HA    106 ARG+ HE      5.50            #peak   924
 63 ARG+ HD2    63 ARG+ HE      5.50            #peak   925
 11 GLU- HN     12 PHE  HN      5.50            #peak   927
 11 GLU- HB2    12 PHE  HN      5.50            #peak   928
 32 ALA  HN     37 VAL  HA      5.50            #peak   930
 33 ILE  HN     38 PHE  QD      5.50            #peak   931
 33 ILE  HN     38 PHE  QE      5.50            #peak   932
 34 LYS+ HN     34 LYS+ HG3     5.50            #peak   935
 34 LYS+ HN     34 LYS+ HB2     5.50            #peak   936
 90 LEU  HN     91 ASN  HN      5.01            #peak   937
 91 ASN  HN     93 TRP  HN      5.50            #peak   938
 90 LEU  HB2    91 ASN  HN      5.50            #peak   940
 37 VAL  HN    103 VAL  QG1     5.50            #peak   941
 91 ASN  HN     92 ASP- HN      4.71            #peak   942
 35 GLY  HN     36 ARG+ HN      5.26            #peak   943
 35 GLY  HN    107 VAL  HN      5.50            #peak   945
106 ARG+ HD3   107 VAL  HN      5.50            #peak   946
 35 GLY  HA2   107 VAL  HN      5.50            #peak   947
 35 GLY  HA1   107 VAL  HN      5.50            #peak   948
108 VAL  HA    109 SER  HN      3.96            #peak   949
106 ARG+ HN    106 ARG+ HD3     5.50            #peak   950
106 ARG+ HN    106 ARG+ HB3     5.50            #peak   951
100 LYS+ HB2   101 TYR  HN      5.50            #peak   952
 37 VAL  HN    106 ARG+ HN      5.50            #peak   953
 53 TYR  HN     53 TYR  QE      5.50            #peak   957
 53 TYR  HN     53 TYR  QD      5.50            #peak   958
 53 TYR  HN     55 MET  HN      5.50            #peak   959
 53 TYR  HN     53 TYR  HB2     5.50            #peak   960
 68 MET  HB2    93 TRP  HE1     5.50            #peak   961
 93 TRP  HB3    93 TRP  HE1     5.50            #peak   962
 93 TRP  HD1    93 TRP  HE1     5.45            #peak   963
 58 GLY  HA1    59 LYS+ HN      5.50            #peak   964
 59 LYS+ HN     59 LYS+ HG2     5.50            #peak   965
 59 LYS+ HN     59 LYS+ HG3     5.50            #peak   966
 99 ALA  HN    100 LYS+ HN      4.68            #peak   967
 96 LYS+ HN     99 ALA  HN      5.50            #peak   968
 96 LYS+ HA     97 PHE  HN      5.50            #peak   969
 95 THR  HN     96 LYS+ HN      4.56            #peak   970
 93 TRP  HN     95 THR  HN      5.50            #peak   972
 90 LEU  QD1    93 TRP  HN      5.50            #peak   974
 90 LEU  HB2    93 TRP  HN      5.50            #peak   975
 92 ASP- HA     93 TRP  HN      5.50            #peak   976
 36 ARG+ HN     36 ARG+ HB3     5.27            #peak   977
 31 VAL  HN     31 VAL  QG2     5.50            #peak   978
 84 GLU- HG2    88 ASN  HN      5.50            #peak   980
 82 LEU  HB2    87 ILE  HN      5.50            #peak   981
 86 GLU- HG3    87 ILE  HN      5.50            #peak   982
 84 GLU- HG3    85 LYS+ HN      5.50            #peak   983
 85 LYS+ HN     85 LYS+ HD2     5.50            #peak   984
 83 THR  HN     87 ILE  HN      5.50            #peak   986
 83 THR  HN     84 GLU- HN      5.50            #peak   987
 26 SER  HN     27 LYS+ HB2     5.50            #peak   988
 24 ASP- HB2    26 SER  HN      5.50            #peak   990
 79 LEU  QD2    80 GLU- HN      5.50            #peak   991
 76 SER  HN     78 SER  HN      5.50            #peak   992
 77 PRO  HG3    78 SER  HN      5.50            #peak   993
 76 SER  HB3    78 SER  HN      5.50            #peak   994
 78 SER  HN     78 SER  HB3     4.73            #peak   995
 43 GLY  HN     44 LYS+ HB3     5.50            #peak   996
 72 GLU- HB2    73 GLU- HN      5.17            #peak   997
 70 LYS+ HN     71 ASN  HN      4.32            #peak   999
 70 LYS+ HB2    71 ASN  HN      5.50            #peak  1002
 70 LYS+ HG3    71 ASN  HN      5.50            #peak  1003
 67 LYS+ HN     68 MET  HN      4.72            #peak  1004
 65 LEU  HA     68 MET  HN      5.50            #peak  1005
 66 GLY  HN     67 LYS+ HN      4.50            #peak  1007
 64 ALA  HN     67 LYS+ HN      5.50            #peak  1008
 61 ALA  QB     64 ALA  HN      5.50            #peak  1009
 60 ASP- HN     75 VAL  QG1     5.50            #peak  1011
 57 ALA  HN     58 GLY  HN      5.50            #peak  1012
 48 GLY  HA1    49 SER  HN      4.46            #peak  1013
 29 ILE  QD1    49 SER  HN      5.50            #peak  1014
 48 GLY  HN     51 GLY  HN      5.50            #peak  1015
 44 LYS+ HN     47 TYR  HN      5.50            #peak  1016
 40 VAL  HN     41 THR  HN      5.14            #peak  1018
 30 TYR  HA     40 VAL  HN      5.50            #peak  1019
 30 TYR  QD     40 VAL  HN      5.50            #peak  1020
 30 TYR  QE     40 VAL  HN      5.50            #peak  1021
 37 VAL  HN     37 VAL  QG1     5.50            #peak  1023
 92 ASP- HN     93 TRP  HN      4.73            #peak  1024
 29 ILE  HN     41 THR  HN      5.50            #peak  1025
 29 ILE  HN     41 THR  QG2     5.50            #peak  1026
 22 GLY  HA1    23 THR  HN      5.50            #peak  1028
 22 GLY  HN     29 ILE  HG13    5.50            #peak  1029
 21 ASN  HN     23 THR  HN      5.39            #peak  1030
 20 TYR  HN     20 TYR  HB3     5.16            #peak  1031
 13 THR  HB     17 LEU  HN      5.50            #peak  1032
 15 GLU- HN     15 GLU- HB2     4.79            #peak  1033
 36 ARG+ HA    107 VAL  HN      5.50            #peak  1035
 22 GLY  HN     29 ILE  QD1     5.50            #peak  1036
 22 GLY  HN     57 ALA  QB      5.50            #peak  1037
 22 GLY  HN     29 ILE  HG12    5.50            #peak  1038
 12 PHE  HN    107 VAL  QG1     5.50            #peak  1039
 46 PHE  HA     52 ASP- HN      5.50            #peak  1040
 83 THR  HA     86 GLU- HN      5.50            #peak  1041
 33 ILE  HN     38 PHE  HN      5.50            #peak  1043
 20 TYR  HA     30 TYR  HN      5.50            #peak  1045
 21 ASN  HA     21 ASN  HD21    5.50            #peak  1046
 33 ILE  HN     36 ARG+ HB3     5.50            #peak  1047
 53 TYR  HB2    54 SER  HN      5.50            #peak  1048
  9 LEU  HN      9 LEU  QD2     5.50            #peak  1049
 37 VAL  QG1   105 GLY  HN      5.50            #peak  1052
 64 ALA  HA     65 LEU  HN      5.50            #peak  1053
101 TYR  HN    101 TYR  HB2     5.50            #peak  1054
 11 GLU- HG2    12 PHE  HN      5.50            #peak  1056
 16 GLN  HG3    16 GLN  HE21    5.44            #peak  1057
 16 GLN  HB2    16 GLN  HE21    5.50            #peak  1058
 16 GLN  HB2    16 GLN  HE22    5.50            #peak  1060
 23 THR  HN     24 ASP- HA      5.50            #peak  1061
 47 TYR  HA     53 TYR  HN      5.50            #peak  1062
 59 LYS+ HG3    60 ASP- HN      5.50            #peak  1063
 12 PHE  HB2   108 VAL  HN      5.50            #peak  1064
100 LYS+ HN    100 LYS+ HE2     5.50            #peak  1065
  9 LEU  HN     10 GLU- HN      5.50            #peak  1066
 86 GLU- HN     89 THR  HN      5.50            #peak  1067
 21 ASN  HN     24 ASP- HN      5.50            #peak  1069
 34 LYS+ HN     90 LEU  QD2     5.50            #peak  1070
 42 THR  HN     43 GLY  HA1     5.50            #peak  1071
 42 THR  HN     43 GLY  HA2     5.50            #peak  1072
 17 LEU  QD2    20 TYR  HN      5.50            #peak  1073
 23 THR  HN     24 ASP- HB3     5.50            #peak  1074
 23 THR  HN     24 ASP- HB2     5.50            #peak  1075
 31 VAL  HN     37 VAL  QG1     5.50            #peak  1076
 26 SER  HN     27 LYS+ HG2     5.50            #peak  1078
102 PRO  HG2   103 VAL  HN      5.50            #peak  1079
 24 ASP- HN     27 LYS+ HB2     5.50            #peak  1080
 24 ASP- HN     27 LYS+ HG3     5.50            #peak  1081
 71 ASN  HN     72 GLU- HN      5.50            #peak  1082
 68 MET  HG2    93 TRP  HE1     5.50            #peak  1083
 37 VAL  HA    105 GLY  HN      5.50            #peak  1084
 93 TRP  HA     97 PHE  HN      5.50            #peak  1085
 10 GLU- HN    105 GLY  HA2     5.17            #peak  1086
 39 ASP- HN    101 TYR  HB2     5.50            #peak  1087
 54 SER  HN     56 PHE  HN      5.50            #peak  1088
 24 ASP- HN     26 SER  HN      5.50            #peak  1089
 29 ILE  QG2    40 VAL  HN      5.50            #peak  1090
 91 ASN  HA     91 ASN  HD21    5.50            #peak  1091
 91 ASN  HA     91 ASN  HD22    5.50            #peak  1092
 91 ASN  HB3    91 ASN  HD22    5.23            #peak  1093
 91 ASN  HB3    91 ASN  HD21    5.31            #peak  1094
 87 ILE  QD1    91 ASN  HD21    5.50            #peak  1097
 87 ILE  QD1    91 ASN  HD22    5.50            #peak  1098
 91 ASN  HN     91 ASN  HD22    5.50            #peak  1099
 91 ASN  HN     91 ASN  HD21    5.50            #peak  1101
 19 GLN  HA     19 GLN  HE21    5.50            #peak  1102
 19 GLN  HG2    19 GLN  HE21    5.50            #peak  1103
 19 GLN  HG2    19 GLN  HE22    5.50            #peak  1104
 19 GLN  HG3    19 GLN  HE21    5.50            #peak  1105
 19 GLN  HB2    19 GLN  HE21    5.50            #peak  1106
 19 GLN  HB2    19 GLN  HE22    5.50            #peak  1107
 19 GLN  HG3    19 GLN  HE22    5.50            #peak  1108
 16 GLN  HB3    19 GLN  HE21    5.50            #peak  1109
 16 GLN  HB3    19 GLN  HE22    5.50            #peak  1110
 84 GLU- HG2    88 ASN  HD22    5.50            #peak  1111
 84 GLU- HB2    88 ASN  HD22    5.50            #peak  1112
 84 GLU- HG3    88 ASN  HD22    5.50            #peak  1113
 88 ASN  HB3    88 ASN  HD22    5.46            #peak  1114
 88 ASN  HB3    88 ASN  HD21    5.13            #peak  1115
 85 LYS+ HA     88 ASN  HD21    5.50            #peak  1116
 88 ASN  HA     88 ASN  HD21    5.50            #peak  1117
 88 ASN  HA     88 ASN  HD22    5.50            #peak  1118
 84 GLU- HA     88 ASN  HD22    5.50            #peak  1119
 88 ASN  HB2    88 ASN  HD22    5.50            #peak  1120
 88 ASN  HB2    88 ASN  HD21    5.38            #peak  1121
 84 GLU- HG3    88 ASN  HD21    5.50            #peak  1122
 85 LYS+ HA     88 ASN  HD22    5.50            #peak  1123
 88 ASN  HN     88 ASN  HD22    5.50            #peak  1124
 88 ASN  HN     88 ASN  HD21    5.50            #peak  1125
 21 ASN  HB2    21 ASN  HD22    5.50            #peak  1126
 21 ASN  HB3    21 ASN  HD21    5.50            #peak  1127
 21 ASN  HB3    21 ASN  HD22    5.50            #peak  1128
 19 GLN  HA     21 ASN  HD22    5.50            #peak  1129
 21 ASN  HA     21 ASN  HD22    5.50            #peak  1130
 71 ASN  HB3    71 ASN  HD22    5.50            #peak  1131
 71 ASN  HB2    71 ASN  HD22    5.41            #peak  1132
 71 ASN  HD22   73 GLU- HB2     5.50            #peak  1133
 71 ASN  HD21   73 GLU- HG3     5.50            #peak  1134
 71 ASN  HD21   73 GLU- HB2     5.50            #peak  1135
 71 ASN  HB2    71 ASN  HD21    4.99            #peak  1136
 71 ASN  HB3    71 ASN  HD21    5.41            #peak  1137
 69 SER  HB2    71 ASN  HD21    5.50            #peak  1138
 71 ASN  HA     71 ASN  HD22    5.50            #peak  1139
 71 ASN  HA     71 ASN  HD21    5.50            #peak  1140
 69 SER  HA     71 ASN  HD22    5.50            #peak  1141
 71 ASN  HN     71 ASN  HD22    5.50            #peak  1142
 71 ASN  HN     71 ASN  HD21    5.50            #peak  1143
 71 ASN  HD22   73 GLU- HN      5.50            #peak  1144
 71 ASN  HD21   73 GLU- HN      5.50            #peak  1145
 29 ILE  HN     29 ILE  QG2     5.50            #peak  1146
 31 VAL  HN     32 ALA  HN      5.50            #peak  1147
103 VAL  HB    104 VAL  HN      5.50            #peak  1148
 33 ILE  HG12   61 ALA  HN      5.50            #peak  1150
 31 VAL  QG2    61 ALA  HN      5.50            #peak  1151
 14 ALA  HN    109 SER  HN      5.50            #peak  1153
 38 PHE  HN     38 PHE  QD      5.50            #peak  1154
 38 PHE  HN     38 PHE  QE      5.50            #peak  1155
 12 PHE  HN     12 PHE  QE      5.50            #peak  1156
 12 PHE  HN     12 PHE  QD      5.50            #peak  1157
 63 ARG+ HN     63 ARG+ HB3     5.18            #peak  1158
 62 SER  HA     63 ARG+ HN      5.22            #peak  1159
 30 TYR  HN     30 TYR  QE      5.50            #peak  1160
102 PRO  HG3   103 VAL  HN      5.50            #peak  1161
101 TYR  HN    101 TYR  QE      5.50            #peak  1162
101 TYR  HN    101 TYR  QD      5.50            #peak  1163
 56 PHE  HN     56 PHE  QD      5.50            #peak  1164
 63 ARG+ HN     82 LEU  QD1     5.50            #peak  1165
 63 ARG+ HN     77 PRO  HA      5.50            #peak  1166
 30 TYR  HN     31 VAL  HN      5.50            #peak  1167
 39 ASP- HN    102 PRO  HG3     5.50            #peak  1168
 12 PHE  QD     13 THR  HN      5.50            #peak  1169
 13 THR  HN    108 VAL  QG1     5.50            #peak  1170
 39 ASP- HN    101 TYR  HA      5.50            #peak  1171
 93 TRP  HZ2    93 TRP  HE1     5.50            #peak  1172
 22 GLY  HA1    24 ASP- HN      5.50            #peak  1173
 24 ASP- HN     27 LYS+ HE2     5.50            #peak  1174
 11 GLU- HB2   106 ARG+ HE      5.50            #peak  1175
106 ARG+ HG2   106 ARG+ HE      5.50            #peak  1176
 20 TYR  HB2    30 TYR  HN      5.49            #peak  1177
 20 TYR  HB3    30 TYR  HN      5.39            #peak  1178
 20 TYR  HN     20 TYR  QE      5.35            #peak  1179
 20 TYR  HN     20 TYR  QD      5.50            #peak  1180
 24 ASP- HN     25 GLU- HN      5.50            #peak  1181
 50 GLY  HN     51 GLY  HA1     5.50            #peak  1182
 50 GLY  HN     54 SER  HB2     5.50            #peak  1183
 79 LEU  HG     80 GLU- HN      5.50            #peak  1184
 33 ILE  QG2    61 ALA  HN      5.50            #peak  1185
 21 ASN  HN     57 ALA  QB      5.50            #peak  1186
 16 GLN  HN     16 GLN  HE22    5.50            #peak  1187
 17 LEU  HN     19 GLN  HN      5.50            #peak  1188
 20 TYR  HB3    21 ASN  HN      5.50            #peak  1189
 36 ARG+ HE    103 VAL  QG2     5.50            #peak  1190
 36 ARG+ HE    103 VAL  QG1     5.50            #peak  1191
 89 THR  HN     89 THR  QG2     4.93            #peak  1192
 17 LEU  QD2    30 TYR  HN      5.50            #peak  1193
 41 THR  HA     43 GLY  HN      5.50            #peak  1194
 68 MET  HN     93 TRP  HE1     5.50            #peak  1195
 36 ARG+ HN    106 ARG+ HA      5.50            #peak  1196
 14 ALA  HN     16 GLN  HE21    5.50            #peak  1197
 14 ALA  HN     16 GLN  HE22    5.50            #peak  1198
 14 ALA  HN    109 SER  HA      5.50            #peak  1199
 14 ALA  HN    109 SER  HB3     5.50            #peak  1200
 29 ILE  QD1    47 TYR  HN      5.50            #peak  1201
 29 ILE  QG2    47 TYR  HN      5.50            #peak  1202
 12 PHE  HN    107 VAL  HA      5.31            #peak  1203
 85 LYS+ HB3    86 GLU- HN      5.50            #peak  1205
 86 GLU- HN     87 ILE  HB      5.50            #peak  1206
 37 VAL  HB    104 VAL  HN      5.50            #peak  1207
 36 ARG+ HN    107 VAL  QG1     5.50            #peak  1208
 40 VAL  QG1    41 THR  HN      5.50            #peak  1209
 30 TYR  HA     41 THR  HN      5.50            #peak  1210
 44 LYS+ HA     45 SER  HN      5.50            #peak  1211
 44 LYS+ HD2    45 SER  HN      5.50            #peak  1212
 45 SER  HB3    46 PHE  HN      5.50            #peak  1213
 46 PHE  HN     46 PHE  HB2     5.12            #peak  1214
 41 THR  QG2    43 GLY  HN      5.50            #peak  1215
 29 ILE  HN     40 VAL  HN      5.50            #peak  1216
 29 ILE  HN     30 TYR  HN      5.50            #peak  1217
 13 THR  HN     13 THR  HA      5.50            #peak  1221
 43 GLY  HN     44 LYS+ HB2     5.50            #peak  1222
 79 LEU  HA     82 LEU  HN      5.50            #peak  1223
 82 LEU  HN     86 GLU- HB3     5.50            #peak  1224
 43 GLY  HA2    45 SER  HN      5.50            #peak  1225
 14 ALA  O      18 SER  HN      2.40 
 14 ALA  O      18 SER  N       3.40 
 15 GLU- O      19 GLN  HN      2.40 
 15 GLU- O      19 GLN  N       3.40 
 62 SER  O      66 GLY  HN      2.30  1.00E+01
 62 SER  O      66 GLY  N       3.30  1.00E+01
 63 ARG+ O      67 LYS+ HN      2.30  1.00E+01
 63 ARG+ O      67 LYS+ N       3.30  1.00E+01
 84 GLU- O      88 ASN  HN      2.30  1.00E+01
 84 GLU- O      88 ASN  N       3.30  1.00E+01
 85 LYS+ O      89 THR  HN      2.30  1.00E+01
 85 LYS+ O      89 THR  N       3.30  1.00E+01
 86 GLU- O      90 LEU  HN      2.30  1.00E+01
 86 GLU- O      90 LEU  N       3.30  1.00E+01
 87 ILE  O      91 ASN  HN      2.30  1.00E+01
 87 ILE  O      91 ASN  N       3.30  1.00E+01
 88 ASN  O      92 ASP- HN      2.30  1.00E+01
 88 ASN  O      92 ASP- N       3.30  1.00E+01
 89 THR  O      93 TRP  HN      2.30  1.00E+01
 89 THR  O      93 TRP  N       3.30  1.00E+01
 90 LEU  O      94 GLU- HN      2.30  1.00E+01
 90 LEU  O      94 GLU- N       3.30  1.00E+01
 91 ASN  O      95 THR  HN      2.30  1.00E+01
 91 ASN  O      95 THR  N       3.30  1.00E+01
 92 ASP- O      96 LYS+ HN      2.30  1.00E+01
 92 ASP- O      96 LYS+ N       3.30  1.00E+01
 93 TRP  O      97 PHE  HN      2.30  1.00E+01
 93 TRP  O      97 PHE  N       3.30  1.00E+01
 94 GLU- O      98 GLU- HN      2.30  1.00E+01
 94 GLU- O      98 GLU- N       3.30  1.00E+01
 95 THR  O      99 ALA  HN      2.40 
 95 THR  O      99 ALA  N       3.40 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1 -10.636 -16.040   3.193
    2   2H    MET   1          2HT       MET   1 -11.847 -17.191   3.276
    3   3H    MET   1          3HT       MET   1 -10.833 -16.898   4.620
    4    HA   MET   1           HA       MET   1 -12.703 -14.930   3.431
    5   1HB   MET   1          2HB       MET   1 -12.840 -16.299   6.144
    6   2HB   MET   1          1HB       MET   1 -13.932 -15.077   5.542
    7   1HG   MET   1          2HG       MET   1 -14.725 -16.606   3.819
    8   2HG   MET   1          1HG       MET   1 -13.611 -17.842   4.404
    9   1HE   MET   1          1HE       MET   1 -17.208 -16.239   6.830
   10   2HE   MET   1          2HE       MET   1 -16.809 -15.710   5.192
   11   3HE   MET   1          3HE       MET   1 -15.758 -15.280   6.541
   12    H    GLY   2           H        GLY   2 -13.055 -13.246   5.361
   13   1HA   GLY   2          2HA       GLY   2 -10.428 -12.570   6.464
   14   2HA   GLY   2          1HA       GLY   2 -11.451 -11.361   5.686
   15    H    HIS   3           H        HIS   3 -11.634 -10.159   7.619
   16    HA   HIS   3           HA       HIS   3 -13.545 -11.375   9.465
   17   1HB   HIS   3          2HB       HIS   3 -11.192  -9.640  10.213
   18   2HB   HIS   3          1HB       HIS   3 -12.565  -9.884  11.282
   19    HD1  HIS   3           1HD      HIS   3 -12.599 -12.015  12.650
   20    HD2  HIS   3           2HD      HIS   3  -9.610 -11.975   9.763
   21    HE1  HIS   3           1HE      HIS   3 -11.157 -13.998  13.147
   22    HE2  HIS   3           2HE      HIS   3  -9.432 -14.026  11.320
   23    H    HIS   4           H        HIS   4 -15.335 -10.351   9.549
   24    HA   HIS   4           HA       HIS   4 -15.637  -7.921   8.136
   25   1HB   HIS   4          2HB       HIS   4 -18.053  -7.949   8.906
   26   2HB   HIS   4          1HB       HIS   4 -17.537  -9.347   7.994
   27    HD1  HIS   4           1HD      HIS   4 -18.058 -11.564   9.018
   28    HD2  HIS   4           2HD      HIS   4 -18.271  -8.487  11.784
   29    HE1  HIS   4           1HE      HIS   4 -19.042 -12.583  11.074
   30    HE2  HIS   4           2HE      HIS   4 -18.795 -10.806  12.795
   31    H    HIS   5           H        HIS   5 -14.637  -6.295   8.823
   32    HA   HIS   5           HA       HIS   5 -15.545  -4.969  11.198
   33   1HB   HIS   5          2HB       HIS   5 -13.605  -6.311  12.008
   34   2HB   HIS   5          1HB       HIS   5 -12.604  -5.613  10.753
   35    HD1  HIS   5           1HD      HIS   5 -13.685  -5.102  14.238
   36    HD2  HIS   5           2HD      HIS   5 -12.022  -2.761  11.226
   37    HE1  HIS   5           1HE      HIS   5 -12.718  -3.132  15.379
   38    HE2  HIS   5           2HE      HIS   5 -11.970  -1.617  13.538
   39    H    HIS   6           H        HIS   6 -16.431  -3.966   9.180
   40    HA   HIS   6           HA       HIS   6 -14.873  -1.642   8.804
   41   1HB   HIS   6          2HB       HIS   6 -14.796  -1.562   6.390
   42   2HB   HIS   6          1HB       HIS   6 -14.024  -3.041   6.909
   43    HD1  HIS   6           1HD      HIS   6 -15.995  -1.769   4.351
   44    HD2  HIS   6           2HD      HIS   6 -16.198  -5.278   6.583
   45    HE1  HIS   6           1HE      HIS   6 -17.283  -3.406   2.934
   46    HE2  HIS   6           2HE      HIS   6 -17.605  -5.403   4.419
   47    H    HIS   7           H        HIS   7 -16.266  -0.491   9.784
   48    HA   HIS   7           HA       HIS   7 -18.862  -0.056   8.509
   49   1HB   HIS   7          2HB       HIS   7 -19.167  -1.634  10.410
   50   2HB   HIS   7          1HB       HIS   7 -18.426  -0.460  11.484
   51    HD1  HIS   7           1HD      HIS   7 -20.043   0.968  12.713
   52    HD2  HIS   7           2HD      HIS   7 -21.669  -0.568   9.224
   53    HE1  HIS   7           1HE      HIS   7 -22.453   1.688  12.722
   54    HE2  HIS   7           2HE      HIS   7 -23.452   0.504  10.725
   55    H    HIS   8           H        HIS   8 -16.155   1.191   8.903
   56    HA   HIS   8           HA       HIS   8 -17.028   3.912   9.178
   57   1HB   HIS   8          2HB       HIS   8 -16.509   3.325  11.567
   58   2HB   HIS   8          1HB       HIS   8 -14.894   2.847  11.075
   59    HD1  HIS   8           1HD      HIS   8 -16.937   5.827  11.966
   60    HD2  HIS   8           2HD      HIS   8 -13.179   5.048  10.363
   61    HE1  HIS   8           1HE      HIS   8 -15.679   7.966  12.132
   62    HE2  HIS   8           2HE      HIS   8 -13.555   7.561  10.913
   63    H    LEU   9           H        LEU   9 -14.349   1.644   9.012
   64    HA   LEU   9           HA       LEU   9 -13.483   3.086   6.678
   65   1HB   LEU   9          2HB       LEU   9 -11.125   2.409   7.236
   66   2HB   LEU   9          1HB       LEU   9 -11.824   3.679   8.195
   67    HG   LEU   9           HG       LEU   9 -12.065   2.134  10.088
   68   1HD1  LEU   9          1HD1      LEU   9 -10.676   0.118   8.314
   69   2HD1  LEU   9          2HD1      LEU   9 -12.359   0.031   8.825
   70   3HD1  LEU   9          3HD1      LEU   9 -11.071  -0.081  10.022
   71   1HD2  LEU   9          1HD2      LEU   9  -9.429   2.177   8.757
   72   2HD2  LEU   9          2HD2      LEU   9  -9.676   1.889  10.498
   73   3HD2  LEU   9          3HD2      LEU   9 -10.101   3.456   9.759
   74    H    GLU  10           H        GLU  10 -11.506   1.210   5.872
   75    HA   GLU  10           HA       GLU  10 -13.419  -0.876   5.079
   76   1HB   GLU  10          2HB       GLU  10 -11.345   0.547   3.490
   77   2HB   GLU  10          1HB       GLU  10 -12.233  -0.869   2.926
   78   1HG   GLU  10          2HG       GLU  10 -13.468   1.575   3.962
   79   2HG   GLU  10          1HG       GLU  10 -13.133   1.373   2.229
   80    H    GLU  11           H        GLU  11 -12.574  -2.866   4.200
   81    HA   GLU  11           HA       GLU  11  -9.937  -3.556   4.943
   82   1HB   GLU  11          2HB       GLU  11 -11.359  -4.853   6.343
   83   2HB   GLU  11          1HB       GLU  11 -12.489  -5.135   5.020
   84   1HG   GLU  11          2HG       GLU  11 -10.979  -6.466   3.869
   85   2HG   GLU  11          1HG       GLU  11  -9.642  -6.146   4.899
   86    H    PHE  12           H        PHE  12  -8.863  -3.902   3.247
   87    HA   PHE  12           HA       PHE  12 -10.211  -4.454   0.719
   88   1HB   PHE  12          2HB       PHE  12  -7.696  -3.153   1.526
   89   2HB   PHE  12          1HB       PHE  12  -8.047  -3.822  -0.068
   90    HD1  PHE  12           1HD      PHE  12  -9.685  -2.603  -1.514
   91    HD2  PHE  12           2HD      PHE  12  -8.760  -1.136   2.381
   92    HE1  PHE  12           1HE      PHE  12 -10.783  -0.471  -2.049
   93    HE2  PHE  12           2HE      PHE  12  -9.852   0.980   1.844
   94    HZ   PHE  12           HZ       PHE  12 -10.869   1.322  -0.370
   95    H    THR  13           H        THR  13  -9.495  -6.310  -0.385
   96    HA   THR  13           HA       THR  13  -7.391  -7.748   1.014
   97    HB   THR  13           HB       THR  13  -9.046  -8.759  -1.314
   98    HG1  THR  13           1HG      THR  13  -9.616  -9.307   1.404
   99   1HG2  THR  13          1HG2      THR  13  -8.505 -10.931  -0.298
  100   2HG2  THR  13          2HG2      THR  13  -7.660 -10.052   1.001
  101   3HG2  THR  13          3HG2      THR  13  -7.051  -9.972  -0.641
  102    H    ALA  14           H        ALA  14  -5.472  -8.311  -0.211
  103    HA   ALA  14           HA       ALA  14  -4.511  -6.148  -1.648
  104   1HB   ALA  14          1HB       ALA  14  -2.509  -7.354  -2.051
  105   2HB   ALA  14          2HB       ALA  14  -3.308  -8.901  -1.736
  106   3HB   ALA  14          3HB       ALA  14  -3.099  -7.717  -0.434
  107    H    GLU  15           H        GLU  15  -5.612  -9.192  -3.076
  108    HA   GLU  15           HA       GLU  15  -4.992  -8.428  -5.739
  109   1HB   GLU  15          2HB       GLU  15  -6.960 -10.430  -4.687
  110   2HB   GLU  15          1HB       GLU  15  -6.572 -10.275  -6.389
  111   1HG   GLU  15          2HG       GLU  15  -4.206 -10.778  -5.838
  112   2HG   GLU  15          1HG       GLU  15  -4.663 -11.014  -4.160
  113    H    GLN  16           H        GLN  16  -7.695  -7.883  -3.714
  114    HA   GLN  16           HA       GLN  16  -9.373  -6.829  -5.778
  115   1HB   GLN  16          2HB       GLN  16  -9.546  -6.866  -2.781
  116   2HB   GLN  16          1HB       GLN  16 -10.682  -5.935  -3.741
  117   1HG   GLN  16          2HG       GLN  16 -11.628  -8.086  -3.132
  118   2HG   GLN  16          1HG       GLN  16 -11.385  -7.927  -4.870
  119   1HE2  GLN  16          1HE2      GLN  16 -10.463  -9.586  -1.997
  120   2HE2  GLN  16          2HE2      GLN  16  -9.589 -10.863  -2.757
  121    H    LEU  17           H        LEU  17  -7.149  -5.599  -3.433
  122    HA   LEU  17           HA       LEU  17  -7.642  -2.848  -3.750
  123   1HB   LEU  17          2HB       LEU  17  -6.367  -3.824  -1.897
  124   2HB   LEU  17          1HB       LEU  17  -5.089  -4.247  -3.021
  125    HG   LEU  17           HG       LEU  17  -4.889  -1.802  -3.545
  126   1HD1  LEU  17          1HD1      LEU  17  -5.665  -0.251  -1.862
  127   2HD1  LEU  17          2HD1      LEU  17  -6.565  -1.568  -1.097
  128   3HD1  LEU  17          3HD1      LEU  17  -6.996  -1.034  -2.731
  129   1HD2  LEU  17          1HD2      LEU  17  -3.318  -2.955  -2.210
  130   2HD2  LEU  17          2HD2      LEU  17  -4.323  -2.696  -0.758
  131   3HD2  LEU  17          3HD2      LEU  17  -3.587  -1.313  -1.604
  132    H    SER  18           H        SER  18  -5.800  -5.189  -5.513
  133    HA   SER  18           HA       SER  18  -4.047  -3.589  -6.990
  134   1HB   SER  18          2HB       SER  18  -3.951  -6.092  -6.774
  135   2HB   SER  18          1HB       SER  18  -5.351  -6.194  -7.822
  136    HG   SER  18           HG       SER  18  -4.177  -5.554  -9.522
  137    H    GLN  19           H        GLN  19  -7.324  -3.688  -7.072
  138    HA   GLN  19           HA       GLN  19  -7.603  -3.037  -9.918
  139   1HB   GLN  19          2HB       GLN  19  -9.754  -3.417  -7.829
  140   2HB   GLN  19          1HB       GLN  19  -9.962  -3.413  -9.580
  141   1HG   GLN  19          2HG       GLN  19  -8.591  -5.470  -9.734
  142   2HG   GLN  19          1HG       GLN  19  -8.396  -5.431  -8.001
  143   1HE2  GLN  19          1HE2      GLN  19  -9.299  -7.437  -7.754
  144   2HE2  GLN  19          2HE2      GLN  19 -10.999  -7.709  -7.898
  145    H    TYR  20           H        TYR  20  -7.358  -1.612  -6.858
  146    HA   TYR  20           HA       TYR  20  -8.728   0.874  -7.519
  147   1HB   TYR  20          2HB       TYR  20  -7.409  -0.223  -5.045
  148   2HB   TYR  20          1HB       TYR  20  -7.957   1.437  -5.106
  149    HD1  TYR  20           1HD      TYR  20  -8.995  -2.091  -5.050
  150    HD2  TYR  20           2HD      TYR  20 -10.334   1.942  -5.022
  151    HE1  TYR  20           1HE      TYR  20 -11.229  -2.846  -4.364
  152    HE2  TYR  20           2HE      TYR  20 -12.576   1.202  -4.337
  153    HH   TYR  20           HH       TYR  20 -13.137  -1.983  -3.260
  154    H    ASN  21           H        ASN  21  -6.490   0.073  -9.015
  155    HA   ASN  21           HA       ASN  21  -4.171   1.534  -8.195
  156   1HB   ASN  21          2HB       ASN  21  -3.221   0.828 -10.346
  157   2HB   ASN  21          1HB       ASN  21  -3.934  -0.528  -9.487
  158   1HD2  ASN  21          1HD2      ASN  21  -3.349  -0.366 -12.250
  159   2HD2  ASN  21          2HD2      ASN  21  -4.821  -0.561 -13.119
  160    H    GLY  22           H        GLY  22  -7.044   2.360  -9.693
  161   1HA   GLY  22          2HA       GLY  22  -7.687   4.635  -9.921
  162   2HA   GLY  22          1HA       GLY  22  -5.993   5.062 -10.037
  163    H    THR  23           H        THR  23  -5.873   2.838 -12.197
  164    HA   THR  23           HA       THR  23  -6.421   4.789 -14.258
  165    HB   THR  23           HB       THR  23  -4.337   3.454 -14.188
  166    HG1  THR  23           1HG      THR  23  -5.839   4.102 -16.305
  167   1HG2  THR  23          1HG2      THR  23  -6.123   1.216 -15.137
  168   2HG2  THR  23          2HG2      THR  23  -5.230   1.278 -13.619
  169   3HG2  THR  23          3HG2      THR  23  -4.360   1.167 -15.149
  170    H    ASP  24           H        ASP  24  -8.142   2.303 -12.846
  171    HA   ASP  24           HA       ASP  24  -9.498   1.612 -15.270
  172   1HB   ASP  24          2HB       ASP  24  -9.155  -0.129 -13.460
  173   2HB   ASP  24          1HB       ASP  24 -10.245   0.795 -12.464
  174    H    GLU  25           H        GLU  25 -10.364   3.664 -15.836
  175    HA   GLU  25           HA       GLU  25 -11.879   5.330 -15.970
  176   1HB   GLU  25          2HB       GLU  25 -13.508   3.448 -14.287
  177   2HB   GLU  25          1HB       GLU  25 -14.146   4.900 -15.051
  178   1HG   GLU  25          2HG       GLU  25 -12.925   2.554 -16.456
  179   2HG   GLU  25          1HG       GLU  25 -14.640   2.960 -16.335
  180    H    SER  26           H        SER  26 -10.081   5.102 -13.870
  181    HA   SER  26           HA       SER  26  -9.278   6.224 -12.129
  182   1HB   SER  26          2HB       SER  26  -9.755   8.208 -13.428
  183   2HB   SER  26          1HB       SER  26 -11.420   8.213 -12.851
  184    HG   SER  26           HG       SER  26 -10.782   9.192 -11.135
  185    H    LYS  27           H        LYS  27 -10.090   4.352 -11.065
  186    HA   LYS  27           HA       LYS  27 -12.230   4.661  -9.156
  187   1HB   LYS  27          2HB       LYS  27  -9.876   2.734  -9.086
  188   2HB   LYS  27          1HB       LYS  27 -11.262   2.662  -8.020
  189   1HG   LYS  27          2HG       LYS  27 -12.663   2.234 -10.132
  190   2HG   LYS  27          1HG       LYS  27 -11.127   2.085 -10.956
  191   1HD   LYS  27          2HD       LYS  27 -10.423   0.289  -9.520
  192   2HD   LYS  27          1HD       LYS  27 -11.871   0.459  -8.536
  193   1HE   LYS  27          2HE       LYS  27 -11.811  -0.335 -11.445
  194   2HE   LYS  27          1HE       LYS  27 -11.997  -1.446 -10.088
  195   1HZ   LYS  27          1HZ       LYS  27 -14.083  -0.306  -9.529
  196   2HZ   LYS  27          2HZ       LYS  27 -14.127  -0.898 -11.102
  197   3HZ   LYS  27          3HZ       LYS  27 -13.865   0.736 -10.832
  198    HA   PRO  28           HA       PRO  28  -9.857   6.847  -6.025
  199   1HB   PRO  28          2HB       PRO  28 -10.649   4.899  -3.949
  200   2HB   PRO  28          1HB       PRO  28 -10.980   6.629  -4.037
  201   1HG   PRO  28          2HG       PRO  28 -12.883   4.814  -4.415
  202   2HG   PRO  28          1HG       PRO  28 -12.878   6.343  -5.314
  203   1HD   PRO  28          2HD       PRO  28 -12.058   3.605  -6.200
  204   2HD   PRO  28          1HD       PRO  28 -12.929   4.862  -7.104
  205    H    ILE  29           H        ILE  29  -7.794   6.720  -5.459
  206    HA   ILE  29           HA       ILE  29  -6.484   4.150  -5.881
  207    HB   ILE  29           HB       ILE  29  -5.102   6.848  -5.566
  208   1HG1  ILE  29          2HG1      ILE  29  -4.714   6.724  -8.048
  209   2HG1  ILE  29          1HG1      ILE  29  -5.925   5.445  -8.118
  210   1HG2  ILE  29          1HG2      ILE  29  -4.140   4.224  -6.696
  211   2HG2  ILE  29          2HG2      ILE  29  -3.692   4.915  -5.142
  212   3HG2  ILE  29          3HG2      ILE  29  -3.205   5.719  -6.639
  213   1HD1  ILE  29          1HD1      ILE  29  -6.344   8.297  -7.271
  214   2HD1  ILE  29          2HD1      ILE  29  -7.595   7.049  -7.325
  215   3HD1  ILE  29          3HD1      ILE  29  -6.803   7.580  -8.813
  216    H    TYR  30           H        TYR  30  -5.294   3.118  -4.281
  217    HA   TYR  30           HA       TYR  30  -5.070   4.429  -1.737
  218   1HB   TYR  30          2HB       TYR  30  -6.312   1.706  -2.206
  219   2HB   TYR  30          1HB       TYR  30  -5.881   2.372  -0.639
  220    HD1  TYR  30           1HD      TYR  30  -7.077   4.560   0.033
  221    HD2  TYR  30           2HD      TYR  30  -8.439   1.996  -3.059
  222    HE1  TYR  30           1HE      TYR  30  -9.331   5.536   0.220
  223    HE2  TYR  30           2HE      TYR  30 -10.686   2.959  -2.880
  224    HH   TYR  30           HH       TYR  30 -11.289   5.812  -1.178
  225    H    VAL  31           H        VAL  31  -3.287   3.753  -0.748
  226    HA   VAL  31           HA       VAL  31  -1.810   1.656  -2.104
  227    HB   VAL  31           HB       VAL  31  -0.690   3.761  -2.669
  228   1HG1  VAL  31          1HG1      VAL  31  -0.474   4.295   0.265
  229   2HG1  VAL  31          2HG1      VAL  31  -1.543   5.105  -0.904
  230   3HG1  VAL  31          3HG1      VAL  31   0.211   5.228  -1.086
  231   1HG2  VAL  31          1HG2      VAL  31   0.740   2.217  -0.572
  232   2HG2  VAL  31          2HG2      VAL  31   1.477   3.386  -1.682
  233   3HG2  VAL  31          3HG2      VAL  31   0.674   1.910  -2.321
  234    H    ALA  32           H        ALA  32  -1.061   0.117  -0.837
  235    HA   ALA  32           HA       ALA  32  -1.633   0.507   1.989
  236   1HB   ALA  32          1HB       ALA  32  -1.543  -2.066   0.447
  237   2HB   ALA  32          2HB       ALA  32  -2.999  -1.180   0.851
  238   3HB   ALA  32          3HB       ALA  32  -1.999  -1.864   2.141
  239    H    ILE  33           H        ILE  33  -0.170   0.021   3.429
  240    HA   ILE  33           HA       ILE  33   2.378  -1.087   2.528
  241    HB   ILE  33           HB       ILE  33   2.029   1.405   4.206
  242   1HG1  ILE  33          2HG1      ILE  33   3.331   1.009   1.509
  243   2HG1  ILE  33          1HG1      ILE  33   1.825   1.856   1.813
  244   1HG2  ILE  33          1HG2      ILE  33   4.528  -0.107   3.541
  245   2HG2  ILE  33          2HG2      ILE  33   3.791   0.081   5.132
  246   3HG2  ILE  33          3HG2      ILE  33   4.476   1.486   4.291
  247   1HD1  ILE  33          1HD1      ILE  33   3.656   3.389   1.455
  248   2HD1  ILE  33          2HD1      ILE  33   4.525   2.647   2.832
  249   3HD1  ILE  33          3HD1      ILE  33   3.023   3.530   3.106
  250    H    LYS  34           H        LYS  34   2.437  -2.914   3.678
  251    HA   LYS  34           HA       LYS  34   2.769  -4.286   5.505
  252   1HB   LYS  34          2HB       LYS  34   3.886  -1.943   6.251
  253   2HB   LYS  34          1HB       LYS  34   2.553  -1.925   7.375
  254   1HG   LYS  34          2HG       LYS  34   4.650  -4.095   7.220
  255   2HG   LYS  34          1HG       LYS  34   4.712  -2.729   8.314
  256   1HD   LYS  34          2HD       LYS  34   2.649  -3.532   9.393
  257   2HD   LYS  34          1HD       LYS  34   2.612  -4.898   8.276
  258   1HE   LYS  34          2HE       LYS  34   4.773  -5.664   9.125
  259   2HE   LYS  34          1HE       LYS  34   4.839  -4.280  10.211
  260   1HZ   LYS  34          1HZ       LYS  34   2.911  -5.132  11.371
  261   2HZ   LYS  34          2HZ       LYS  34   4.113  -6.310  11.314
  262   3HZ   LYS  34          3HZ       LYS  34   2.793  -6.425  10.294
  263    H    GLY  35           H        GLY  35   0.132  -3.388   4.450
  264   1HA   GLY  35          2HA       GLY  35  -1.942  -4.367   4.957
  265   2HA   GLY  35          1HA       GLY  35  -1.509  -4.485   6.610
  266    H    ARG  36           H        ARG  36  -0.614  -1.475   5.699
  267    HA   ARG  36           HA       ARG  36  -2.972  -0.259   6.957
  268   1HB   ARG  36          2HB       ARG  36  -0.256   0.921   6.301
  269   2HB   ARG  36          1HB       ARG  36  -1.454   1.572   7.415
  270   1HG   ARG  36          2HG       ARG  36  -1.051  -0.103   9.014
  271   2HG   ARG  36          1HG       ARG  36  -0.205  -1.120   7.852
  272   1HD   ARG  36          2HD       ARG  36   1.441  -0.188   9.296
  273   2HD   ARG  36          1HD       ARG  36   1.576   0.623   7.748
  274    HE   ARG  36           HE       ARG  36  -0.042   2.231   9.239
  275   1HH1  ARG  36          1HH1      ARG  36   3.344   1.030   9.373
  276   2HH1  ARG  36          2HH1      ARG  36   3.831   2.181  10.500
  277   1HH2  ARG  36          1HH2      ARG  36   0.730   3.824  10.860
  278   2HH2  ARG  36          2HH2      ARG  36   2.355   3.763  11.367
  279    H    VAL  37           H        VAL  37  -4.449   0.457   5.408
  280    HA   VAL  37           HA       VAL  37  -3.437   1.124   2.761
  281    HB   VAL  37           HB       VAL  37  -6.291   0.809   3.753
  282   1HG1  VAL  37          1HG1      VAL  37  -5.258   1.328   0.967
  283   2HG1  VAL  37          2HG1      VAL  37  -6.149   2.489   1.951
  284   3HG1  VAL  37          3HG1      VAL  37  -6.942   1.012   1.388
  285   1HG2  VAL  37          1HG2      VAL  37  -5.033  -1.268   3.546
  286   2HG2  VAL  37          2HG2      VAL  37  -4.624  -0.839   1.882
  287   3HG2  VAL  37          3HG2      VAL  37  -6.299  -1.153   2.322
  288    H    PHE  38           H        PHE  38  -2.930   3.060   2.280
  289    HA   PHE  38           HA       PHE  38  -4.064   5.316   3.774
  290   1HB   PHE  38          2HB       PHE  38  -1.696   5.036   1.996
  291   2HB   PHE  38          1HB       PHE  38  -2.140   6.549   2.777
  292    HD1  PHE  38           1HD      PHE  38  -0.689   3.188   3.237
  293    HD2  PHE  38           2HD      PHE  38  -1.630   6.878   5.139
  294    HE1  PHE  38           1HE      PHE  38   0.736   2.581   5.125
  295    HE2  PHE  38           2HE      PHE  38  -0.205   6.254   7.028
  296    HZ   PHE  38           HZ       PHE  38   0.985   4.109   7.023
  297    H    ASP  39           H        ASP  39  -5.090   6.939   2.621
  298    HA   ASP  39           HA       ASP  39  -5.893   6.295  -0.113
  299   1HB   ASP  39          2HB       ASP  39  -7.592   7.172   1.471
  300   2HB   ASP  39          1HB       ASP  39  -6.671   8.667   1.610
  301    H    VAL  40           H        VAL  40  -5.128   7.246  -1.876
  302    HA   VAL  40           HA       VAL  40  -3.382   9.567  -1.524
  303    HB   VAL  40           HB       VAL  40  -1.989   8.671  -3.478
  304   1HG1  VAL  40          1HG1      VAL  40  -1.165   8.728  -1.213
  305   2HG1  VAL  40          2HG1      VAL  40  -0.629   7.275  -2.056
  306   3HG1  VAL  40          3HG1      VAL  40  -1.943   7.178  -0.868
  307   1HG2  VAL  40          1HG2      VAL  40  -3.512   6.943  -4.213
  308   2HG2  VAL  40          2HG2      VAL  40  -3.346   6.112  -2.667
  309   3HG2  VAL  40          3HG2      VAL  40  -1.960   6.247  -3.752
  310    H    THR  41           H        THR  41  -6.187   9.450  -2.324
  311    HA   THR  41           HA       THR  41  -6.214   9.954  -5.129
  312    HB   THR  41           HB       THR  41  -8.483  10.984  -4.727
  313    HG1  THR  41           1HG      THR  41  -7.946  10.224  -2.017
  314   1HG2  THR  41          1HG2      THR  41  -8.257   8.615  -5.236
  315   2HG2  THR  41          2HG2      THR  41  -9.572   8.868  -4.084
  316   3HG2  THR  41          3HG2      THR  41  -8.016   8.251  -3.526
  317    H    THR  42           H        THR  42  -5.394  11.787  -2.379
  318    HA   THR  42           HA       THR  42  -5.586  14.388  -3.434
  319    HB   THR  42           HB       THR  42  -3.910  14.823  -1.556
  320    HG1  THR  42           1HG      THR  42  -3.657  12.970  -0.130
  321   1HG2  THR  42          1HG2      THR  42  -6.347  15.061  -1.248
  322   2HG2  THR  42          2HG2      THR  42  -5.588  14.406   0.204
  323   3HG2  THR  42          3HG2      THR  42  -6.466  13.338  -0.891
  324    H    GLY  43           H        GLY  43  -3.380  11.776  -3.831
  325   1HA   GLY  43          2HA       GLY  43  -1.529  13.517  -5.318
  326   2HA   GLY  43          1HA       GLY  43  -0.996  12.120  -4.387
  327    H    LYS  44           H        LYS  44  -3.846  12.358  -6.391
  328    HA   LYS  44           HA       LYS  44  -3.551   9.815  -7.584
  329   1HB   LYS  44          2HB       LYS  44  -5.648  11.017  -7.446
  330   2HB   LYS  44          1HB       LYS  44  -5.046  12.159  -8.655
  331   1HG   LYS  44          2HG       LYS  44  -4.743  10.396 -10.238
  332   2HG   LYS  44          1HG       LYS  44  -5.234   9.205  -9.045
  333   1HD   LYS  44          2HD       LYS  44  -7.402  10.296  -8.917
  334   2HD   LYS  44          1HD       LYS  44  -6.776  11.421 -10.144
  335   1HE   LYS  44          2HE       LYS  44  -6.795   8.482 -10.591
  336   2HE   LYS  44          1HE       LYS  44  -8.170   9.519 -10.957
  337   1HZ   LYS  44          1HZ       LYS  44  -6.713   9.157 -12.906
  338   2HZ   LYS  44          2HZ       LYS  44  -5.414   9.863 -12.079
  339   3HZ   LYS  44          3HZ       LYS  44  -6.766  10.778 -12.459
  340    H    SER  45           H        SER  45  -2.578  12.992  -8.766
  341    HA   SER  45           HA       SER  45  -1.846  12.151 -11.332
  342   1HB   SER  45          2HB       SER  45  -0.715  14.420  -9.685
  343   2HB   SER  45          1HB       SER  45  -0.606  14.251 -11.440
  344    HG   SER  45           HG       SER  45  -2.841  14.359 -11.554
  345    H    PHE  46           H        PHE  46  -0.285  11.786  -8.288
  346    HA   PHE  46           HA       PHE  46   2.304  11.153  -9.443
  347   1HB   PHE  46          2HB       PHE  46   1.347  11.155  -6.571
  348   2HB   PHE  46          1HB       PHE  46   2.998  10.860  -7.076
  349    HD1  PHE  46           1HD      PHE  46   4.390  12.680  -7.868
  350    HD2  PHE  46           2HD      PHE  46   0.396  13.363  -6.579
  351    HE1  PHE  46           1HE      PHE  46   4.859  15.094  -7.705
  352    HE2  PHE  46           2HE      PHE  46   0.854  15.774  -6.414
  353    HZ   PHE  46           HZ       PHE  46   3.093  16.640  -6.978
  354    H    TYR  47           H        TYR  47  -0.431   9.582  -7.840
  355    HA   TYR  47           HA       TYR  47   0.963   7.048  -7.978
  356   1HB   TYR  47          2HB       TYR  47  -1.529   7.818  -6.479
  357   2HB   TYR  47          1HB       TYR  47  -0.875   6.183  -6.521
  358    HD1  TYR  47           1HD      TYR  47   0.905   5.561  -5.084
  359    HD2  TYR  47           2HD      TYR  47  -0.090   9.659  -5.554
  360    HE1  TYR  47           1HE      TYR  47   2.451   6.150  -3.255
  361    HE2  TYR  47           2HE      TYR  47   1.433  10.256  -3.748
  362    HH   TYR  47           HH       TYR  47   2.414   9.272  -1.873
  363    H    GLY  48           H        GLY  48  -2.495   8.004  -8.822
  364   1HA   GLY  48          2HA       GLY  48  -2.379   5.610 -10.535
  365   2HA   GLY  48          1HA       GLY  48  -3.814   6.130  -9.686
  366    H    SER  49           H        SER  49  -1.460   7.566 -11.839
  367    HA   SER  49           HA       SER  49  -3.539   8.146 -13.820
  368   1HB   SER  49          2HB       SER  49  -1.753  10.298 -12.665
  369   2HB   SER  49          1HB       SER  49  -2.940  10.524 -13.956
  370    HG   SER  49           HG       SER  49  -3.233  10.115 -11.242
  371    H    GLY  50           H        GLY  50  -1.026   6.512 -13.422
  372   1HA   GLY  50          2HA       GLY  50   0.704   5.858 -14.758
  373   2HA   GLY  50          1HA       GLY  50   0.357   7.207 -15.843
  374    H    GLY  51           H        GLY  51   1.046   7.097 -12.411
  375   1HA   GLY  51          2HA       GLY  51   2.998   9.293 -12.771
  376   2HA   GLY  51          1HA       GLY  51   2.236   8.806 -11.247
  377    H    ASP  52           H        ASP  52   4.659   9.240 -10.956
  378    HA   ASP  52           HA       ASP  52   6.297   7.063 -11.794
  379   1HB   ASP  52          2HB       ASP  52   8.125   8.176 -10.798
  380   2HB   ASP  52          1HB       ASP  52   7.165   9.382 -11.608
  381    H    TYR  53           H        TYR  53   4.217   7.597  -9.222
  382    HA   TYR  53           HA       TYR  53   5.464   5.502  -7.569
  383   1HB   TYR  53          2HB       TYR  53   3.131   7.345  -6.994
  384   2HB   TYR  53          1HB       TYR  53   3.772   6.150  -5.884
  385    HD1  TYR  53           1HD      TYR  53   4.223   9.399  -7.382
  386    HD2  TYR  53           2HD      TYR  53   5.929   6.539  -4.765
  387    HE1  TYR  53           1HE      TYR  53   5.710  11.124  -6.500
  388    HE2  TYR  53           2HE      TYR  53   7.446   8.255  -3.858
  389    HH   TYR  53           HH       TYR  53   8.410  10.419  -4.595
  390    H    SER  54           H        SER  54   4.142   5.059 -10.143
  391    HA   SER  54           HA       SER  54   1.472   4.257  -9.943
  392   1HB   SER  54          2HB       SER  54   2.707   4.676 -12.078
  393   2HB   SER  54          1HB       SER  54   3.557   3.153 -11.789
  394    HG   SER  54           HG       SER  54   1.925   2.112 -12.539
  395    H    MET  55           H        MET  55   4.383   2.579  -8.928
  396    HA   MET  55           HA       MET  55   3.222  -0.047  -9.050
  397   1HB   MET  55          2HB       MET  55   5.656   0.859  -7.513
  398   2HB   MET  55          1HB       MET  55   5.205  -0.795  -7.879
  399   1HG   MET  55          2HG       MET  55   6.125   1.311  -9.833
  400   2HG   MET  55          1HG       MET  55   6.940  -0.151  -9.335
  401   1HE   MET  55          1HE       MET  55   6.087  -0.892 -13.057
  402   2HE   MET  55          2HE       MET  55   7.364  -0.754 -11.850
  403   3HE   MET  55          3HE       MET  55   6.483   0.683 -12.371
  404    H    PHE  56           H        PHE  56   3.066   2.539  -6.945
  405    HA   PHE  56           HA       PHE  56   2.508   1.037  -4.525
  406   1HB   PHE  56          2HB       PHE  56   2.456   3.996  -5.159
  407   2HB   PHE  56          1HB       PHE  56   2.124   3.304  -3.581
  408    HD1  PHE  56           1HD      PHE  56   3.810   3.826  -2.140
  409    HD2  PHE  56           2HD      PHE  56   4.839   2.723  -6.111
  410    HE1  PHE  56           1HE      PHE  56   6.187   3.998  -1.572
  411    HE2  PHE  56           2HE      PHE  56   7.218   2.887  -5.542
  412    HZ   PHE  56           HZ       PHE  56   7.898   3.531  -3.273
  413    H    ALA  57           H        ALA  57   0.921   2.965  -6.922
  414    HA   ALA  57           HA       ALA  57  -1.605   3.339  -5.866
  415   1HB   ALA  57          1HB       ALA  57  -0.899   2.890  -8.756
  416   2HB   ALA  57          2HB       ALA  57  -0.797   4.426  -7.895
  417   3HB   ALA  57          3HB       ALA  57  -2.364   3.662  -8.153
  418    H    GLY  58           H        GLY  58  -2.885   1.798  -5.015
  419   1HA   GLY  58          2HA       GLY  58  -4.382   0.098  -5.012
  420   2HA   GLY  58          1HA       GLY  58  -4.046  -0.165  -6.713
  421    H    LYS  59           H        LYS  59  -1.522  -0.234  -4.198
  422    HA   LYS  59           HA       LYS  59  -1.504  -3.082  -4.351
  423   1HB   LYS  59          2HB       LYS  59  -0.096  -2.199  -6.177
  424   2HB   LYS  59          1HB       LYS  59   0.803  -1.259  -4.992
  425   1HG   LYS  59          2HG       LYS  59   2.036  -3.151  -5.454
  426   2HG   LYS  59          1HG       LYS  59   1.322  -3.407  -3.853
  427   1HD   LYS  59          2HD       LYS  59  -0.573  -4.552  -5.417
  428   2HD   LYS  59          1HD       LYS  59   0.897  -4.684  -6.404
  429   1HE   LYS  59          2HE       LYS  59   2.073  -5.710  -4.584
  430   2HE   LYS  59          1HE       LYS  59   0.539  -5.532  -3.675
  431   1HZ   LYS  59          1HZ       LYS  59   0.823  -7.117  -6.173
  432   2HZ   LYS  59          2HZ       LYS  59  -0.540  -7.080  -5.197
  433   3HZ   LYS  59          3HZ       LYS  59   0.856  -7.832  -4.663
  434    H    ASP  60           H        ASP  60  -0.639  -3.896  -2.413
  435    HA   ASP  60           HA       ASP  60   0.321  -1.999  -0.437
  436   1HB   ASP  60          2HB       ASP  60  -0.945  -4.103   0.284
  437   2HB   ASP  60          1HB       ASP  60   0.414  -5.032  -0.340
  438    H    ALA  61           H        ALA  61   2.301  -1.341  -0.519
  439    HA   ALA  61           HA       ALA  61   4.138  -2.732  -2.354
  440   1HB   ALA  61          1HB       ALA  61   4.185   0.136  -1.448
  441   2HB   ALA  61          2HB       ALA  61   3.498  -0.454  -2.959
  442   3HB   ALA  61          3HB       ALA  61   5.232  -0.595  -2.665
  443    H    SER  62           H        SER  62   3.790  -3.289   0.608
  444    HA   SER  62           HA       SER  62   5.752  -2.109   2.145
  445   1HB   SER  62          2HB       SER  62   5.546  -4.167   3.543
  446   2HB   SER  62          1HB       SER  62   4.036  -3.320   3.182
  447    HG   SER  62           HG       SER  62   3.438  -4.853   1.872
  448    H    ARG  63           H        ARG  63   6.094  -5.394   0.694
  449    HA   ARG  63           HA       ARG  63   8.752  -5.760   1.252
  450   1HB   ARG  63          2HB       ARG  63   7.431  -7.558   0.397
  451   2HB   ARG  63          1HB       ARG  63   7.113  -6.697  -1.098
  452   1HG   ARG  63          2HG       ARG  63   9.452  -6.929  -1.745
  453   2HG   ARG  63          1HG       ARG  63   9.799  -7.748  -0.220
  454   1HD   ARG  63          2HD       ARG  63   8.413  -9.595  -0.808
  455   2HD   ARG  63          1HD       ARG  63   7.759  -8.735  -2.201
  456    HE   ARG  63           HE       ARG  63  10.364  -8.802  -2.759
  457   1HH1  ARG  63          1HH1      ARG  63   8.197 -11.396  -1.715
  458   2HH1  ARG  63          2HH1      ARG  63   8.917 -12.596  -2.698
  459   1HH2  ARG  63          1HH2      ARG  63  11.353 -10.442  -4.076
  460   2HH2  ARG  63          2HH2      ARG  63  10.756 -12.050  -4.076
  461    H    ALA  64           H        ALA  64   7.360  -3.867  -1.349
  462    HA   ALA  64           HA       ALA  64   9.761  -3.755  -2.926
  463   1HB   ALA  64          1HB       ALA  64   7.220  -2.141  -3.075
  464   2HB   ALA  64          2HB       ALA  64   7.652  -3.565  -4.051
  465   3HB   ALA  64          3HB       ALA  64   8.540  -2.067  -4.236
  466    H    LEU  65           H        LEU  65   8.135  -1.837  -0.607
  467    HA   LEU  65           HA       LEU  65   9.660   0.509  -0.683
  468   1HB   LEU  65          2HB       LEU  65   8.279  -0.960   1.468
  469   2HB   LEU  65          1HB       LEU  65   8.955   0.633   1.725
  470    HG   LEU  65           HG       LEU  65   6.618  -0.197   0.020
  471   1HD1  LEU  65          1HD1      LEU  65   6.189  -0.030   2.359
  472   2HD1  LEU  65          2HD1      LEU  65   5.410   1.296   1.501
  473   3HD1  LEU  65          3HD1      LEU  65   6.871   1.587   2.430
  474   1HD2  LEU  65          1HD2      LEU  65   6.355   2.135  -0.532
  475   2HD2  LEU  65          2HD2      LEU  65   7.897   1.520  -1.154
  476   3HD2  LEU  65          3HD2      LEU  65   7.850   2.504   0.323
  477    H    GLY  66           H        GLY  66   9.972  -2.462   1.188
  478   1HA   GLY  66          2HA       GLY  66  12.266  -1.588   2.596
  479   2HA   GLY  66          1HA       GLY  66  11.660  -3.230   2.564
  480    H    LYS  67           H        LYS  67  11.799  -3.331  -0.381
  481    HA   LYS  67           HA       LYS  67  14.616  -4.046  -0.534
  482   1HB   LYS  67          2HB       LYS  67  12.618  -4.172  -2.781
  483   2HB   LYS  67          1HB       LYS  67  14.118  -5.053  -2.628
  484   1HG   LYS  67          2HG       LYS  67  11.618  -5.458  -1.020
  485   2HG   LYS  67          1HG       LYS  67  12.155  -6.501  -2.308
  486   1HD   LYS  67          2HD       LYS  67  13.335  -6.101   0.443
  487   2HD   LYS  67          1HD       LYS  67  12.635  -7.559  -0.251
  488   1HE   LYS  67          2HE       LYS  67  14.652  -7.308  -1.972
  489   2HE   LYS  67          1HE       LYS  67  15.104  -6.208  -0.635
  490   1HZ   LYS  67          1HZ       LYS  67  16.016  -8.550  -0.493
  491   2HZ   LYS  67          2HZ       LYS  67  14.485  -8.966   0.081
  492   3HZ   LYS  67          3HZ       LYS  67  15.414  -7.754   0.851
  493    H    MET  68           H        MET  68  12.476  -1.576  -1.618
  494    HA   MET  68           HA       MET  68  12.779   0.503  -2.424
  495   1HB   MET  68          2HB       MET  68  15.723  -0.198  -2.668
  496   2HB   MET  68          1HB       MET  68  15.059   1.403  -2.971
  497   1HG   MET  68          2HG       MET  68  14.340   1.485  -0.607
  498   2HG   MET  68          1HG       MET  68  15.062  -0.093  -0.373
  499   1HE   MET  68          1HE       MET  68  17.716   0.072  -2.130
  500   2HE   MET  68          2HE       MET  68  17.657  -0.613  -0.509
  501   3HE   MET  68          3HE       MET  68  18.876   0.598  -0.912
  502    H    SER  69           H        SER  69  12.156  -1.843  -3.749
  503    HA   SER  69           HA       SER  69  13.045  -1.450  -6.549
  504   1HB   SER  69          2HB       SER  69  11.760  -3.818  -5.157
  505   2HB   SER  69          1HB       SER  69  12.368  -3.737  -6.807
  506    HG   SER  69           HG       SER  69  14.408  -3.053  -5.577
  507    H    LYS  70           H        LYS  70  11.658  -1.543  -8.131
  508    HA   LYS  70           HA       LYS  70   8.972  -0.537  -7.481
  509   1HB   LYS  70          2HB       LYS  70  10.833  -0.032  -9.776
  510   2HB   LYS  70          1HB       LYS  70   9.197   0.605  -9.644
  511   1HG   LYS  70          2HG       LYS  70   9.730   2.032  -7.947
  512   2HG   LYS  70          1HG       LYS  70  11.137   1.094  -7.445
  513   1HD   LYS  70          2HD       LYS  70  12.344   1.766  -9.355
  514   2HD   LYS  70          1HD       LYS  70  10.932   2.515 -10.059
  515   1HE   LYS  70          2HE       LYS  70  12.485   4.196  -9.100
  516   2HE   LYS  70          1HE       LYS  70  10.954   4.198  -8.227
  517   1HZ   LYS  70          1HZ       LYS  70  11.974   2.839  -6.527
  518   2HZ   LYS  70          2HZ       LYS  70  12.834   4.268  -6.722
  519   3HZ   LYS  70          3HZ       LYS  70  13.441   2.824  -7.362
  520    H    ASN  71           H        ASN  71  10.844  -2.925  -9.056
  521    HA   ASN  71           HA       ASN  71   9.129  -3.751 -11.051
  522   1HB   ASN  71          2HB       ASN  71  10.305  -6.003 -10.786
  523   2HB   ASN  71          1HB       ASN  71  11.340  -4.614 -11.088
  524   1HD2  ASN  71          1HD2      ASN  71  10.558  -7.142  -8.883
  525   2HD2  ASN  71          2HD2      ASN  71  11.765  -6.714  -7.715
  526    H    GLU  72           H        GLU  72   7.285  -4.647 -11.134
  527    HA   GLU  72           HA       GLU  72   5.499  -4.656  -9.002
  528   1HB   GLU  72          2HB       GLU  72   5.281  -6.045 -11.642
  529   2HB   GLU  72          1HB       GLU  72   3.953  -5.713 -10.554
  530   1HG   GLU  72          2HG       GLU  72   4.205  -3.361 -10.847
  531   2HG   GLU  72          1HG       GLU  72   5.679  -3.589 -11.786
  532    H    GLU  73           H        GLU  73   7.492  -7.187 -10.193
  533    HA   GLU  73           HA       GLU  73   5.973  -9.347  -9.106
  534   1HB   GLU  73          2HB       GLU  73   8.877  -9.224  -9.887
  535   2HB   GLU  73          1HB       GLU  73   8.010 -10.698  -9.484
  536   1HG   GLU  73          2HG       GLU  73   6.541 -10.372 -11.398
  537   2HG   GLU  73          1HG       GLU  73   7.374  -8.867 -11.786
  538    H    ASP  74           H        ASP  74   8.126  -7.059  -7.770
  539    HA   ASP  74           HA       ASP  74   8.641  -8.688  -5.402
  540   1HB   ASP  74          2HB       ASP  74  10.504  -7.470  -6.501
  541   2HB   ASP  74          1HB       ASP  74   9.677  -5.961  -6.169
  542    H    VAL  75           H        VAL  75   7.001  -5.827  -6.555
  543    HA   VAL  75           HA       VAL  75   6.215  -4.767  -4.033
  544    HB   VAL  75           HB       VAL  75   4.533  -4.545  -6.543
  545   1HG1  VAL  75          1HG1      VAL  75   5.064  -2.623  -4.303
  546   2HG1  VAL  75          2HG1      VAL  75   3.647  -3.642  -4.462
  547   3HG1  VAL  75          3HG1      VAL  75   3.954  -2.359  -5.648
  548   1HG2  VAL  75          1HG2      VAL  75   6.845  -4.050  -7.210
  549   2HG2  VAL  75          2HG2      VAL  75   6.960  -2.859  -5.911
  550   3HG2  VAL  75          3HG2      VAL  75   5.832  -2.611  -7.236
  551    H    SER  76           H        SER  76   4.942  -5.651  -2.575
  552    HA   SER  76           HA       SER  76   2.806  -7.446  -3.198
  553   1HB   SER  76          2HB       SER  76   5.001  -8.726  -3.627
  554   2HB   SER  76          1HB       SER  76   5.293  -8.569  -1.915
  555    HG   SER  76           HG       SER  76   3.344  -9.993  -3.261
  556    HA   PRO  77           HA       PRO  77   1.881  -6.115   1.036
  557   1HB   PRO  77          2HB       PRO  77   0.031  -7.932   1.724
  558   2HB   PRO  77          1HB       PRO  77  -0.304  -6.718   0.492
  559   1HG   PRO  77          2HG       PRO  77   0.525  -9.577   0.155
  560   2HG   PRO  77          1HG       PRO  77  -0.756  -8.684  -0.685
  561   1HD   PRO  77          2HD       PRO  77   1.664  -9.104  -1.794
  562   2HD   PRO  77          1HD       PRO  77   0.723  -7.632  -2.101
  563    H    SER  78           H        SER  78   4.066  -8.298   0.627
  564    HA   SER  78           HA       SER  78   3.788  -9.653   3.252
  565   1HB   SER  78          2HB       SER  78   3.812 -11.187   1.265
  566   2HB   SER  78          1HB       SER  78   5.385 -10.462   0.872
  567    HG   SER  78           HG       SER  78   6.176 -11.929   2.067
  568    H    LEU  79           H        LEU  79   5.098  -9.491   4.677
  569    HA   LEU  79           HA       LEU  79   7.403  -7.737   4.294
  570   1HB   LEU  79          2HB       LEU  79   5.621  -8.287   6.613
  571   2HB   LEU  79          1HB       LEU  79   7.226  -7.643   6.840
  572    HG   LEU  79           HG       LEU  79   5.559  -5.912   6.946
  573   1HD1  LEU  79          1HD1      LEU  79   7.181  -5.684   4.414
  574   2HD1  LEU  79          2HD1      LEU  79   7.738  -5.364   6.055
  575   3HD1  LEU  79          3HD1      LEU  79   6.483  -4.355   5.351
  576   1HD2  LEU  79          1HD2      LEU  79   4.369  -5.235   4.931
  577   2HD2  LEU  79          2HD2      LEU  79   3.793  -6.789   5.586
  578   3HD2  LEU  79          3HD2      LEU  79   4.854  -6.737   4.157
  579    H    GLU  80           H        GLU  80   6.324 -10.836   5.534
  580    HA   GLU  80           HA       GLU  80   8.921 -11.130   6.653
  581   1HB   GLU  80          2HB       GLU  80   7.129 -11.776   8.017
  582   2HB   GLU  80          1HB       GLU  80   6.605 -13.023   6.881
  583   1HG   GLU  80          2HG       GLU  80   8.652 -14.214   7.235
  584   2HG   GLU  80          1HG       GLU  80   9.269 -12.909   8.243
  585    H    GLY  81           H        GLY  81   9.935 -10.991   4.867
  586   1HA   GLY  81          2HA       GLY  81  10.886 -13.529   4.232
  587   2HA   GLY  81          1HA       GLY  81  10.241 -12.714   2.789
  588    H    LEU  82           H        LEU  82  11.438 -10.818   5.345
  589    HA   LEU  82           HA       LEU  82  14.047 -10.548   4.411
  590   1HB   LEU  82          2HB       LEU  82  13.735  -8.014   4.135
  591   2HB   LEU  82          1HB       LEU  82  13.370  -8.997   2.767
  592    HG   LEU  82           HG       LEU  82  10.889  -8.733   3.486
  593   1HD1  LEU  82          1HD1      LEU  82  11.327  -7.913   5.732
  594   2HD1  LEU  82          2HD1      LEU  82  10.416  -6.774   4.678
  595   3HD1  LEU  82          3HD1      LEU  82  12.149  -6.525   4.957
  596   1HD2  LEU  82          1HD2      LEU  82  11.845  -7.589   1.586
  597   2HD2  LEU  82          2HD2      LEU  82  12.427  -6.320   2.694
  598   3HD2  LEU  82          3HD2      LEU  82  10.705  -6.568   2.480
  599    H    THR  83           H        THR  83  15.299  -8.970   5.771
  600    HA   THR  83           HA       THR  83  14.556  -9.607   8.495
  601    HB   THR  83           HB       THR  83  16.958  -9.056   8.909
  602    HG1  THR  83           1HG      THR  83  18.142  -9.008   6.803
  603   1HG2  THR  83          1HG2      THR  83  16.420 -10.980   6.667
  604   2HG2  THR  83          2HG2      THR  83  16.157 -11.328   8.371
  605   3HG2  THR  83          3HG2      THR  83  17.802 -11.053   7.771
  606    H    GLU  84           H        GLU  84  15.895  -7.823  10.008
  607    HA   GLU  84           HA       GLU  84  14.158  -5.650  10.018
  608   1HB   GLU  84          2HB       GLU  84  16.656  -6.127  11.600
  609   2HB   GLU  84          1HB       GLU  84  15.643  -4.704  11.807
  610   1HG   GLU  84          2HG       GLU  84  13.740  -6.149  12.333
  611   2HG   GLU  84          1HG       GLU  84  14.782  -7.556  12.158
  612    H    LYS  85           H        LYS  85  17.418  -5.852   8.742
  613    HA   LYS  85           HA       LYS  85  17.894  -3.087   8.355
  614   1HB   LYS  85          2HB       LYS  85  19.453  -3.771   6.571
  615   2HB   LYS  85          1HB       LYS  85  19.593  -4.887   7.934
  616   1HG   LYS  85          2HG       LYS  85  18.069  -6.421   6.783
  617   2HG   LYS  85          1HG       LYS  85  17.988  -5.292   5.473
  618   1HD   LYS  85          2HD       LYS  85  19.416  -7.070   4.909
  619   2HD   LYS  85          1HD       LYS  85  20.328  -5.561   4.942
  620   1HE   LYS  85          2HE       LYS  85  21.205  -6.135   7.180
  621   2HE   LYS  85          1HE       LYS  85  20.316  -7.659   7.141
  622   1HZ   LYS  85          1HZ       LYS  85  22.631  -7.975   6.535
  623   2HZ   LYS  85          2HZ       LYS  85  22.493  -6.882   5.264
  624   3HZ   LYS  85          3HZ       LYS  85  21.638  -8.322   5.228
  625    H    GLU  86           H        GLU  86  16.092  -5.424   6.603
  626    HA   GLU  86           HA       GLU  86  15.509  -4.035   4.188
  627   1HB   GLU  86          2HB       GLU  86  14.529  -6.374   5.668
  628   2HB   GLU  86          1HB       GLU  86  13.923  -6.074   4.093
  629   1HG   GLU  86          2HG       GLU  86  16.754  -6.746   4.956
  630   2HG   GLU  86          1HG       GLU  86  15.679  -7.787   4.060
  631    H    ILE  87           H        ILE  87  13.670  -5.218   6.886
  632    HA   ILE  87           HA       ILE  87  11.273  -3.949   6.549
  633    HB   ILE  87           HB       ILE  87  12.801  -5.011   8.799
  634   1HG1  ILE  87          2HG1      ILE  87  11.617  -6.429   7.242
  635   2HG1  ILE  87          1HG1      ILE  87  11.083  -6.713   8.881
  636   1HG2  ILE  87          1HG2      ILE  87  10.907  -4.629  10.375
  637   2HG2  ILE  87          2HG2      ILE  87  10.159  -3.632   9.101
  638   3HG2  ILE  87          3HG2      ILE  87  11.697  -3.131   9.822
  639   1HD1  ILE  87          1HD1      ILE  87   9.159  -6.687   7.426
  640   2HD1  ILE  87          2HD1      ILE  87   9.678  -5.157   6.719
  641   3HD1  ILE  87          3HD1      ILE  87   9.136  -5.201   8.390
  642    H    ASN  88           H        ASN  88  14.132  -2.705   8.291
  643    HA   ASN  88           HA       ASN  88  12.886  -0.316   9.112
  644   1HB   ASN  88          2HB       ASN  88  15.761  -1.012   8.749
  645   2HB   ASN  88          1HB       ASN  88  15.309   0.671   8.998
  646   1HD2  ASN  88          1HD2      ASN  88  15.505  -2.487  10.406
  647   2HD2  ASN  88          2HD2      ASN  88  15.209  -2.048  12.039
  648    H    THR  89           H        THR  89  14.262  -1.204   6.127
  649    HA   THR  89           HA       THR  89  14.416   1.363   5.065
  650    HB   THR  89           HB       THR  89  14.038  -1.259   3.596
  651    HG1  THR  89           1HG      THR  89  15.928  -1.433   4.775
  652   1HG2  THR  89          1HG2      THR  89  15.158   1.399   2.784
  653   2HG2  THR  89          2HG2      THR  89  13.615   0.706   2.243
  654   3HG2  THR  89          3HG2      THR  89  15.148  -0.056   1.775
  655    H    LEU  90           H        LEU  90  11.735  -1.093   4.959
  656    HA   LEU  90           HA       LEU  90  10.036   0.705   3.482
  657   1HB   LEU  90          2HB       LEU  90   8.578  -1.056   3.306
  658   2HB   LEU  90          1HB       LEU  90   9.670  -2.037   4.231
  659    HG   LEU  90           HG       LEU  90   7.848  -0.286   5.759
  660   1HD1  LEU  90          1HD1      LEU  90   6.937  -2.644   4.190
  661   2HD1  LEU  90          2HD1      LEU  90   6.449  -0.931   4.048
  662   3HD1  LEU  90          3HD1      LEU  90   6.049  -1.844   5.506
  663   1HD2  LEU  90          1HD2      LEU  90   8.633  -3.158   5.952
  664   2HD2  LEU  90          2HD2      LEU  90   7.567  -2.254   7.031
  665   3HD2  LEU  90          3HD2      LEU  90   9.288  -1.800   6.908
  666    H    ASN  91           H        ASN  91  10.740   0.120   6.757
  667    HA   ASN  91           HA       ASN  91   8.546   1.209   8.077
  668   1HB   ASN  91          2HB       ASN  91  10.700  -0.062   8.919
  669   2HB   ASN  91          1HB       ASN  91  11.328   1.568   9.134
  670   1HD2  ASN  91          1HD2      ASN  91   9.058  -0.782  10.145
  671   2HD2  ASN  91          2HD2      ASN  91   8.546  -0.092  11.603
  672    H    ASP  92           H        ASP  92  11.272   2.567   6.589
  673    HA   ASP  92           HA       ASP  92  11.111   5.286   7.494
  674   1HB   ASP  92          2HB       ASP  92  13.128   4.359   6.348
  675   2HB   ASP  92          1HB       ASP  92  12.203   4.242   4.858
  676    H    TRP  93           H        TRP  93  10.045   3.627   4.578
  677    HA   TRP  93           HA       TRP  93   8.663   5.722   3.327
  678   1HB   TRP  93          2HB       TRP  93   8.336   2.756   3.170
  679   2HB   TRP  93          1HB       TRP  93   7.438   3.857   2.139
  680    HD1  TRP  93           HD       TRP  93  10.936   2.382   2.669
  681    HE1  TRP  93           1HE      TRP  93  12.336   2.793   0.557
  682    HE3  TRP  93           3HE      TRP  93   7.746   5.475   0.201
  683    HZ2  TRP  93           2HZ      TRP  93  12.115   4.256  -1.850
  684    HZ3  TRP  93           3HZ      TRP  93   8.402   6.349  -2.010
  685    HH2  TRP  93           HH       TRP  93  10.536   5.751  -3.010
  686    H    GLU  94           H        GLU  94   7.444   3.213   5.531
  687    HA   GLU  94           HA       GLU  94   4.732   3.803   5.558
  688   1HB   GLU  94          2HB       GLU  94   6.461   3.145   7.948
  689   2HB   GLU  94          1HB       GLU  94   4.709   3.080   7.929
  690   1HG   GLU  94          2HG       GLU  94   4.777   1.337   6.298
  691   2HG   GLU  94          1HG       GLU  94   6.544   1.366   6.258
  692    H    THR  95           H        THR  95   7.254   5.190   7.412
  693    HA   THR  95           HA       THR  95   5.897   6.990   9.066
  694    HB   THR  95           HB       THR  95   8.680   7.212   7.916
  695    HG1  THR  95           1HG      THR  95   8.559   5.270   8.967
  696   1HG2  THR  95          1HG2      THR  95   7.519   8.374  10.469
  697   2HG2  THR  95          2HG2      THR  95   7.940   9.290   9.024
  698   3HG2  THR  95          3HG2      THR  95   9.204   8.499   9.960
  699    H    LYS  96           H        LYS  96   6.961   7.269   5.747
  700    HA   LYS  96           HA       LYS  96   6.803  10.132   5.675
  701   1HB   LYS  96          2HB       LYS  96   7.166   8.119   3.453
  702   2HB   LYS  96          1HB       LYS  96   7.442   9.861   3.342
  703   1HG   LYS  96          2HG       LYS  96   8.913   8.003   5.179
  704   2HG   LYS  96          1HG       LYS  96   9.565   8.525   3.645
  705   1HD   LYS  96          2HD       LYS  96   9.507  10.857   4.444
  706   2HD   LYS  96          1HD       LYS  96   8.796  10.317   5.963
  707   1HE   LYS  96          2HE       LYS  96  11.178  10.746   6.217
  708   2HE   LYS  96          1HE       LYS  96  10.810   9.046   6.453
  709   1HZ   LYS  96          1HZ       LYS  96  11.693   8.521   4.326
  710   2HZ   LYS  96          2HZ       LYS  96  12.817   9.537   5.081
  711   3HZ   LYS  96          3HZ       LYS  96  11.795  10.154   3.893
  712    H    PHE  97           H        PHE  97   5.034   7.404   4.490
  713    HA   PHE  97           HA       PHE  97   2.930   8.857   3.279
  714   1HB   PHE  97          2HB       PHE  97   3.366   6.056   4.168
  715   2HB   PHE  97          1HB       PHE  97   1.792   6.531   3.586
  716    HD1  PHE  97           1HD      PHE  97   5.378   6.878   2.566
  717    HD2  PHE  97           2HD      PHE  97   1.386   6.114   1.333
  718    HE1  PHE  97           1HE      PHE  97   6.158   6.527   0.267
  719    HE2  PHE  97           2HE      PHE  97   2.173   5.754  -0.976
  720    HZ   PHE  97           HZ       PHE  97   4.552   5.961  -1.502
  721    H    GLU  98           H        GLU  98   3.475   7.474   6.408
  722    HA   GLU  98           HA       GLU  98   1.041   7.707   7.657
  723   1HB   GLU  98          2HB       GLU  98   3.781   7.364   8.323
  724   2HB   GLU  98          1HB       GLU  98   3.023   8.190   9.633
  725   1HG   GLU  98          2HG       GLU  98   2.245   5.551   8.405
  726   2HG   GLU  98          1HG       GLU  98   3.015   5.832   9.963
  727    H    ALA  99           H        ALA  99   3.176  10.347   6.783
  728    HA   ALA  99           HA       ALA  99   1.825  12.010   8.748
  729   1HB   ALA  99          1HB       ALA  99   4.262  12.087   8.713
  730   2HB   ALA  99          2HB       ALA  99   3.556  13.642   8.265
  731   3HB   ALA  99          3HB       ALA  99   4.222  12.584   7.022
  732    H    LYS 100           H        LYS 100   1.451  11.046   5.573
  733    HA   LYS 100           HA       LYS 100   0.579  13.742   4.754
  734   1HB   LYS 100          2HB       LYS 100   1.285  11.477   2.899
  735   2HB   LYS 100          1HB       LYS 100   1.093  13.177   2.528
  736   1HG   LYS 100          2HG       LYS 100   3.343  11.929   4.075
  737   2HG   LYS 100          1HG       LYS 100   3.412  12.545   2.429
  738   1HD   LYS 100          2HD       LYS 100   2.882  14.791   3.335
  739   2HD   LYS 100          1HD       LYS 100   2.951  14.112   4.952
  740   1HE   LYS 100          2HE       LYS 100   5.217  13.397   4.626
  741   2HE   LYS 100          1HE       LYS 100   5.227  14.016   2.978
  742   1HZ   LYS 100          1HZ       LYS 100   6.337  15.513   4.463
  743   2HZ   LYS 100          2HZ       LYS 100   4.992  15.639   5.466
  744   3HZ   LYS 100          3HZ       LYS 100   4.941  16.247   3.867
  745    H    TYR 101           H        TYR 101   0.003  10.269   4.461
  746    HA   TYR 101           HA       TYR 101  -2.647  10.815   3.382
  747   1HB   TYR 101          2HB       TYR 101  -1.032   8.285   3.342
  748   2HB   TYR 101          1HB       TYR 101  -2.519   8.623   2.463
  749    HD1  TYR 101           1HD      TYR 101   0.861   8.257   2.076
  750    HD2  TYR 101           2HD      TYR 101  -2.252  10.948   0.998
  751    HE1  TYR 101           1HE      TYR 101   2.220   9.066   0.227
  752    HE2  TYR 101           2HE      TYR 101  -0.888  11.770  -0.880
  753    HH   TYR 101           HH       TYR 101   1.488  11.881  -1.500
  754    HA   PRO 102           HA       PRO 102  -4.253   9.010   7.118
  755   1HB   PRO 102          2HB       PRO 102  -6.810   8.921   6.459
  756   2HB   PRO 102          1HB       PRO 102  -5.995  10.485   6.609
  757   1HG   PRO 102          2HG       PRO 102  -6.603   8.905   4.139
  758   2HG   PRO 102          1HG       PRO 102  -6.875  10.631   4.424
  759   1HD   PRO 102          2HD       PRO 102  -4.677   9.673   3.097
  760   2HD   PRO 102          1HD       PRO 102  -4.683  11.160   4.080
  761    H    VAL 103           H        VAL 103  -4.611   6.999   7.803
  762    HA   VAL 103           HA       VAL 103  -4.682   4.827   5.901
  763    HB   VAL 103           HB       VAL 103  -4.864   4.697   8.940
  764   1HG1  VAL 103          1HG1      VAL 103  -5.818   2.708   7.864
  765   2HG1  VAL 103          2HG1      VAL 103  -4.297   2.333   8.683
  766   3HG1  VAL 103          3HG1      VAL 103  -4.329   2.513   6.933
  767   1HG2  VAL 103          1HG2      VAL 103  -2.533   4.270   7.092
  768   2HG2  VAL 103          2HG2      VAL 103  -2.546   3.917   8.806
  769   3HG2  VAL 103          3HG2      VAL 103  -2.733   5.588   8.253
  770    H    VAL 104           H        VAL 104  -6.452   4.498   4.930
  771    HA   VAL 104           HA       VAL 104  -9.004   5.047   6.261
  772    HB   VAL 104           HB       VAL 104 -10.039   4.840   3.999
  773   1HG1  VAL 104          1HG1      VAL 104  -9.323   7.016   4.859
  774   2HG1  VAL 104          2HG1      VAL 104  -9.097   6.925   3.113
  775   3HG1  VAL 104          3HG1      VAL 104  -7.710   6.757   4.191
  776   1HG2  VAL 104          1HG2      VAL 104  -8.574   4.766   2.038
  777   2HG2  VAL 104          2HG2      VAL 104  -8.403   3.298   3.008
  778   3HG2  VAL 104          3HG2      VAL 104  -7.177   4.566   3.092
  779    H    GLY 105           H        GLY 105  -7.120   2.465   6.155
  780   1HA   GLY 105          2HA       GLY 105  -8.881   0.738   7.215
  781   2HA   GLY 105          1HA       GLY 105  -9.102   0.509   5.488
  782    H    ARG 106           H        ARG 106  -8.471  -1.612   6.046
  783    HA   ARG 106           HA       ARG 106  -5.556  -2.018   6.402
  784   1HB   ARG 106          2HB       ARG 106  -6.174  -4.325   6.928
  785   2HB   ARG 106          1HB       ARG 106  -6.849  -3.248   8.107
  786   1HG   ARG 106          2HG       ARG 106  -8.995  -3.365   7.073
  787   2HG   ARG 106          1HG       ARG 106  -8.295  -4.272   5.732
  788   1HD   ARG 106          2HD       ARG 106  -9.443  -5.750   7.235
  789   2HD   ARG 106          1HD       ARG 106  -7.683  -5.986   7.127
  790    HE   ARG 106           HE       ARG 106  -7.715  -4.610   9.293
  791   1HH1  ARG 106          1HH1      ARG 106 -10.190  -7.038   8.376
  792   2HH1  ARG 106          2HH1      ARG 106 -10.573  -7.388   9.998
  793   1HH2  ARG 106          1HH2      ARG 106  -8.258  -5.164  11.476
  794   2HH2  ARG 106          2HH2      ARG 106  -9.471  -6.334  11.786
  795    H    VAL 107           H        VAL 107  -4.621  -3.645   5.121
  796    HA   VAL 107           HA       VAL 107  -6.357  -4.631   3.033
  797    HB   VAL 107           HB       VAL 107  -4.498  -3.216   2.072
  798   1HG1  VAL 107          1HG1      VAL 107  -2.829  -5.377   3.196
  799   2HG1  VAL 107          2HG1      VAL 107  -2.788  -3.615   3.543
  800   3HG1  VAL 107          3HG1      VAL 107  -2.282  -4.231   1.959
  801   1HG2  VAL 107          1HG2      VAL 107  -4.492  -6.107   1.437
  802   2HG2  VAL 107          2HG2      VAL 107  -3.937  -4.828   0.319
  803   3HG2  VAL 107          3HG2      VAL 107  -5.643  -4.928   0.850
  804    H    VAL 108           H        VAL 108  -6.371  -6.723   2.700
  805    HA   VAL 108           HA       VAL 108  -5.069  -8.326   4.749
  806    HB   VAL 108           HB       VAL 108  -7.166  -9.626   4.973
  807   1HG1  VAL 108          1HG1      VAL 108  -8.303  -7.905   6.234
  808   2HG1  VAL 108          2HG1      VAL 108  -7.516  -6.727   5.218
  809   3HG1  VAL 108          3HG1      VAL 108  -6.521  -7.693   6.365
  810   1HG2  VAL 108          1HG2      VAL 108  -8.161  -9.020   2.779
  811   2HG2  VAL 108          2HG2      VAL 108  -8.291  -7.362   3.461
  812   3HG2  VAL 108          3HG2      VAL 108  -9.210  -8.659   4.184
  813    H    SER 109           H        SER 109  -4.582 -10.306   4.308
  814    HA   SER 109           HA       SER 109  -5.366 -11.473   1.816
  815   1HB   SER 109          2HB       SER 109  -3.162 -10.426   1.464
  816   2HB   SER 109          1HB       SER 109  -2.596 -11.231   2.933
  817    HG   SER 109           HG       SER 109  -2.441 -13.085   1.868
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1 -14.723  13.055 -11.144
    2   2H    MET   1          2HT       MET   1 -13.365  12.886 -10.193
    3   3H    MET   1          3HT       MET   1 -13.380  14.043 -11.437
    4    HA   MET   1           HA       MET   1 -13.682  15.050  -9.258
    5   1HB   MET   1          2HB       MET   1 -14.824  16.041 -11.231
    6   2HB   MET   1          1HB       MET   1 -16.215  15.014 -10.920
    7   1HG   MET   1          2HG       MET   1 -16.551  16.136  -8.776
    8   2HG   MET   1          1HG       MET   1 -15.169  17.175  -9.113
    9   1HE   MET   1          1HE       MET   1 -16.686  19.280  -8.641
   10   2HE   MET   1          2HE       MET   1 -18.106  18.271  -8.366
   11   3HE   MET   1          3HE       MET   1 -18.188  19.624  -9.495
   12    H    GLY   2           H        GLY   2 -14.512  14.875  -7.228
   13   1HA   GLY   2          2HA       GLY   2 -16.814  13.907  -6.302
   14   2HA   GLY   2          1HA       GLY   2 -15.915  12.429  -6.624
   15    H    HIS   3           H        HIS   3 -14.010  12.014  -5.505
   16    HA   HIS   3           HA       HIS   3 -12.725  11.816  -3.671
   17   1HB   HIS   3          2HB       HIS   3 -13.180  14.795  -3.272
   18   2HB   HIS   3          1HB       HIS   3 -11.972  13.832  -2.441
   19    HD1  HIS   3           1HD      HIS   3 -12.509  15.887  -5.405
   20    HD2  HIS   3           2HD      HIS   3  -9.871  12.883  -4.266
   21    HE1  HIS   3           1HE      HIS   3 -10.605  16.026  -7.003
   22    HE2  HIS   3           2HE      HIS   3  -8.928  14.421  -6.148
   23    H    HIS   4           H        HIS   4 -14.289  10.488  -2.728
   24    HA   HIS   4           HA       HIS   4 -15.837  11.789  -0.612
   25   1HB   HIS   4          2HB       HIS   4 -16.203   9.029  -1.814
   26   2HB   HIS   4          1HB       HIS   4 -17.174   9.694  -0.509
   27    HD1  HIS   4           1HD      HIS   4 -16.995   9.443  -4.126
   28    HD2  HIS   4           2HD      HIS   4 -18.761  12.014  -1.384
   29    HE1  HIS   4           1HE      HIS   4 -18.750  10.689  -5.406
   30    HE2  HIS   4           2HE      HIS   4 -19.607  12.398  -3.809
   31    H    HIS   5           H        HIS   5 -14.394  11.971   0.953
   32    HA   HIS   5           HA       HIS   5 -12.634   9.825   1.667
   33   1HB   HIS   5          2HB       HIS   5 -11.903  12.170   1.873
   34   2HB   HIS   5          1HB       HIS   5 -13.187  12.484   3.023
   35    HD1  HIS   5           1HD      HIS   5  -9.716  11.242   2.765
   36    HD2  HIS   5           2HD      HIS   5 -12.742  11.283   5.614
   37    HE1  HIS   5           1HE      HIS   5  -8.603  10.725   4.947
   38    HE2  HIS   5           2HE      HIS   5 -10.400  10.991   6.663
   39    H    HIS   6           H        HIS   6 -13.413   8.138   2.660
   40    HA   HIS   6           HA       HIS   6 -15.786   8.274   4.297
   41   1HB   HIS   6          2HB       HIS   6 -13.907   5.945   3.777
   42   2HB   HIS   6          1HB       HIS   6 -15.471   5.847   4.567
   43    HD1  HIS   6           1HD      HIS   6 -13.880   5.603   1.327
   44    HD2  HIS   6           2HD      HIS   6 -17.673   6.515   2.737
   45    HE1  HIS   6           1HE      HIS   6 -15.404   5.348  -0.641
   46    HE2  HIS   6           2HE      HIS   6 -17.695   5.621   0.310
   47    H    HIS   7           H        HIS   7 -15.786   7.579   6.524
   48    HA   HIS   7           HA       HIS   7 -13.221   7.622   7.781
   49   1HB   HIS   7          2HB       HIS   7 -13.850   9.313   9.485
   50   2HB   HIS   7          1HB       HIS   7 -13.782   9.975   7.867
   51    HD1  HIS   7           1HD      HIS   7 -16.065  10.818   6.842
   52    HD2  HIS   7           2HD      HIS   7 -16.321   9.421  10.750
   53    HE1  HIS   7           1HE      HIS   7 -18.270  11.588   7.692
   54    HE2  HIS   7           2HE      HIS   7 -18.166  11.084  10.143
   55    H    HIS   8           H        HIS   8 -13.351   5.617   8.258
   56    HA   HIS   8           HA       HIS   8 -14.505   4.888  10.689
   57   1HB   HIS   8          2HB       HIS   8 -16.549   4.800   9.106
   58   2HB   HIS   8          1HB       HIS   8 -15.757   3.476   8.281
   59    HD1  HIS   8           1HD      HIS   8 -17.396   4.379  11.551
   60    HD2  HIS   8           2HD      HIS   8 -16.083   1.005   9.520
   61    HE1  HIS   8           1HE      HIS   8 -18.334   2.434  12.800
   62    HE2  HIS   8           2HE      HIS   8 -17.285   0.429  11.719
   63    H    LEU   9           H        LEU   9 -14.185   2.860   7.787
   64    HA   LEU   9           HA       LEU   9 -11.621   2.605   7.314
   65   1HB   LEU   9          2HB       LEU   9 -10.660   0.679   8.394
   66   2HB   LEU   9          1HB       LEU   9 -11.269   1.665   9.687
   67    HG   LEU   9           HG       LEU   9 -11.619  -0.575  10.293
   68   1HD1  LEU   9          1HD1      LEU   9 -13.447   0.760  10.903
   69   2HD1  LEU   9          2HD1      LEU   9 -13.997  -0.874  10.500
   70   3HD1  LEU   9          3HD1      LEU   9 -14.207   0.456   9.341
   71   1HD2  LEU   9          1HD2      LEU   9 -12.882  -1.104   7.592
   72   2HD2  LEU   9          2HD2      LEU   9 -12.843  -2.265   8.917
   73   3HD2  LEU   9          3HD2      LEU   9 -11.339  -1.714   8.177
   74    H    GLU  10           H        GLU  10 -11.253   0.910   5.785
   75    HA   GLU  10           HA       GLU  10 -13.601  -0.698   5.263
   76   1HB   GLU  10          2HB       GLU  10 -13.673   1.250   3.758
   77   2HB   GLU  10          1HB       GLU  10 -12.070   0.837   3.172
   78   1HG   GLU  10          2HG       GLU  10 -13.834   0.164   1.681
   79   2HG   GLU  10          1HG       GLU  10 -12.886  -1.222   2.233
   80    H    GLU  11           H        GLU  11 -13.134  -2.775   4.525
   81    HA   GLU  11           HA       GLU  11 -10.407  -3.468   4.675
   82   1HB   GLU  11          2HB       GLU  11 -11.800  -4.775   6.024
   83   2HB   GLU  11          1HB       GLU  11 -12.963  -5.000   4.721
   84   1HG   GLU  11          2HG       GLU  11 -11.535  -6.370   3.553
   85   2HG   GLU  11          1HG       GLU  11 -10.153  -6.059   4.542
   86    H    PHE  12           H        PHE  12  -9.297  -3.863   3.009
   87    HA   PHE  12           HA       PHE  12 -10.627  -4.418   0.473
   88   1HB   PHE  12          2HB       PHE  12  -8.005  -3.087   1.055
   89   2HB   PHE  12          1HB       PHE  12  -8.694  -3.701  -0.432
   90    HD1  PHE  12           1HD      PHE  12  -8.912  -1.089   2.158
   91    HD2  PHE  12           2HD      PHE  12 -10.416  -2.382  -1.607
   92    HE1  PHE  12           1HE      PHE  12  -9.984   1.099   1.844
   93    HE2  PHE  12           2HE      PHE  12 -11.496  -0.195  -1.925
   94    HZ   PHE  12           HZ       PHE  12 -11.278   1.550  -0.198
   95    H    THR  13           H        THR  13  -9.791  -6.176  -0.615
   96    HA   THR  13           HA       THR  13  -7.748  -7.652   0.837
   97    HB   THR  13           HB       THR  13  -9.239  -8.519  -1.652
   98    HG1  THR  13           1HG      THR  13 -10.876  -8.922  -0.468
   99   1HG2  THR  13          1HG2      THR  13  -7.262  -9.697  -1.061
  100   2HG2  THR  13          2HG2      THR  13  -8.695 -10.737  -0.823
  101   3HG2  THR  13          3HG2      THR  13  -7.869  -9.968   0.569
  102    H    ALA  14           H        ALA  14  -5.892  -8.450  -0.487
  103    HA   ALA  14           HA       ALA  14  -4.553  -6.237  -1.597
  104   1HB   ALA  14          1HB       ALA  14  -3.383  -8.093  -0.513
  105   2HB   ALA  14          2HB       ALA  14  -2.722  -7.732  -2.109
  106   3HB   ALA  14          3HB       ALA  14  -3.769  -9.133  -1.886
  107    H    GLU  15           H        GLU  15  -5.897  -9.055  -3.209
  108    HA   GLU  15           HA       GLU  15  -5.175  -8.229  -5.805
  109   1HB   GLU  15          2HB       GLU  15  -7.313 -10.096  -4.828
  110   2HB   GLU  15          1HB       GLU  15  -6.892  -9.899  -6.522
  111   1HG   GLU  15          2HG       GLU  15  -4.704 -10.719  -6.163
  112   2HG   GLU  15          1HG       GLU  15  -4.903 -10.707  -4.419
  113    H    GLN  16           H        GLN  16  -7.973  -7.543  -3.803
  114    HA   GLN  16           HA       GLN  16  -9.334  -6.252  -5.948
  115   1HB   GLN  16          2HB       GLN  16  -9.885  -6.250  -2.986
  116   2HB   GLN  16          1HB       GLN  16 -10.851  -5.295  -4.077
  117   1HG   GLN  16          2HG       GLN  16 -12.156  -7.150  -3.990
  118   2HG   GLN  16          1HG       GLN  16 -11.085  -7.638  -5.289
  119   1HE2  GLN  16          1HE2      GLN  16  -9.421  -9.187  -4.801
  120   2HE2  GLN  16          2HE2      GLN  16  -9.605 -10.249  -3.464
  121    H    LEU  17           H        LEU  17  -7.204  -5.258  -3.402
  122    HA   LEU  17           HA       LEU  17  -7.444  -2.465  -3.635
  123   1HB   LEU  17          2HB       LEU  17  -6.186  -3.992  -1.893
  124   2HB   LEU  17          1HB       LEU  17  -4.853  -3.875  -3.011
  125    HG   LEU  17           HG       LEU  17  -4.390  -2.258  -1.330
  126   1HD1  LEU  17          1HD1      LEU  17  -4.468  -0.149  -2.268
  127   2HD1  LEU  17          2HD1      LEU  17  -5.570  -0.740  -3.519
  128   3HD1  LEU  17          3HD1      LEU  17  -3.920  -1.389  -3.406
  129   1HD2  LEU  17          1HD2      LEU  17  -7.199  -1.274  -1.592
  130   2HD2  LEU  17          2HD2      LEU  17  -5.923  -0.575  -0.596
  131   3HD2  LEU  17          3HD2      LEU  17  -6.526  -2.199  -0.241
  132    H    SER  18           H        SER  18  -5.561  -4.927  -5.322
  133    HA   SER  18           HA       SER  18  -3.738  -3.332  -6.729
  134   1HB   SER  18          2HB       SER  18  -4.810  -6.066  -7.434
  135   2HB   SER  18          1HB       SER  18  -3.406  -5.310  -8.188
  136    HG   SER  18           HG       SER  18  -3.666  -5.839  -5.396
  137    H    GLN  19           H        GLN  19  -6.912  -3.084  -7.124
  138    HA   GLN  19           HA       GLN  19  -6.739  -2.472  -9.987
  139   1HB   GLN  19          2HB       GLN  19  -9.108  -3.125  -8.236
  140   2HB   GLN  19          1HB       GLN  19  -9.238  -2.615  -9.918
  141   1HG   GLN  19          2HG       GLN  19  -8.105  -4.565 -10.683
  142   2HG   GLN  19          1HG       GLN  19  -7.673  -5.029  -9.040
  143   1HE2  GLN  19          1HE2      GLN  19  -9.177  -5.974  -7.768
  144   2HE2  GLN  19          2HE2      GLN  19 -10.683  -6.587  -8.340
  145    H    TYR  20           H        TYR  20  -6.847  -1.140  -6.889
  146    HA   TYR  20           HA       TYR  20  -8.213   1.291  -7.637
  147   1HB   TYR  20          2HB       TYR  20  -7.054   0.289  -5.046
  148   2HB   TYR  20          1HB       TYR  20  -7.609   1.945  -5.241
  149    HD1  TYR  20           1HD      TYR  20  -9.962   2.430  -5.549
  150    HD2  TYR  20           2HD      TYR  20  -8.652  -1.547  -4.891
  151    HE1  TYR  20           1HE      TYR  20 -12.246   1.795  -5.005
  152    HE2  TYR  20           2HE      TYR  20 -10.966  -2.212  -4.334
  153    HH   TYR  20           HH       TYR  20 -13.042  -1.090  -3.492
  154    H    ASN  21           H        ASN  21  -5.467   0.351  -8.619
  155    HA   ASN  21           HA       ASN  21  -3.677   2.406  -7.735
  156   1HB   ASN  21          2HB       ASN  21  -2.203   1.656  -9.643
  157   2HB   ASN  21          1HB       ASN  21  -2.630   0.397  -8.495
  158   1HD2  ASN  21          1HD2      ASN  21  -2.137  -1.158 -10.045
  159   2HD2  ASN  21          2HD2      ASN  21  -3.193  -1.499 -11.360
  160    H    GLY  22           H        GLY  22  -6.296   2.609  -9.570
  161   1HA   GLY  22          2HA       GLY  22  -7.090   4.712 -10.290
  162   2HA   GLY  22          1HA       GLY  22  -5.431   5.213 -10.644
  163    H    THR  23           H        THR  23  -5.625   2.209 -11.727
  164    HA   THR  23           HA       THR  23  -6.169   3.099 -14.423
  165    HB   THR  23           HB       THR  23  -5.013   0.535 -13.337
  166    HG1  THR  23           1HG      THR  23  -3.116   1.493 -13.402
  167   1HG2  THR  23          1HG2      THR  23  -5.851   0.307 -15.629
  168   2HG2  THR  23          2HG2      THR  23  -4.085   0.228 -15.599
  169   3HG2  THR  23          3HG2      THR  23  -4.901   1.712 -16.125
  170    H    ASP  24           H        ASP  24  -7.932   1.736 -11.917
  171    HA   ASP  24           HA       ASP  24  -9.563   0.051 -13.561
  172   1HB   ASP  24          2HB       ASP  24  -9.449   0.079 -10.864
  173   2HB   ASP  24          1HB       ASP  24 -10.499   1.437 -11.104
  174    H    GLU  25           H        GLU  25 -11.842   0.712 -13.961
  175    HA   GLU  25           HA       GLU  25 -11.786   3.266 -15.136
  176   1HB   GLU  25          2HB       GLU  25 -13.935   1.187 -14.991
  177   2HB   GLU  25          1HB       GLU  25 -14.037   2.678 -15.925
  178   1HG   GLU  25          2HG       GLU  25 -11.924   0.574 -16.286
  179   2HG   GLU  25          1HG       GLU  25 -13.390   0.755 -17.252
  180    H    SER  26           H        SER  26 -11.530   4.484 -13.505
  181    HA   SER  26           HA       SER  26 -12.300   6.348 -12.401
  182   1HB   SER  26          2HB       SER  26 -14.364   6.333 -13.672
  183   2HB   SER  26          1HB       SER  26 -15.021   5.054 -12.661
  184    HG   SER  26           HG       SER  26 -14.808   6.597 -10.902
  185    H    LYS  27           H        LYS  27 -11.592   3.600 -11.089
  186    HA   LYS  27           HA       LYS  27 -12.871   4.209  -8.586
  187   1HB   LYS  27          2HB       LYS  27 -11.138   1.799  -9.194
  188   2HB   LYS  27          1HB       LYS  27 -11.784   2.150  -7.600
  189   1HG   LYS  27          2HG       LYS  27 -14.043   2.334  -9.044
  190   2HG   LYS  27          1HG       LYS  27 -13.117   1.258 -10.043
  191   1HD   LYS  27          2HD       LYS  27 -13.370   0.653  -7.106
  192   2HD   LYS  27          1HD       LYS  27 -14.624   0.160  -8.232
  193   1HE   LYS  27          2HE       LYS  27 -11.730  -0.551  -8.607
  194   2HE   LYS  27          1HE       LYS  27 -12.833  -1.564  -7.672
  195   1HZ   LYS  27          1HZ       LYS  27 -12.657  -2.299  -9.954
  196   2HZ   LYS  27          2HZ       LYS  27 -13.108  -0.807 -10.533
  197   3HZ   LYS  27          3HZ       LYS  27 -14.227  -1.756  -9.682
  198    HA   PRO  28           HA       PRO  28 -10.040   6.796  -6.579
  199   1HB   PRO  28          2HB       PRO  28 -10.336   5.728  -4.002
  200   2HB   PRO  28          1HB       PRO  28 -11.322   7.005  -4.720
  201   1HG   PRO  28          2HG       PRO  28 -11.875   4.084  -4.494
  202   2HG   PRO  28          1HG       PRO  28 -12.993   5.451  -4.383
  203   1HD   PRO  28          2HD       PRO  28 -12.859   3.900  -6.545
  204   2HD   PRO  28          1HD       PRO  28 -13.161   5.642  -6.697
  205    H    ILE  29           H        ILE  29  -8.033   6.901  -5.506
  206    HA   ILE  29           HA       ILE  29  -6.337   4.596  -6.161
  207    HB   ILE  29           HB       ILE  29  -5.499   7.444  -5.524
  208   1HG1  ILE  29          2HG1      ILE  29  -6.132   6.296  -8.253
  209   2HG1  ILE  29          1HG1      ILE  29  -7.175   7.411  -7.381
  210   1HG2  ILE  29          1HG2      ILE  29  -3.524   6.836  -6.809
  211   2HG2  ILE  29          2HG2      ILE  29  -4.262   5.310  -7.253
  212   3HG2  ILE  29          3HG2      ILE  29  -3.776   5.573  -5.589
  213   1HD1  ILE  29          1HD1      ILE  29  -4.377   8.008  -8.193
  214   2HD1  ILE  29          2HD1      ILE  29  -5.565   9.128  -7.502
  215   3HD1  ILE  29          3HD1      ILE  29  -5.830   8.408  -9.097
  216    H    TYR  30           H        TYR  30  -5.072   3.549  -4.455
  217    HA   TYR  30           HA       TYR  30  -5.033   4.755  -1.844
  218   1HB   TYR  30          2HB       TYR  30  -6.346   2.072  -2.358
  219   2HB   TYR  30          1HB       TYR  30  -5.917   2.707  -0.782
  220    HD1  TYR  30           1HD      TYR  30  -7.028   4.982  -0.158
  221    HD2  TYR  30           2HD      TYR  30  -8.475   2.367  -3.164
  222    HE1  TYR  30           1HE      TYR  30  -9.254   6.011   0.032
  223    HE2  TYR  30           2HE      TYR  30 -10.696   3.381  -2.988
  224    HH   TYR  30           HH       TYR  30 -11.246   6.290  -1.424
  225    H    VAL  31           H        VAL  31  -3.173   4.186  -0.897
  226    HA   VAL  31           HA       VAL  31  -1.734   1.964  -2.150
  227    HB   VAL  31           HB       VAL  31  -0.486   4.056  -2.560
  228   1HG1  VAL  31          1HG1      VAL  31  -1.333   5.365  -0.769
  229   2HG1  VAL  31          2HG1      VAL  31   0.448   5.322  -0.822
  230   3HG1  VAL  31          3HG1      VAL  31  -0.426   4.375   0.400
  231   1HG2  VAL  31          1HG2      VAL  31   0.781   2.356  -0.467
  232   2HG2  VAL  31          2HG2      VAL  31   1.617   3.498  -1.546
  233   3HG2  VAL  31          3HG2      VAL  31   0.731   2.095  -2.219
  234    H    ALA  32           H        ALA  32  -0.960   0.393  -0.886
  235    HA   ALA  32           HA       ALA  32  -1.710   0.637   1.918
  236   1HB   ALA  32          1HB       ALA  32  -2.025  -1.768   1.909
  237   2HB   ALA  32          2HB       ALA  32  -1.532  -1.835   0.217
  238   3HB   ALA  32          3HB       ALA  32  -3.016  -1.007   0.662
  239    H    ILE  33           H        ILE  33  -0.243   0.295   3.388
  240    HA   ILE  33           HA       ILE  33   2.287  -0.953   2.624
  241    HB   ILE  33           HB       ILE  33   2.007   1.589   4.242
  242   1HG1  ILE  33          2HG1      ILE  33   3.457   1.065   1.646
  243   2HG1  ILE  33          1HG1      ILE  33   1.962   1.971   1.809
  244   1HG2  ILE  33          1HG2      ILE  33   4.457   1.568   4.476
  245   2HG2  ILE  33          2HG2      ILE  33   4.483  -0.062   3.804
  246   3HG2  ILE  33          3HG2      ILE  33   3.645   0.257   5.327
  247   1HD1  ILE  33          1HD1      ILE  33   4.640   2.722   2.950
  248   2HD1  ILE  33          2HD1      ILE  33   3.145   3.648   3.136
  249   3HD1  ILE  33          3HD1      ILE  33   3.860   3.437   1.535
  250    H    LYS  34           H        LYS  34   2.205  -2.740   3.717
  251    HA   LYS  34           HA       LYS  34   2.529  -4.125   5.468
  252   1HB   LYS  34          2HB       LYS  34   3.821  -2.107   6.385
  253   2HB   LYS  34          1HB       LYS  34   2.373  -1.618   7.216
  254   1HG   LYS  34          2HG       LYS  34   3.689  -4.260   7.779
  255   2HG   LYS  34          1HG       LYS  34   4.281  -2.788   8.528
  256   1HD   LYS  34          2HD       LYS  34   2.004  -2.459   9.495
  257   2HD   LYS  34          1HD       LYS  34   1.520  -3.991   8.773
  258   1HE   LYS  34          2HE       LYS  34   3.704  -3.606  10.812
  259   2HE   LYS  34          1HE       LYS  34   2.100  -4.257  11.129
  260   1HZ   LYS  34          1HZ       LYS  34   3.677  -6.034  10.899
  261   2HZ   LYS  34          2HZ       LYS  34   4.196  -5.479   9.418
  262   3HZ   LYS  34          3HZ       LYS  34   2.634  -6.093   9.575
  263    H    GLY  35           H        GLY  35  -0.049  -3.111   4.344
  264   1HA   GLY  35          2HA       GLY  35  -2.120  -4.169   4.653
  265   2HA   GLY  35          1HA       GLY  35  -1.839  -4.301   6.348
  266    H    ARG  36           H        ARG  36  -0.836  -1.283   5.792
  267    HA   ARG  36           HA       ARG  36  -3.374  -0.170   6.666
  268   1HB   ARG  36          2HB       ARG  36  -0.628   1.098   6.486
  269   2HB   ARG  36          1HB       ARG  36  -2.038   1.791   7.277
  270   1HG   ARG  36          2HG       ARG  36  -2.053  -0.050   8.881
  271   2HG   ARG  36          1HG       ARG  36  -0.655  -0.744   8.048
  272   1HD   ARG  36          2HD       ARG  36   0.012   0.435  10.088
  273   2HD   ARG  36          1HD       ARG  36   0.690   1.187   8.652
  274    HE   ARG  36           HE       ARG  36  -0.738   3.010   8.943
  275   1HH1  ARG  36          1HH1      ARG  36  -1.285   0.605  11.514
  276   2HH1  ARG  36          2HH1      ARG  36  -1.808   1.744  12.657
  277   1HH2  ARG  36          1HH2      ARG  36  -1.468   4.612  10.598
  278   2HH2  ARG  36          2HH2      ARG  36  -1.937   4.021  12.126
  279    H    VAL  37           H        VAL  37  -4.679   0.564   5.138
  280    HA   VAL  37           HA       VAL  37  -3.592   1.334   2.559
  281    HB   VAL  37           HB       VAL  37  -6.467   0.995   3.465
  282   1HG1  VAL  37          1HG1      VAL  37  -7.042   1.172   1.094
  283   2HG1  VAL  37          2HG1      VAL  37  -5.347   1.480   0.710
  284   3HG1  VAL  37          3HG1      VAL  37  -6.263   2.658   1.653
  285   1HG2  VAL  37          1HG2      VAL  37  -5.214  -1.076   3.346
  286   2HG2  VAL  37          2HG2      VAL  37  -4.709  -0.681   1.703
  287   3HG2  VAL  37          3HG2      VAL  37  -6.408  -0.991   2.051
  288    H    PHE  38           H        PHE  38  -3.184   3.309   2.073
  289    HA   PHE  38           HA       PHE  38  -4.388   5.499   3.628
  290   1HB   PHE  38          2HB       PHE  38  -1.937   5.457   1.918
  291   2HB   PHE  38          1HB       PHE  38  -2.478   6.803   2.910
  292    HD1  PHE  38           1HD      PHE  38  -0.501   3.854   2.734
  293    HD2  PHE  38           2HD      PHE  38  -2.489   6.460   5.430
  294    HE1  PHE  38           1HE      PHE  38   0.886   3.011   4.569
  295    HE2  PHE  38           2HE      PHE  38  -1.106   5.611   7.267
  296    HZ   PHE  38           HZ       PHE  38   0.590   3.882   6.834
  297    H    ASP  39           H        ASP  39  -5.225   7.238   2.447
  298    HA   ASP  39           HA       ASP  39  -5.958   6.613  -0.301
  299   1HB   ASP  39          2HB       ASP  39  -7.738   7.535   1.055
  300   2HB   ASP  39          1HB       ASP  39  -6.763   8.953   1.425
  301    H    VAL  40           H        VAL  40  -4.925   7.215  -1.963
  302    HA   VAL  40           HA       VAL  40  -3.316   9.639  -1.781
  303    HB   VAL  40           HB       VAL  40  -1.852   8.626  -3.614
  304   1HG1  VAL  40          1HG1      VAL  40  -1.095   8.904  -1.337
  305   2HG1  VAL  40          2HG1      VAL  40  -0.495   7.393  -2.014
  306   3HG1  VAL  40          3HG1      VAL  40  -1.853   7.379  -0.869
  307   1HG2  VAL  40          1HG2      VAL  40  -1.766   6.188  -3.708
  308   2HG2  VAL  40          2HG2      VAL  40  -3.342   6.816  -4.212
  309   3HG2  VAL  40          3HG2      VAL  40  -3.153   6.103  -2.613
  310    H    THR  41           H        THR  41  -6.107   8.834  -2.800
  311    HA   THR  41           HA       THR  41  -6.228   9.517  -5.524
  312    HB   THR  41           HB       THR  41  -8.253  10.138  -3.344
  313    HG1  THR  41           1HG      THR  41  -8.119   8.029  -3.168
  314   1HG2  THR  41          1HG2      THR  41  -8.735  11.216  -5.501
  315   2HG2  THR  41          2HG2      THR  41  -9.909   9.944  -5.153
  316   3HG2  THR  41          3HG2      THR  41  -8.609   9.654  -6.307
  317    H    THR  42           H        THR  42  -5.845  11.290  -2.598
  318    HA   THR  42           HA       THR  42  -6.334  13.893  -3.470
  319    HB   THR  42           HB       THR  42  -6.329  13.303  -1.114
  320    HG1  THR  42           1HG      THR  42  -5.035  14.949  -0.317
  321   1HG2  THR  42          1HG2      THR  42  -4.255  12.769   0.105
  322   2HG2  THR  42          2HG2      THR  42  -3.366  12.775  -1.418
  323   3HG2  THR  42          3HG2      THR  42  -4.611  11.558  -1.127
  324    H    GLY  43           H        GLY  43  -3.580  11.784  -3.889
  325   1HA   GLY  43          2HA       GLY  43  -2.019  14.003  -5.057
  326   2HA   GLY  43          1HA       GLY  43  -1.281  12.647  -4.207
  327    H    LYS  44           H        LYS  44  -3.847  12.850  -6.539
  328    HA   LYS  44           HA       LYS  44  -3.472  10.437  -7.829
  329   1HB   LYS  44          2HB       LYS  44  -5.458  11.867  -7.986
  330   2HB   LYS  44          1HB       LYS  44  -4.559  12.974  -9.010
  331   1HG   LYS  44          2HG       LYS  44  -4.218  10.917 -10.561
  332   2HG   LYS  44          1HG       LYS  44  -5.464  10.200  -9.578
  333   1HD   LYS  44          2HD       LYS  44  -6.998  12.007 -10.052
  334   2HD   LYS  44          1HD       LYS  44  -5.679  12.768 -10.967
  335   1HE   LYS  44          2HE       LYS  44  -5.670  10.986 -12.565
  336   2HE   LYS  44          1HE       LYS  44  -6.916  10.114 -11.671
  337   1HZ   LYS  44          1HZ       LYS  44  -7.262  12.785 -12.919
  338   2HZ   LYS  44          2HZ       LYS  44  -8.447  11.936 -12.117
  339   3HZ   LYS  44          3HZ       LYS  44  -7.835  11.347 -13.580
  340    H    SER  45           H        SER  45  -1.938  13.540  -8.512
  341    HA   SER  45           HA       SER  45  -1.055  13.036 -11.117
  342   1HB   SER  45          2HB       SER  45   0.232  14.776  -9.018
  343   2HB   SER  45          1HB       SER  45   0.510  14.877 -10.760
  344    HG   SER  45           HG       SER  45  -1.946  15.060 -10.758
  345    H    PHE  46           H        PHE  46   0.301  12.020  -8.069
  346    HA   PHE  46           HA       PHE  46   2.739  11.116  -9.376
  347   1HB   PHE  46          2HB       PHE  46   1.894  11.036  -6.478
  348   2HB   PHE  46          1HB       PHE  46   3.450  10.480  -7.080
  349    HD1  PHE  46           1HD      PHE  46   5.119  12.078  -7.836
  350    HD2  PHE  46           2HD      PHE  46   1.375  13.381  -6.291
  351    HE1  PHE  46           1HE      PHE  46   6.022  14.351  -7.579
  352    HE2  PHE  46           2HE      PHE  46   2.270  15.659  -6.031
  353    HZ   PHE  46           HZ       PHE  46   4.594  16.147  -6.677
  354    H    TYR  47           H        TYR  47  -0.131   9.885  -7.795
  355    HA   TYR  47           HA       TYR  47   0.825   7.189  -8.111
  356   1HB   TYR  47          2HB       TYR  47  -1.583   8.275  -6.659
  357   2HB   TYR  47          1HB       TYR  47  -1.105   6.574  -6.678
  358    HD1  TYR  47           1HD      TYR  47   0.699   5.791  -5.277
  359    HD2  TYR  47           2HD      TYR  47  -0.126   9.952  -5.575
  360    HE1  TYR  47           1HE      TYR  47   2.236   6.236  -3.405
  361    HE2  TYR  47           2HE      TYR  47   1.394  10.403  -3.718
  362    HH   TYR  47           HH       TYR  47   2.380   9.334  -1.889
  363    H    GLY  48           H        GLY  48  -2.412   8.731  -8.835
  364   1HA   GLY  48          2HA       GLY  48  -2.912   6.473 -10.601
  365   2HA   GLY  48          1HA       GLY  48  -4.091   7.632 -10.057
  366    H    SER  49           H        SER  49  -1.047   7.887 -11.702
  367    HA   SER  49           HA       SER  49  -2.377   9.012 -14.055
  368   1HB   SER  49          2HB       SER  49  -1.691  10.926 -12.587
  369   2HB   SER  49          1HB       SER  49  -0.037  10.337 -12.628
  370    HG   SER  49           HG       SER  49  -1.423  10.919 -15.012
  371    H    GLY  50           H        GLY  50  -0.723   6.611 -12.921
  372   1HA   GLY  50          2HA       GLY  50   0.824   5.138 -13.719
  373   2HA   GLY  50          1HA       GLY  50   0.755   6.008 -15.250
  374    H    GLY  51           H        GLY  51   1.690   6.998 -12.004
  375   1HA   GLY  51          2HA       GLY  51   4.026   8.315 -13.103
  376   2HA   GLY  51          1HA       GLY  51   3.417   8.447 -11.463
  377    H    ASP  52           H        ASP  52   5.656   8.207 -10.918
  378    HA   ASP  52           HA       ASP  52   7.002   5.724 -11.327
  379   1HB   ASP  52          2HB       ASP  52   8.170   7.898 -10.966
  380   2HB   ASP  52          1HB       ASP  52   7.530   7.949  -9.333
  381    H    TYR  53           H        TYR  53   4.781   7.038  -9.104
  382    HA   TYR  53           HA       TYR  53   5.095   4.872  -7.191
  383   1HB   TYR  53          2HB       TYR  53   3.370   7.349  -7.155
  384   2HB   TYR  53          1HB       TYR  53   3.363   6.130  -5.887
  385    HD1  TYR  53           1HD      TYR  53   5.422   5.741  -4.552
  386    HD2  TYR  53           2HD      TYR  53   5.080   9.000  -7.253
  387    HE1  TYR  53           1HE      TYR  53   7.315   6.843  -3.442
  388    HE2  TYR  53           2HE      TYR  53   6.969  10.114  -6.163
  389    HH   TYR  53           HH       TYR  53   9.015   8.478  -4.043
  390    H    SER  54           H        SER  54   3.996   4.548  -9.963
  391    HA   SER  54           HA       SER  54   1.243   3.989 -10.013
  392   1HB   SER  54          2HB       SER  54   1.927   2.633 -12.022
  393   2HB   SER  54          1HB       SER  54   2.689   4.234 -11.879
  394    HG   SER  54           HG       SER  54   4.446   3.314 -12.058
  395    H    MET  55           H        MET  55   3.926   2.371  -8.818
  396    HA   MET  55           HA       MET  55   2.863  -0.313  -8.691
  397   1HB   MET  55          2HB       MET  55   5.363   0.843  -7.472
  398   2HB   MET  55          1HB       MET  55   5.058  -0.839  -7.909
  399   1HG   MET  55          2HG       MET  55   5.049   1.408  -9.805
  400   2HG   MET  55          1HG       MET  55   6.498   0.596  -9.653
  401   1HE   MET  55          1HE       MET  55   5.417   0.944 -12.446
  402   2HE   MET  55          2HE       MET  55   5.458  -0.679 -13.133
  403   3HE   MET  55          3HE       MET  55   6.781  -0.123 -12.106
  404    H    PHE  56           H        PHE  56   2.864   2.503  -6.867
  405    HA   PHE  56           HA       PHE  56   2.451   1.229  -4.271
  406   1HB   PHE  56          2HB       PHE  56   2.712   4.117  -5.106
  407   2HB   PHE  56          1HB       PHE  56   2.368   3.559  -3.480
  408    HD1  PHE  56           1HD      PHE  56   4.928   2.839  -6.135
  409    HD2  PHE  56           2HD      PHE  56   4.074   3.672  -2.062
  410    HE1  PHE  56           1HE      PHE  56   7.339   2.824  -5.629
  411    HE2  PHE  56           2HE      PHE  56   6.405   3.665  -1.531
  412    HZ   PHE  56           HZ       PHE  56   8.104   3.230  -3.316
  413    H    ALA  57           H        ALA  57   0.969   3.281  -6.684
  414    HA   ALA  57           HA       ALA  57  -1.143   4.488  -5.556
  415   1HB   ALA  57          1HB       ALA  57  -2.098   4.684  -7.729
  416   2HB   ALA  57          2HB       ALA  57  -1.183   3.288  -8.295
  417   3HB   ALA  57          3HB       ALA  57  -0.340   4.768  -7.842
  418    H    GLY  58           H        GLY  58  -1.082   1.147  -5.804
  419   1HA   GLY  58          2HA       GLY  58  -3.536   0.842  -4.550
  420   2HA   GLY  58          1HA       GLY  58  -3.846   0.487  -6.220
  421    H    LYS  59           H        LYS  59  -0.905  -0.239  -4.237
  422    HA   LYS  59           HA       LYS  59  -1.756  -2.919  -4.192
  423   1HB   LYS  59          2HB       LYS  59  -0.447  -2.362  -6.248
  424   2HB   LYS  59          1HB       LYS  59   0.846  -1.851  -5.190
  425   1HG   LYS  59          2HG       LYS  59   1.061  -4.004  -4.299
  426   2HG   LYS  59          1HG       LYS  59  -0.343  -4.562  -5.218
  427   1HD   LYS  59          2HD       LYS  59   2.205  -3.500  -6.382
  428   2HD   LYS  59          1HD       LYS  59   1.667  -5.168  -6.113
  429   1HE   LYS  59          2HE       LYS  59  -0.203  -4.845  -7.652
  430   2HE   LYS  59          1HE       LYS  59   0.251  -3.157  -7.861
  431   1HZ   LYS  59          1HZ       LYS  59   0.999  -4.502  -9.732
  432   2HZ   LYS  59          2HZ       LYS  59   1.821  -5.514  -8.687
  433   3HZ   LYS  59          3HZ       LYS  59   2.349  -3.918  -8.878
  434    H    ASP  60           H        ASP  60  -0.480  -3.953  -2.434
  435    HA   ASP  60           HA       ASP  60   0.429  -1.979  -0.491
  436   1HB   ASP  60          2HB       ASP  60  -0.896  -3.980   0.320
  437   2HB   ASP  60          1HB       ASP  60   0.451  -4.997  -0.186
  438    H    ALA  61           H        ALA  61   2.385  -1.455  -0.225
  439    HA   ALA  61           HA       ALA  61   4.365  -2.831  -1.907
  440   1HB   ALA  61          1HB       ALA  61   3.813  -0.565  -2.608
  441   2HB   ALA  61          2HB       ALA  61   5.502  -0.704  -2.115
  442   3HB   ALA  61          3HB       ALA  61   4.327   0.047  -1.037
  443    H    SER  62           H        SER  62   3.700  -3.315   1.083
  444    HA   SER  62           HA       SER  62   5.707  -2.193   2.632
  445   1HB   SER  62          2HB       SER  62   5.362  -4.152   4.198
  446   2HB   SER  62          1HB       SER  62   3.918  -3.239   3.772
  447    HG   SER  62           HG       SER  62   3.322  -4.818   2.363
  448    H    ARG  63           H        ARG  63   5.870  -5.233   0.849
  449    HA   ARG  63           HA       ARG  63   8.506  -5.900   1.695
  450   1HB   ARG  63          2HB       ARG  63   6.882  -7.499   0.731
  451   2HB   ARG  63          1HB       ARG  63   7.055  -6.702  -0.819
  452   1HG   ARG  63          2HG       ARG  63   9.456  -7.346  -0.829
  453   2HG   ARG  63          1HG       ARG  63   9.177  -8.240   0.670
  454   1HD   ARG  63          2HD       ARG  63   7.373  -9.489  -0.526
  455   2HD   ARG  63          1HD       ARG  63   7.909  -8.727  -2.016
  456    HE   ARG  63           HE       ARG  63   9.865 -10.188  -0.463
  457   1HH1  ARG  63          1HH1      ARG  63   7.810 -10.094  -3.390
  458   2HH1  ARG  63          2HH1      ARG  63   8.467 -11.479  -4.075
  459   1HH2  ARG  63          1HH2      ARG  63  10.736 -12.159  -1.431
  460   2HH2  ARG  63          2HH2      ARG  63  10.142 -12.700  -2.931
  461    H    ALA  64           H        ALA  64   7.213  -3.892  -0.840
  462    HA   ALA  64           HA       ALA  64   9.540  -3.904  -2.533
  463   1HB   ALA  64          1HB       ALA  64   8.372  -2.107  -3.741
  464   2HB   ALA  64          2HB       ALA  64   7.098  -2.135  -2.511
  465   3HB   ALA  64          3HB       ALA  64   7.397  -3.550  -3.528
  466    H    LEU  65           H        LEU  65   8.157  -1.995  -0.088
  467    HA   LEU  65           HA       LEU  65   9.868   0.227  -0.230
  468   1HB   LEU  65          2HB       LEU  65   8.227  -0.976   1.924
  469   2HB   LEU  65          1HB       LEU  65   9.071   0.544   2.097
  470    HG   LEU  65           HG       LEU  65   6.833  -0.053   0.157
  471   1HD1  LEU  65          1HD1      LEU  65   6.960   1.709   2.589
  472   2HD1  LEU  65          2HD1      LEU  65   6.077   0.197   2.424
  473   3HD1  LEU  65          3HD1      LEU  65   5.630   1.591   1.446
  474   1HD2  LEU  65          1HD2      LEU  65   8.449   2.351   0.692
  475   2HD2  LEU  65          2HD2      LEU  65   6.965   2.334  -0.273
  476   3HD2  LEU  65          3HD2      LEU  65   8.418   1.449  -0.834
  477    H    GLY  66           H        GLY  66  10.170  -2.887   1.270
  478   1HA   GLY  66          2HA       GLY  66  12.499  -2.050   2.757
  479   2HA   GLY  66          1HA       GLY  66  11.892  -3.663   2.667
  480    H    LYS  67           H        LYS  67  11.802  -3.541  -0.255
  481    HA   LYS  67           HA       LYS  67  14.538  -4.424  -0.704
  482   1HB   LYS  67          2HB       LYS  67  12.204  -4.324  -2.603
  483   2HB   LYS  67          1HB       LYS  67  13.697  -5.201  -2.849
  484   1HG   LYS  67          2HG       LYS  67  11.666  -5.748  -0.708
  485   2HG   LYS  67          1HG       LYS  67  11.803  -6.653  -2.203
  486   1HD   LYS  67          2HD       LYS  67  13.860  -6.460   0.014
  487   2HD   LYS  67          1HD       LYS  67  12.854  -7.853  -0.363
  488   1HE   LYS  67          2HE       LYS  67  13.901  -8.032  -2.535
  489   2HE   LYS  67          1HE       LYS  67  14.952  -6.660  -2.166
  490   1HZ   LYS  67          1HZ       LYS  67  14.924  -9.325  -0.868
  491   2HZ   LYS  67          2HZ       LYS  67  15.621  -8.002  -0.170
  492   3HZ   LYS  67          3HZ       LYS  67  16.230  -8.566  -1.659
  493    H    MET  68           H        MET  68  12.439  -1.834  -1.540
  494    HA   MET  68           HA       MET  68  12.609   0.105  -2.545
  495   1HB   MET  68          2HB       MET  68  15.600  -0.382  -2.810
  496   2HB   MET  68          1HB       MET  68  14.789   1.148  -3.123
  497   1HG   MET  68          2HG       MET  68  14.105   1.132  -0.702
  498   2HG   MET  68          1HG       MET  68  15.098  -0.287  -0.528
  499   1HE   MET  68          1HE       MET  68  17.599   0.250  -2.394
  500   2HE   MET  68          2HE       MET  68  17.726  -0.384  -0.754
  501   3HE   MET  68          3HE       MET  68  18.719   0.987  -1.251
  502    H    SER  69           H        SER  69  11.417  -1.381  -3.839
  503    HA   SER  69           HA       SER  69  12.407  -1.483  -6.593
  504   1HB   SER  69          2HB       SER  69  11.409  -3.857  -5.016
  505   2HB   SER  69          1HB       SER  69  11.839  -3.848  -6.724
  506    HG   SER  69           HG       SER  69  13.858  -2.839  -5.362
  507    H    LYS  70           H        LYS  70  10.848  -1.940  -8.037
  508    HA   LYS  70           HA       LYS  70   8.179  -1.004  -7.239
  509   1HB   LYS  70          2HB       LYS  70   9.930  -0.347  -9.564
  510   2HB   LYS  70          1HB       LYS  70   8.238   0.083  -9.520
  511   1HG   LYS  70          2HG       LYS  70   8.511   1.582  -7.821
  512   2HG   LYS  70          1HG       LYS  70   9.989   0.839  -7.237
  513   1HD   LYS  70          2HD       LYS  70  11.156   1.592  -9.162
  514   2HD   LYS  70          1HD       LYS  70   9.687   2.262  -9.848
  515   1HE   LYS  70          2HE       LYS  70   9.573   3.816  -7.890
  516   2HE   LYS  70          1HE       LYS  70  11.066   3.106  -7.280
  517   1HZ   LYS  70          1HZ       LYS  70  11.582   5.113  -8.364
  518   2HZ   LYS  70          2HZ       LYS  70  10.655   4.753  -9.684
  519   3HZ   LYS  70          3HZ       LYS  70  12.113   3.901  -9.439
  520    H    ASN  71           H        ASN  71  10.105  -3.221  -8.964
  521    HA   ASN  71           HA       ASN  71   8.293  -4.389 -10.701
  522   1HB   ASN  71          2HB       ASN  71   9.452  -6.540 -10.156
  523   2HB   ASN  71          1HB       ASN  71  10.510  -5.276 -10.868
  524   1HD2  ASN  71          1HD2      ASN  71   9.848  -7.382  -8.294
  525   2HD2  ASN  71          2HD2      ASN  71  11.151  -6.872  -7.243
  526    H    GLU  72           H        GLU  72   6.815  -5.864 -10.621
  527    HA   GLU  72           HA       GLU  72   5.014  -5.758  -8.526
  528   1HB   GLU  72          2HB       GLU  72   3.960  -7.671  -9.666
  529   2HB   GLU  72          1HB       GLU  72   4.178  -6.226 -10.675
  530   1HG   GLU  72          2HG       GLU  72   6.111  -7.316 -11.689
  531   2HG   GLU  72          1HG       GLU  72   5.886  -8.699 -10.617
  532    H    GLU  73           H        GLU  73   7.571  -8.032  -9.060
  533    HA   GLU  73           HA       GLU  73   6.830 -10.121  -7.369
  534   1HB   GLU  73          2HB       GLU  73   8.742 -10.268  -8.797
  535   2HB   GLU  73          1HB       GLU  73   9.539  -8.950  -7.979
  536   1HG   GLU  73          2HG       GLU  73  10.556 -11.010  -7.314
  537   2HG   GLU  73          1HG       GLU  73   9.692 -10.254  -5.980
  538    H    ASP  74           H        ASP  74   8.742  -7.212  -6.592
  539    HA   ASP  74           HA       ASP  74   8.755  -8.009  -3.854
  540   1HB   ASP  74          2HB       ASP  74   9.971  -5.599  -5.179
  541   2HB   ASP  74          1HB       ASP  74  10.081  -5.928  -3.451
  542    H    VAL  75           H        VAL  75   6.804  -6.010  -5.777
  543    HA   VAL  75           HA       VAL  75   5.829  -4.592  -3.410
  544    HB   VAL  75           HB       VAL  75   4.352  -4.675  -6.058
  545   1HG1  VAL  75          1HG1      VAL  75   3.626  -2.423  -5.404
  546   2HG1  VAL  75          2HG1      VAL  75   4.581  -2.546  -3.945
  547   3HG1  VAL  75          3HG1      VAL  75   3.198  -3.626  -4.181
  548   1HG2  VAL  75          1HG2      VAL  75   5.562  -2.702  -6.793
  549   2HG2  VAL  75          2HG2      VAL  75   6.631  -4.101  -6.604
  550   3HG2  VAL  75          3HG2      VAL  75   6.619  -2.819  -5.382
  551    H    SER  76           H        SER  76   4.897  -5.785  -1.972
  552    HA   SER  76           HA       SER  76   2.799  -7.647  -2.689
  553   1HB   SER  76          2HB       SER  76   4.989  -8.857  -2.895
  554   2HB   SER  76          1HB       SER  76   5.322  -8.439  -1.221
  555    HG   SER  76           HG       SER  76   3.546 -10.310  -2.257
  556    HA   PRO  77           HA       PRO  77   1.400  -6.078   1.278
  557   1HB   PRO  77          2HB       PRO  77  -0.518  -7.837   1.877
  558   2HB   PRO  77          1HB       PRO  77  -0.668  -6.779   0.471
  559   1HG   PRO  77          2HG       PRO  77   0.177  -9.646   0.594
  560   2HG   PRO  77          1HG       PRO  77  -0.939  -8.861  -0.536
  561   1HD   PRO  77          2HD       PRO  77   1.676  -9.398  -1.112
  562   2HD   PRO  77          1HD       PRO  77   0.766  -8.076  -1.856
  563    H    SER  78           H        SER  78   3.609  -8.251   1.231
  564    HA   SER  78           HA       SER  78   3.733  -8.702   4.117
  565   1HB   SER  78          2HB       SER  78   2.495 -10.729   2.961
  566   2HB   SER  78          1HB       SER  78   4.088 -10.895   2.210
  567    HG   SER  78           HG       SER  78   3.823 -12.177   4.146
  568    H    LEU  79           H        LEU  79   5.601  -9.010   4.791
  569    HA   LEU  79           HA       LEU  79   7.679  -7.829   3.315
  570   1HB   LEU  79          2HB       LEU  79   7.489  -9.175   5.981
  571   2HB   LEU  79          1HB       LEU  79   8.995  -8.580   5.340
  572    HG   LEU  79           HG       LEU  79   7.981  -7.038   6.989
  573   1HD1  LEU  79          1HD1      LEU  79   8.152  -5.039   5.738
  574   2HD1  LEU  79          2HD1      LEU  79   8.052  -5.925   4.214
  575   3HD1  LEU  79          3HD1      LEU  79   9.441  -6.153   5.297
  576   1HD2  LEU  79          1HD2      LEU  79   5.789  -6.831   4.950
  577   2HD2  LEU  79          2HD2      LEU  79   6.015  -5.686   6.260
  578   3HD2  LEU  79          3HD2      LEU  79   5.612  -7.391   6.616
  579    H    GLU  80           H        GLU  80   7.636 -10.950   4.939
  580    HA   GLU  80           HA       GLU  80   8.670 -12.865   4.595
  581   1HB   GLU  80          2HB       GLU  80   7.069 -13.392   3.191
  582   2HB   GLU  80          1HB       GLU  80   7.618 -12.380   1.821
  583   1HG   GLU  80          2HG       GLU  80   9.543 -13.918   1.662
  584   2HG   GLU  80          1HG       GLU  80   8.864 -14.888   2.954
  585    H    GLY  81           H        GLY  81  10.641 -12.528   5.193
  586   1HA   GLY  81          2HA       GLY  81  12.581 -13.567   4.528
  587   2HA   GLY  81          1HA       GLY  81  12.477 -12.825   2.946
  588    H    LEU  82           H        LEU  82  11.504 -10.409   4.284
  589    HA   LEU  82           HA       LEU  82  13.870  -8.999   4.265
  590   1HB   LEU  82          2HB       LEU  82  11.073  -8.326   4.920
  591   2HB   LEU  82          1HB       LEU  82  12.320  -7.181   5.343
  592    HG   LEU  82           HG       LEU  82  13.024  -7.130   2.944
  593   1HD1  LEU  82          1HD1      LEU  82  12.431  -9.224   2.272
  594   2HD1  LEU  82          2HD1      LEU  82  11.610  -8.002   1.262
  595   3HD1  LEU  82          3HD1      LEU  82  10.697  -8.912   2.496
  596   1HD2  LEU  82          1HD2      LEU  82  10.117  -6.502   3.343
  597   2HD2  LEU  82          2HD2      LEU  82  11.162  -5.893   2.056
  598   3HD2  LEU  82          3HD2      LEU  82  11.477  -5.441   3.738
  599    H    THR  83           H        THR  83  15.301  -8.815   5.534
  600    HA   THR  83           HA       THR  83  15.086  -9.551   8.328
  601    HB   THR  83           HB       THR  83  17.059 -10.298   7.002
  602    HG1  THR  83           1HG      THR  83  17.310  -9.828   9.296
  603   1HG2  THR  83          1HG2      THR  83  18.759  -8.683   6.259
  604   2HG2  THR  83          2HG2      THR  83  17.731  -7.362   6.809
  605   3HG2  THR  83          3HG2      THR  83  17.210  -8.377   5.467
  606    H    GLU  84           H        GLU  84  16.639  -7.835   9.709
  607    HA   GLU  84           HA       GLU  84  15.013  -5.646  10.211
  608   1HB   GLU  84          2HB       GLU  84  16.813  -6.515  11.738
  609   2HB   GLU  84          1HB       GLU  84  17.988  -5.692  10.716
  610   1HG   GLU  84          2HG       GLU  84  16.626  -3.576  11.144
  611   2HG   GLU  84          1HG       GLU  84  15.846  -4.488  12.425
  612    H    LYS  85           H        LYS  85  17.896  -5.894   8.206
  613    HA   LYS  85           HA       LYS  85  18.459  -3.271   7.496
  614   1HB   LYS  85          2HB       LYS  85  19.759  -5.217   6.776
  615   2HB   LYS  85          1HB       LYS  85  18.436  -5.710   5.735
  616   1HG   LYS  85          2HG       LYS  85  18.715  -3.507   4.541
  617   2HG   LYS  85          1HG       LYS  85  20.221  -3.318   5.440
  618   1HD   LYS  85          2HD       LYS  85  19.495  -5.581   3.610
  619   2HD   LYS  85          1HD       LYS  85  20.608  -4.272   3.224
  620   1HE   LYS  85          2HE       LYS  85  22.097  -4.999   5.061
  621   2HE   LYS  85          1HE       LYS  85  21.001  -6.334   5.410
  622   1HZ   LYS  85          1HZ       LYS  85  22.468  -5.915   2.873
  623   2HZ   LYS  85          2HZ       LYS  85  21.444  -7.222   3.206
  624   3HZ   LYS  85          3HZ       LYS  85  22.871  -7.033   4.057
  625    H    GLU  86           H        GLU  86  16.277  -5.563   5.808
  626    HA   GLU  86           HA       GLU  86  15.491  -3.721   3.888
  627   1HB   GLU  86          2HB       GLU  86  14.514  -6.350   4.822
  628   2HB   GLU  86          1HB       GLU  86  13.916  -5.508   3.397
  629   1HG   GLU  86          2HG       GLU  86  16.156  -5.597   2.399
  630   2HG   GLU  86          1HG       GLU  86  16.808  -6.294   3.875
  631    H    ILE  87           H        ILE  87  14.072  -5.010   6.841
  632    HA   ILE  87           HA       ILE  87  11.643  -3.683   6.485
  633    HB   ILE  87           HB       ILE  87  12.905  -4.489   9.114
  634   1HG1  ILE  87          2HG1      ILE  87  10.914  -5.900   7.307
  635   2HG1  ILE  87          1HG1      ILE  87  12.550  -6.383   7.627
  636   1HG2  ILE  87          1HG2      ILE  87  11.233  -2.785   9.339
  637   2HG2  ILE  87          2HG2      ILE  87  10.565  -4.349   9.919
  638   3HG2  ILE  87          3HG2      ILE  87  10.164  -3.716   8.293
  639   1HD1  ILE  87          1HD1      ILE  87  10.399  -6.199   9.702
  640   2HD1  ILE  87          2HD1      ILE  87  12.041  -6.772   9.965
  641   3HD1  ILE  87          3HD1      ILE  87  10.933  -7.700   8.935
  642    H    ASN  88           H        ASN  88  14.618  -2.662   8.125
  643    HA   ASN  88           HA       ASN  88  13.813  -0.220   9.192
  644   1HB   ASN  88          2HB       ASN  88  16.405  -0.991   7.910
  645   2HB   ASN  88          1HB       ASN  88  16.132   0.568   8.668
  646   1HD2  ASN  88          1HD2      ASN  88  18.064  -1.488   9.322
  647   2HD2  ASN  88          2HD2      ASN  88  17.789  -2.023  10.927
  648    H    THR  89           H        THR  89  14.630  -1.091   5.963
  649    HA   THR  89           HA       THR  89  14.847   1.486   4.883
  650    HB   THR  89           HB       THR  89  14.137  -1.174   3.659
  651    HG1  THR  89           1HG      THR  89  16.206  -1.198   4.664
  652   1HG2  THR  89          1HG2      THR  89  15.150   1.358   2.432
  653   2HG2  THR  89          2HG2      THR  89  13.525   0.616   2.268
  654   3HG2  THR  89          3HG2      THR  89  14.936  -0.208   1.599
  655    H    LEU  90           H        LEU  90  12.208  -0.893   4.928
  656    HA   LEU  90           HA       LEU  90  10.215   0.717   3.688
  657   1HB   LEU  90          2HB       LEU  90   9.530  -1.388   3.535
  658   2HB   LEU  90          1HB       LEU  90  10.431  -1.921   4.896
  659    HG   LEU  90           HG       LEU  90   8.460  -0.669   6.178
  660   1HD1  LEU  90          1HD1      LEU  90   7.374   0.242   4.308
  661   2HD1  LEU  90          2HD1      LEU  90   6.346  -0.957   5.110
  662   3HD1  LEU  90          3HD1      LEU  90   7.181  -1.370   3.615
  663   1HD2  LEU  90          1HD2      LEU  90   8.202  -3.313   4.897
  664   2HD2  LEU  90          2HD2      LEU  90   7.264  -2.751   6.300
  665   3HD2  LEU  90          3HD2      LEU  90   9.032  -2.982   6.418
  666    H    ASN  91           H        ASN  91  11.224   0.148   6.913
  667    HA   ASN  91           HA       ASN  91   9.056   1.049   8.396
  668   1HB   ASN  91          2HB       ASN  91  11.338  -0.126   9.002
  669   2HB   ASN  91          1HB       ASN  91  11.861   1.520   9.309
  670   1HD2  ASN  91          1HD2      ASN  91   9.871  -1.079  10.260
  671   2HD2  ASN  91          2HD2      ASN  91   9.411  -0.541  11.812
  672    H    ASP  92           H        ASP  92  11.725   2.772   6.893
  673    HA   ASP  92           HA       ASP  92  11.024   5.354   7.932
  674   1HB   ASP  92          2HB       ASP  92  13.341   4.890   7.185
  675   2HB   ASP  92          1HB       ASP  92  12.755   4.602   5.559
  676    H    TRP  93           H        TRP  93  10.278   3.507   5.027
  677    HA   TRP  93           HA       TRP  93   8.963   5.545   3.563
  678   1HB   TRP  93          2HB       TRP  93   8.990   2.579   3.473
  679   2HB   TRP  93          1HB       TRP  93   7.908   3.454   2.425
  680    HD1  TRP  93           HD       TRP  93  11.422   2.191   2.680
  681    HE1  TRP  93           1HE      TRP  93  12.817   2.969   0.655
  682    HE3  TRP  93           3HE      TRP  93   8.207   5.663   0.772
  683    HZ2  TRP  93           2HZ      TRP  93  12.578   4.802  -1.466
  684    HZ3  TRP  93           3HZ      TRP  93   8.861   6.889  -1.264
  685    HH2  TRP  93           HH       TRP  93  11.003   6.463  -2.351
  686    H    GLU  94           H        GLU  94   7.780   3.098   5.789
  687    HA   GLU  94           HA       GLU  94   5.053   3.395   5.566
  688   1HB   GLU  94          2HB       GLU  94   6.675   3.085   8.098
  689   2HB   GLU  94          1HB       GLU  94   4.937   2.877   8.006
  690   1HG   GLU  94          2HG       GLU  94   5.217   1.004   6.514
  691   2HG   GLU  94          1HG       GLU  94   6.967   1.214   6.524
  692    H    THR  95           H        THR  95   7.214   5.200   7.577
  693    HA   THR  95           HA       THR  95   5.468   6.924   8.888
  694    HB   THR  95           HB       THR  95   8.306   7.401   8.056
  695    HG1  THR  95           1HG      THR  95   8.802   5.996   9.667
  696   1HG2  THR  95          1HG2      THR  95   7.221   9.397   9.027
  697   2HG2  THR  95          2HG2      THR  95   8.428   8.757  10.139
  698   3HG2  THR  95          3HG2      THR  95   6.715   8.453  10.430
  699    H    LYS  96           H        LYS  96   6.737   7.120   5.656
  700    HA   LYS  96           HA       LYS  96   6.545   9.983   5.420
  701   1HB   LYS  96          2HB       LYS  96   6.925   7.848   3.323
  702   2HB   LYS  96          1HB       LYS  96   7.221   9.575   3.121
  703   1HG   LYS  96          2HG       LYS  96   8.603   7.886   5.145
  704   2HG   LYS  96          1HG       LYS  96   9.315   8.140   3.585
  705   1HD   LYS  96          2HD       LYS  96   9.274  10.593   4.057
  706   2HD   LYS  96          1HD       LYS  96   8.621  10.222   5.651
  707   1HE   LYS  96          2HE       LYS  96  10.584   8.971   6.235
  708   2HE   LYS  96          1HE       LYS  96  11.232   9.156   4.610
  709   1HZ   LYS  96          1HZ       LYS  96  11.404  11.531   4.991
  710   2HZ   LYS  96          2HZ       LYS  96  12.250  10.704   6.187
  711   3HZ   LYS  96          3HZ       LYS  96  10.748  11.374   6.532
  712    H    PHE  97           H        PHE  97   4.785   7.193   4.583
  713    HA   PHE  97           HA       PHE  97   2.707   8.653   3.272
  714   1HB   PHE  97          2HB       PHE  97   3.135   5.847   4.077
  715   2HB   PHE  97          1HB       PHE  97   1.635   6.348   3.347
  716    HD1  PHE  97           1HD      PHE  97   5.329   6.358   2.717
  717    HD2  PHE  97           2HD      PHE  97   1.437   6.358   1.004
  718    HE1  PHE  97           1HE      PHE  97   6.310   6.081   0.480
  719    HE2  PHE  97           2HE      PHE  97   2.420   6.080  -1.227
  720    HZ   PHE  97           HZ       PHE  97   4.855   5.943  -1.490
  721    H    GLU  98           H        GLU  98   3.136   6.810   6.224
  722    HA   GLU  98           HA       GLU  98   0.559   6.784   7.236
  723   1HB   GLU  98          2HB       GLU  98   2.883   5.629   7.843
  724   2HB   GLU  98          1HB       GLU  98   2.909   6.886   9.058
  725   1HG   GLU  98          2HG       GLU  98   0.818   4.736   8.738
  726   2HG   GLU  98          1HG       GLU  98   2.092   4.785   9.935
  727    H    ALA  99           H        ALA  99   2.940   9.400   7.369
  728    HA   ALA  99           HA       ALA  99   1.524  10.632   9.602
  729   1HB   ALA  99          1HB       ALA  99   3.965  10.509   9.718
  730   2HB   ALA  99          2HB       ALA  99   3.382  12.176   9.713
  731   3HB   ALA  99          3HB       ALA  99   4.065  11.475   8.244
  732    H    LYS 100           H        LYS 100   1.266  10.603   6.346
  733    HA   LYS 100           HA       LYS 100   0.179  13.311   6.401
  734   1HB   LYS 100          2HB       LYS 100   2.009  12.120   4.461
  735   2HB   LYS 100          1HB       LYS 100   0.879  13.181   3.741
  736   1HG   LYS 100          2HG       LYS 100   2.677  14.552   4.160
  737   2HG   LYS 100          1HG       LYS 100   1.687  14.843   5.588
  738   1HD   LYS 100          2HD       LYS 100   3.783  14.484   6.454
  739   2HD   LYS 100          1HD       LYS 100   2.983  12.949   6.628
  740   1HE   LYS 100          2HE       LYS 100   5.160  12.541   5.775
  741   2HE   LYS 100          1HE       LYS 100   3.986  12.127   4.571
  742   1HZ   LYS 100          1HZ       LYS 100   5.573  14.637   4.604
  743   2HZ   LYS 100          2HZ       LYS 100   4.396  14.285   3.471
  744   3HZ   LYS 100          3HZ       LYS 100   5.795  13.361   3.534
  745    H    TYR 101           H        TYR 101   0.213  10.432   4.581
  746    HA   TYR 101           HA       TYR 101  -2.449  10.889   3.592
  747   1HB   TYR 101          2HB       TYR 101  -0.861   8.313   3.471
  748   2HB   TYR 101          1HB       TYR 101  -2.341   8.695   2.601
  749    HD1  TYR 101           1HD      TYR 101  -2.082  11.076   1.251
  750    HD2  TYR 101           2HD      TYR 101   1.013   8.337   2.199
  751    HE1  TYR 101           1HE      TYR 101  -0.758  11.926  -0.641
  752    HE2  TYR 101           2HE      TYR 101   2.349   9.172   0.333
  753    HH   TYR 101           HH       TYR 101   1.619  12.023  -1.292
  754    HA   PRO 102           HA       PRO 102  -4.506   9.151   7.083
  755   1HB   PRO 102          2HB       PRO 102  -6.979   9.070   6.125
  756   2HB   PRO 102          1HB       PRO 102  -6.159  10.621   6.362
  757   1HG   PRO 102          2HG       PRO 102  -6.476   9.021   3.849
  758   2HG   PRO 102          1HG       PRO 102  -6.770  10.752   4.096
  759   1HD   PRO 102          2HD       PRO 102  -4.455   9.804   3.032
  760   2HD   PRO 102          1HD       PRO 102  -4.539  11.264   4.044
  761    H    VAL 103           H        VAL 103  -4.763   7.169   7.794
  762    HA   VAL 103           HA       VAL 103  -4.881   4.875   6.058
  763    HB   VAL 103           HB       VAL 103  -5.408   4.972   9.067
  764   1HG1  VAL 103          1HG1      VAL 103  -6.401   3.001   8.019
  765   2HG1  VAL 103          2HG1      VAL 103  -5.022   2.549   9.023
  766   3HG1  VAL 103          3HG1      VAL 103  -4.853   2.607   7.271
  767   1HG2  VAL 103          1HG2      VAL 103  -3.154   4.079   9.319
  768   2HG2  VAL 103          2HG2      VAL 103  -3.117   5.643   8.501
  769   3HG2  VAL 103          3HG2      VAL 103  -2.931   4.147   7.576
  770    H    VAL 104           H        VAL 104  -6.602   4.712   4.896
  771    HA   VAL 104           HA       VAL 104  -9.174   5.420   6.038
  772    HB   VAL 104           HB       VAL 104 -10.122   5.066   3.749
  773   1HG1  VAL 104          1HG1      VAL 104  -9.070   7.052   2.761
  774   2HG1  VAL 104          2HG1      VAL 104  -7.751   6.927   3.927
  775   3HG1  VAL 104          3HG1      VAL 104  -9.388   7.277   4.482
  776   1HG2  VAL 104          1HG2      VAL 104  -8.576   4.820   1.868
  777   2HG2  VAL 104          2HG2      VAL 104  -8.487   3.417   2.940
  778   3HG2  VAL 104          3HG2      VAL 104  -7.234   4.661   2.996
  779    H    GLY 105           H        GLY 105  -7.345   2.619   5.570
  780   1HA   GLY 105          2HA       GLY 105  -9.115   1.066   6.983
  781   2HA   GLY 105          1HA       GLY 105  -9.456   0.739   5.298
  782    H    ARG 106           H        ARG 106  -8.783  -1.346   5.437
  783    HA   ARG 106           HA       ARG 106  -5.915  -1.867   6.037
  784   1HB   ARG 106          2HB       ARG 106  -6.630  -4.168   6.496
  785   2HB   ARG 106          1HB       ARG 106  -7.258  -3.122   7.713
  786   1HG   ARG 106          2HG       ARG 106  -9.419  -3.135   6.673
  787   2HG   ARG 106          1HG       ARG 106  -8.720  -4.016   5.304
  788   1HD   ARG 106          2HD       ARG 106  -9.911  -5.518   6.766
  789   2HD   ARG 106          1HD       ARG 106  -8.159  -5.792   6.653
  790    HE   ARG 106           HE       ARG 106  -8.490  -4.253   8.876
  791   1HH1  ARG 106          1HH1      ARG 106  -9.911  -7.372   7.829
  792   2HH1  ARG 106          2HH1      ARG 106  -9.953  -7.989   9.415
  793   1HH2  ARG 106          1HH2      ARG 106  -8.620  -5.138  11.013
  794   2HH2  ARG 106          2HH2      ARG 106  -9.205  -6.714  11.267
  795    H    VAL 107           H        VAL 107  -4.980  -3.509   4.814
  796    HA   VAL 107           HA       VAL 107  -6.665  -4.529   2.709
  797    HB   VAL 107           HB       VAL 107  -4.804  -3.098   1.774
  798   1HG1  VAL 107          1HG1      VAL 107  -2.570  -4.053   1.700
  799   2HG1  VAL 107          2HG1      VAL 107  -3.102  -5.229   2.927
  800   3HG1  VAL 107          3HG1      VAL 107  -3.124  -3.477   3.278
  801   1HG2  VAL 107          1HG2      VAL 107  -5.881  -4.765   0.469
  802   2HG2  VAL 107          2HG2      VAL 107  -4.838  -5.993   1.157
  803   3HG2  VAL 107          3HG2      VAL 107  -4.146  -4.757   0.068
  804    H    VAL 108           H        VAL 108  -6.822  -6.587   2.578
  805    HA   VAL 108           HA       VAL 108  -5.383  -8.190   4.553
  806    HB   VAL 108           HB       VAL 108  -7.478  -9.593   4.670
  807   1HG1  VAL 108          1HG1      VAL 108  -7.109  -7.604   6.150
  808   2HG1  VAL 108          2HG1      VAL 108  -8.852  -7.846   5.723
  809   3HG1  VAL 108          3HG1      VAL 108  -7.898  -6.677   4.866
  810   1HG2  VAL 108          1HG2      VAL 108  -8.344  -9.000   2.391
  811   2HG2  VAL 108          2HG2      VAL 108  -8.593  -7.366   3.113
  812   3HG2  VAL 108          3HG2      VAL 108  -9.499  -8.718   3.735
  813    H    SER 109           H        SER 109  -4.661 -10.262   3.876
  814    HA   SER 109           HA       SER 109  -5.027 -10.807   1.072
  815   1HB   SER 109          2HB       SER 109  -2.579 -10.853   0.679
  816   2HB   SER 109          1HB       SER 109  -3.217  -9.275   1.193
  817    HG   SER 109           HG       SER 109  -2.294 -11.072   3.068
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1 -18.769  -3.472  -7.884
    2   2H    MET   1          2HT       MET   1 -17.999  -1.992  -8.094
    3   3H    MET   1          3HT       MET   1 -19.308  -2.145  -7.020
    4    HA   MET   1           HA       MET   1 -18.111  -3.600  -5.585
    5   1HB   MET   1          2HB       MET   1 -15.756  -4.027  -5.927
    6   2HB   MET   1          1HB       MET   1 -16.665  -4.618  -7.313
    7   1HG   MET   1          2HG       MET   1 -16.005  -2.661  -8.602
    8   2HG   MET   1          1HG       MET   1 -15.163  -2.004  -7.206
    9   1HE   MET   1          1HE       MET   1 -12.229  -4.563  -6.767
   10   2HE   MET   1          2HE       MET   1 -13.810  -4.671  -6.007
   11   3HE   MET   1          3HE       MET   1 -13.000  -3.106  -6.139
   12    H    GLY   2           H        GLY   2 -17.885  -0.514  -6.941
   13   1HA   GLY   2          2HA       GLY   2 -15.670   0.565  -5.659
   14   2HA   GLY   2          1HA       GLY   2 -17.006   1.443  -6.377
   15    H    HIS   3           H        HIS   3 -15.420   0.578  -3.598
   16    HA   HIS   3           HA       HIS   3 -17.580   1.260  -1.844
   17   1HB   HIS   3          2HB       HIS   3 -14.672   0.709  -1.299
   18   2HB   HIS   3          1HB       HIS   3 -15.705   1.401  -0.057
   19    HD1  HIS   3           1HD      HIS   3 -16.142  -0.433   1.524
   20    HD2  HIS   3           2HD      HIS   3 -16.470  -1.686  -2.423
   21    HE1  HIS   3           1HE      HIS   3 -16.931  -2.811   1.631
   22    HE2  HIS   3           2HE      HIS   3 -17.446  -3.375  -0.767
   23    H    HIS   4           H        HIS   4 -18.205   3.155  -2.723
   24    HA   HIS   4           HA       HIS   4 -16.415   5.423  -2.458
   25   1HB   HIS   4          2HB       HIS   4 -19.287   5.310  -3.416
   26   2HB   HIS   4          1HB       HIS   4 -18.278   6.748  -3.411
   27    HD1  HIS   4           1HD      HIS   4 -19.164   3.852  -5.459
   28    HD2  HIS   4           2HD      HIS   4 -16.027   6.570  -5.259
   29    HE1  HIS   4           1HE      HIS   4 -17.961   3.657  -7.639
   30    HE2  HIS   4           2HE      HIS   4 -16.314   5.538  -7.601
   31    H    HIS   5           H        HIS   5 -18.937   3.804  -0.883
   32    HA   HIS   5           HA       HIS   5 -19.319   5.927   1.053
   33   1HB   HIS   5          2HB       HIS   5 -20.512   3.143   0.932
   34   2HB   HIS   5          1HB       HIS   5 -20.972   4.386   2.083
   35    HD1  HIS   5           1HD      HIS   5 -21.690   3.106  -1.241
   36    HD2  HIS   5           2HD      HIS   5 -22.334   6.636   0.832
   37    HE1  HIS   5           1HE      HIS   5 -23.434   4.349  -2.550
   38    HE2  HIS   5           2HE      HIS   5 -24.017   6.289  -1.088
   39    H    HIS   6           H        HIS   6 -17.493   6.054   2.082
   40    HA   HIS   6           HA       HIS   6 -16.366   3.617   3.196
   41   1HB   HIS   6          2HB       HIS   6 -14.168   4.823   3.317
   42   2HB   HIS   6          1HB       HIS   6 -14.763   4.558   1.690
   43    HD1  HIS   6           1HD      HIS   6 -13.229   7.066   3.689
   44    HD2  HIS   6           2HD      HIS   6 -16.078   7.085   0.679
   45    HE1  HIS   6           1HE      HIS   6 -13.266   9.414   2.803
   46    HE2  HIS   6           2HE      HIS   6 -15.175   9.440   1.190
   47    H    HIS   7           H        HIS   7 -16.923   3.312   5.093
   48    HA   HIS   7           HA       HIS   7 -17.649   5.583   6.786
   49   1HB   HIS   7          2HB       HIS   7 -19.334   3.814   6.379
   50   2HB   HIS   7          1HB       HIS   7 -18.259   2.637   7.111
   51    HD1  HIS   7           1HD      HIS   7 -18.525   2.290   9.581
   52    HD2  HIS   7           2HD      HIS   7 -20.291   5.828   8.284
   53    HE1  HIS   7           1HE      HIS   7 -19.819   3.154  11.532
   54    HE2  HIS   7           2HE      HIS   7 -21.132   5.066  10.594
   55    H    HIS   8           H        HIS   8 -15.792   6.259   7.636
   56    HA   HIS   8           HA       HIS   8 -13.979   6.430   8.883
   57   1HB   HIS   8          2HB       HIS   8 -15.076   4.005  10.297
   58   2HB   HIS   8          1HB       HIS   8 -13.646   4.869  10.840
   59    HD1  HIS   8           1HD      HIS   8 -14.016   7.276  11.767
   60    HD2  HIS   8           2HD      HIS   8 -17.495   5.206  10.871
   61    HE1  HIS   8           1HE      HIS   8 -15.867   8.564  12.869
   62    HE2  HIS   8           2HE      HIS   8 -17.964   7.432  12.050
   63    H    LEU   9           H        LEU   9 -14.062   2.914   8.661
   64    HA   LEU   9           HA       LEU   9 -11.620   3.098   7.159
   65   1HB   LEU   9          2HB       LEU   9 -10.485   1.347   8.463
   66   2HB   LEU   9          1HB       LEU   9 -10.801   2.758   9.430
   67    HG   LEU   9           HG       LEU   9 -11.039   0.893  10.818
   68   1HD1  LEU   9          1HD1      LEU   9 -12.712   2.471  11.300
   69   2HD1  LEU   9          2HD1      LEU   9 -13.339   0.838  11.569
   70   3HD1  LEU   9          3HD1      LEU   9 -13.800   1.737  10.121
   71   1HD2  LEU   9          1HD2      LEU   9 -12.837  -0.403   8.779
   72   2HD2  LEU   9          2HD2      LEU   9 -12.490  -1.050  10.383
   73   3HD2  LEU   9          3HD2      LEU   9 -11.193  -0.887   9.197
   74    H    GLU  10           H        GLU  10 -11.421   1.721   5.589
   75    HA   GLU  10           HA       GLU  10 -13.669  -0.111   5.198
   76   1HB   GLU  10          2HB       GLU  10 -11.865   1.237   3.224
   77   2HB   GLU  10          1HB       GLU  10 -13.015  -0.018   2.798
   78   1HG   GLU  10          2HG       GLU  10 -13.648   2.632   4.014
   79   2HG   GLU  10          1HG       GLU  10 -13.854   2.202   2.317
   80    H    GLU  11           H        GLU  11 -13.280  -2.252   5.186
   81    HA   GLU  11           HA       GLU  11 -10.646  -3.165   4.966
   82   1HB   GLU  11          2HB       GLU  11 -12.060  -4.308   6.484
   83   2HB   GLU  11          1HB       GLU  11 -13.315  -4.494   5.263
   84   1HG   GLU  11          2HG       GLU  11 -12.049  -5.939   4.020
   85   2HG   GLU  11          1HG       GLU  11 -10.589  -5.753   4.935
   86    H    PHE  12           H        PHE  12  -9.768  -3.716   3.202
   87    HA   PHE  12           HA       PHE  12 -11.387  -4.212   0.842
   88   1HB   PHE  12          2HB       PHE  12  -8.731  -2.929   1.223
   89   2HB   PHE  12          1HB       PHE  12  -9.315  -3.723  -0.224
   90    HD1  PHE  12           1HD      PHE  12  -9.585  -0.740   1.942
   91    HD2  PHE  12           2HD      PHE  12 -11.221  -2.703  -1.475
   92    HE1  PHE  12           1HE      PHE  12 -10.743   1.309   1.316
   93    HE2  PHE  12           2HE      PHE  12 -12.389  -0.635  -2.087
   94    HZ   PHE  12           HZ       PHE  12 -12.154   1.364  -0.707
   95    H    THR  13           H        THR  13 -10.715  -5.958  -0.399
   96    HA   THR  13           HA       THR  13  -8.818  -7.712   0.954
   97    HB   THR  13           HB       THR  13 -10.426  -8.459  -1.458
   98    HG1  THR  13           1HG      THR  13 -11.333  -8.211   1.270
   99   1HG2  THR  13          1HG2      THR  13  -9.574  -9.924   1.013
  100   2HG2  THR  13          2HG2      THR  13  -8.724  -9.883  -0.523
  101   3HG2  THR  13          3HG2      THR  13 -10.346 -10.621  -0.434
  102    H    ALA  14           H        ALA  14  -7.146  -8.723  -0.476
  103    HA   ALA  14           HA       ALA  14  -5.616  -6.796  -1.733
  104   1HB   ALA  14          1HB       ALA  14  -5.423  -9.747  -2.215
  105   2HB   ALA  14          2HB       ALA  14  -4.750  -8.882  -0.830
  106   3HB   ALA  14          3HB       ALA  14  -4.159  -8.542  -2.457
  107    H    GLU  15           H        GLU  15  -7.639  -9.229  -3.441
  108    HA   GLU  15           HA       GLU  15  -6.768  -8.305  -5.998
  109   1HB   GLU  15          2HB       GLU  15  -9.201  -9.920  -5.274
  110   2HB   GLU  15          1HB       GLU  15  -8.596  -9.680  -6.892
  111   1HG   GLU  15          2HG       GLU  15  -7.134 -11.094  -4.662
  112   2HG   GLU  15          1HG       GLU  15  -7.927 -11.864  -6.036
  113    H    GLN  16           H        GLN  16  -9.309  -7.545  -3.869
  114    HA   GLN  16           HA       GLN  16 -10.788  -5.985  -5.714
  115   1HB   GLN  16          2HB       GLN  16 -10.860  -6.230  -2.711
  116   2HB   GLN  16          1HB       GLN  16 -11.865  -5.059  -3.531
  117   1HG   GLN  16          2HG       GLN  16 -13.185  -7.058  -3.078
  118   2HG   GLN  16          1HG       GLN  16 -12.911  -6.897  -4.803
  119   1HE2  GLN  16          1HE2      GLN  16 -12.252  -8.790  -1.997
  120   2HE2  GLN  16          2HE2      GLN  16 -11.541 -10.123  -2.831
  121    H    LEU  17           H        LEU  17  -8.346  -5.308  -3.297
  122    HA   LEU  17           HA       LEU  17  -8.302  -2.493  -3.412
  123   1HB   LEU  17          2HB       LEU  17  -7.172  -4.189  -1.781
  124   2HB   LEU  17          1HB       LEU  17  -5.892  -4.253  -2.959
  125    HG   LEU  17           HG       LEU  17  -5.170  -2.809  -1.204
  126   1HD1  LEU  17          1HD1      LEU  17  -4.814  -0.696  -2.149
  127   2HD1  LEU  17          2HD1      LEU  17  -5.962  -1.091  -3.438
  128   3HD1  LEU  17          3HD1      LEU  17  -4.469  -2.042  -3.241
  129   1HD2  LEU  17          1HD2      LEU  17  -7.281  -2.329  -0.176
  130   2HD2  LEU  17          2HD2      LEU  17  -7.710  -1.268  -1.527
  131   3HD2  LEU  17          3HD2      LEU  17  -6.358  -0.855  -0.469
  132    H    SER  18           H        SER  18  -6.680  -5.024  -5.299
  133    HA   SER  18           HA       SER  18  -4.915  -3.412  -6.742
  134   1HB   SER  18          2HB       SER  18  -6.109  -6.088  -7.455
  135   2HB   SER  18          1HB       SER  18  -4.731  -5.346  -8.272
  136    HG   SER  18           HG       SER  18  -4.217  -5.201  -5.730
  137    H    GLN  19           H        GLN  19  -8.252  -3.539  -6.984
  138    HA   GLN  19           HA       GLN  19  -8.186  -2.631  -9.745
  139   1HB   GLN  19          2HB       GLN  19 -10.496  -3.471  -7.985
  140   2HB   GLN  19          1HB       GLN  19 -10.658  -2.932  -9.655
  141   1HG   GLN  19          2HG       GLN  19  -9.359  -4.783 -10.450
  142   2HG   GLN  19          1HG       GLN  19  -8.989  -5.285  -8.805
  143   1HE2  GLN  19          1HE2      GLN  19 -10.486  -6.370  -7.651
  144   2HE2  GLN  19          2HE2      GLN  19 -11.939  -7.026  -8.321
  145    H    TYR  20           H        TYR  20  -7.860  -1.347  -6.799
  146    HA   TYR  20           HA       TYR  20  -9.106   1.223  -7.502
  147   1HB   TYR  20          2HB       TYR  20  -8.090   0.136  -4.859
  148   2HB   TYR  20          1HB       TYR  20  -8.559   1.811  -5.118
  149    HD1  TYR  20           1HD      TYR  20  -9.795  -1.651  -5.005
  150    HD2  TYR  20           2HD      TYR  20 -10.836   2.458  -5.100
  151    HE1  TYR  20           1HE      TYR  20 -12.104  -2.232  -4.441
  152    HE2  TYR  20           2HE      TYR  20 -13.160   1.890  -4.536
  153    HH   TYR  20           HH       TYR  20 -14.018  -1.302  -3.547
  154    H    ASN  21           H        ASN  21  -6.750   0.005  -8.630
  155    HA   ASN  21           HA       ASN  21  -4.485   1.396  -7.608
  156   1HB   ASN  21          2HB       ASN  21  -3.308   0.507  -9.561
  157   2HB   ASN  21          1HB       ASN  21  -4.218  -0.753  -8.741
  158   1HD2  ASN  21          1HD2      ASN  21  -3.256  -0.667 -11.414
  159   2HD2  ASN  21          2HD2      ASN  21  -4.604  -0.888 -12.466
  160    H    GLY  22           H        GLY  22  -7.054   2.168  -9.691
  161   1HA   GLY  22          2HA       GLY  22  -7.582   4.404 -10.215
  162   2HA   GLY  22          1HA       GLY  22  -5.888   4.817 -10.022
  163    H    THR  23           H        THR  23  -6.384   2.092 -12.021
  164    HA   THR  23           HA       THR  23  -5.633   3.739 -14.290
  165    HB   THR  23           HB       THR  23  -4.548   1.556 -13.850
  166    HG1  THR  23           1HG      THR  23  -5.641   1.065 -16.349
  167   1HG2  THR  23          1HG2      THR  23  -5.698  -0.526 -14.582
  168   2HG2  THR  23          2HG2      THR  23  -7.187   0.405 -14.762
  169   3HG2  THR  23          3HG2      THR  23  -6.445   0.223 -13.172
  170    H    ASP  24           H        ASP  24  -8.421   2.626 -12.942
  171    HA   ASP  24           HA       ASP  24  -9.913   2.546 -15.405
  172   1HB   ASP  24          2HB       ASP  24 -10.579   1.351 -13.168
  173   2HB   ASP  24          1HB       ASP  24 -10.993   2.943 -12.615
  174    H    GLU  25           H        GLU  25 -11.912   4.189 -15.351
  175    HA   GLU  25           HA       GLU  25 -10.390   6.573 -15.427
  176   1HB   GLU  25          2HB       GLU  25 -11.763   5.838 -17.377
  177   2HB   GLU  25          1HB       GLU  25 -13.192   6.234 -16.418
  178   1HG   GLU  25          2HG       GLU  25 -12.406   8.505 -16.160
  179   2HG   GLU  25          1HG       GLU  25 -10.939   7.923 -17.002
  180    H    SER  26           H        SER  26 -10.169   6.859 -13.360
  181    HA   SER  26           HA       SER  26 -10.430   8.201 -11.628
  182   1HB   SER  26          2HB       SER  26 -11.629   9.755 -13.110
  183   2HB   SER  26          1HB       SER  26 -13.136   8.927 -12.720
  184    HG   SER  26           HG       SER  26 -11.433  10.430 -11.050
  185    H    LYS  27           H        LYS  27 -10.323   6.217 -10.491
  186    HA   LYS  27           HA       LYS  27 -12.622   6.159  -8.703
  187   1HB   LYS  27          2HB       LYS  27 -10.872   3.737  -9.325
  188   2HB   LYS  27          1HB       LYS  27 -12.134   3.784  -8.114
  189   1HG   LYS  27          2HG       LYS  27 -13.651   4.361 -10.188
  190   2HG   LYS  27          1HG       LYS  27 -12.341   3.591 -11.079
  191   1HD   LYS  27          2HD       LYS  27 -13.964   2.370  -8.835
  192   2HD   LYS  27          1HD       LYS  27 -14.043   1.943 -10.536
  193   1HE   LYS  27          2HE       LYS  27 -11.621   1.572  -8.762
  194   2HE   LYS  27          1HE       LYS  27 -12.793   0.316  -9.129
  195   1HZ   LYS  27          1HZ       LYS  27 -11.081   1.695 -11.132
  196   2HZ   LYS  27          2HZ       LYS  27 -12.167   0.418 -11.425
  197   3HZ   LYS  27          3HZ       LYS  27 -10.817   0.169 -10.463
  198    HA   PRO  28           HA       PRO  28  -9.684   7.278  -5.593
  199   1HB   PRO  28          2HB       PRO  28 -10.544   4.974  -3.922
  200   2HB   PRO  28          1HB       PRO  28 -10.526   6.695  -3.527
  201   1HG   PRO  28          2HG       PRO  28 -12.823   5.457  -4.023
  202   2HG   PRO  28          1HG       PRO  28 -12.535   7.104  -4.613
  203   1HD   PRO  28          2HD       PRO  28 -12.430   4.514  -6.100
  204   2HD   PRO  28          1HD       PRO  28 -13.088   6.082  -6.607
  205    H    ILE  29           H        ILE  29  -7.600   6.774  -4.996
  206    HA   ILE  29           HA       ILE  29  -6.624   4.200  -6.027
  207    HB   ILE  29           HB       ILE  29  -4.946   6.722  -5.663
  208   1HG1  ILE  29          2HG1      ILE  29  -4.822   6.730  -8.203
  209   2HG1  ILE  29          1HG1      ILE  29  -6.177   5.617  -8.212
  210   1HG2  ILE  29          1HG2      ILE  29  -3.677   4.662  -5.507
  211   2HG2  ILE  29          2HG2      ILE  29  -3.273   5.516  -6.996
  212   3HG2  ILE  29          3HG2      ILE  29  -4.340   4.115  -7.048
  213   1HD1  ILE  29          1HD1      ILE  29  -6.907   7.849  -8.654
  214   2HD1  ILE  29          2HD1      ILE  29  -6.122   8.432  -7.193
  215   3HD1  ILE  29          3HD1      ILE  29  -7.520   7.348  -7.072
  216    H    TYR  30           H        TYR  30  -5.606   2.878  -4.663
  217    HA   TYR  30           HA       TYR  30  -4.843   3.924  -2.000
  218   1HB   TYR  30          2HB       TYR  30  -6.361   1.371  -2.511
  219   2HB   TYR  30          1HB       TYR  30  -5.752   1.935  -0.965
  220    HD1  TYR  30           1HD      TYR  30  -8.550   1.821  -3.086
  221    HD2  TYR  30           2HD      TYR  30  -6.632   4.286  -0.223
  222    HE1  TYR  30           1HE      TYR  30 -10.659   3.020  -2.718
  223    HE2  TYR  30           2HE      TYR  30  -8.737   5.494   0.152
  224    HH   TYR  30           HH       TYR  30 -10.748   5.937  -0.970
  225    H    VAL  31           H        VAL  31  -3.276   3.007  -0.962
  226    HA   VAL  31           HA       VAL  31  -1.781   0.845  -2.264
  227    HB   VAL  31           HB       VAL  31   0.288   1.794  -1.315
  228   1HG1  VAL  31          1HG1      VAL  31  -1.072   3.715  -3.194
  229   2HG1  VAL  31          2HG1      VAL  31  -0.129   2.270  -3.623
  230   3HG1  VAL  31          3HG1      VAL  31   0.661   3.630  -2.849
  231   1HG2  VAL  31          1HG2      VAL  31  -0.609   3.071   0.480
  232   2HG2  VAL  31          2HG2      VAL  31  -1.399   4.171  -0.653
  233   3HG2  VAL  31          3HG2      VAL  31   0.370   4.129  -0.549
  234    H    ALA  32           H        ALA  32  -0.542  -0.409  -0.639
  235    HA   ALA  32           HA       ALA  32  -1.627  -0.034   2.032
  236   1HB   ALA  32          1HB       ALA  32  -2.876  -1.826   0.953
  237   2HB   ALA  32          2HB       ALA  32  -1.905  -2.437   2.288
  238   3HB   ALA  32          3HB       ALA  32  -1.380  -2.691   0.626
  239    H    ILE  33           H        ILE  33  -0.273  -0.249   3.617
  240    HA   ILE  33           HA       ILE  33   2.395  -1.405   3.156
  241    HB   ILE  33           HB       ILE  33   1.796   1.095   4.805
  242   1HG1  ILE  33          2HG1      ILE  33   3.292   0.863   2.199
  243   2HG1  ILE  33          1HG1      ILE  33   1.720   1.617   2.397
  244   1HG2  ILE  33          1HG2      ILE  33   4.245   1.306   5.006
  245   2HG2  ILE  33          2HG2      ILE  33   4.433  -0.249   4.218
  246   3HG2  ILE  33          3HG2      ILE  33   3.616  -0.145   5.789
  247   1HD1  ILE  33          1HD1      ILE  33   3.469   3.295   2.277
  248   2HD1  ILE  33          2HD1      ILE  33   4.309   2.519   3.616
  249   3HD1  ILE  33          3HD1      ILE  33   2.748   3.291   3.894
  250    H    LYS  34           H        LYS  34   2.454  -3.143   4.481
  251    HA   LYS  34           HA       LYS  34   2.264  -4.497   6.332
  252   1HB   LYS  34          2HB       LYS  34   1.430  -1.955   7.743
  253   2HB   LYS  34          1HB       LYS  34   1.733  -3.480   8.554
  254   1HG   LYS  34          2HG       LYS  34   3.750  -1.872   7.010
  255   2HG   LYS  34          1HG       LYS  34   3.553  -1.838   8.759
  256   1HD   LYS  34          2HD       LYS  34   4.054  -4.265   8.797
  257   2HD   LYS  34          1HD       LYS  34   4.381  -4.184   7.063
  258   1HE   LYS  34          2HE       LYS  34   6.455  -4.021   8.354
  259   2HE   LYS  34          1HE       LYS  34   6.128  -2.536   7.461
  260   1HZ   LYS  34          1HZ       LYS  34   5.523  -2.932  10.347
  261   2HZ   LYS  34          2HZ       LYS  34   5.345  -1.484   9.468
  262   3HZ   LYS  34          3HZ       LYS  34   6.860  -2.102   9.747
  263    H    GLY  35           H        GLY  35   0.036  -3.749   4.470
  264   1HA   GLY  35          2HA       GLY  35  -2.074  -4.500   4.174
  265   2HA   GLY  35          1HA       GLY  35  -2.143  -5.107   5.805
  266    H    ARG  36           H        ARG  36  -1.123  -1.895   5.705
  267    HA   ARG  36           HA       ARG  36  -3.741  -0.956   6.580
  268   1HB   ARG  36          2HB       ARG  36  -1.021   0.373   6.614
  269   2HB   ARG  36          1HB       ARG  36  -2.485   1.006   7.356
  270   1HG   ARG  36          2HG       ARG  36  -2.510  -0.803   8.948
  271   2HG   ARG  36          1HG       ARG  36  -1.140  -1.570   8.145
  272   1HD   ARG  36          2HD       ARG  36  -0.427  -0.374  10.145
  273   2HD   ARG  36          1HD       ARG  36   0.264   0.348   8.695
  274    HE   ARG  36           HE       ARG  36  -2.120   1.654   9.305
  275   1HH1  ARG  36          1HH1      ARG  36   1.204   1.362  10.514
  276   2HH1  ARG  36          2HH1      ARG  36   1.194   2.830  11.343
  277   1HH2  ARG  36          1HH2      ARG  36  -2.151   3.704  10.512
  278   2HH2  ARG  36          2HH2      ARG  36  -0.748   4.173  11.342
  279    H    VAL  37           H        VAL  37  -4.931   0.227   5.200
  280    HA   VAL  37           HA       VAL  37  -3.737   0.840   2.627
  281    HB   VAL  37           HB       VAL  37  -6.638   0.725   3.497
  282   1HG1  VAL  37          1HG1      VAL  37  -5.445   1.296   0.802
  283   2HG1  VAL  37          2HG1      VAL  37  -6.325   2.471   1.786
  284   3HG1  VAL  37          3HG1      VAL  37  -7.165   1.065   1.109
  285   1HG2  VAL  37          1HG2      VAL  37  -5.534  -1.415   3.247
  286   2HG2  VAL  37          2HG2      VAL  37  -4.994  -0.959   1.633
  287   3HG2  VAL  37          3HG2      VAL  37  -6.714  -1.160   1.964
  288    H    PHE  38           H        PHE  38  -3.155   2.725   2.103
  289    HA   PHE  38           HA       PHE  38  -4.074   5.072   3.626
  290   1HB   PHE  38          2HB       PHE  38  -1.651   4.607   1.912
  291   2HB   PHE  38          1HB       PHE  38  -2.040   6.165   2.617
  292    HD1  PHE  38           1HD      PHE  38  -1.252   2.601   3.555
  293    HD2  PHE  38           2HD      PHE  38  -1.142   6.708   4.709
  294    HE1  PHE  38           1HE      PHE  38   0.101   2.019   5.494
  295    HE2  PHE  38           2HE      PHE  38   0.210   6.111   6.658
  296    HZ   PHE  38           HZ       PHE  38   0.841   3.762   7.057
  297    H    ASP  39           H        ASP  39  -5.023   6.758   2.494
  298    HA   ASP  39           HA       ASP  39  -5.881   6.170  -0.232
  299   1HB   ASP  39          2HB       ASP  39  -7.539   7.133   1.309
  300   2HB   ASP  39          1HB       ASP  39  -6.530   8.558   1.524
  301    H    VAL  40           H        VAL  40  -4.668   6.648  -1.861
  302    HA   VAL  40           HA       VAL  40  -2.981   9.043  -1.695
  303    HB   VAL  40           HB       VAL  40  -1.559   7.972  -3.482
  304   1HG1  VAL  40          1HG1      VAL  40  -1.752   6.426  -0.895
  305   2HG1  VAL  40          2HG1      VAL  40  -0.852   7.927  -1.171
  306   3HG1  VAL  40          3HG1      VAL  40  -0.389   6.454  -2.024
  307   1HG2  VAL  40          1HG2      VAL  40  -3.152   5.506  -2.799
  308   2HG2  VAL  40          2HG2      VAL  40  -1.720   5.574  -3.837
  309   3HG2  VAL  40          3HG2      VAL  40  -3.202   6.393  -4.321
  310    H    THR  41           H        THR  41  -5.799   8.764  -2.492
  311    HA   THR  41           HA       THR  41  -6.003   9.006  -5.288
  312    HB   THR  41           HB       THR  41  -7.898  10.081  -3.170
  313    HG1  THR  41           1HG      THR  41  -8.081   8.031  -2.680
  314   1HG2  THR  41          1HG2      THR  41  -8.379  10.835  -5.470
  315   2HG2  THR  41          2HG2      THR  41  -9.619   9.721  -4.899
  316   3HG2  THR  41          3HG2      THR  41  -8.372   9.162  -6.020
  317    H    THR  42           H        THR  42  -5.105  11.160  -2.737
  318    HA   THR  42           HA       THR  42  -5.478  13.635  -4.031
  319    HB   THR  42           HB       THR  42  -3.708  14.317  -2.309
  320    HG1  THR  42           1HG      THR  42  -3.649  12.504  -0.640
  321   1HG2  THR  42          1HG2      THR  42  -6.138  14.552  -1.907
  322   2HG2  THR  42          2HG2      THR  42  -5.288  14.090  -0.432
  323   3HG2  THR  42          3HG2      THR  42  -6.193  12.881  -1.344
  324    H    GLY  43           H        GLY  43  -2.675  11.541  -3.526
  325   1HA   GLY  43          2HA       GLY  43  -1.080  13.011  -5.472
  326   2HA   GLY  43          1HA       GLY  43  -0.531  11.661  -4.483
  327    H    LYS  44           H        LYS  44  -3.266  11.985  -6.675
  328    HA   LYS  44           HA       LYS  44  -3.169   9.409  -7.642
  329   1HB   LYS  44          2HB       LYS  44  -5.126  10.756  -7.590
  330   2HB   LYS  44          1HB       LYS  44  -4.367  11.933  -8.649
  331   1HG   LYS  44          2HG       LYS  44  -4.376  10.341 -10.461
  332   2HG   LYS  44          1HG       LYS  44  -5.036   9.121  -9.384
  333   1HD   LYS  44          2HD       LYS  44  -6.594  10.235 -10.849
  334   2HD   LYS  44          1HD       LYS  44  -7.054  10.269  -9.120
  335   1HE   LYS  44          2HE       LYS  44  -6.204  12.622  -9.070
  336   2HE   LYS  44          1HE       LYS  44  -5.816  12.495 -10.783
  337   1HZ   LYS  44          1HZ       LYS  44  -8.534  12.348  -9.600
  338   2HZ   LYS  44          2HZ       LYS  44  -8.169  12.244 -11.245
  339   3HZ   LYS  44          3HZ       LYS  44  -7.873  13.669 -10.416
  340    H    SER  45           H        SER  45  -1.814  12.394  -8.883
  341    HA   SER  45           HA       SER  45  -0.952  11.538 -11.400
  342   1HB   SER  45          2HB       SER  45   0.415  13.502  -9.551
  343   2HB   SER  45          1HB       SER  45   0.658  13.383 -11.293
  344    HG   SER  45           HG       SER  45  -1.927  13.566 -10.902
  345    H    PHE  46           H        PHE  46   0.248  10.697  -8.279
  346    HA   PHE  46           HA       PHE  46   2.803   9.786  -9.302
  347   1HB   PHE  46          2HB       PHE  46   1.634   9.681  -6.526
  348   2HB   PHE  46          1HB       PHE  46   3.253   9.159  -6.944
  349    HD1  PHE  46           1HD      PHE  46   4.955  10.820  -7.561
  350    HD2  PHE  46           2HD      PHE  46   1.070  11.978  -6.274
  351    HE1  PHE  46           1HE      PHE  46   5.781  13.085  -7.126
  352    HE2  PHE  46           2HE      PHE  46   1.890  14.254  -5.838
  353    HZ   PHE  46           HZ       PHE  46   4.246  14.807  -6.263
  354    H    TYR  47           H        TYR  47  -0.193   8.455  -7.948
  355    HA   TYR  47           HA       TYR  47   0.870   5.751  -8.352
  356   1HB   TYR  47          2HB       TYR  47  -1.456   6.715  -6.711
  357   2HB   TYR  47          1HB       TYR  47  -0.887   5.057  -6.751
  358    HD1  TYR  47           1HD      TYR  47  -0.208   8.461  -5.587
  359    HD2  TYR  47           2HD      TYR  47   1.178   4.447  -5.560
  360    HE1  TYR  47           1HE      TYR  47   1.341   9.030  -3.784
  361    HE2  TYR  47           2HE      TYR  47   2.746   5.010  -3.736
  362    HH   TYR  47           HH       TYR  47   3.861   6.976  -2.817
  363    H    GLY  48           H        GLY  48  -2.176   7.583  -8.912
  364   1HA   GLY  48          2HA       GLY  48  -3.816   5.528  -9.645
  365   2HA   GLY  48          1HA       GLY  48  -4.026   7.200 -10.085
  366    H    SER  49           H        SER  49  -2.576   7.772 -12.171
  367    HA   SER  49           HA       SER  49  -3.757   5.890 -14.056
  368   1HB   SER  49          2HB       SER  49  -2.692   8.667 -14.495
  369   2HB   SER  49          1HB       SER  49  -3.589   7.698 -15.666
  370    HG   SER  49           HG       SER  49  -5.124   7.619 -13.676
  371    H    GLY  50           H        GLY  50  -0.927   5.985 -12.696
  372   1HA   GLY  50          2HA       GLY  50   0.693   4.381 -13.645
  373   2HA   GLY  50          1HA       GLY  50   0.396   5.168 -15.190
  374    H    GLY  51           H        GLY  51   1.022   6.491 -11.986
  375   1HA   GLY  51          2HA       GLY  51   2.904   8.301 -13.092
  376   2HA   GLY  51          1HA       GLY  51   2.462   8.153 -11.403
  377    H    ASP  52           H        ASP  52   4.829   8.381 -11.070
  378    HA   ASP  52           HA       ASP  52   6.588   6.271 -11.873
  379   1HB   ASP  52          2HB       ASP  52   7.435   8.534 -11.344
  380   2HB   ASP  52          1HB       ASP  52   6.921   8.328  -9.673
  381    H    TYR  53           H        TYR  53   4.449   6.794  -9.256
  382    HA   TYR  53           HA       TYR  53   5.531   4.528  -7.753
  383   1HB   TYR  53          2HB       TYR  53   3.601   6.708  -6.956
  384   2HB   TYR  53          1HB       TYR  53   4.088   5.380  -5.914
  385    HD1  TYR  53           1HD      TYR  53   5.123   8.535  -7.449
  386    HD2  TYR  53           2HD      TYR  53   6.321   5.296  -4.975
  387    HE1  TYR  53           1HE      TYR  53   7.062   9.834  -6.702
  388    HE2  TYR  53           2HE      TYR  53   8.266   6.585  -4.219
  389    HH   TYR  53           HH       TYR  53   8.600   9.889  -4.738
  390    H    SER  54           H        SER  54   3.763   4.588 -10.225
  391    HA   SER  54           HA       SER  54   1.155   3.778  -9.648
  392   1HB   SER  54          2HB       SER  54   1.983   4.470 -11.879
  393   2HB   SER  54          1HB       SER  54   2.895   2.966 -11.977
  394    HG   SER  54           HG       SER  54   0.074   3.230 -11.797
  395    H    MET  55           H        MET  55   4.127   2.064  -9.371
  396    HA   MET  55           HA       MET  55   3.197  -0.609  -9.644
  397   1HB   MET  55          2HB       MET  55   5.486   0.222  -7.875
  398   2HB   MET  55          1HB       MET  55   5.256  -1.310  -8.698
  399   1HG   MET  55          2HG       MET  55   5.888   1.328  -9.852
  400   2HG   MET  55          1HG       MET  55   6.950  -0.065  -9.777
  401   1HE   MET  55          1HE       MET  55   7.492   0.219 -12.410
  402   2HE   MET  55          2HE       MET  55   6.400   1.600 -12.450
  403   3HE   MET  55          3HE       MET  55   6.234   0.313 -13.645
  404    H    PHE  56           H        PHE  56   3.291   1.687  -7.060
  405    HA   PHE  56           HA       PHE  56   2.877  -0.164  -4.914
  406   1HB   PHE  56          2HB       PHE  56   2.617   2.847  -5.039
  407   2HB   PHE  56          1HB       PHE  56   2.593   1.893  -3.565
  408    HD1  PHE  56           1HD      PHE  56   4.727   2.829  -6.459
  409    HD2  PHE  56           2HD      PHE  56   4.587   1.372  -2.478
  410    HE1  PHE  56           1HE      PHE  56   7.162   3.060  -6.301
  411    HE2  PHE  56           2HE      PHE  56   7.010   1.586  -2.300
  412    HZ   PHE  56           HZ       PHE  56   8.323   2.436  -4.217
  413    H    ALA  57           H        ALA  57   0.924   1.481  -7.173
  414    HA   ALA  57           HA       ALA  57  -1.387   1.869  -5.617
  415   1HB   ALA  57          1HB       ALA  57  -2.509   2.356  -7.712
  416   2HB   ALA  57          2HB       ALA  57  -1.169   1.649  -8.610
  417   3HB   ALA  57          3HB       ALA  57  -0.918   3.121  -7.680
  418    H    GLY  58           H        GLY  58  -2.905   0.567  -4.998
  419   1HA   GLY  58          2HA       GLY  58  -4.441  -1.043  -4.987
  420   2HA   GLY  58          1HA       GLY  58  -3.991  -1.567  -6.566
  421    H    LYS  59           H        LYS  59  -1.447  -1.450  -4.216
  422    HA   LYS  59           HA       LYS  59  -1.945  -4.193  -3.517
  423   1HB   LYS  59          2HB       LYS  59   0.264  -4.986  -4.306
  424   2HB   LYS  59          1HB       LYS  59  -0.721  -4.479  -5.645
  425   1HG   LYS  59          2HG       LYS  59   0.479  -2.350  -5.664
  426   2HG   LYS  59          1HG       LYS  59   1.574  -3.035  -4.455
  427   1HD   LYS  59          2HD       LYS  59   2.530  -3.389  -6.641
  428   2HD   LYS  59          1HD       LYS  59   2.009  -4.942  -5.990
  429   1HE   LYS  59          2HE       LYS  59   1.462  -4.730  -8.340
  430   2HE   LYS  59          1HE       LYS  59  -0.018  -4.815  -7.404
  431   1HZ   LYS  59          1HZ       LYS  59  -0.096  -3.108  -9.134
  432   2HZ   LYS  59          2HZ       LYS  59   1.215  -2.306  -8.433
  433   3HZ   LYS  59          3HZ       LYS  59  -0.248  -2.389  -7.621
  434    H    ASP  60           H        ASP  60  -0.336  -4.994  -1.962
  435    HA   ASP  60           HA       ASP  60   0.403  -2.836  -0.181
  436   1HB   ASP  60          2HB       ASP  60  -0.527  -4.997   0.739
  437   2HB   ASP  60          1HB       ASP  60   0.916  -5.806   0.130
  438    H    ALA  61           H        ALA  61   2.267  -2.008  -0.140
  439    HA   ALA  61           HA       ALA  61   4.271  -3.156  -1.949
  440   1HB   ALA  61          1HB       ALA  61   3.714  -0.285  -1.295
  441   2HB   ALA  61          2HB       ALA  61   3.229  -1.143  -2.760
  442   3HB   ALA  61          3HB       ALA  61   4.941  -0.882  -2.415
  443    H    SER  62           H        SER  62   3.891  -3.472   1.076
  444    HA   SER  62           HA       SER  62   5.810  -1.879   2.268
  445   1HB   SER  62          2HB       SER  62   5.795  -3.557   4.165
  446   2HB   SER  62          1HB       SER  62   4.226  -2.911   3.712
  447    HG   SER  62           HG       SER  62   3.848  -4.792   2.529
  448    H    ARG  63           H        ARG  63   6.237  -5.067   0.748
  449    HA   ARG  63           HA       ARG  63   8.962  -5.247   1.475
  450   1HB   ARG  63          2HB       ARG  63   7.821  -7.251   0.755
  451   2HB   ARG  63          1HB       ARG  63   7.455  -6.535  -0.808
  452   1HG   ARG  63          2HG       ARG  63   9.804  -6.529  -1.389
  453   2HG   ARG  63          1HG       ARG  63  10.216  -7.168   0.198
  454   1HD   ARG  63          2HD       ARG  63   9.081  -9.236  -0.290
  455   2HD   ARG  63          1HD       ARG  63   8.466  -8.581  -1.809
  456    HE   ARG  63           HE       ARG  63  10.965  -8.357  -2.377
  457   1HH1  ARG  63          1HH1      ARG  63   9.663 -11.047  -0.456
  458   2HH1  ARG  63          2HH1      ARG  63  10.814 -12.144  -1.057
  459   1HH2  ARG  63          1HH2      ARG  63  12.449  -9.814  -3.120
  460   2HH2  ARG  63          2HH2      ARG  63  12.483 -11.453  -2.580
  461    H    ALA  64           H        ALA  64   7.349  -3.563  -1.066
  462    HA   ALA  64           HA       ALA  64   9.602  -3.231  -2.811
  463   1HB   ALA  64          1HB       ALA  64   7.008  -1.687  -2.631
  464   2HB   ALA  64          2HB       ALA  64   7.356  -3.031  -3.735
  465   3HB   ALA  64          3HB       ALA  64   8.204  -1.505  -3.906
  466    H    LEU  65           H        LEU  65   8.104  -1.564  -0.250
  467    HA   LEU  65           HA       LEU  65   9.562   0.829  -0.276
  468   1HB   LEU  65          2HB       LEU  65   8.069  -0.689   1.800
  469   2HB   LEU  65          1HB       LEU  65   8.807   0.853   2.142
  470    HG   LEU  65           HG       LEU  65   6.596   0.351   0.120
  471   1HD1  LEU  65          1HD1      LEU  65   5.825   0.198   2.431
  472   2HD1  LEU  65          2HD1      LEU  65   5.236   1.650   1.629
  473   3HD1  LEU  65          3HD1      LEU  65   6.551   1.765   2.787
  474   1HD2  LEU  65          1HD2      LEU  65   7.950   2.786   1.077
  475   2HD2  LEU  65          2HD2      LEU  65   6.527   2.791   0.024
  476   3HD2  LEU  65          3HD2      LEU  65   8.090   2.146  -0.561
  477    H    GLY  66           H        GLY  66  10.112  -2.231   1.398
  478   1HA   GLY  66          2HA       GLY  66  12.398  -1.194   2.797
  479   2HA   GLY  66          1HA       GLY  66  11.898  -2.858   2.784
  480    H    LYS  67           H        LYS  67  11.913  -3.200  -0.012
  481    HA   LYS  67           HA       LYS  67  14.724  -3.736  -0.371
  482   1HB   LYS  67          2HB       LYS  67  12.437  -4.038  -2.314
  483   2HB   LYS  67          1HB       LYS  67  14.011  -4.798  -2.448
  484   1HG   LYS  67          2HG       LYS  67  12.055  -5.284  -0.235
  485   2HG   LYS  67          1HG       LYS  67  12.168  -6.306  -1.654
  486   1HD   LYS  67          2HD       LYS  67  14.376  -5.787   0.370
  487   2HD   LYS  67          1HD       LYS  67  13.358  -7.224   0.327
  488   1HE   LYS  67          2HE       LYS  67  14.169  -7.703  -1.902
  489   2HE   LYS  67          1HE       LYS  67  15.244  -6.323  -1.831
  490   1HZ   LYS  67          1HZ       LYS  67  16.407  -7.298   0.052
  491   2HZ   LYS  67          2HZ       LYS  67  16.414  -8.389  -1.237
  492   3HZ   LYS  67          3HZ       LYS  67  15.380  -8.644   0.045
  493    H    MET  68           H        MET  68  12.393  -1.447  -1.434
  494    HA   MET  68           HA       MET  68  12.398   0.403  -2.595
  495   1HB   MET  68          2HB       MET  68  15.427   0.328  -2.460
  496   2HB   MET  68          1HB       MET  68  14.448   1.699  -2.971
  497   1HG   MET  68          2HG       MET  68  13.409   1.668  -0.685
  498   2HG   MET  68          1HG       MET  68  14.578   0.451  -0.263
  499   1HE   MET  68          1HE       MET  68  14.175   4.191  -1.454
  500   2HE   MET  68          2HE       MET  68  15.249   3.489  -2.666
  501   3HE   MET  68          3HE       MET  68  15.864   4.683  -1.532
  502    H    SER  69           H        SER  69  11.620  -1.290  -3.879
  503    HA   SER  69           HA       SER  69  13.012  -1.442  -6.431
  504   1HB   SER  69          2HB       SER  69  11.776  -3.641  -4.859
  505   2HB   SER  69          1HB       SER  69  12.438  -3.826  -6.486
  506    HG   SER  69           HG       SER  69  14.254  -2.653  -4.960
  507    H    LYS  70           H        LYS  70  11.637  -0.993  -8.003
  508    HA   LYS  70           HA       LYS  70   8.815  -0.703  -7.368
  509   1HB   LYS  70          2HB       LYS  70  10.500   0.253  -9.662
  510   2HB   LYS  70          1HB       LYS  70   8.787   0.588  -9.455
  511   1HG   LYS  70          2HG       LYS  70   9.157   1.839  -7.501
  512   2HG   LYS  70          1HG       LYS  70  10.840   1.287  -7.415
  513   1HD   LYS  70          2HD       LYS  70  10.603   3.638  -8.280
  514   2HD   LYS  70          1HD       LYS  70  11.374   2.552  -9.432
  515   1HE   LYS  70          2HE       LYS  70   9.168   2.259 -10.554
  516   2HE   LYS  70          1HE       LYS  70   8.489   3.445  -9.439
  517   1HZ   LYS  70          1HZ       LYS  70  10.737   3.967 -11.282
  518   2HZ   LYS  70          2HZ       LYS  70   9.890   5.134 -10.391
  519   3HZ   LYS  70          3HZ       LYS  70   9.138   4.318 -11.639
  520    H    ASN  71           H        ASN  71  10.889  -2.874  -8.732
  521    HA   ASN  71           HA       ASN  71   9.291  -3.902 -10.812
  522   1HB   ASN  71          2HB       ASN  71  10.721  -5.970 -10.595
  523   2HB   ASN  71          1HB       ASN  71  11.645  -4.487 -10.772
  524   1HD2  ASN  71          1HD2      ASN  71  10.849  -7.119  -8.714
  525   2HD2  ASN  71          2HD2      ASN  71  11.989  -6.787  -7.459
  526    H    GLU  72           H        GLU  72   7.726  -5.407 -10.846
  527    HA   GLU  72           HA       GLU  72   5.915  -5.432  -8.727
  528   1HB   GLU  72          2HB       GLU  72   6.038  -7.358 -11.038
  529   2HB   GLU  72          1HB       GLU  72   4.633  -6.998 -10.047
  530   1HG   GLU  72          2HG       GLU  72   4.687  -4.673 -10.848
  531   2HG   GLU  72          1HG       GLU  72   6.057  -5.086 -11.879
  532    H    GLU  73           H        GLU  73   8.432  -7.587  -9.573
  533    HA   GLU  73           HA       GLU  73   7.782  -9.927  -8.184
  534   1HB   GLU  73          2HB       GLU  73  10.545  -8.740  -8.491
  535   2HB   GLU  73          1HB       GLU  73  10.140 -10.413  -8.189
  536   1HG   GLU  73          2HG       GLU  73   9.166 -10.655 -10.339
  537   2HG   GLU  73          1HG       GLU  73   9.341  -8.931 -10.668
  538    H    ASP  74           H        ASP  74   9.038  -6.843  -6.976
  539    HA   ASP  74           HA       ASP  74   9.254  -8.058  -4.332
  540   1HB   ASP  74          2HB       ASP  74  10.706  -5.669  -5.441
  541   2HB   ASP  74          1HB       ASP  74  10.624  -5.995  -3.716
  542    H    VAL  75           H        VAL  75   7.045  -6.300  -5.989
  543    HA   VAL  75           HA       VAL  75   6.377  -4.669  -3.644
  544    HB   VAL  75           HB       VAL  75   4.412  -5.046  -5.881
  545   1HG1  VAL  75          1HG1      VAL  75   5.159  -2.705  -4.182
  546   2HG1  VAL  75          2HG1      VAL  75   3.673  -3.675  -4.088
  547   3HG1  VAL  75          3HG1      VAL  75   4.011  -2.646  -5.495
  548   1HG2  VAL  75          1HG2      VAL  75   6.507  -4.616  -7.077
  549   2HG2  VAL  75          2HG2      VAL  75   6.659  -3.074  -6.175
  550   3HG2  VAL  75          3HG2      VAL  75   5.252  -3.386  -7.223
  551    H    SER  76           H        SER  76   5.703  -5.882  -2.010
  552    HA   SER  76           HA       SER  76   3.537  -7.751  -2.390
  553   1HB   SER  76          2HB       SER  76   5.489  -9.084  -2.995
  554   2HB   SER  76          1HB       SER  76   6.314  -8.591  -1.531
  555    HG   SER  76           HG       SER  76   4.351 -10.518  -1.886
  556    HA   PRO  77           HA       PRO  77   2.989  -6.583   1.938
  557   1HB   PRO  77          2HB       PRO  77   1.341  -8.585   2.714
  558   2HB   PRO  77          1HB       PRO  77   0.776  -7.250   1.706
  559   1HG   PRO  77          2HG       PRO  77   1.574 -10.021   0.915
  560   2HG   PRO  77          1HG       PRO  77   0.201  -9.052   0.350
  561   1HD   PRO  77          2HD       PRO  77   2.497  -9.333  -1.069
  562   2HD   PRO  77          1HD       PRO  77   1.497  -7.868  -1.143
  563    H    SER  78           H        SER  78   4.432  -9.436   0.764
  564    HA   SER  78           HA       SER  78   5.044 -10.599   3.390
  565   1HB   SER  78          2HB       SER  78   4.571 -11.959   1.232
  566   2HB   SER  78          1HB       SER  78   6.141 -11.300   0.725
  567    HG   SER  78           HG       SER  78   6.945 -12.929   1.715
  568    H    LEU  79           H        LEU  79   6.656 -10.254   4.522
  569    HA   LEU  79           HA       LEU  79   8.642  -8.475   3.373
  570   1HB   LEU  79          2HB       LEU  79   7.798  -8.768   6.242
  571   2HB   LEU  79          1HB       LEU  79   9.025  -7.692   5.607
  572    HG   LEU  79           HG       LEU  79   6.071  -7.557   5.094
  573   1HD1  LEU  79          1HD1      LEU  79   6.755  -6.634   7.259
  574   2HD1  LEU  79          2HD1      LEU  79   6.189  -5.380   6.171
  575   3HD1  LEU  79          3HD1      LEU  79   7.907  -5.570   6.449
  576   1HD2  LEU  79          1HD2      LEU  79   8.296  -5.930   3.876
  577   2HD2  LEU  79          2HD2      LEU  79   6.568  -5.580   3.737
  578   3HD2  LEU  79          3HD2      LEU  79   7.218  -7.067   3.056
  579    H    GLU  80           H        GLU  80   8.337 -11.621   3.940
  580    HA   GLU  80           HA       GLU  80  10.892 -11.738   5.191
  581   1HB   GLU  80          2HB       GLU  80   9.425 -13.317   6.067
  582   2HB   GLU  80          1HB       GLU  80   9.140 -14.089   4.495
  583   1HG   GLU  80          2HG       GLU  80  11.405 -14.826   4.428
  584   2HG   GLU  80          1HG       GLU  80  11.788 -13.863   5.857
  585    H    GLY  81           H        GLY  81  11.845 -10.713   3.799
  586   1HA   GLY  81          2HA       GLY  81  13.623 -12.323   2.461
  587   2HA   GLY  81          1HA       GLY  81  12.717 -11.357   1.259
  588    H    LEU  82           H        LEU  82  13.143 -10.375   4.509
  589    HA   LEU  82           HA       LEU  82  15.027  -8.258   3.953
  590   1HB   LEU  82          2HB       LEU  82  12.233  -7.896   5.070
  591   2HB   LEU  82          1HB       LEU  82  13.483  -6.715   5.284
  592    HG   LEU  82           HG       LEU  82  13.496  -6.470   2.743
  593   1HD1  LEU  82          1HD1      LEU  82  11.580  -7.139   1.609
  594   2HD1  LEU  82          2HD1      LEU  82  11.080  -8.097   3.078
  595   3HD1  LEU  82          3HD1      LEU  82  12.595  -8.462   2.226
  596   1HD2  LEU  82          1HD2      LEU  82  11.537  -5.115   2.665
  597   2HD2  LEU  82          2HD2      LEU  82  12.417  -4.834   4.171
  598   3HD2  LEU  82          3HD2      LEU  82  10.934  -5.810   4.170
  599    H    THR  83           H        THR  83  16.161  -7.869   5.741
  600    HA   THR  83           HA       THR  83  15.377  -9.313   8.154
  601    HB   THR  83           HB       THR  83  17.735  -9.054   8.856
  602    HG1  THR  83           1HG      THR  83  17.816  -7.578   6.438
  603   1HG2  THR  83          1HG2      THR  83  17.501  -9.875   6.009
  604   2HG2  THR  83          2HG2      THR  83  17.111 -10.907   7.400
  605   3HG2  THR  83          3HG2      THR  83  18.789 -10.377   7.118
  606    H    GLU  84           H        GLU  84  16.676  -7.660  10.004
  607    HA   GLU  84           HA       GLU  84  14.695  -5.764  10.377
  608   1HB   GLU  84          2HB       GLU  84  16.140  -6.719  12.128
  609   2HB   GLU  84          1HB       GLU  84  17.458  -5.711  11.568
  610   1HG   GLU  84          2HG       GLU  84  16.188  -3.700  12.072
  611   2HG   GLU  84          1HG       GLU  84  14.834  -4.680  12.628
  612    H    LYS  85           H        LYS  85  17.932  -5.349   8.967
  613    HA   LYS  85           HA       LYS  85  17.801  -2.553   8.665
  614   1HB   LYS  85          2HB       LYS  85  19.430  -2.914   6.787
  615   2HB   LYS  85          1HB       LYS  85  19.892  -3.532   8.371
  616   1HG   LYS  85          2HG       LYS  85  19.260  -5.730   7.749
  617   2HG   LYS  85          1HG       LYS  85  18.546  -5.148   6.309
  618   1HD   LYS  85          2HD       LYS  85  20.202  -4.865   5.206
  619   2HD   LYS  85          1HD       LYS  85  21.375  -4.338   6.472
  620   1HE   LYS  85          2HE       LYS  85  22.113  -6.460   5.463
  621   2HE   LYS  85          1HE       LYS  85  21.524  -6.821   7.070
  622   1HZ   LYS  85          1HZ       LYS  85  19.892  -7.093   4.629
  623   2HZ   LYS  85          2HZ       LYS  85  19.525  -7.665   6.179
  624   3HZ   LYS  85          3HZ       LYS  85  20.774  -8.376   5.293
  625    H    GLU  86           H        GLU  86  16.692  -5.161   6.293
  626    HA   GLU  86           HA       GLU  86  16.102  -3.278   4.336
  627   1HB   GLU  86          2HB       GLU  86  15.317  -6.078   4.909
  628   2HB   GLU  86          1HB       GLU  86  14.631  -5.151   3.604
  629   1HG   GLU  86          2HG       GLU  86  16.315  -6.552   2.662
  630   2HG   GLU  86          1HG       GLU  86  16.989  -4.930   2.746
  631    H    ILE  87           H        ILE  87  14.368  -4.816   6.971
  632    HA   ILE  87           HA       ILE  87  11.875  -3.737   6.337
  633    HB   ILE  87           HB       ILE  87  12.957  -4.459   9.071
  634   1HG1  ILE  87          2HG1      ILE  87  11.168  -6.001   7.185
  635   2HG1  ILE  87          1HG1      ILE  87  12.854  -6.356   7.496
  636   1HG2  ILE  87          1HG2      ILE  87  11.116  -2.914   9.189
  637   2HG2  ILE  87          2HG2      ILE  87  10.569  -4.539   9.698
  638   3HG2  ILE  87          3HG2      ILE  87  10.205  -3.923   8.066
  639   1HD1  ILE  87          1HD1      ILE  87  10.660  -6.388   9.540
  640   2HD1  ILE  87          2HD1      ILE  87  12.341  -6.796   9.840
  641   3HD1  ILE  87          3HD1      ILE  87  11.355  -7.826   8.780
  642    H    ASN  88           H        ASN  88  14.602  -2.508   8.266
  643    HA   ASN  88           HA       ASN  88  13.418  -0.251   9.407
  644   1HB   ASN  88          2HB       ASN  88  16.201  -0.620   8.365
  645   2HB   ASN  88          1HB       ASN  88  15.684   0.867   9.137
  646   1HD2  ASN  88          1HD2      ASN  88  14.004  -0.603  11.115
  647   2HD2  ASN  88          2HD2      ASN  88  15.109  -1.360  12.188
  648    H    THR  89           H        THR  89  14.546  -0.722   6.203
  649    HA   THR  89           HA       THR  89  14.499   1.943   5.356
  650    HB   THR  89           HB       THR  89  14.123  -0.620   3.818
  651    HG1  THR  89           1HG      THR  89  16.098  -0.880   4.523
  652   1HG2  THR  89          1HG2      THR  89  13.469   1.306   2.574
  653   2HG2  THR  89          2HG2      THR  89  15.007   0.679   1.946
  654   3HG2  THR  89          3HG2      THR  89  14.976   2.132   2.993
  655    H    LEU  90           H        LEU  90  12.086  -0.657   5.053
  656    HA   LEU  90           HA       LEU  90  10.039   0.969   3.891
  657   1HB   LEU  90          2HB       LEU  90   9.414  -1.033   3.398
  658   2HB   LEU  90          1HB       LEU  90  10.449  -1.792   4.548
  659    HG   LEU  90           HG       LEU  90   8.500  -1.030   6.186
  660   1HD1  LEU  90          1HD1      LEU  90   7.205   0.186   4.677
  661   2HD1  LEU  90          2HD1      LEU  90   6.308  -1.240   5.208
  662   3HD1  LEU  90          3HD1      LEU  90   7.061  -1.209   3.613
  663   1HD2  LEU  90          1HD2      LEU  90   7.483  -3.232   5.920
  664   2HD2  LEU  90          2HD2      LEU  90   9.262  -3.298   5.894
  665   3HD2  LEU  90          3HD2      LEU  90   8.342  -3.412   4.389
  666    H    ASN  91           H        ASN  91  10.819  -0.170   7.055
  667    HA   ASN  91           HA       ASN  91   8.686   0.585   8.617
  668   1HB   ASN  91          2HB       ASN  91  10.945  -0.593   9.155
  669   2HB   ASN  91          1HB       ASN  91  11.536   1.033   9.443
  670   1HD2  ASN  91          1HD2      ASN  91   9.612  -1.568  10.562
  671   2HD2  ASN  91          2HD2      ASN  91   9.277  -0.982  12.122
  672    H    ASP  92           H        ASP  92  11.311   2.499   7.300
  673    HA   ASP  92           HA       ASP  92  10.561   4.975   8.531
  674   1HB   ASP  92          2HB       ASP  92  12.864   4.537   7.807
  675   2HB   ASP  92          1HB       ASP  92  12.318   4.421   6.140
  676    H    TRP  93           H        TRP  93   9.994   3.427   5.435
  677    HA   TRP  93           HA       TRP  93   8.667   5.524   4.118
  678   1HB   TRP  93          2HB       TRP  93   8.826   2.616   3.831
  679   2HB   TRP  93          1HB       TRP  93   7.646   3.443   2.864
  680    HD1  TRP  93           HD       TRP  93  11.194   2.395   2.871
  681    HE1  TRP  93           1HE      TRP  93  12.511   3.498   0.978
  682    HE3  TRP  93           3HE      TRP  93   7.816   5.987   1.541
  683    HZ2  TRP  93           2HZ      TRP  93  12.173   5.627  -0.851
  684    HZ3  TRP  93           3HZ      TRP  93   8.390   7.521  -0.292
  685    HH2  TRP  93           HH       TRP  93  10.520   7.343  -1.464
  686    H    GLU  94           H        GLU  94   7.457   3.132   6.307
  687    HA   GLU  94           HA       GLU  94   4.723   3.493   5.985
  688   1HB   GLU  94          2HB       GLU  94   6.257   3.184   8.568
  689   2HB   GLU  94          1HB       GLU  94   4.531   2.916   8.371
  690   1HG   GLU  94          2HG       GLU  94   4.923   1.108   6.905
  691   2HG   GLU  94          1HG       GLU  94   6.666   1.345   6.934
  692    H    THR  95           H        THR  95   7.039   5.315   7.745
  693    HA   THR  95           HA       THR  95   5.329   7.198   9.026
  694    HB   THR  95           HB       THR  95   8.248   7.364   8.362
  695    HG1  THR  95           1HG      THR  95   8.498   6.173  10.264
  696   1HG2  THR  95          1HG2      THR  95   8.365   8.834  10.355
  697   2HG2  THR  95          2HG2      THR  95   6.616   8.697  10.537
  698   3HG2  THR  95          3HG2      THR  95   7.295   9.503   9.122
  699    H    LYS  96           H        LYS  96   6.821   7.047   5.924
  700    HA   LYS  96           HA       LYS  96   6.795   9.875   5.447
  701   1HB   LYS  96          2HB       LYS  96   7.309   7.553   3.582
  702   2HB   LYS  96          1HB       LYS  96   7.634   9.249   3.221
  703   1HG   LYS  96          2HG       LYS  96   8.860   7.747   5.504
  704   2HG   LYS  96          1HG       LYS  96   9.700   7.937   3.996
  705   1HD   LYS  96          2HD       LYS  96   9.573  10.420   4.318
  706   2HD   LYS  96          1HD       LYS  96   8.771  10.132   5.860
  707   1HE   LYS  96          2HE       LYS  96  10.735   8.930   6.667
  708   2HE   LYS  96          1HE       LYS  96  11.542   9.186   5.128
  709   1HZ   LYS  96          1HZ       LYS  96  12.260  10.769   6.804
  710   2HZ   LYS  96          2HZ       LYS  96  10.687  11.331   6.998
  711   3HZ   LYS  96          3HZ       LYS  96  11.490  11.560   5.525
  712    H    PHE  97           H        PHE  97   4.920   7.119   4.750
  713    HA   PHE  97           HA       PHE  97   2.952   8.569   3.276
  714   1HB   PHE  97          2HB       PHE  97   3.163   5.835   4.402
  715   2HB   PHE  97          1HB       PHE  97   1.655   6.390   3.724
  716    HD1  PHE  97           1HD      PHE  97   5.246   5.841   2.914
  717    HD2  PHE  97           2HD      PHE  97   1.298   6.277   1.398
  718    HE1  PHE  97           1HE      PHE  97   6.032   5.170   0.679
  719    HE2  PHE  97           2HE      PHE  97   2.077   5.615  -0.833
  720    HZ   PHE  97           HZ       PHE  97   4.449   5.057  -1.194
  721    H    GLU  98           H        GLU  98   3.298   7.233   6.523
  722    HA   GLU  98           HA       GLU  98   0.819   7.701   7.654
  723   1HB   GLU  98          2HB       GLU  98   3.489   7.127   8.482
  724   2HB   GLU  98          1HB       GLU  98   2.675   8.103   9.688
  725   1HG   GLU  98          2HG       GLU  98   1.591   5.542   8.532
  726   2HG   GLU  98          1HG       GLU  98   2.546   5.634  10.009
  727    H    ALA  99           H        ALA  99   3.273  10.106   7.011
  728    HA   ALA  99           HA       ALA  99   1.925  11.902   8.869
  729   1HB   ALA  99          1HB       ALA  99   4.508  12.275   7.357
  730   2HB   ALA  99          2HB       ALA  99   4.361  11.756   9.036
  731   3HB   ALA  99          3HB       ALA  99   3.844  13.375   8.564
  732    H    LYS 100           H        LYS 100   1.585  10.983   5.735
  733    HA   LYS 100           HA       LYS 100   0.775  13.672   4.949
  734   1HB   LYS 100          2HB       LYS 100   2.319  11.678   3.297
  735   2HB   LYS 100          1HB       LYS 100   1.369  12.944   2.565
  736   1HG   LYS 100          2HG       LYS 100   3.646  13.620   2.603
  737   2HG   LYS 100          1HG       LYS 100   2.755  14.621   3.742
  738   1HD   LYS 100          2HD       LYS 100   3.583  13.154   5.563
  739   2HD   LYS 100          1HD       LYS 100   4.560  12.290   4.376
  740   1HE   LYS 100          2HE       LYS 100   4.677  15.208   4.965
  741   2HE   LYS 100          1HE       LYS 100   5.835  14.027   5.606
  742   1HZ   LYS 100          1HZ       LYS 100   5.417  14.785   2.748
  743   2HZ   LYS 100          2HZ       LYS 100   6.472  13.576   3.256
  744   3HZ   LYS 100          3HZ       LYS 100   6.741  15.176   3.714
  745    H    TYR 101           H        TYR 101   0.313  10.208   4.390
  746    HA   TYR 101           HA       TYR 101  -2.295  10.758   3.222
  747   1HB   TYR 101          2HB       TYR 101  -0.540   8.305   3.163
  748   2HB   TYR 101          1HB       TYR 101  -2.118   8.452   2.411
  749    HD1  TYR 101           1HD      TYR 101  -2.397  10.098   0.516
  750    HD2  TYR 101           2HD      TYR 101   1.409   9.054   2.077
  751    HE1  TYR 101           1HE      TYR 101  -1.342  10.939  -1.525
  752    HE2  TYR 101           2HE      TYR 101   2.486   9.896   0.031
  753    HH   TYR 101           HH       TYR 101   1.900  10.306  -2.281
  754    HA   PRO 102           HA       PRO 102  -3.993   9.010   6.930
  755   1HB   PRO 102          2HB       PRO 102  -6.549   8.976   6.246
  756   2HB   PRO 102          1HB       PRO 102  -5.697  10.517   6.424
  757   1HG   PRO 102          2HG       PRO 102  -6.324   8.982   3.936
  758   2HG   PRO 102          1HG       PRO 102  -6.544  10.711   4.241
  759   1HD   PRO 102          2HD       PRO 102  -4.366   9.699   2.916
  760   2HD   PRO 102          1HD       PRO 102  -4.324  11.179   3.907
  761    H    VAL 103           H        VAL 103  -4.200   7.004   7.589
  762    HA   VAL 103           HA       VAL 103  -4.541   4.783   5.790
  763    HB   VAL 103           HB       VAL 103  -4.687   4.779   8.839
  764   1HG1  VAL 103          1HG1      VAL 103  -5.852   2.856   7.872
  765   2HG1  VAL 103          2HG1      VAL 103  -4.355   2.341   8.646
  766   3HG1  VAL 103          3HG1      VAL 103  -4.440   2.478   6.891
  767   1HG2  VAL 103          1HG2      VAL 103  -2.437   3.841   8.745
  768   2HG2  VAL 103          2HG2      VAL 103  -2.482   5.439   7.996
  769   3HG2  VAL 103          3HG2      VAL 103  -2.445   3.984   6.995
  770    H    VAL 104           H        VAL 104  -6.359   4.519   4.878
  771    HA   VAL 104           HA       VAL 104  -8.794   5.394   6.222
  772    HB   VAL 104           HB       VAL 104  -9.886   5.186   4.022
  773   1HG1  VAL 104          1HG1      VAL 104  -8.916   7.307   4.762
  774   2HG1  VAL 104          2HG1      VAL 104  -8.756   7.119   3.018
  775   3HG1  VAL 104          3HG1      VAL 104  -7.363   6.849   4.067
  776   1HG2  VAL 104          1HG2      VAL 104  -8.513   4.876   2.032
  777   2HG2  VAL 104          2HG2      VAL 104  -8.436   3.439   3.063
  778   3HG2  VAL 104          3HG2      VAL 104  -7.102   4.599   3.041
  779    H    GLY 105           H        GLY 105  -7.164   2.590   6.018
  780   1HA   GLY 105          2HA       GLY 105  -8.940   1.090   7.322
  781   2HA   GLY 105          1HA       GLY 105  -9.437   0.840   5.656
  782    H    ARG 106           H        ARG 106  -8.879  -1.239   5.488
  783    HA   ARG 106           HA       ARG 106  -6.033  -1.957   5.876
  784   1HB   ARG 106          2HB       ARG 106  -6.795  -4.187   6.510
  785   2HB   ARG 106          1HB       ARG 106  -7.159  -3.067   7.763
  786   1HG   ARG 106          2HG       ARG 106  -9.467  -2.992   7.077
  787   2HG   ARG 106          1HG       ARG 106  -9.058  -4.005   5.685
  788   1HD   ARG 106          2HD       ARG 106 -10.024  -5.313   7.478
  789   2HD   ARG 106          1HD       ARG 106  -8.347  -5.723   7.044
  790    HE   ARG 106           HE       ARG 106  -8.541  -3.890   9.236
  791   1HH1  ARG 106          1HH1      ARG 106  -8.646  -7.342   8.401
  792   2HH1  ARG 106          2HH1      ARG 106  -8.174  -7.853   9.958
  793   1HH2  ARG 106          1HH2      ARG 106  -7.899  -4.648  11.371
  794   2HH2  ARG 106          2HH2      ARG 106  -7.756  -6.326  11.648
  795    H    VAL 107           H        VAL 107  -5.363  -3.703   4.650
  796    HA   VAL 107           HA       VAL 107  -7.322  -4.620   2.747
  797    HB   VAL 107           HB       VAL 107  -5.392  -3.433   1.608
  798   1HG1  VAL 107          1HG1      VAL 107  -3.838  -5.752   2.642
  799   2HG1  VAL 107          2HG1      VAL 107  -3.624  -4.044   3.098
  800   3HG1  VAL 107          3HG1      VAL 107  -3.271  -4.584   1.441
  801   1HG2  VAL 107          1HG2      VAL 107  -6.739  -5.022   0.479
  802   2HG2  VAL 107          2HG2      VAL 107  -5.817  -6.327   1.184
  803   3HG2  VAL 107          3HG2      VAL 107  -5.047  -5.268  -0.037
  804    H    VAL 108           H        VAL 108  -7.678  -6.645   2.728
  805    HA   VAL 108           HA       VAL 108  -6.172  -8.313   4.567
  806    HB   VAL 108           HB       VAL 108  -8.336  -9.589   4.869
  807   1HG1  VAL 108          1HG1      VAL 108  -7.657  -7.687   6.312
  808   2HG1  VAL 108          2HG1      VAL 108  -9.458  -7.740   6.090
  809   3HG1  VAL 108          3HG1      VAL 108  -8.480  -6.642   5.146
  810   1HG2  VAL 108          1HG2      VAL 108 -10.375  -8.621   4.098
  811   2HG2  VAL 108          2HG2      VAL 108  -9.315  -8.798   2.649
  812   3HG2  VAL 108          3HG2      VAL 108  -9.454  -7.244   3.536
  813    H    SER 109           H        SER 109  -5.531 -10.310   3.809
  814    HA   SER 109           HA       SER 109  -6.024 -10.791   1.010
  815   1HB   SER 109          2HB       SER 109  -4.241  -9.189   1.054
  816   2HB   SER 109          1HB       SER 109  -3.390 -10.123   2.265
  817    HG   SER 109           HG       SER 109  -2.945 -11.667   0.769
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -18.850  -3.697  -2.988
    2   2H    MET   1          2HT       MET   1 -19.051  -5.053  -2.010
    3   3H    MET   1          3HT       MET   1 -17.941  -5.086  -3.295
    4    HA   MET   1           HA       MET   1 -16.887  -4.811  -1.121
    5   1HB   MET   1          2HB       MET   1 -16.647  -2.490  -3.051
    6   2HB   MET   1          1HB       MET   1 -15.545  -2.772  -1.716
    7   1HG   MET   1          2HG       MET   1 -14.579  -3.535  -3.780
    8   2HG   MET   1          1HG       MET   1 -14.894  -4.903  -2.718
    9   1HE   MET   1          1HE       MET   1 -14.553  -6.528  -4.730
   10   2HE   MET   1          2HE       MET   1 -14.237  -5.168  -5.815
   11   3HE   MET   1          3HE       MET   1 -15.410  -6.409  -6.263
   12    H    GLY   2           H        GLY   2 -16.562  -3.560   0.702
   13   1HA   GLY   2          2HA       GLY   2 -16.979  -1.720   2.086
   14   2HA   GLY   2          1HA       GLY   2 -18.355  -1.293   1.067
   15    H    HIS   3           H        HIS   3 -17.411  -2.690   3.928
   16    HA   HIS   3           HA       HIS   3 -19.755  -4.423   4.153
   17   1HB   HIS   3          2HB       HIS   3 -17.545  -3.825   6.160
   18   2HB   HIS   3          1HB       HIS   3 -18.789  -5.052   6.335
   19    HD1  HIS   3           1HD      HIS   3 -15.431  -4.465   5.041
   20    HD2  HIS   3           2HD      HIS   3 -18.425  -7.290   4.495
   21    HE1  HIS   3           1HE      HIS   3 -14.308  -6.450   3.976
   22    HE2  HIS   3           2HE      HIS   3 -16.238  -7.913   3.315
   23    H    HIS   4           H        HIS   4 -21.424  -3.866   5.602
   24    HA   HIS   4           HA       HIS   4 -21.339  -1.036   6.248
   25   1HB   HIS   4          2HB       HIS   4 -23.778  -1.098   6.712
   26   2HB   HIS   4          1HB       HIS   4 -23.402  -1.688   5.116
   27    HD1  HIS   4           1HD      HIS   4 -25.277  -2.483   8.121
   28    HD2  HIS   4           2HD      HIS   4 -23.669  -4.617   4.939
   29    HE1  HIS   4           1HE      HIS   4 -26.477  -4.660   8.104
   30    HE2  HIS   4           2HE      HIS   4 -25.690  -5.799   6.024
   31    H    HIS   5           H        HIS   5 -19.840  -2.995   7.635
   32    HA   HIS   5           HA       HIS   5 -20.457  -2.074  10.332
   33   1HB   HIS   5          2HB       HIS   5 -19.471  -4.859   9.620
   34   2HB   HIS   5          1HB       HIS   5 -19.477  -4.200  11.241
   35    HD1  HIS   5           1HD      HIS   5 -21.259  -6.483   9.342
   36    HD2  HIS   5           2HD      HIS   5 -22.416  -3.350  11.804
   37    HE1  HIS   5           1HE      HIS   5 -23.579  -7.021  10.053
   38    HE2  HIS   5           2HE      HIS   5 -24.047  -5.356  11.828
   39    H    HIS   6           H        HIS   6 -18.960  -0.446  10.130
   40    HA   HIS   6           HA       HIS   6 -16.290  -1.239  10.625
   41   1HB   HIS   6          2HB       HIS   6 -15.199   0.023   8.809
   42   2HB   HIS   6          1HB       HIS   6 -16.199  -1.249   8.149
   43    HD1  HIS   6           1HD      HIS   6 -17.332  -0.493   6.073
   44    HD2  HIS   6           2HD      HIS   6 -16.782   2.657   8.731
   45    HE1  HIS   6           1HE      HIS   6 -18.234   1.514   4.927
   46    HE2  HIS   6           2HE      HIS   6 -17.389   3.389   6.362
   47    H    HIS   7           H        HIS   7 -14.957   0.961  10.721
   48    HA   HIS   7           HA       HIS   7 -16.749   3.023  11.745
   49   1HB   HIS   7          2HB       HIS   7 -14.216   2.062  13.081
   50   2HB   HIS   7          1HB       HIS   7 -14.978   3.596  13.494
   51    HD1  HIS   7           1HD      HIS   7 -15.168  -0.037  14.138
   52    HD2  HIS   7           2HD      HIS   7 -17.599   3.289  14.652
   53    HE1  HIS   7           1HE      HIS   7 -16.971  -0.756  15.696
   54    HE2  HIS   7           2HE      HIS   7 -18.596   1.147  15.610
   55    H    HIS   8           H        HIS   8 -13.228   3.182  11.616
   56    HA   HIS   8           HA       HIS   8 -13.596   5.233   9.558
   57   1HB   HIS   8          2HB       HIS   8 -12.366   5.941  11.618
   58   2HB   HIS   8          1HB       HIS   8 -11.148   4.718  11.279
   59    HD1  HIS   8           1HD      HIS   8  -9.135   5.569   9.989
   60    HD2  HIS   8           2HD      HIS   8 -12.530   7.907   9.379
   61    HE1  HIS   8           1HE      HIS   8  -8.401   7.456   8.543
   62    HE2  HIS   8           2HE      HIS   8 -10.522   8.706   7.995
   63    H    LEU   9           H        LEU   9 -11.922   2.267  10.371
   64    HA   LEU   9           HA       LEU   9 -10.647   2.199   7.776
   65   1HB   LEU   9          2HB       LEU   9  -9.420   0.262   8.535
   66   2HB   LEU   9          1HB       LEU   9  -9.504   1.340   9.899
   67    HG   LEU   9           HG       LEU   9  -9.704  -0.824  10.730
   68   1HD1  LEU   9          1HD1      LEU   9 -11.916  -1.043  11.695
   69   2HD1  LEU   9          2HD1      LEU   9 -12.428   0.306  10.655
   70   3HD1  LEU   9          3HD1      LEU   9 -11.150   0.538  11.857
   71   1HD2  LEU   9          1HD2      LEU   9 -11.792  -1.464   8.635
   72   2HD2  LEU   9          2HD2      LEU   9 -11.329  -2.541   9.948
   73   3HD2  LEU   9          3HD2      LEU   9 -10.148  -2.091   8.718
   74    H    GLU  10           H        GLU  10 -11.015   0.477   6.306
   75    HA   GLU  10           HA       GLU  10 -13.303  -1.205   6.819
   76   1HB   GLU  10          2HB       GLU  10 -14.122   0.561   5.328
   77   2HB   GLU  10          1HB       GLU  10 -12.762   0.303   4.248
   78   1HG   GLU  10          2HG       GLU  10 -14.835  -0.648   3.417
   79   2HG   GLU  10          1HG       GLU  10 -13.593  -1.881   3.639
   80    H    GLU  11           H        GLU  11 -13.111  -3.236   5.772
   81    HA   GLU  11           HA       GLU  11 -10.407  -3.992   5.437
   82   1HB   GLU  11          2HB       GLU  11 -11.722  -5.481   6.694
   83   2HB   GLU  11          1HB       GLU  11 -12.963  -5.547   5.445
   84   1HG   GLU  11          2HG       GLU  11 -11.550  -6.622   3.964
   85   2HG   GLU  11          1HG       GLU  11 -10.131  -6.500   4.958
   86    H    PHE  12           H        PHE  12  -9.413  -4.009   3.649
   87    HA   PHE  12           HA       PHE  12 -10.885  -4.523   1.204
   88   1HB   PHE  12          2HB       PHE  12  -8.205  -3.211   1.646
   89   2HB   PHE  12          1HB       PHE  12  -8.992  -3.676   0.182
   90    HD1  PHE  12           1HD      PHE  12 -10.891  -2.341  -0.694
   91    HD2  PHE  12           2HD      PHE  12  -8.991  -1.277   2.957
   92    HE1  PHE  12           1HE      PHE  12 -12.009  -0.145  -0.749
   93    HE2  PHE  12           2HE      PHE  12 -10.110   0.910   2.913
   94    HZ   PHE  12           HZ       PHE  12 -11.625   1.477   1.053
   95    H    THR  13           H        THR  13 -10.307  -6.373   0.188
   96    HA   THR  13           HA       THR  13  -8.085  -7.818   1.379
   97    HB   THR  13           HB       THR  13  -9.951  -8.806  -0.793
   98    HG1  THR  13           1HG      THR  13 -10.545  -8.152   1.724
   99   1HG2  THR  13          1HG2      THR  13  -9.327 -10.995   0.125
  100   2HG2  THR  13          2HG2      THR  13  -8.306 -10.137   1.317
  101   3HG2  THR  13          3HG2      THR  13  -7.918 -10.045  -0.400
  102    H    ALA  14           H        ALA  14  -6.478  -8.705  -0.138
  103    HA   ALA  14           HA       ALA  14  -5.350  -6.532  -1.563
  104   1HB   ALA  14          1HB       ALA  14  -4.435  -9.401  -1.771
  105   2HB   ALA  14          2HB       ALA  14  -3.935  -8.244  -0.532
  106   3HB   ALA  14          3HB       ALA  14  -3.518  -7.967  -2.215
  107    H    GLU  15           H        GLU  15  -6.812  -9.457  -2.838
  108    HA   GLU  15           HA       GLU  15  -6.437  -8.921  -5.547
  109   1HB   GLU  15          2HB       GLU  15  -8.394 -10.443  -5.897
  110   2HB   GLU  15          1HB       GLU  15  -7.149 -11.098  -4.845
  111   1HG   GLU  15          2HG       GLU  15  -8.518 -10.503  -2.890
  112   2HG   GLU  15          1HG       GLU  15  -9.757  -9.876  -3.973
  113    H    GLN  16           H        GLN  16  -8.878  -7.835  -3.371
  114    HA   GLN  16           HA       GLN  16 -10.533  -6.564  -5.291
  115   1HB   GLN  16          2HB       GLN  16 -10.385  -6.657  -2.339
  116   2HB   GLN  16          1HB       GLN  16 -11.490  -5.536  -3.110
  117   1HG   GLN  16          2HG       GLN  16 -12.776  -7.227  -4.002
  118   2HG   GLN  16          1HG       GLN  16 -11.472  -8.412  -3.893
  119   1HE2  GLN  16          1HE2      GLN  16 -11.108  -9.407  -2.117
  120   2HE2  GLN  16          2HE2      GLN  16 -12.054  -9.378  -0.697
  121    H    LEU  17           H        LEU  17  -7.883  -5.667  -3.256
  122    HA   LEU  17           HA       LEU  17  -8.160  -2.877  -3.251
  123   1HB   LEU  17          2HB       LEU  17  -6.725  -4.500  -1.795
  124   2HB   LEU  17          1HB       LEU  17  -5.530  -4.344  -3.049
  125    HG   LEU  17           HG       LEU  17  -4.885  -2.900  -1.269
  126   1HD1  LEU  17          1HD1      LEU  17  -4.927  -0.698  -2.090
  127   2HD1  LEU  17          2HD1      LEU  17  -6.061  -1.197  -3.356
  128   3HD1  LEU  17          3HD1      LEU  17  -4.423  -1.899  -3.281
  129   1HD2  LEU  17          1HD2      LEU  17  -6.944  -2.779  -0.092
  130   2HD2  LEU  17          2HD2      LEU  17  -7.617  -1.736  -1.366
  131   3HD2  LEU  17          3HD2      LEU  17  -6.276  -1.166  -0.367
  132    H    SER  18           H        SER  18  -6.703  -5.223  -5.395
  133    HA   SER  18           HA       SER  18  -4.982  -3.620  -6.860
  134   1HB   SER  18          2HB       SER  18  -6.346  -6.181  -7.612
  135   2HB   SER  18          1HB       SER  18  -4.977  -5.471  -8.475
  136    HG   SER  18           HG       SER  18  -4.247  -5.434  -6.018
  137    H    GLN  19           H        GLN  19  -8.266  -3.289  -6.898
  138    HA   GLN  19           HA       GLN  19  -8.309  -2.432  -9.685
  139   1HB   GLN  19          2HB       GLN  19 -10.568  -2.578  -7.679
  140   2HB   GLN  19          1HB       GLN  19 -10.737  -2.093  -9.358
  141   1HG   GLN  19          2HG       GLN  19  -9.886  -4.342 -10.024
  142   2HG   GLN  19          1HG       GLN  19  -9.926  -4.793  -8.324
  143   1HE2  GLN  19          1HE2      GLN  19 -11.904  -5.069  -7.316
  144   2HE2  GLN  19          2HE2      GLN  19 -13.369  -5.261  -8.203
  145    H    TYR  20           H        TYR  20  -7.562  -1.185  -6.708
  146    HA   TYR  20           HA       TYR  20  -8.517   1.536  -7.250
  147   1HB   TYR  20          2HB       TYR  20  -7.123   0.387  -4.829
  148   2HB   TYR  20          1HB       TYR  20  -7.807   1.998  -4.971
  149    HD1  TYR  20           1HD      TYR  20 -10.434   1.871  -5.791
  150    HD2  TYR  20           2HD      TYR  20  -8.294  -1.051  -3.620
  151    HE1  TYR  20           1HE      TYR  20 -12.558   1.007  -4.894
  152    HE2  TYR  20           2HE      TYR  20 -10.393  -1.946  -2.711
  153    HH   TYR  20           HH       TYR  20 -12.643  -1.170  -2.284
  154    H    ASN  21           H        ASN  21  -6.443   0.277  -8.770
  155    HA   ASN  21           HA       ASN  21  -3.918   1.284  -7.896
  156   1HB   ASN  21          2HB       ASN  21  -3.081   0.502 -10.112
  157   2HB   ASN  21          1HB       ASN  21  -3.892  -0.725  -9.173
  158   1HD2  ASN  21          1HD2      ASN  21  -4.227  -1.914 -11.104
  159   2HD2  ASN  21          2HD2      ASN  21  -5.509  -1.448 -12.193
  160    H    GLY  22           H        GLY  22  -6.510   2.629  -9.632
  161   1HA   GLY  22          2HA       GLY  22  -6.778   4.904 -10.218
  162   2HA   GLY  22          1HA       GLY  22  -5.052   5.122  -9.913
  163    H    THR  23           H        THR  23  -5.422   2.466 -11.721
  164    HA   THR  23           HA       THR  23  -4.537   3.845 -14.114
  165    HB   THR  23           HB       THR  23  -4.439   0.952 -13.258
  166    HG1  THR  23           1HG      THR  23  -2.808   3.133 -12.767
  167   1HG2  THR  23          1HG2      THR  23  -2.804   0.717 -15.055
  168   2HG2  THR  23          2HG2      THR  23  -3.076   2.413 -15.504
  169   3HG2  THR  23          3HG2      THR  23  -4.383   1.231 -15.655
  170    H    ASP  24           H        ASP  24  -6.856   1.579 -12.788
  171    HA   ASP  24           HA       ASP  24  -8.169   1.224 -15.350
  172   1HB   ASP  24          2HB       ASP  24  -8.867   0.073 -12.663
  173   2HB   ASP  24          1HB       ASP  24  -9.658  -0.243 -14.150
  174    H    GLU  25           H        GLU  25  -9.522   2.765 -15.947
  175    HA   GLU  25           HA       GLU  25 -11.450   4.005 -16.057
  176   1HB   GLU  25          2HB       GLU  25 -12.231   2.418 -13.615
  177   2HB   GLU  25          1HB       GLU  25 -13.312   3.278 -14.697
  178   1HG   GLU  25          2HG       GLU  25 -12.832   1.764 -16.475
  179   2HG   GLU  25          1HG       GLU  25 -11.570   0.980 -15.525
  180    H    SER  26           H        SER  26  -9.196   4.898 -14.286
  181    HA   SER  26           HA       SER  26  -8.604   6.397 -12.739
  182   1HB   SER  26          2HB       SER  26  -9.889   8.549 -12.692
  183   2HB   SER  26          1HB       SER  26  -9.580   7.990 -14.329
  184    HG   SER  26           HG       SER  26 -11.852   6.952 -13.771
  185    H    LYS  27           H        LYS  27 -10.193   4.126 -11.766
  186    HA   LYS  27           HA       LYS  27 -11.940   4.976  -9.736
  187   1HB   LYS  27          2HB       LYS  27 -10.364   2.370  -9.864
  188   2HB   LYS  27          1HB       LYS  27 -11.685   2.668  -8.759
  189   1HG   LYS  27          2HG       LYS  27 -13.070   3.143 -10.943
  190   2HG   LYS  27          1HG       LYS  27 -11.714   2.390 -11.696
  191   1HD   LYS  27          2HD       LYS  27 -13.213   1.004  -9.487
  192   2HD   LYS  27          1HD       LYS  27 -13.677   0.857 -11.176
  193   1HE   LYS  27          2HE       LYS  27 -10.994   0.127 -10.020
  194   2HE   LYS  27          1HE       LYS  27 -12.289  -1.006 -10.418
  195   1HZ   LYS  27          1HZ       LYS  27 -12.141  -0.258 -12.737
  196   2HZ   LYS  27          2HZ       LYS  27 -10.717  -0.949 -12.187
  197   3HZ   LYS  27          3HZ       LYS  27 -10.838   0.740 -12.321
  198    HA   PRO  28           HA       PRO  28  -9.786   6.788  -6.425
  199   1HB   PRO  28          2HB       PRO  28 -10.454   4.959  -4.355
  200   2HB   PRO  28          1HB       PRO  28 -11.273   6.468  -4.750
  201   1HG   PRO  28          2HG       PRO  28 -11.983   3.689  -5.501
  202   2HG   PRO  28          1HG       PRO  28 -13.022   5.103  -5.252
  203   1HD   PRO  28          2HD       PRO  28 -12.495   4.118  -7.689
  204   2HD   PRO  28          1HD       PRO  28 -12.709   5.849  -7.461
  205    H    ILE  29           H        ILE  29  -7.782   6.753  -5.748
  206    HA   ILE  29           HA       ILE  29  -6.230   4.363  -6.356
  207    HB   ILE  29           HB       ILE  29  -5.167   7.088  -5.601
  208   1HG1  ILE  29          2HG1      ILE  29  -5.748   6.061  -8.391
  209   2HG1  ILE  29          1HG1      ILE  29  -6.707   7.272  -7.584
  210   1HG2  ILE  29          1HG2      ILE  29  -4.025   4.787  -7.210
  211   2HG2  ILE  29          2HG2      ILE  29  -3.598   5.176  -5.551
  212   3HG2  ILE  29          3HG2      ILE  29  -3.193   6.301  -6.852
  213   1HD1  ILE  29          1HD1      ILE  29  -3.820   7.545  -8.165
  214   2HD1  ILE  29          2HD1      ILE  29  -4.899   8.770  -7.486
  215   3HD1  ILE  29          3HD1      ILE  29  -5.136   8.192  -9.149
  216    H    TYR  30           H        TYR  30  -5.600   3.072  -4.749
  217    HA   TYR  30           HA       TYR  30  -4.926   4.206  -2.106
  218   1HB   TYR  30          2HB       TYR  30  -6.556   1.686  -2.509
  219   2HB   TYR  30          1HB       TYR  30  -5.967   2.317  -0.986
  220    HD1  TYR  30           1HD      TYR  30  -8.748   2.065  -3.075
  221    HD2  TYR  30           2HD      TYR  30  -6.820   4.779  -0.456
  222    HE1  TYR  30           1HE      TYR  30 -10.862   3.267  -2.792
  223    HE2  TYR  30           2HE      TYR  30  -8.940   6.004  -0.160
  224    HH   TYR  30           HH       TYR  30 -11.015   6.318  -1.472
  225    H    VAL  31           H        VAL  31  -3.249   3.477  -1.223
  226    HA   VAL  31           HA       VAL  31  -1.922   1.128  -2.401
  227    HB   VAL  31           HB       VAL  31   0.151   1.933  -1.393
  228   1HG1  VAL  31          1HG1      VAL  31  -0.174   2.565  -3.694
  229   2HG1  VAL  31          2HG1      VAL  31   0.727   3.761  -2.798
  230   3HG1  VAL  31          3HG1      VAL  31  -0.979   4.072  -3.194
  231   1HG2  VAL  31          1HG2      VAL  31  -0.718   3.137   0.424
  232   2HG2  VAL  31          2HG2      VAL  31  -1.393   4.365  -0.667
  233   3HG2  VAL  31          3HG2      VAL  31   0.371   4.177  -0.510
  234    H    ALA  32           H        ALA  32  -0.803  -0.182  -0.737
  235    HA   ALA  32           HA       ALA  32  -1.915   0.291   1.902
  236   1HB   ALA  32          1HB       ALA  32  -3.185  -1.489   0.829
  237   2HB   ALA  32          2HB       ALA  32  -2.241  -2.103   2.186
  238   3HB   ALA  32          3HB       ALA  32  -1.702  -2.388   0.533
  239    H    ILE  33           H        ILE  33  -0.561  -0.074   3.556
  240    HA   ILE  33           HA       ILE  33   2.117  -1.074   2.894
  241    HB   ILE  33           HB       ILE  33   1.517   1.238   4.752
  242   1HG1  ILE  33          2HG1      ILE  33   2.799   1.171   2.023
  243   2HG1  ILE  33          1HG1      ILE  33   1.364   2.033   2.520
  244   1HG2  ILE  33          1HG2      ILE  33   3.982   1.484   4.917
  245   2HG2  ILE  33          2HG2      ILE  33   4.164  -0.048   4.099
  246   3HG2  ILE  33          3HG2      ILE  33   3.358   0.020   5.675
  247   1HD1  ILE  33          1HD1      ILE  33   4.112   2.560   3.538
  248   2HD1  ILE  33          2HD1      ILE  33   2.664   3.475   3.970
  249   3HD1  ILE  33          3HD1      ILE  33   3.299   3.531   2.310
  250    H    LYS  34           H        LYS  34   2.192  -2.919   3.858
  251    HA   LYS  34           HA       LYS  34   2.449  -4.472   5.493
  252   1HB   LYS  34          2HB       LYS  34   3.298  -2.111   6.642
  253   2HB   LYS  34          1HB       LYS  34   2.044  -2.617   7.762
  254   1HG   LYS  34          2HG       LYS  34   4.497  -4.195   6.978
  255   2HG   LYS  34          1HG       LYS  34   4.221  -3.378   8.510
  256   1HD   LYS  34          2HD       LYS  34   2.360  -4.879   8.971
  257   2HD   LYS  34          1HD       LYS  34   2.609  -5.685   7.423
  258   1HE   LYS  34          2HE       LYS  34   4.873  -6.317   8.154
  259   2HE   LYS  34          1HE       LYS  34   4.562  -5.558   9.714
  260   1HZ   LYS  34          1HZ       LYS  34   4.231  -7.911   9.819
  261   2HZ   LYS  34          2HZ       LYS  34   3.077  -7.882   8.595
  262   3HZ   LYS  34          3HZ       LYS  34   2.771  -7.143  10.085
  263    H    GLY  35           H        GLY  35  -0.147  -3.655   4.420
  264   1HA   GLY  35          2HA       GLY  35  -2.160  -4.716   4.726
  265   2HA   GLY  35          1HA       GLY  35  -1.861  -4.958   6.399
  266    H    ARG  36           H        ARG  36  -1.163  -1.710   5.553
  267    HA   ARG  36           HA       ARG  36  -3.855  -0.980   6.443
  268   1HB   ARG  36          2HB       ARG  36  -1.349   0.671   6.723
  269   2HB   ARG  36          1HB       ARG  36  -2.914   0.963   7.472
  270   1HG   ARG  36          2HG       ARG  36  -2.577  -1.253   8.678
  271   2HG   ARG  36          1HG       ARG  36  -0.911  -1.166   8.096
  272   1HD   ARG  36          2HD       ARG  36  -2.333   0.834   9.828
  273   2HD   ARG  36          1HD       ARG  36  -1.084  -0.298  10.336
  274    HE   ARG  36           HE       ARG  36   0.356   1.001   8.646
  275   1HH1  ARG  36          1HH1      ARG  36  -2.175   2.394  10.697
  276   2HH1  ARG  36          2HH1      ARG  36  -1.514   3.957  10.694
  277   1HH2  ARG  36          1HH2      ARG  36   1.251   3.087   8.675
  278   2HH2  ARG  36          2HH2      ARG  36   0.471   4.396   9.480
  279    H    VAL  37           H        VAL  37  -5.012   0.245   5.116
  280    HA   VAL  37           HA       VAL  37  -3.836   0.845   2.527
  281    HB   VAL  37           HB       VAL  37  -6.726   0.820   3.445
  282   1HG1  VAL  37          1HG1      VAL  37  -7.310   1.042   1.091
  283   2HG1  VAL  37          2HG1      VAL  37  -5.601   1.219   0.677
  284   3HG1  VAL  37          3HG1      VAL  37  -6.411   2.464   1.639
  285   1HG2  VAL  37          1HG2      VAL  37  -5.702  -1.359   3.300
  286   2HG2  VAL  37          2HG2      VAL  37  -5.154  -1.008   1.660
  287   3HG2  VAL  37          3HG2      VAL  37  -6.879  -1.140   2.005
  288    H    PHE  38           H        PHE  38  -3.307   2.758   1.917
  289    HA   PHE  38           HA       PHE  38  -4.137   5.097   3.503
  290   1HB   PHE  38          2HB       PHE  38  -1.714   4.574   1.836
  291   2HB   PHE  38          1HB       PHE  38  -2.098   6.166   2.476
  292    HD1  PHE  38           1HD      PHE  38  -1.398   6.745   4.631
  293    HD2  PHE  38           2HD      PHE  38  -1.271   2.671   3.435
  294    HE1  PHE  38           1HE      PHE  38  -0.129   6.190   6.659
  295    HE2  PHE  38           2HE      PHE  38  -0.011   2.116   5.467
  296    HZ   PHE  38           HZ       PHE  38   0.566   3.873   7.073
  297    H    ASP  39           H        ASP  39  -4.948   6.817   2.451
  298    HA   ASP  39           HA       ASP  39  -5.817   6.443  -0.305
  299   1HB   ASP  39          2HB       ASP  39  -7.363   7.486   1.334
  300   2HB   ASP  39          1HB       ASP  39  -6.211   8.806   1.537
  301    H    VAL  40           H        VAL  40  -4.733   7.145  -1.972
  302    HA   VAL  40           HA       VAL  40  -2.749   9.236  -1.487
  303    HB   VAL  40           HB       VAL  40  -1.360   8.221  -3.338
  304   1HG1  VAL  40          1HG1      VAL  40  -1.822   6.519  -0.896
  305   2HG1  VAL  40          2HG1      VAL  40  -0.750   7.923  -1.018
  306   3HG1  VAL  40          3HG1      VAL  40  -0.402   6.467  -1.945
  307   1HG2  VAL  40          1HG2      VAL  40  -3.190   5.869  -2.911
  308   2HG2  VAL  40          2HG2      VAL  40  -1.725   5.892  -3.905
  309   3HG2  VAL  40          3HG2      VAL  40  -3.115   6.879  -4.351
  310    H    THR  41           H        THR  41  -5.556   9.403  -2.463
  311    HA   THR  41           HA       THR  41  -5.338  10.090  -5.231
  312    HB   THR  41           HB       THR  41  -7.601  11.150  -4.939
  313    HG1  THR  41           1HG      THR  41  -7.376  10.267  -2.208
  314   1HG2  THR  41          1HG2      THR  41  -8.803   9.068  -4.450
  315   2HG2  THR  41          2HG2      THR  41  -7.324   8.371  -3.784
  316   3HG2  THR  41          3HG2      THR  41  -7.414   8.779  -5.498
  317    H    THR  42           H        THR  42  -4.929  11.721  -2.251
  318    HA   THR  42           HA       THR  42  -4.780  14.365  -3.235
  319    HB   THR  42           HB       THR  42  -5.165  14.031  -0.865
  320    HG1  THR  42           1HG      THR  42  -3.559  15.767  -1.714
  321   1HG2  THR  42          1HG2      THR  42  -3.991  11.915  -0.542
  322   2HG2  THR  42          2HG2      THR  42  -3.449  13.096   0.647
  323   3HG2  THR  42          3HG2      THR  42  -2.442  12.726  -0.754
  324    H    GLY  43           H        GLY  43  -2.625  11.702  -3.368
  325   1HA   GLY  43          2HA       GLY  43  -0.480  13.455  -4.364
  326   2HA   GLY  43          1HA       GLY  43  -0.192  11.920  -3.563
  327    H    LYS  44           H        LYS  44  -2.651  12.665  -5.957
  328    HA   LYS  44           HA       LYS  44  -2.387  10.240  -7.331
  329   1HB   LYS  44          2HB       LYS  44  -4.372  11.766  -7.456
  330   2HB   LYS  44          1HB       LYS  44  -3.429  12.820  -8.503
  331   1HG   LYS  44          2HG       LYS  44  -3.146  10.794 -10.044
  332   2HG   LYS  44          1HG       LYS  44  -4.319  10.026  -9.022
  333   1HD   LYS  44          2HD       LYS  44  -5.947  11.783  -9.494
  334   2HD   LYS  44          1HD       LYS  44  -4.724  12.543 -10.526
  335   1HE   LYS  44          2HE       LYS  44  -4.651  10.594 -11.969
  336   2HE   LYS  44          1HE       LYS  44  -5.810   9.775 -10.927
  337   1HZ   LYS  44          1HZ       LYS  44  -6.350  12.218 -12.525
  338   2HZ   LYS  44          2HZ       LYS  44  -7.453  11.435 -11.517
  339   3HZ   LYS  44          3HZ       LYS  44  -6.864  10.647 -12.887
  340    H    SER  45           H        SER  45  -0.917  13.350  -7.855
  341    HA   SER  45           HA       SER  45   0.187  13.051 -10.378
  342   1HB   SER  45          2HB       SER  45   1.279  14.594  -8.026
  343   2HB   SER  45          1HB       SER  45   1.687  14.858  -9.722
  344    HG   SER  45           HG       SER  45  -0.281  15.575 -10.134
  345    H    PHE  46           H        PHE  46   1.103  11.513  -7.452
  346    HA   PHE  46           HA       PHE  46   3.721  10.737  -8.551
  347   1HB   PHE  46          2HB       PHE  46   2.553  10.253  -5.806
  348   2HB   PHE  46          1HB       PHE  46   4.211   9.948  -6.302
  349    HD1  PHE  46           1HD      PHE  46   5.636  11.952  -6.936
  350    HD2  PHE  46           2HD      PHE  46   1.898  12.322  -4.953
  351    HE1  PHE  46           1HE      PHE  46   6.254  14.222  -6.210
  352    HE2  PHE  46           2HE      PHE  46   2.502  14.591  -4.221
  353    HZ   PHE  46           HZ       PHE  46   4.680  15.545  -4.849
  354    H    TYR  47           H        TYR  47   0.682   9.480  -7.295
  355    HA   TYR  47           HA       TYR  47   1.555   6.794  -7.901
  356   1HB   TYR  47          2HB       TYR  47  -0.866   7.772  -6.390
  357   2HB   TYR  47          1HB       TYR  47  -0.424   6.067  -6.583
  358    HD1  TYR  47           1HD      TYR  47   0.451   9.247  -4.977
  359    HD2  TYR  47           2HD      TYR  47   1.499   5.151  -5.382
  360    HE1  TYR  47           1HE      TYR  47   1.991   9.469  -3.088
  361    HE2  TYR  47           2HE      TYR  47   3.051   5.364  -3.479
  362    HH   TYR  47           HH       TYR  47   3.072   8.074  -1.430
  363    H    GLY  48           H        GLY  48  -1.691   8.338  -8.458
  364   1HA   GLY  48          2HA       GLY  48  -2.118   6.418 -10.626
  365   2HA   GLY  48          1HA       GLY  48  -3.286   7.493  -9.958
  366    H    SER  49           H        SER  49  -0.176   8.367 -11.124
  367    HA   SER  49           HA       SER  49  -0.953   9.408 -13.625
  368   1HB   SER  49          2HB       SER  49  -2.168  11.044 -12.306
  369   2HB   SER  49          1HB       SER  49  -0.721  11.444 -11.389
  370    HG   SER  49           HG       SER  49   0.161  11.938 -13.605
  371    H    GLY  50           H        GLY  50   1.190   9.357 -10.886
  372   1HA   GLY  50          2HA       GLY  50   3.429  10.494 -12.215
  373   2HA   GLY  50          1HA       GLY  50   3.449   9.609 -10.698
  374    H    GLY  51           H        GLY  51   2.014   7.385 -12.221
  375   1HA   GLY  51          2HA       GLY  51   2.581   5.512 -13.470
  376   2HA   GLY  51          1HA       GLY  51   3.921   6.425 -14.150
  377    H    ASP  52           H        ASP  52   5.449   6.891 -12.146
  378    HA   ASP  52           HA       ASP  52   6.875   4.510 -11.775
  379   1HB   ASP  52          2HB       ASP  52   7.824   6.653 -11.907
  380   2HB   ASP  52          1HB       ASP  52   6.975   7.167 -10.462
  381    H    TYR  53           H        TYR  53   4.838   6.358  -9.523
  382    HA   TYR  53           HA       TYR  53   5.211   4.269  -7.539
  383   1HB   TYR  53          2HB       TYR  53   3.950   6.997  -7.332
  384   2HB   TYR  53          1HB       TYR  53   3.893   5.821  -6.030
  385    HD1  TYR  53           1HD      TYR  53   5.836   8.397  -7.627
  386    HD2  TYR  53           2HD      TYR  53   6.080   5.032  -5.041
  387    HE1  TYR  53           1HE      TYR  53   8.012   9.199  -6.790
  388    HE2  TYR  53           2HE      TYR  53   8.248   5.813  -4.204
  389    HH   TYR  53           HH       TYR  53   9.377   8.936  -4.773
  390    H    SER  54           H        SER  54   3.423   4.353 -10.064
  391    HA   SER  54           HA       SER  54   0.758   4.020  -9.072
  392   1HB   SER  54          2HB       SER  54   1.313   4.807 -11.387
  393   2HB   SER  54          1HB       SER  54   1.978   3.199 -11.695
  394    HG   SER  54           HG       SER  54  -0.637   4.061 -11.645
  395    H    MET  55           H        MET  55   3.533   2.092  -9.254
  396    HA   MET  55           HA       MET  55   2.396  -0.515  -9.634
  397   1HB   MET  55          2HB       MET  55   4.911  -0.017  -8.074
  398   2HB   MET  55          1HB       MET  55   4.514  -1.372  -9.109
  399   1HG   MET  55          2HG       MET  55   5.365   1.380  -9.854
  400   2HG   MET  55          1HG       MET  55   6.188  -0.105 -10.148
  401   1HE   MET  55          1HE       MET  55   5.383   0.931 -13.809
  402   2HE   MET  55          2HE       MET  55   6.634   0.466 -12.655
  403   3HE   MET  55          3HE       MET  55   5.790   1.999 -12.467
  404    H    PHE  56           H        PHE  56   2.802   1.656  -7.047
  405    HA   PHE  56           HA       PHE  56   2.630  -0.211  -4.873
  406   1HB   PHE  56          2HB       PHE  56   2.492   2.811  -4.981
  407   2HB   PHE  56          1HB       PHE  56   2.562   1.865  -3.503
  408    HD1  PHE  56           1HD      PHE  56   4.475   2.505  -6.653
  409    HD2  PHE  56           2HD      PHE  56   4.617   1.429  -2.549
  410    HE1  PHE  56           1HE      PHE  56   6.930   2.624  -6.716
  411    HE2  PHE  56           2HE      PHE  56   7.049   1.535  -2.592
  412    HZ   PHE  56           HZ       PHE  56   8.233   2.133  -4.683
  413    H    ALA  57           H        ALA  57   0.487   1.517  -6.900
  414    HA   ALA  57           HA       ALA  57  -1.625   1.704  -4.964
  415   1HB   ALA  57          1HB       ALA  57  -1.284   3.467  -6.624
  416   2HB   ALA  57          2HB       ALA  57  -2.889   2.751  -6.728
  417   3HB   ALA  57          3HB       ALA  57  -1.650   2.315  -7.912
  418    H    GLY  58           H        GLY  58  -3.264   0.415  -4.734
  419   1HA   GLY  58          2HA       GLY  58  -4.737  -1.284  -5.120
  420   2HA   GLY  58          1HA       GLY  58  -4.086  -1.576  -6.671
  421    H    LYS  59           H        LYS  59  -1.738  -1.448  -4.172
  422    HA   LYS  59           HA       LYS  59  -1.806  -4.320  -3.797
  423   1HB   LYS  59          2HB       LYS  59  -0.487  -3.939  -5.869
  424   2HB   LYS  59          1HB       LYS  59   0.519  -2.805  -5.008
  425   1HG   LYS  59          2HG       LYS  59   1.677  -4.921  -5.307
  426   2HG   LYS  59          1HG       LYS  59   1.374  -4.615  -3.598
  427   1HD   LYS  59          2HD       LYS  59   1.024  -6.935  -4.218
  428   2HD   LYS  59          1HD       LYS  59  -0.455  -6.202  -3.623
  429   1HE   LYS  59          2HE       LYS  59  -0.885  -7.607  -5.593
  430   2HE   LYS  59          1HE       LYS  59  -1.210  -5.921  -5.982
  431   1HZ   LYS  59          1HZ       LYS  59   1.274  -7.408  -6.665
  432   2HZ   LYS  59          2HZ       LYS  59   0.930  -5.809  -7.142
  433   3HZ   LYS  59          3HZ       LYS  59   0.017  -7.077  -7.725
  434    H    ASP  60           H        ASP  60  -0.448  -4.879  -1.959
  435    HA   ASP  60           HA       ASP  60   0.079  -2.594  -0.266
  436   1HB   ASP  60          2HB       ASP  60  -0.873  -4.762   0.670
  437   2HB   ASP  60          1HB       ASP  60   0.683  -5.497   0.279
  438    H    ALA  61           H        ALA  61   2.005  -1.832   0.018
  439    HA   ALA  61           HA       ALA  61   4.045  -2.931  -1.784
  440   1HB   ALA  61          1HB       ALA  61   4.850  -0.660  -1.995
  441   2HB   ALA  61          2HB       ALA  61   3.607  -0.111  -0.871
  442   3HB   ALA  61          3HB       ALA  61   3.148  -0.790  -2.432
  443    H    SER  62           H        SER  62   3.566  -3.555   1.188
  444    HA   SER  62           HA       SER  62   5.359  -2.234   2.806
  445   1HB   SER  62          2HB       SER  62   3.615  -3.904   3.517
  446   2HB   SER  62          1HB       SER  62   4.677  -5.180   2.940
  447    HG   SER  62           HG       SER  62   5.928  -3.450   4.620
  448    H    ARG  63           H        ARG  63   5.962  -5.059   0.742
  449    HA   ARG  63           HA       ARG  63   8.722  -5.264   1.473
  450   1HB   ARG  63          2HB       ARG  63   7.509  -7.209   0.723
  451   2HB   ARG  63          1HB       ARG  63   7.133  -6.434  -0.801
  452   1HG   ARG  63          2HG       ARG  63   9.498  -6.530  -1.432
  453   2HG   ARG  63          1HG       ARG  63   9.877  -7.304   0.111
  454   1HD   ARG  63          2HD       ARG  63   8.503  -9.187  -0.415
  455   2HD   ARG  63          1HD       ARG  63   7.882  -8.383  -1.850
  456    HE   ARG  63           HE       ARG  63  10.733  -9.087  -1.655
  457   1HH1  ARG  63          1HH1      ARG  63   7.594  -9.374  -3.230
  458   2HH1  ARG  63          2HH1      ARG  63   8.180 -10.207  -4.593
  459   1HH2  ARG  63          1HH2      ARG  63  11.531 -10.294  -3.554
  460   2HH2  ARG  63          2HH2      ARG  63  10.415 -10.735  -4.778
  461    H    ALA  64           H        ALA  64   6.956  -3.509  -0.942
  462    HA   ALA  64           HA       ALA  64   9.139  -3.153  -2.795
  463   1HB   ALA  64          1HB       ALA  64   6.435  -1.834  -2.617
  464   2HB   ALA  64          2HB       ALA  64   6.928  -3.147  -3.716
  465   3HB   ALA  64          3HB       ALA  64   7.605  -1.547  -3.893
  466    H    LEU  65           H        LEU  65   7.604  -1.434  -0.269
  467    HA   LEU  65           HA       LEU  65   8.879   1.052  -0.495
  468   1HB   LEU  65          2HB       LEU  65   7.857  -0.540   1.783
  469   2HB   LEU  65          1HB       LEU  65   8.365   1.125   1.966
  470    HG   LEU  65           HG       LEU  65   6.034   0.129   0.291
  471   1HD1  LEU  65          1HD1      LEU  65   4.696   1.115   1.982
  472   2HD1  LEU  65          2HD1      LEU  65   6.117   1.496   2.954
  473   3HD1  LEU  65          3HD1      LEU  65   5.668  -0.195   2.641
  474   1HD2  LEU  65          1HD2      LEU  65   5.339   2.389   0.190
  475   2HD2  LEU  65          2HD2      LEU  65   7.001   2.331  -0.470
  476   3HD2  LEU  65          3HD2      LEU  65   6.670   2.894   1.188
  477    H    GLY  66           H        GLY  66   9.676  -1.909   1.322
  478   1HA   GLY  66          2HA       GLY  66  12.017  -0.897   2.548
  479   2HA   GLY  66          1HA       GLY  66  11.589  -2.596   2.409
  480    H    LYS  67           H        LYS  67  11.637  -3.146  -0.219
  481    HA   LYS  67           HA       LYS  67  14.280  -3.265  -0.977
  482   1HB   LYS  67          2HB       LYS  67  11.667  -3.597  -2.397
  483   2HB   LYS  67          1HB       LYS  67  13.229  -4.084  -3.046
  484   1HG   LYS  67          2HG       LYS  67  12.190  -5.087  -0.420
  485   2HG   LYS  67          1HG       LYS  67  11.848  -5.900  -1.947
  486   1HD   LYS  67          2HD       LYS  67  14.656  -5.212  -1.129
  487   2HD   LYS  67          1HD       LYS  67  13.872  -6.677  -0.555
  488   1HE   LYS  67          2HE       LYS  67  15.328  -6.761  -2.563
  489   2HE   LYS  67          1HE       LYS  67  13.759  -7.606  -2.712
  490   1HZ   LYS  67          1HZ       LYS  67  13.045  -5.687  -4.003
  491   2HZ   LYS  67          2HZ       LYS  67  14.388  -6.398  -4.728
  492   3HZ   LYS  67          3HZ       LYS  67  14.574  -4.952  -3.895
  493    H    MET  68           H        MET  68  11.713  -1.012  -1.696
  494    HA   MET  68           HA       MET  68  11.625   1.035  -2.585
  495   1HB   MET  68          2HB       MET  68  14.634   0.838  -2.974
  496   2HB   MET  68          1HB       MET  68  13.670   2.298  -3.158
  497   1HG   MET  68          2HG       MET  68  13.065   2.128  -0.746
  498   2HG   MET  68          1HG       MET  68  14.146   0.755  -0.624
  499   1HE   MET  68          1HE       MET  68  14.720   4.029  -2.775
  500   2HE   MET  68          2HE       MET  68  15.563   5.041  -1.601
  501   3HE   MET  68          3HE       MET  68  13.882   4.590  -1.328
  502    H    SER  69           H        SER  69  11.500  -1.479  -3.820
  503    HA   SER  69           HA       SER  69  12.265  -1.047  -6.620
  504   1HB   SER  69          2HB       SER  69  11.512  -3.534  -5.039
  505   2HB   SER  69          1HB       SER  69  11.989  -3.474  -6.743
  506    HG   SER  69           HG       SER  69  13.701  -2.229  -5.037
  507    H    LYS  70           H        LYS  70  10.927  -1.056  -8.151
  508    HA   LYS  70           HA       LYS  70   8.149  -0.403  -7.476
  509   1HB   LYS  70          2HB       LYS  70   9.848   0.146  -9.884
  510   2HB   LYS  70          1HB       LYS  70   8.256   0.829  -9.541
  511   1HG   LYS  70          2HG       LYS  70   9.027   2.129  -7.814
  512   2HG   LYS  70          1HG       LYS  70  10.467   1.145  -7.587
  513   1HD   LYS  70          2HD       LYS  70  11.322   1.925  -9.704
  514   2HD   LYS  70          1HD       LYS  70   9.858   2.872  -9.926
  515   1HE   LYS  70          2HE       LYS  70  11.944   3.230  -7.746
  516   2HE   LYS  70          1HE       LYS  70  11.700   4.292  -9.129
  517   1HZ   LYS  70          1HZ       LYS  70   9.730   3.819  -6.968
  518   2HZ   LYS  70          2HZ       LYS  70   9.533   4.912  -8.260
  519   3HZ   LYS  70          3HZ       LYS  70  10.724   5.157  -7.104
  520    H    ASN  71           H        ASN  71  10.151  -2.625  -9.029
  521    HA   ASN  71           HA       ASN  71   8.422  -3.656 -10.956
  522   1HB   ASN  71          2HB       ASN  71   9.614  -5.771 -10.676
  523   2HB   ASN  71          1HB       ASN  71  10.635  -4.414 -11.200
  524   1HD2  ASN  71          1HD2      ASN  71  10.268  -6.948  -8.938
  525   2HD2  ASN  71          2HD2      ASN  71  11.502  -6.425  -7.843
  526    H    GLU  72           H        GLU  72   6.819  -4.906 -11.013
  527    HA   GLU  72           HA       GLU  72   5.182  -5.171  -8.810
  528   1HB   GLU  72          2HB       GLU  72   4.057  -6.839 -10.423
  529   2HB   GLU  72          1HB       GLU  72   3.903  -5.084 -10.699
  530   1HG   GLU  72          2HG       GLU  72   4.294  -6.250 -12.766
  531   2HG   GLU  72          1HG       GLU  72   5.762  -5.375 -12.373
  532    H    GLU  73           H        GLU  73   7.517  -7.371  -9.920
  533    HA   GLU  73           HA       GLU  73   6.725  -9.742  -8.644
  534   1HB   GLU  73          2HB       GLU  73   8.542  -9.462 -10.256
  535   2HB   GLU  73          1HB       GLU  73   9.457  -8.555  -9.098
  536   1HG   GLU  73          2HG       GLU  73   8.727 -11.463  -8.674
  537   2HG   GLU  73          1HG       GLU  73  10.224 -10.947  -9.434
  538    H    ASP  74           H        ASP  74   8.347  -6.868  -7.530
  539    HA   ASP  74           HA       ASP  74   9.089  -7.997  -4.988
  540   1HB   ASP  74          2HB       ASP  74  10.480  -6.437  -6.345
  541   2HB   ASP  74          1HB       ASP  74   9.310  -5.177  -5.997
  542    H    VAL  75           H        VAL  75   6.731  -5.882  -6.320
  543    HA   VAL  75           HA       VAL  75   5.895  -4.640  -3.851
  544    HB   VAL  75           HB       VAL  75   4.071  -4.906  -6.260
  545   1HG1  VAL  75          1HG1      VAL  75   4.485  -2.668  -4.300
  546   2HG1  VAL  75          2HG1      VAL  75   3.113  -3.779  -4.322
  547   3HG1  VAL  75          3HG1      VAL  75   3.380  -2.643  -5.661
  548   1HG2  VAL  75          1HG2      VAL  75   6.233  -4.285  -7.153
  549   2HG2  VAL  75          2HG2      VAL  75   6.344  -2.943  -6.012
  550   3HG2  VAL  75          3HG2      VAL  75   5.101  -2.940  -7.271
  551    H    SER  76           H        SER  76   4.896  -5.555  -2.173
  552    HA   SER  76           HA       SER  76   2.880  -7.533  -2.355
  553   1HB   SER  76          2HB       SER  76   4.868  -8.838  -3.100
  554   2HB   SER  76          1HB       SER  76   5.692  -8.409  -1.616
  555    HG   SER  76           HG       SER  76   3.502 -10.092  -2.020
  556    HA   PRO  77           HA       PRO  77   2.663  -6.126   2.001
  557   1HB   PRO  77          2HB       PRO  77   0.952  -7.956   2.988
  558   2HB   PRO  77          1HB       PRO  77   0.414  -6.692   1.887
  559   1HG   PRO  77          2HG       PRO  77   1.025  -9.561   1.336
  560   2HG   PRO  77          1HG       PRO  77  -0.294  -8.559   0.705
  561   1HD   PRO  77          2HD       PRO  77   1.980  -9.147  -0.701
  562   2HD   PRO  77          1HD       PRO  77   1.016  -7.682  -0.965
  563    H    SER  78           H        SER  78   3.996  -9.038   1.025
  564    HA   SER  78           HA       SER  78   4.593 -10.146   3.697
  565   1HB   SER  78          2HB       SER  78   4.013 -11.610   1.691
  566   2HB   SER  78          1HB       SER  78   5.506 -10.923   1.001
  567    HG   SER  78           HG       SER  78   5.406 -13.066   2.391
  568    H    LEU  79           H        LEU  79   6.399 -10.250   4.620
  569    HA   LEU  79           HA       LEU  79   8.364  -8.497   3.474
  570   1HB   LEU  79          2HB       LEU  79   7.958  -9.263   6.351
  571   2HB   LEU  79          1HB       LEU  79   9.265  -8.272   5.717
  572    HG   LEU  79           HG       LEU  79   6.342  -7.605   5.809
  573   1HD1  LEU  79          1HD1      LEU  79   8.744  -6.194   6.923
  574   2HD1  LEU  79          2HD1      LEU  79   7.555  -7.107   7.850
  575   3HD1  LEU  79          3HD1      LEU  79   7.090  -5.619   7.019
  576   1HD2  LEU  79          1HD2      LEU  79   6.907  -5.531   4.582
  577   2HD2  LEU  79          2HD2      LEU  79   7.086  -6.995   3.629
  578   3HD2  LEU  79          3HD2      LEU  79   8.525  -6.190   4.273
  579    H    GLU  80           H        GLU  80   7.672 -11.397   3.284
  580    HA   GLU  80           HA       GLU  80   8.678 -13.276   2.638
  581   1HB   GLU  80          2HB       GLU  80   9.160 -11.603   0.933
  582   2HB   GLU  80          1HB       GLU  80  10.738 -11.345   1.625
  583   1HG   GLU  80          2HG       GLU  80  11.232 -13.751   1.251
  584   2HG   GLU  80          1HG       GLU  80   9.601 -13.777   0.536
  585    H    GLY  81           H        GLY  81  11.831 -11.865   2.851
  586   1HA   GLY  81          2HA       GLY  81  12.371 -13.225   5.263
  587   2HA   GLY  81          1HA       GLY  81  13.313 -13.761   3.860
  588    H    LEU  82           H        LEU  82  12.144 -10.585   4.503
  589    HA   LEU  82           HA       LEU  82  14.570  -9.267   3.923
  590   1HB   LEU  82          2HB       LEU  82  11.967  -8.401   5.131
  591   2HB   LEU  82          1HB       LEU  82  13.258  -7.298   4.707
  592    HG   LEU  82           HG       LEU  82  12.127  -9.109   2.588
  593   1HD1  LEU  82          1HD1      LEU  82  11.114  -6.430   3.479
  594   2HD1  LEU  82          2HD1      LEU  82  10.287  -8.021   3.656
  595   3HD1  LEU  82          3HD1      LEU  82  10.563  -7.363   2.052
  596   1HD2  LEU  82          1HD2      LEU  82  14.187  -7.753   2.271
  597   2HD2  LEU  82          2HD2      LEU  82  13.156  -6.339   2.594
  598   3HD2  LEU  82          3HD2      LEU  82  12.846  -7.339   1.176
  599    H    THR  83           H        THR  83  15.967  -8.231   5.311
  600    HA   THR  83           HA       THR  83  15.978  -9.225   8.004
  601    HB   THR  83           HB       THR  83  18.210  -8.095   8.081
  602    HG1  THR  83           1HG      THR  83  18.804  -7.780   5.635
  603   1HG2  THR  83          1HG2      THR  83  17.770 -10.020   5.804
  604   2HG2  THR  83          2HG2      THR  83  17.955 -10.464   7.494
  605   3HG2  THR  83          3HG2      THR  83  19.307  -9.729   6.623
  606    H    GLU  84           H        GLU  84  17.041  -7.392   9.521
  607    HA   GLU  84           HA       GLU  84  14.924  -5.843  10.323
  608   1HB   GLU  84          2HB       GLU  84  16.791  -6.476  11.754
  609   2HB   GLU  84          1HB       GLU  84  17.850  -5.397  10.859
  610   1HG   GLU  84          2HG       GLU  84  16.380  -3.510  11.537
  611   2HG   GLU  84          1HG       GLU  84  15.495  -4.636  12.550
  612    H    LYS  85           H        LYS  85  17.756  -4.778   8.383
  613    HA   LYS  85           HA       LYS  85  16.827  -2.077   8.516
  614   1HB   LYS  85          2HB       LYS  85  18.800  -1.404   7.503
  615   2HB   LYS  85          1HB       LYS  85  19.285  -2.922   8.215
  616   1HG   LYS  85          2HG       LYS  85  18.571  -2.397   5.386
  617   2HG   LYS  85          1HG       LYS  85  20.223  -2.628   5.965
  618   1HD   LYS  85          2HD       LYS  85  19.165  -5.071   6.627
  619   2HD   LYS  85          1HD       LYS  85  17.965  -4.467   5.571
  620   1HE   LYS  85          2HE       LYS  85  19.551  -5.857   4.330
  621   2HE   LYS  85          1HE       LYS  85  19.399  -4.218   3.707
  622   1HZ   LYS  85          1HZ       LYS  85  21.710  -4.940   3.782
  623   2HZ   LYS  85          2HZ       LYS  85  21.604  -5.217   5.429
  624   3HZ   LYS  85          3HZ       LYS  85  21.499  -3.659   4.852
  625    H    GLU  86           H        GLU  86  16.250  -4.715   6.368
  626    HA   GLU  86           HA       GLU  86  15.510  -3.366   4.037
  627   1HB   GLU  86          2HB       GLU  86  14.882  -5.983   5.317
  628   2HB   GLU  86          1HB       GLU  86  14.311  -5.557   3.733
  629   1HG   GLU  86          2HG       GLU  86  17.198  -5.831   4.578
  630   2HG   GLU  86          1HG       GLU  86  16.258  -7.014   3.714
  631    H    ILE  87           H        ILE  87  13.832  -4.858   6.697
  632    HA   ILE  87           HA       ILE  87  11.231  -4.091   6.053
  633    HB   ILE  87           HB       ILE  87  12.594  -4.777   8.583
  634   1HG1  ILE  87          2HG1      ILE  87  10.922  -6.495   6.746
  635   2HG1  ILE  87          1HG1      ILE  87  12.657  -6.551   6.987
  636   1HG2  ILE  87          1HG2      ILE  87   9.630  -4.609   8.001
  637   2HG2  ILE  87          2HG2      ILE  87  10.527  -3.573   9.116
  638   3HG2  ILE  87          3HG2      ILE  87  10.288  -5.294   9.492
  639   1HD1  ILE  87          1HD1      ILE  87  11.556  -8.358   8.184
  640   2HD1  ILE  87          2HD1      ILE  87  10.601  -7.161   9.082
  641   3HD1  ILE  87          3HD1      ILE  87  12.348  -7.225   9.289
  642    H    ASN  88           H        ASN  88  13.739  -2.629   8.133
  643    HA   ASN  88           HA       ASN  88  12.139  -0.592   9.178
  644   1HB   ASN  88          2HB       ASN  88  15.058  -0.954   9.010
  645   2HB   ASN  88          1HB       ASN  88  14.449   0.672   9.318
  646   1HD2  ASN  88          1HD2      ASN  88  14.690  -2.579  10.534
  647   2HD2  ASN  88          2HD2      ASN  88  14.202  -2.216  12.155
  648    H    THR  89           H        THR  89  13.821  -0.754   6.198
  649    HA   THR  89           HA       THR  89  13.701   1.946   5.565
  650    HB   THR  89           HB       THR  89  13.596  -0.461   3.727
  651    HG1  THR  89           1HG      THR  89  15.501  -0.455   4.976
  652   1HG2  THR  89          1HG2      THR  89  14.471   1.097   2.044
  653   2HG2  THR  89          2HG2      THR  89  14.327   2.402   3.252
  654   3HG2  THR  89          3HG2      THR  89  12.875   1.582   2.655
  655    H    LEU  90           H        LEU  90  11.266  -0.619   5.310
  656    HA   LEU  90           HA       LEU  90   9.468   0.971   3.723
  657   1HB   LEU  90          2HB       LEU  90   8.224  -0.905   3.560
  658   2HB   LEU  90          1HB       LEU  90   9.634  -1.714   4.206
  659    HG   LEU  90           HG       LEU  90   8.378  -1.015   6.441
  660   1HD1  LEU  90          1HD1      LEU  90   6.135  -1.416   4.516
  661   2HD1  LEU  90          2HD1      LEU  90   6.518   0.034   5.444
  662   3HD1  LEU  90          3HD1      LEU  90   5.978  -1.427   6.275
  663   1HD2  LEU  90          1HD2      LEU  90   7.473  -3.273   6.535
  664   2HD2  LEU  90          2HD2      LEU  90   9.148  -3.219   5.920
  665   3HD2  LEU  90          3HD2      LEU  90   7.776  -3.415   4.799
  666    H    ASN  91           H        ASN  91  10.056   0.120   7.001
  667    HA   ASN  91           HA       ASN  91   7.863   1.286   8.184
  668   1HB   ASN  91          2HB       ASN  91  10.642   0.812   9.190
  669   2HB   ASN  91          1HB       ASN  91   9.418   1.525  10.209
  670   1HD2  ASN  91          1HD2      ASN  91  10.819  -1.036  10.533
  671   2HD2  ASN  91          2HD2      ASN  91   9.607  -2.246  10.571
  672    H    ASP  92           H        ASP  92  10.943   2.799   7.227
  673    HA   ASP  92           HA       ASP  92  10.333   5.417   8.182
  674   1HB   ASP  92          2HB       ASP  92  11.929   4.707   5.703
  675   2HB   ASP  92          1HB       ASP  92  11.927   6.269   6.498
  676    H    TRP  93           H        TRP  93   9.810   3.759   5.167
  677    HA   TRP  93           HA       TRP  93   8.449   5.683   3.653
  678   1HB   TRP  93          2HB       TRP  93   8.695   2.843   3.813
  679   2HB   TRP  93          1HB       TRP  93   7.322   3.290   2.886
  680    HD1  TRP  93           HD       TRP  93  10.918   2.617   2.682
  681    HE1  TRP  93           1HE      TRP  93  11.940   3.405   0.469
  682    HE3  TRP  93           3HE      TRP  93   7.111   5.578   1.059
  683    HZ2  TRP  93           2HZ      TRP  93  11.228   5.077  -1.701
  684    HZ3  TRP  93           3HZ      TRP  93   7.348   6.745  -1.102
  685    HH2  TRP  93           HH       TRP  93   9.364   6.502  -2.445
  686    H    GLU  94           H        GLU  94   7.060   3.333   5.809
  687    HA   GLU  94           HA       GLU  94   4.432   4.158   5.384
  688   1HB   GLU  94          2HB       GLU  94   5.198   2.048   6.532
  689   2HB   GLU  94          1HB       GLU  94   5.534   3.040   7.943
  690   1HG   GLU  94          2HG       GLU  94   3.172   3.779   7.932
  691   2HG   GLU  94          1HG       GLU  94   3.010   2.664   6.539
  692    H    THR  95           H        THR  95   6.860   5.197   7.665
  693    HA   THR  95           HA       THR  95   5.474   6.984   9.241
  694    HB   THR  95           HB       THR  95   8.345   7.119   8.310
  695    HG1  THR  95           1HG      THR  95   8.184   5.215   9.374
  696   1HG2  THR  95          1HG2      THR  95   8.755   8.346  10.408
  697   2HG2  THR  95          2HG2      THR  95   7.026   8.309  10.763
  698   3HG2  THR  95          3HG2      THR  95   7.622   9.215   9.372
  699    H    LYS  96           H        LYS  96   6.625   7.305   5.936
  700    HA   LYS  96           HA       LYS  96   6.463  10.166   5.892
  701   1HB   LYS  96          2HB       LYS  96   6.758   8.130   3.674
  702   2HB   LYS  96          1HB       LYS  96   6.811   9.872   3.424
  703   1HG   LYS  96          2HG       LYS  96   8.768  10.030   4.884
  704   2HG   LYS  96          1HG       LYS  96   8.706   8.291   5.152
  705   1HD   LYS  96          2HD       LYS  96   9.156   7.871   2.870
  706   2HD   LYS  96          1HD       LYS  96   9.100   9.600   2.458
  707   1HE   LYS  96          2HE       LYS  96  11.014   9.937   4.033
  708   2HE   LYS  96          1HE       LYS  96  11.072   8.197   4.269
  709   1HZ   LYS  96          1HZ       LYS  96  12.691   8.957   2.663
  710   2HZ   LYS  96          2HZ       LYS  96  11.513   9.592   1.679
  711   3HZ   LYS  96          3HZ       LYS  96  11.607   7.921   1.924
  712    H    PHE  97           H        PHE  97   4.616   7.459   4.792
  713    HA   PHE  97           HA       PHE  97   2.409   8.879   3.829
  714   1HB   PHE  97          2HB       PHE  97   2.823   6.133   4.901
  715   2HB   PHE  97          1HB       PHE  97   1.223   6.662   4.436
  716    HD1  PHE  97           1HD      PHE  97   4.678   6.148   3.185
  717    HD2  PHE  97           2HD      PHE  97   0.579   6.620   2.174
  718    HE1  PHE  97           1HE      PHE  97   5.174   5.512   0.863
  719    HE2  PHE  97           2HE      PHE  97   1.074   5.995  -0.137
  720    HZ   PHE  97           HZ       PHE  97   3.375   5.434  -0.795
  721    H    GLU  98           H        GLU  98   3.223   7.617   6.962
  722    HA   GLU  98           HA       GLU  98   1.030   8.283   8.480
  723   1HB   GLU  98          2HB       GLU  98   3.890   7.966   8.929
  724   2HB   GLU  98          1HB       GLU  98   3.051   8.481  10.331
  725   1HG   GLU  98          2HG       GLU  98   2.592   5.977   8.721
  726   2HG   GLU  98          1HG       GLU  98   3.320   6.094  10.319
  727    H    ALA  99           H        ALA  99   3.212  10.491   6.967
  728    HA   ALA  99           HA       ALA  99   2.484  12.572   8.862
  729   1HB   ALA  99          1HB       ALA  99   4.350  13.835   7.936
  730   2HB   ALA  99          2HB       ALA  99   4.680  12.532   6.791
  731   3HB   ALA  99          3HB       ALA  99   4.879  12.259   8.520
  732    H    LYS 100           H        LYS 100   1.469  11.300   5.900
  733    HA   LYS 100           HA       LYS 100   0.292  13.859   5.227
  734   1HB   LYS 100          2HB       LYS 100   1.883  12.167   3.350
  735   2HB   LYS 100          1HB       LYS 100   0.740  13.276   2.714
  736   1HG   LYS 100          2HG       LYS 100   2.633  14.548   2.552
  737   2HG   LYS 100          1HG       LYS 100   2.169  14.990   4.193
  738   1HD   LYS 100          2HD       LYS 100   4.476  14.464   4.245
  739   2HD   LYS 100          1HD       LYS 100   3.623  13.104   4.980
  740   1HE   LYS 100          2HE       LYS 100   5.250  12.192   3.518
  741   2HE   LYS 100          1HE       LYS 100   3.702  11.945   2.781
  742   1HZ   LYS 100          1HZ       LYS 100   4.108  13.901   1.335
  743   2HZ   LYS 100          2HZ       LYS 100   5.215  12.673   1.150
  744   3HZ   LYS 100          3HZ       LYS 100   5.658  14.043   2.018
  745    H    TYR 101           H        TYR 101   0.503  10.609   3.965
  746    HA   TYR 101           HA       TYR 101  -2.167  10.668   2.985
  747   1HB   TYR 101          2HB       TYR 101  -0.135   8.468   3.122
  748   2HB   TYR 101          1HB       TYR 101  -1.665   8.376   2.260
  749    HD1  TYR 101           1HD      TYR 101   1.765   9.390   2.064
  750    HD2  TYR 101           2HD      TYR 101  -2.079  10.126   0.424
  751    HE1  TYR 101           1HE      TYR 101   2.807  10.479   0.130
  752    HE2  TYR 101           2HE      TYR 101  -1.046  11.209  -1.520
  753    HH   TYR 101           HH       TYR 101   1.026  12.353  -2.023
  754    HA   PRO 102           HA       PRO 102  -4.062   9.086   6.695
  755   1HB   PRO 102          2HB       PRO 102  -6.583   9.067   5.856
  756   2HB   PRO 102          1HB       PRO 102  -5.724  10.594   6.086
  757   1HG   PRO 102          2HG       PRO 102  -6.207   9.062   3.568
  758   2HG   PRO 102          1HG       PRO 102  -6.430  10.795   3.853
  759   1HD   PRO 102          2HD       PRO 102  -4.193   9.791   2.655
  760   2HD   PRO 102          1HD       PRO 102  -4.182  11.240   3.691
  761    H    VAL 103           H        VAL 103  -4.551   7.161   7.471
  762    HA   VAL 103           HA       VAL 103  -4.685   4.849   5.725
  763    HB   VAL 103           HB       VAL 103  -4.937   4.987   8.765
  764   1HG1  VAL 103          1HG1      VAL 103  -4.618   2.590   6.950
  765   2HG1  VAL 103          2HG1      VAL 103  -6.066   3.010   7.860
  766   3HG1  VAL 103          3HG1      VAL 103  -4.591   2.548   8.712
  767   1HG2  VAL 103          1HG2      VAL 103  -2.699   5.611   7.952
  768   2HG2  VAL 103          2HG2      VAL 103  -2.629   4.094   7.042
  769   3HG2  VAL 103          3HG2      VAL 103  -2.677   4.062   8.787
  770    H    VAL 104           H        VAL 104  -6.475   4.541   4.728
  771    HA   VAL 104           HA       VAL 104  -8.987   5.312   6.017
  772    HB   VAL 104           HB       VAL 104 -10.029   5.141   3.759
  773   1HG1  VAL 104          1HG1      VAL 104  -8.966   7.166   2.857
  774   2HG1  VAL 104          2HG1      VAL 104  -7.605   6.930   3.950
  775   3HG1  VAL 104          3HG1      VAL 104  -9.206   7.284   4.600
  776   1HG2  VAL 104          1HG2      VAL 104  -7.185   4.691   2.856
  777   2HG2  VAL 104          2HG2      VAL 104  -8.560   4.991   1.799
  778   3HG2  VAL 104          3HG2      VAL 104  -8.498   3.512   2.764
  779    H    GLY 105           H        GLY 105  -7.235   2.578   5.767
  780   1HA   GLY 105          2HA       GLY 105  -9.135   1.025   6.892
  781   2HA   GLY 105          1HA       GLY 105  -9.338   0.690   5.205
  782    H    ARG 106           H        ARG 106  -8.709  -1.458   5.592
  783    HA   ARG 106           HA       ARG 106  -5.806  -1.818   6.034
  784   1HB   ARG 106          2HB       ARG 106  -6.315  -4.038   6.856
  785   2HB   ARG 106          1HB       ARG 106  -6.910  -2.864   7.962
  786   1HG   ARG 106          2HG       ARG 106  -9.154  -3.205   7.189
  787   2HG   ARG 106          1HG       ARG 106  -8.537  -4.287   5.926
  788   1HD   ARG 106          2HD       ARG 106  -9.373  -5.518   7.858
  789   2HD   ARG 106          1HD       ARG 106  -7.643  -5.717   7.458
  790    HE   ARG 106           HE       ARG 106  -8.100  -3.687   9.427
  791   1HH1  ARG 106          1HH1      ARG 106  -7.740  -7.200   9.090
  792   2HH1  ARG 106          2HH1      ARG 106  -7.214  -7.433  10.690
  793   1HH2  ARG 106          1HH2      ARG 106  -7.384  -4.042  11.637
  794   2HH2  ARG 106          2HH2      ARG 106  -7.022  -5.614  12.146
  795    H    VAL 107           H        VAL 107  -4.925  -3.582   4.957
  796    HA   VAL 107           HA       VAL 107  -6.743  -4.748   3.062
  797    HB   VAL 107           HB       VAL 107  -4.892  -3.400   1.940
  798   1HG1  VAL 107          1HG1      VAL 107  -3.210  -5.586   3.012
  799   2HG1  VAL 107          2HG1      VAL 107  -3.094  -3.830   3.350
  800   3HG1  VAL 107          3HG1      VAL 107  -2.749  -4.460   1.728
  801   1HG2  VAL 107          1HG2      VAL 107  -6.159  -5.038   0.810
  802   2HG2  VAL 107          2HG2      VAL 107  -5.178  -6.296   1.519
  803   3HG2  VAL 107          3HG2      VAL 107  -4.459  -5.213   0.283
  804    H    VAL 108           H        VAL 108  -6.732  -6.842   2.915
  805    HA   VAL 108           HA       VAL 108  -5.186  -8.330   4.902
  806    HB   VAL 108           HB       VAL 108  -7.287  -9.606   5.406
  807   1HG1  VAL 108          1HG1      VAL 108  -6.718  -7.547   6.695
  808   2HG1  VAL 108          2HG1      VAL 108  -8.509  -7.723   6.446
  809   3HG1  VAL 108          3HG1      VAL 108  -7.569  -6.678   5.406
  810   1HG2  VAL 108          1HG2      VAL 108  -9.386  -8.806   4.622
  811   2HG2  VAL 108          2HG2      VAL 108  -8.366  -9.106   3.168
  812   3HG2  VAL 108          3HG2      VAL 108  -8.556  -7.466   3.869
  813    H    SER 109           H        SER 109  -4.370 -10.235   4.054
  814    HA   SER 109           HA       SER 109  -5.717 -11.267   1.759
  815   1HB   SER 109          2HB       SER 109  -3.706 -11.314   0.342
  816   2HB   SER 109          1HB       SER 109  -4.215  -9.690   0.862
  817    HG   SER 109           HG       SER 109  -2.393 -11.022   2.428
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1 -13.679  -9.217   4.796
    2   2H    MET   1          2HT       MET   1 -12.784 -10.630   5.081
    3   3H    MET   1          3HT       MET   1 -14.457 -10.695   4.946
    4    HA   MET   1           HA       MET   1 -12.686  -9.808   2.789
    5   1HB   MET   1          2HB       MET   1 -14.134 -12.466   3.077
    6   2HB   MET   1          1HB       MET   1 -13.240 -11.939   1.670
    7   1HG   MET   1          2HG       MET   1 -11.919 -13.524   2.891
    8   2HG   MET   1          1HG       MET   1 -11.166 -11.939   3.020
    9   1HE   MET   1          1HE       MET   1  -9.665 -12.882   5.020
   10   2HE   MET   1          2HE       MET   1 -10.460 -14.452   4.882
   11   3HE   MET   1          3HE       MET   1 -10.330 -13.661   6.455
   12    H    GLY   2           H        GLY   2 -13.839  -8.251   1.922
   13   1HA   GLY   2          2HA       GLY   2 -15.518  -7.516   0.492
   14   2HA   GLY   2          1HA       GLY   2 -16.437  -8.965   0.860
   15    H    HIS   3           H        HIS   3 -15.236  -7.230   3.596
   16    HA   HIS   3           HA       HIS   3 -17.866  -5.963   3.880
   17   1HB   HIS   3          2HB       HIS   3 -16.061  -6.969   6.115
   18   2HB   HIS   3          1HB       HIS   3 -17.522  -6.040   6.356
   19    HD1  HIS   3           1HD      HIS   3 -19.652  -7.346   6.600
   20    HD2  HIS   3           2HD      HIS   3 -16.577  -9.640   5.015
   21    HE1  HIS   3           1HE      HIS   3 -20.518  -9.689   6.554
   22    HE2  HIS   3           2HE      HIS   3 -18.569 -11.078   5.789
   23    H    HIS   4           H        HIS   4 -17.225  -4.115   2.891
   24    HA   HIS   4           HA       HIS   4 -14.714  -2.934   3.416
   25   1HB   HIS   4          2HB       HIS   4 -15.770  -2.594   1.262
   26   2HB   HIS   4          1HB       HIS   4 -17.129  -1.773   2.022
   27    HD1  HIS   4           1HD      HIS   4 -16.979   0.704   1.860
   28    HD2  HIS   4           2HD      HIS   4 -13.212  -1.051   1.857
   29    HE1  HIS   4           1HE      HIS   4 -15.371   2.579   1.592
   30    HE2  HIS   4           2HE      HIS   4 -13.136   1.558   1.890
   31    H    HIS   5           H        HIS   5 -17.975  -2.033   4.492
   32    HA   HIS   5           HA       HIS   5 -16.707   0.059   6.040
   33   1HB   HIS   5          2HB       HIS   5 -18.694   0.688   4.725
   34   2HB   HIS   5          1HB       HIS   5 -19.660  -0.462   5.640
   35    HD1  HIS   5           1HD      HIS   5 -20.652   0.366   7.818
   36    HD2  HIS   5           2HD      HIS   5 -17.772   2.943   6.305
   37    HE1  HIS   5           1HE      HIS   5 -20.725   2.396   9.282
   38    HE2  HIS   5           2HE      HIS   5 -18.780   3.776   8.522
   39    H    HIS   6           H        HIS   6 -15.986  -0.446   7.917
   40    HA   HIS   6           HA       HIS   6 -17.561  -2.212   9.654
   41   1HB   HIS   6          2HB       HIS   6 -14.607  -1.506   9.740
   42   2HB   HIS   6          1HB       HIS   6 -15.423  -2.293  11.078
   43    HD1  HIS   6           1HD      HIS   6 -15.998  -4.784  10.792
   44    HD2  HIS   6           2HD      HIS   6 -14.029  -3.125   7.544
   45    HE1  HIS   6           1HE      HIS   6 -15.244  -6.733   9.407
   46    HE2  HIS   6           2HE      HIS   6 -13.830  -5.723   7.614
   47    H    HIS   7           H        HIS   7 -16.640  -1.349  12.125
   48    HA   HIS   7           HA       HIS   7 -17.354   1.477  12.037
   49   1HB   HIS   7          2HB       HIS   7 -19.163   0.121  13.021
   50   2HB   HIS   7          1HB       HIS   7 -18.050  -0.516  14.218
   51    HD1  HIS   7           1HD      HIS   7 -18.003   0.718  16.375
   52    HD2  HIS   7           2HD      HIS   7 -19.577   3.034  13.314
   53    HE1  HIS   7           1HE      HIS   7 -18.829   2.820  17.479
   54    HE2  HIS   7           2HE      HIS   7 -19.525   4.296  15.567
   55    H    HIS   8           H        HIS   8 -15.042   1.569  11.674
   56    HA   HIS   8           HA       HIS   8 -13.679   2.709  13.782
   57   1HB   HIS   8          2HB       HIS   8 -13.435   0.369  14.673
   58   2HB   HIS   8          1HB       HIS   8 -12.614  -0.080  13.186
   59    HD1  HIS   8           1HD      HIS   8 -10.156  -0.115  13.457
   60    HD2  HIS   8           2HD      HIS   8 -11.932   2.699  15.937
   61    HE1  HIS   8           1HE      HIS   8  -8.267   0.955  14.726
   62    HE2  HIS   8           2HE      HIS   8  -9.412   2.432  16.408
   63    H    LEU   9           H        LEU   9 -13.153   0.622  10.946
   64    HA   LEU   9           HA       LEU   9 -12.148   2.764   9.447
   65   1HB   LEU   9          2HB       LEU   9  -9.959   1.699   8.894
   66   2HB   LEU   9          1HB       LEU   9 -10.066   2.378  10.492
   67    HG   LEU   9           HG       LEU   9 -10.375   0.042  11.377
   68   1HD1  LEU   9          1HD1      LEU   9  -9.674  -1.839   9.985
   69   2HD1  LEU   9          2HD1      LEU   9  -9.566  -0.768   8.589
   70   3HD1  LEU   9          3HD1      LEU   9 -11.130  -1.074   9.346
   71   1HD2  LEU   9          1HD2      LEU   9  -8.002  -0.503  11.190
   72   2HD2  LEU   9          2HD2      LEU   9  -8.300   1.222  11.481
   73   3HD2  LEU   9          3HD2      LEU   9  -7.877   0.663   9.862
   74    H    GLU  10           H        GLU  10 -11.355   1.791   7.195
   75    HA   GLU  10           HA       GLU  10 -13.521  -0.022   6.542
   76   1HB   GLU  10          2HB       GLU  10 -13.265   0.817   4.207
   77   2HB   GLU  10          1HB       GLU  10 -13.726   2.037   5.377
   78   1HG   GLU  10          2HG       GLU  10 -11.374   2.809   5.437
   79   2HG   GLU  10          1HG       GLU  10 -10.988   1.618   4.198
   80    H    GLU  11           H        GLU  11 -13.298  -1.949   5.633
   81    HA   GLU  11           HA       GLU  11 -10.668  -3.077   5.435
   82   1HB   GLU  11          2HB       GLU  11 -12.137  -4.359   6.696
   83   2HB   GLU  11          1HB       GLU  11 -13.448  -4.176   5.541
   84   1HG   GLU  11          2HG       GLU  11 -12.239  -5.483   3.953
   85   2HG   GLU  11          1HG       GLU  11 -10.914  -5.783   5.031
   86    H    PHE  12           H        PHE  12  -9.761  -3.508   3.636
   87    HA   PHE  12           HA       PHE  12 -11.326  -3.774   1.198
   88   1HB   PHE  12          2HB       PHE  12  -8.436  -3.003   1.612
   89   2HB   PHE  12          1HB       PHE  12  -9.212  -3.513   0.145
   90    HD1  PHE  12           1HD      PHE  12 -10.619  -1.997  -1.101
   91    HD2  PHE  12           2HD      PHE  12  -9.050  -0.857   2.683
   92    HE1  PHE  12           1HE      PHE  12 -11.284   0.324  -1.530
   93    HE2  PHE  12           2HE      PHE  12  -9.718   1.467   2.262
   94    HZ   PHE  12           HZ       PHE  12 -10.833   2.060   0.153
   95    H    THR  13           H        THR  13 -11.155  -5.738   0.268
   96    HA   THR  13           HA       THR  13  -9.245  -7.527   1.530
   97    HB   THR  13           HB       THR  13 -11.365  -8.297  -0.486
   98    HG1  THR  13           1HG      THR  13 -11.863  -7.263   1.798
   99   1HG2  THR  13          1HG2      THR  13  -9.587  -9.859  -0.122
  100   2HG2  THR  13          2HG2      THR  13 -11.079 -10.501   0.629
  101   3HG2  THR  13          3HG2      THR  13  -9.805  -9.718   1.612
  102    H    ALA  14           H        ALA  14  -7.874  -8.766   0.110
  103    HA   ALA  14           HA       ALA  14  -6.306  -6.994  -1.402
  104   1HB   ALA  14          1HB       ALA  14  -5.395  -8.990  -0.324
  105   2HB   ALA  14          2HB       ALA  14  -4.889  -8.857  -2.008
  106   3HB   ALA  14          3HB       ALA  14  -6.159  -9.993  -1.555
  107    H    GLU  15           H        GLU  15  -8.373  -9.570  -2.694
  108    HA   GLU  15           HA       GLU  15  -7.812  -9.136  -5.405
  109   1HB   GLU  15          2HB       GLU  15 -10.497 -10.010  -4.313
  110   2HB   GLU  15          1HB       GLU  15  -9.874 -10.313  -5.920
  111   1HG   GLU  15          2HG       GLU  15  -9.651 -12.361  -4.849
  112   2HG   GLU  15          1HG       GLU  15  -8.037 -11.674  -4.724
  113    H    GLN  16           H        GLN  16 -10.030  -7.628  -3.266
  114    HA   GLN  16           HA       GLN  16 -11.408  -6.106  -5.208
  115   1HB   GLN  16          2HB       GLN  16 -11.369  -6.181  -2.242
  116   2HB   GLN  16          1HB       GLN  16 -12.342  -4.998  -3.098
  117   1HG   GLN  16          2HG       GLN  16 -13.703  -6.623  -4.049
  118   2HG   GLN  16          1HG       GLN  16 -12.525  -7.904  -3.772
  119   1HE2  GLN  16          1HE2      GLN  16 -12.380  -8.816  -1.885
  120   2HE2  GLN  16          2HE2      GLN  16 -13.460  -8.608  -0.587
  121    H    LEU  17           H        LEU  17  -8.845  -5.499  -2.863
  122    HA   LEU  17           HA       LEU  17  -8.590  -2.696  -3.049
  123   1HB   LEU  17          2HB       LEU  17  -7.585  -4.254  -1.307
  124   2HB   LEU  17          1HB       LEU  17  -6.409  -4.736  -2.494
  125    HG   LEU  17           HG       LEU  17  -5.352  -3.200  -0.913
  126   1HD1  LEU  17          1HD1      LEU  17  -4.491  -3.050  -3.023
  127   2HD1  LEU  17          2HD1      LEU  17  -4.510  -1.489  -2.180
  128   3HD1  LEU  17          3HD1      LEU  17  -5.696  -1.827  -3.450
  129   1HD2  LEU  17          1HD2      LEU  17  -7.322  -2.066  -0.099
  130   2HD2  LEU  17          2HD2      LEU  17  -7.464  -1.201  -1.635
  131   3HD2  LEU  17          3HD2      LEU  17  -6.063  -0.937  -0.592
  132    H    SER  18           H        SER  18  -7.253  -5.339  -4.936
  133    HA   SER  18           HA       SER  18  -5.311  -3.971  -6.414
  134   1HB   SER  18          2HB       SER  18  -5.554  -6.465  -6.270
  135   2HB   SER  18          1HB       SER  18  -6.965  -6.334  -7.291
  136    HG   SER  18           HG       SER  18  -5.277  -5.043  -8.651
  137    H    GLN  19           H        GLN  19  -8.667  -3.643  -6.538
  138    HA   GLN  19           HA       GLN  19  -8.766  -2.975  -9.360
  139   1HB   GLN  19          2HB       GLN  19 -10.945  -2.994  -7.279
  140   2HB   GLN  19          1HB       GLN  19 -11.152  -2.918  -9.030
  141   1HG   GLN  19          2HG       GLN  19 -10.103  -5.178  -9.212
  142   2HG   GLN  19          1HG       GLN  19  -9.942  -5.177  -7.489
  143   1HE2  GLN  19          1HE2      GLN  19 -11.115  -7.010  -7.317
  144   2HE2  GLN  19          2HE2      GLN  19 -12.839  -7.051  -7.446
  145    H    TYR  20           H        TYR  20  -8.101  -1.484  -6.431
  146    HA   TYR  20           HA       TYR  20  -8.991   1.091  -7.450
  147   1HB   TYR  20          2HB       TYR  20  -8.389   0.252  -4.609
  148   2HB   TYR  20          1HB       TYR  20  -8.684   1.913  -5.115
  149    HD1  TYR  20           1HD      TYR  20 -10.880   2.642  -5.796
  150    HD2  TYR  20           2HD      TYR  20 -10.230  -1.359  -4.508
  151    HE1  TYR  20           1HE      TYR  20 -13.297   2.333  -5.564
  152    HE2  TYR  20           2HE      TYR  20 -12.658  -1.677  -4.274
  153    HH   TYR  20           HH       TYR  20 -14.633  -0.338  -3.961
  154    H    ASN  21           H        ASN  21  -7.259   1.162  -8.865
  155    HA   ASN  21           HA       ASN  21  -4.814   2.041  -7.545
  156   1HB   ASN  21          2HB       ASN  21  -3.449   0.992  -9.346
  157   2HB   ASN  21          1HB       ASN  21  -4.303  -0.164  -8.344
  158   1HD2  ASN  21          1HD2      ASN  21  -4.176  -1.743  -9.880
  159   2HD2  ASN  21          2HD2      ASN  21  -5.113  -1.718 -11.328
  160    H    GLY  22           H        GLY  22  -7.281   2.867  -9.541
  161   1HA   GLY  22          2HA       GLY  22  -7.573   5.069 -10.202
  162   2HA   GLY  22          1HA       GLY  22  -5.839   5.288 -10.199
  163    H    THR  23           H        THR  23  -6.693   2.484 -11.928
  164    HA   THR  23           HA       THR  23  -6.258   4.085 -14.323
  165    HB   THR  23           HB       THR  23  -4.730   2.162 -13.942
  166    HG1  THR  23           1HG      THR  23  -4.954   2.889 -16.037
  167   1HG2  THR  23          1HG2      THR  23  -7.162   0.490 -14.588
  168   2HG2  THR  23          2HG2      THR  23  -6.298   0.525 -13.051
  169   3HG2  THR  23          3HG2      THR  23  -5.510  -0.119 -14.491
  170    H    ASP  24           H        ASP  24  -8.721   2.066 -12.873
  171    HA   ASP  24           HA       ASP  24 -10.127   1.970 -15.370
  172   1HB   ASP  24          2HB       ASP  24 -10.257   0.018 -13.786
  173   2HB   ASP  24          1HB       ASP  24 -11.070   1.065 -12.660
  174    H    GLU  25           H        GLU  25 -10.740   4.038 -15.866
  175    HA   GLU  25           HA       GLU  25 -11.827   6.026 -15.863
  176   1HB   GLU  25          2HB       GLU  25 -13.662   4.673 -13.870
  177   2HB   GLU  25          1HB       GLU  25 -13.996   6.198 -14.667
  178   1HG   GLU  25          2HG       GLU  25 -13.942   5.005 -16.841
  179   2HG   GLU  25          1HG       GLU  25 -13.766   3.489 -15.950
  180    H    SER  26           H        SER  26  -9.820   5.302 -13.873
  181    HA   SER  26           HA       SER  26  -8.674   6.110 -12.175
  182   1HB   SER  26          2HB       SER  26  -8.641   8.196 -13.393
  183   2HB   SER  26          1HB       SER  26 -10.243   8.620 -12.790
  184    HG   SER  26           HG       SER  26  -9.391   8.729 -10.749
  185    H    LYS  27           H        LYS  27 -10.136   4.429 -11.121
  186    HA   LYS  27           HA       LYS  27 -12.055   5.283  -9.210
  187   1HB   LYS  27          2HB       LYS  27 -10.223   2.860  -9.067
  188   2HB   LYS  27          1HB       LYS  27 -11.637   3.118  -8.071
  189   1HG   LYS  27          2HG       LYS  27 -12.993   3.039 -10.256
  190   2HG   LYS  27          1HG       LYS  27 -11.496   2.540 -11.002
  191   1HD   LYS  27          2HD       LYS  27 -11.322   0.616  -9.577
  192   2HD   LYS  27          1HD       LYS  27 -12.749   1.114  -8.674
  193   1HE   LYS  27          2HE       LYS  27 -12.678   0.357 -11.594
  194   2HE   LYS  27          1HE       LYS  27 -13.263  -0.652 -10.275
  195   1HZ   LYS  27          1HZ       LYS  27 -14.449   1.952 -11.117
  196   2HZ   LYS  27          2HZ       LYS  27 -15.046   0.958  -9.883
  197   3HZ   LYS  27          3HZ       LYS  27 -15.047   0.428 -11.470
  198    HA   PRO  28           HA       PRO  28  -9.647   7.053  -5.829
  199   1HB   PRO  28          2HB       PRO  28 -10.736   4.790  -4.198
  200   2HB   PRO  28          1HB       PRO  28 -10.671   6.511  -3.794
  201   1HG   PRO  28          2HG       PRO  28 -12.946   5.428  -4.558
  202   2HG   PRO  28          1HG       PRO  28 -12.477   7.029  -5.166
  203   1HD   PRO  28          2HD       PRO  28 -12.457   4.392  -6.560
  204   2HD   PRO  28          1HD       PRO  28 -12.791   6.010  -7.212
  205    H    ILE  29           H        ILE  29  -7.608   6.707  -5.136
  206    HA   ILE  29           HA       ILE  29  -6.462   4.121  -5.931
  207    HB   ILE  29           HB       ILE  29  -4.979   6.738  -5.571
  208   1HG1  ILE  29          2HG1      ILE  29  -6.012   5.500  -8.128
  209   2HG1  ILE  29          1HG1      ILE  29  -6.735   6.896  -7.348
  210   1HG2  ILE  29          1HG2      ILE  29  -3.635   4.654  -5.477
  211   2HG2  ILE  29          2HG2      ILE  29  -3.268   5.589  -6.925
  212   3HG2  ILE  29          3HG2      ILE  29  -4.303   4.164  -7.033
  213   1HD1  ILE  29          1HD1      ILE  29  -3.934   6.766  -8.382
  214   2HD1  ILE  29          2HD1      ILE  29  -4.764   8.191  -7.729
  215   3HD1  ILE  29          3HD1      ILE  29  -5.318   7.443  -9.230
  216    H    TYR  30           H        TYR  30  -5.569   2.878  -4.417
  217    HA   TYR  30           HA       TYR  30  -4.824   4.067  -1.821
  218   1HB   TYR  30          2HB       TYR  30  -6.335   1.486  -2.261
  219   2HB   TYR  30          1HB       TYR  30  -5.724   2.097  -0.731
  220    HD1  TYR  30           1HD      TYR  30  -8.434   2.177  -3.104
  221    HD2  TYR  30           2HD      TYR  30  -6.739   4.175   0.234
  222    HE1  TYR  30           1HE      TYR  30 -10.563   3.350  -2.727
  223    HE2  TYR  30           2HE      TYR  30  -8.863   5.350   0.611
  224    HH   TYR  30           HH       TYR  30 -10.793   6.021  -0.679
  225    H    VAL  31           H        VAL  31  -3.317   3.031  -0.703
  226    HA   VAL  31           HA       VAL  31  -1.796   0.951  -2.113
  227    HB   VAL  31           HB       VAL  31   0.265   1.837  -1.079
  228   1HG1  VAL  31          1HG1      VAL  31  -1.056   3.867  -2.873
  229   2HG1  VAL  31          2HG1      VAL  31  -0.132   2.431  -3.371
  230   3HG1  VAL  31          3HG1      VAL  31   0.672   3.731  -2.508
  231   1HG2  VAL  31          1HG2      VAL  31  -0.669   3.018   0.759
  232   2HG2  VAL  31          2HG2      VAL  31  -1.421   4.187  -0.336
  233   3HG2  VAL  31          3HG2      VAL  31   0.342   4.114  -0.191
  234    H    ALA  32           H        ALA  32  -0.561  -0.403  -0.556
  235    HA   ALA  32           HA       ALA  32  -1.674  -0.196   2.123
  236   1HB   ALA  32          1HB       ALA  32  -1.936  -2.620   2.237
  237   2HB   ALA  32          2HB       ALA  32  -1.420  -2.770   0.555
  238   3HB   ALA  32          3HB       ALA  32  -2.915  -1.931   0.949
  239    H    ILE  33           H        ILE  33  -0.299  -0.375   3.684
  240    HA   ILE  33           HA       ILE  33   2.392  -1.498   3.204
  241    HB   ILE  33           HB       ILE  33   1.679   0.967   4.831
  242   1HG1  ILE  33          2HG1      ILE  33   3.130   0.760   2.200
  243   2HG1  ILE  33          1HG1      ILE  33   1.598   1.556   2.507
  244   1HG2  ILE  33          1HG2      ILE  33   3.503  -0.137   5.889
  245   2HG2  ILE  33          2HG2      ILE  33   4.090   1.313   5.038
  246   3HG2  ILE  33          3HG2      ILE  33   4.375  -0.269   4.351
  247   1HD1  ILE  33          1HD1      ILE  33   4.248   2.354   3.637
  248   2HD1  ILE  33          2HD1      ILE  33   2.724   3.197   3.935
  249   3HD1  ILE  33          3HD1      ILE  33   3.431   3.172   2.305
  250    H    LYS  34           H        LYS  34   2.458  -3.266   4.534
  251    HA   LYS  34           HA       LYS  34   1.914  -4.735   6.171
  252   1HB   LYS  34          2HB       LYS  34   2.304  -2.180   7.624
  253   2HB   LYS  34          1HB       LYS  34   1.608  -3.519   8.543
  254   1HG   LYS  34          2HG       LYS  34   4.227  -3.539   7.046
  255   2HG   LYS  34          1HG       LYS  34   4.028  -3.358   8.796
  256   1HD   LYS  34          2HD       LYS  34   2.842  -5.543   8.826
  257   2HD   LYS  34          1HD       LYS  34   3.232  -5.749   7.130
  258   1HE   LYS  34          2HE       LYS  34   5.604  -5.672   7.650
  259   2HE   LYS  34          1HE       LYS  34   5.226  -5.432   9.354
  260   1HZ   LYS  34          1HZ       LYS  34   5.742  -7.745   8.870
  261   2HZ   LYS  34          2HZ       LYS  34   4.473  -7.847   7.771
  262   3HZ   LYS  34          3HZ       LYS  34   4.161  -7.598   9.401
  263    H    GLY  35           H        GLY  35  -0.193  -3.785   4.594
  264   1HA   GLY  35          2HA       GLY  35  -2.392  -4.393   4.500
  265   2HA   GLY  35          1HA       GLY  35  -2.443  -4.659   6.220
  266    H    ARG  36           H        ARG  36  -1.032  -1.811   6.083
  267    HA   ARG  36           HA       ARG  36  -3.409  -0.364   6.780
  268   1HB   ARG  36          2HB       ARG  36  -0.547   0.507   6.436
  269   2HB   ARG  36          1HB       ARG  36  -1.812   1.507   7.119
  270   1HG   ARG  36          2HG       ARG  36  -2.034   0.071   8.994
  271   2HG   ARG  36          1HG       ARG  36  -0.983  -1.136   8.278
  272   1HD   ARG  36          2HD       ARG  36   0.252   0.073   9.935
  273   2HD   ARG  36          1HD       ARG  36   0.859   0.534   8.345
  274    HE   ARG  36           HE       ARG  36  -1.200   2.239   9.271
  275   1HH1  ARG  36          1HH1      ARG  36   2.363   1.666   9.448
  276   2HH1  ARG  36          2HH1      ARG  36   2.658   3.224  10.025
  277   1HH2  ARG  36          1HH2      ARG  36  -0.681   4.389  10.081
  278   2HH2  ARG  36          2HH2      ARG  36   0.954   4.760  10.375
  279    H    VAL  37           H        VAL  37  -4.686   0.348   5.283
  280    HA   VAL  37           HA       VAL  37  -3.661   0.906   2.641
  281    HB   VAL  37           HB       VAL  37  -6.496   0.707   3.691
  282   1HG1  VAL  37          1HG1      VAL  37  -6.350   2.348   1.872
  283   2HG1  VAL  37          2HG1      VAL  37  -7.188   0.877   1.360
  284   3HG1  VAL  37          3HG1      VAL  37  -5.497   1.145   0.899
  285   1HG2  VAL  37          1HG2      VAL  37  -6.563  -1.280   2.289
  286   2HG2  VAL  37          2HG2      VAL  37  -5.299  -1.395   3.515
  287   3HG2  VAL  37          3HG2      VAL  37  -4.877  -1.025   1.843
  288    H    PHE  38           H        PHE  38  -3.069   2.800   2.120
  289    HA   PHE  38           HA       PHE  38  -4.182   5.168   3.487
  290   1HB   PHE  38          2HB       PHE  38  -1.665   4.848   1.870
  291   2HB   PHE  38          1HB       PHE  38  -2.201   6.364   2.579
  292    HD1  PHE  38           1HD      PHE  38  -0.748   3.054   3.243
  293    HD2  PHE  38           2HD      PHE  38  -1.895   6.782   4.933
  294    HE1  PHE  38           1HE      PHE  38   0.536   2.530   5.273
  295    HE2  PHE  38           2HE      PHE  38  -0.617   6.252   6.963
  296    HZ   PHE  38           HZ       PHE  38   0.601   4.130   7.132
  297    H    ASP  39           H        ASP  39  -5.075   6.793   2.274
  298    HA   ASP  39           HA       ASP  39  -5.796   6.081  -0.464
  299   1HB   ASP  39          2HB       ASP  39  -7.591   6.972   0.992
  300   2HB   ASP  39          1HB       ASP  39  -6.672   8.456   1.202
  301    H    VAL  40           H        VAL  40  -4.603   6.670  -2.062
  302    HA   VAL  40           HA       VAL  40  -2.948   9.082  -1.786
  303    HB   VAL  40           HB       VAL  40  -1.508   8.079  -3.602
  304   1HG1  VAL  40          1HG1      VAL  40  -1.717   6.479  -1.049
  305   2HG1  VAL  40          2HG1      VAL  40  -0.814   7.993  -1.294
  306   3HG1  VAL  40          3HG1      VAL  40  -0.346   6.535  -2.170
  307   1HG2  VAL  40          1HG2      VAL  40  -1.633   5.671  -3.965
  308   2HG2  VAL  40          2HG2      VAL  40  -3.094   6.499  -4.497
  309   3HG2  VAL  40          3HG2      VAL  40  -3.093   5.602  -2.976
  310    H    THR  41           H        THR  41  -5.763   8.702  -2.737
  311    HA   THR  41           HA       THR  41  -5.893   9.044  -5.515
  312    HB   THR  41           HB       THR  41  -7.805  10.101  -3.416
  313    HG1  THR  41           1HG      THR  41  -8.026   8.001  -3.004
  314   1HG2  THR  41          1HG2      THR  41  -8.247   9.278  -6.297
  315   2HG2  THR  41          2HG2      THR  41  -8.230  10.934  -5.697
  316   3HG2  THR  41          3HG2      THR  41  -9.502   9.822  -5.183
  317    H    THR  42           H        THR  42  -5.257  11.263  -2.878
  318    HA   THR  42           HA       THR  42  -5.603  13.666  -4.338
  319    HB   THR  42           HB       THR  42  -5.648  13.612  -1.845
  320    HG1  THR  42           1HG      THR  42  -4.593  15.419  -3.326
  321   1HG2  THR  42          1HG2      THR  42  -3.550  13.452  -0.567
  322   2HG2  THR  42          2HG2      THR  42  -2.667  13.132  -2.058
  323   3HG2  THR  42          3HG2      THR  42  -3.847  11.964  -1.470
  324    H    GLY  43           H        GLY  43  -3.111  11.309  -4.222
  325   1HA   GLY  43          2HA       GLY  43  -1.251  13.108  -5.603
  326   2HA   GLY  43          1HA       GLY  43  -0.765  11.713  -4.647
  327    H    LYS  44           H        LYS  44  -3.407  11.976  -7.022
  328    HA   LYS  44           HA       LYS  44  -3.127   9.510  -8.114
  329   1HB   LYS  44          2HB       LYS  44  -5.026  11.020  -8.251
  330   2HB   LYS  44          1HB       LYS  44  -4.122  12.043  -9.359
  331   1HG   LYS  44          2HG       LYS  44  -3.959  10.111 -10.895
  332   2HG   LYS  44          1HG       LYS  44  -5.005   9.234  -9.795
  333   1HD   LYS  44          2HD       LYS  44  -5.691  11.773 -11.237
  334   2HD   LYS  44          1HD       LYS  44  -6.197  10.103 -11.556
  335   1HE   LYS  44          2HE       LYS  44  -7.395   9.993  -9.466
  336   2HE   LYS  44          1HE       LYS  44  -6.821  11.594  -9.006
  337   1HZ   LYS  44          1HZ       LYS  44  -8.055  12.518 -10.865
  338   2HZ   LYS  44          2HZ       LYS  44  -9.084  11.670  -9.840
  339   3HZ   LYS  44          3HZ       LYS  44  -8.593  10.981 -11.291
  340    H    SER  45           H        SER  45  -1.578  12.552  -9.023
  341    HA   SER  45           HA       SER  45  -0.571  11.799 -11.519
  342   1HB   SER  45          2HB       SER  45   0.538  13.784  -9.535
  343   2HB   SER  45          1HB       SER  45   0.861  13.738 -11.271
  344    HG   SER  45           HG       SER  45  -1.623  13.785 -11.288
  345    H    PHE  46           H        PHE  46   0.448  10.967  -8.336
  346    HA   PHE  46           HA       PHE  46   3.083  10.167  -9.280
  347   1HB   PHE  46          2HB       PHE  46   1.937  10.276  -6.492
  348   2HB   PHE  46          1HB       PHE  46   3.567   9.750  -6.879
  349    HD1  PHE  46           1HD      PHE  46   1.331  12.597  -6.507
  350    HD2  PHE  46           2HD      PHE  46   5.227  11.359  -7.690
  351    HE1  PHE  46           1HE      PHE  46   2.107  14.931  -6.387
  352    HE2  PHE  46           2HE      PHE  46   6.008  13.687  -7.570
  353    HZ   PHE  46           HZ       PHE  46   4.447  15.476  -6.917
  354    H    TYR  47           H        TYR  47   0.081   8.810  -8.016
  355    HA   TYR  47           HA       TYR  47   1.301   6.172  -8.145
  356   1HB   TYR  47          2HB       TYR  47  -1.255   7.076  -6.833
  357   2HB   TYR  47          1HB       TYR  47  -0.630   5.427  -6.789
  358    HD1  TYR  47           1HD      TYR  47   1.084   4.825  -5.232
  359    HD2  TYR  47           2HD      TYR  47   0.049   8.908  -5.763
  360    HE1  TYR  47           1HE      TYR  47   2.469   5.434  -3.288
  361    HE2  TYR  47           2HE      TYR  47   1.415   9.524  -3.837
  362    HH   TYR  47           HH       TYR  47   3.624   7.387  -2.397
  363    H    GLY  48           H        GLY  48  -1.932   7.539  -9.077
  364   1HA   GLY  48          2HA       GLY  48  -2.547   5.100 -10.469
  365   2HA   GLY  48          1HA       GLY  48  -3.551   6.507 -10.315
  366    H    SER  49           H        SER  49  -1.467   8.309 -11.500
  367    HA   SER  49           HA       SER  49  -2.362   7.763 -14.198
  368   1HB   SER  49          2HB       SER  49  -0.975  10.167 -13.015
  369   2HB   SER  49          1HB       SER  49  -1.664  10.067 -14.640
  370    HG   SER  49           HG       SER  49  -3.638   9.373 -13.349
  371    H    GLY  50           H        GLY  50  -0.111   6.274 -12.896
  372   1HA   GLY  50          2HA       GLY  50   1.800   5.269 -13.737
  373   2HA   GLY  50          1HA       GLY  50   1.644   6.283 -15.169
  374    H    GLY  51           H        GLY  51   2.081   6.951 -11.735
  375   1HA   GLY  51          2HA       GLY  51   4.009   8.980 -12.427
  376   2HA   GLY  51          1HA       GLY  51   3.311   8.701 -10.851
  377    H    ASP  52           H        ASP  52   5.601   8.931 -10.142
  378    HA   ASP  52           HA       ASP  52   7.496   6.857 -10.708
  379   1HB   ASP  52          2HB       ASP  52   8.174   9.115 -10.037
  380   2HB   ASP  52          1HB       ASP  52   7.419   8.890  -8.468
  381    H    TYR  53           H        TYR  53   4.802   7.049  -8.735
  382    HA   TYR  53           HA       TYR  53   5.682   4.792  -7.076
  383   1HB   TYR  53          2HB       TYR  53   3.680   6.979  -6.502
  384   2HB   TYR  53          1HB       TYR  53   3.915   5.566  -5.489
  385    HD1  TYR  53           1HD      TYR  53   5.759   5.426  -3.984
  386    HD2  TYR  53           2HD      TYR  53   5.454   8.708  -6.668
  387    HE1  TYR  53           1HE      TYR  53   7.498   6.605  -2.727
  388    HE2  TYR  53           2HE      TYR  53   7.201   9.902  -5.414
  389    HH   TYR  53           HH       TYR  53   9.145   8.385  -3.047
  390    H    SER  54           H        SER  54   4.507   4.811  -9.789
  391    HA   SER  54           HA       SER  54   1.743   4.291  -9.718
  392   1HB   SER  54          2HB       SER  54   3.005   4.959 -11.763
  393   2HB   SER  54          1HB       SER  54   3.739   3.355 -11.767
  394    HG   SER  54           HG       SER  54   0.983   3.398 -11.630
  395    H    MET  55           H        MET  55   4.518   2.189  -9.229
  396    HA   MET  55           HA       MET  55   3.121  -0.271  -9.655
  397   1HB   MET  55          2HB       MET  55   5.646   0.195  -8.073
  398   2HB   MET  55          1HB       MET  55   5.040  -1.353  -8.629
  399   1HG   MET  55          2HG       MET  55   6.052   0.907 -10.299
  400   2HG   MET  55          1HG       MET  55   6.837  -0.614  -9.993
  401   1HE   MET  55          1HE       MET  55   7.237  -1.015 -12.548
  402   2HE   MET  55          2HE       MET  55   6.425   0.501 -12.948
  403   3HE   MET  55          3HE       MET  55   5.969  -0.990 -13.771
  404    H    PHE  56           H        PHE  56   3.206   1.935  -7.126
  405    HA   PHE  56           HA       PHE  56   2.718   0.073  -4.978
  406   1HB   PHE  56          2HB       PHE  56   2.654   3.097  -5.066
  407   2HB   PHE  56          1HB       PHE  56   2.515   2.125  -3.609
  408    HD1  PHE  56           1HD      PHE  56   4.429   1.419  -2.477
  409    HD2  PHE  56           2HD      PHE  56   4.812   2.952  -6.413
  410    HE1  PHE  56           1HE      PHE  56   6.849   1.423  -2.228
  411    HE2  PHE  56           2HE      PHE  56   7.252   2.967  -6.182
  412    HZ   PHE  56           HZ       PHE  56   8.288   2.199  -4.082
  413    H    ALA  57           H        ALA  57   0.901   1.783  -7.297
  414    HA   ALA  57           HA       ALA  57  -1.429   2.329  -5.827
  415   1HB   ALA  57          1HB       ALA  57  -2.512   2.712  -7.968
  416   2HB   ALA  57          2HB       ALA  57  -1.189   1.899  -8.801
  417   3HB   ALA  57          3HB       ALA  57  -0.899   3.421  -7.962
  418    H    GLY  58           H        GLY  58  -2.730   1.006  -4.903
  419   1HA   GLY  58          2HA       GLY  58  -4.051  -0.637  -4.399
  420   2HA   GLY  58          1HA       GLY  58  -4.344  -1.020  -6.043
  421    H    LYS  59           H        LYS  59  -1.174  -1.297  -4.193
  422    HA   LYS  59           HA       LYS  59  -1.727  -4.047  -3.953
  423   1HB   LYS  59          2HB       LYS  59  -0.441  -3.634  -6.098
  424   2HB   LYS  59          1HB       LYS  59   0.705  -2.769  -5.123
  425   1HG   LYS  59          2HG       LYS  59   1.345  -4.642  -3.954
  426   2HG   LYS  59          1HG       LYS  59   0.009  -5.586  -4.619
  427   1HD   LYS  59          2HD       LYS  59   2.160  -4.340  -6.252
  428   2HD   LYS  59          1HD       LYS  59   2.155  -5.951  -5.514
  429   1HE   LYS  59          2HE       LYS  59   0.134  -6.531  -6.808
  430   2HE   LYS  59          1HE       LYS  59   0.117  -4.918  -7.512
  431   1HZ   LYS  59          1HZ       LYS  59   2.229  -6.959  -7.918
  432   2HZ   LYS  59          2HZ       LYS  59   2.233  -5.405  -8.563
  433   3HZ   LYS  59          3HZ       LYS  59   1.059  -6.501  -9.045
  434    H    ASP  60           H        ASP  60  -0.524  -4.861  -2.135
  435    HA   ASP  60           HA       ASP  60   0.355  -2.835  -0.283
  436   1HB   ASP  60          2HB       ASP  60  -0.684  -5.010   0.502
  437   2HB   ASP  60          1HB       ASP  60   0.750  -5.840  -0.096
  438    H    ALA  61           H        ALA  61   2.273  -2.063  -0.172
  439    HA   ALA  61           HA       ALA  61   4.271  -3.217  -2.001
  440   1HB   ALA  61          1HB       ALA  61   5.006  -0.947  -2.421
  441   2HB   ALA  61          2HB       ALA  61   3.794  -0.347  -1.292
  442   3HB   ALA  61          3HB       ALA  61   3.291  -1.141  -2.783
  443    H    SER  62           H        SER  62   3.905  -3.666   0.957
  444    HA   SER  62           HA       SER  62   5.703  -2.185   2.467
  445   1HB   SER  62          2HB       SER  62   5.037  -5.117   2.788
  446   2HB   SER  62          1HB       SER  62   5.726  -4.067   4.032
  447    HG   SER  62           HG       SER  62   3.211  -3.961   2.793
  448    H    ARG  63           H        ARG  63   6.322  -5.088   0.516
  449    HA   ARG  63           HA       ARG  63   9.047  -5.314   1.243
  450   1HB   ARG  63          2HB       ARG  63   7.864  -7.217   0.376
  451   2HB   ARG  63          1HB       ARG  63   7.492  -6.371  -1.111
  452   1HG   ARG  63          2HG       ARG  63   9.893  -6.363  -1.680
  453   2HG   ARG  63          1HG       ARG  63  10.218  -7.273  -0.202
  454   1HD   ARG  63          2HD       ARG  63   8.949  -9.134  -0.976
  455   2HD   ARG  63          1HD       ARG  63   8.315  -8.204  -2.333
  456    HE   ARG  63           HE       ARG  63  11.054  -8.190  -2.622
  457   1HH1  ARG  63          1HH1      ARG  63   8.551 -10.716  -2.527
  458   2HH1  ARG  63          2HH1      ARG  63   9.370 -11.710  -3.626
  459   1HH2  ARG  63          1HH2      ARG  63  12.100  -9.515  -4.107
  460   2HH2  ARG  63          2HH2      ARG  63  11.430 -11.023  -4.576
  461    H    ALA  64           H        ALA  64   7.374  -3.473  -1.191
  462    HA   ALA  64           HA       ALA  64   9.644  -3.014  -2.887
  463   1HB   ALA  64          1HB       ALA  64   7.407  -2.907  -3.836
  464   2HB   ALA  64          2HB       ALA  64   8.187  -1.333  -3.988
  465   3HB   ALA  64          3HB       ALA  64   6.981  -1.603  -2.731
  466    H    LEU  65           H        LEU  65   8.015  -1.474  -0.311
  467    HA   LEU  65           HA       LEU  65   9.337   0.984  -0.250
  468   1HB   LEU  65          2HB       LEU  65   8.148  -0.748   1.853
  469   2HB   LEU  65          1HB       LEU  65   8.685   0.882   2.168
  470    HG   LEU  65           HG       LEU  65   6.428   0.032   0.341
  471   1HD1  LEU  65          1HD1      LEU  65   6.435   1.502   2.973
  472   2HD1  LEU  65          2HD1      LEU  65   5.860  -0.147   2.690
  473   3HD1  LEU  65          3HD1      LEU  65   5.059   1.222   1.920
  474   1HD2  LEU  65          1HD2      LEU  65   7.386   2.734   1.104
  475   2HD2  LEU  65          2HD2      LEU  65   5.964   2.395   0.129
  476   3HD2  LEU  65          3HD2      LEU  65   7.596   2.018  -0.489
  477    H    GLY  66           H        GLY  66  10.039  -2.091   1.378
  478   1HA   GLY  66          2HA       GLY  66  12.370  -1.119   2.684
  479   2HA   GLY  66          1HA       GLY  66  11.941  -2.810   2.495
  480    H    LYS  67           H        LYS  67  11.832  -2.798  -0.351
  481    HA   LYS  67           HA       LYS  67  14.618  -3.155  -0.886
  482   1HB   LYS  67          2HB       LYS  67  12.261  -3.370  -2.756
  483   2HB   LYS  67          1HB       LYS  67  13.872  -3.984  -3.069
  484   1HG   LYS  67          2HG       LYS  67  11.994  -4.912  -0.913
  485   2HG   LYS  67          1HG       LYS  67  12.298  -5.784  -2.400
  486   1HD   LYS  67          2HD       LYS  67  14.296  -5.164  -0.206
  487   2HD   LYS  67          1HD       LYS  67  13.541  -6.728  -0.502
  488   1HE   LYS  67          2HE       LYS  67  15.298  -5.281  -2.462
  489   2HE   LYS  67          1HE       LYS  67  15.858  -6.491  -1.314
  490   1HZ   LYS  67          1HZ       LYS  67  13.780  -7.040  -3.399
  491   2HZ   LYS  67          2HZ       LYS  67  14.571  -8.140  -2.393
  492   3HZ   LYS  67          3HZ       LYS  67  15.436  -7.315  -3.571
  493    H    MET  68           H        MET  68  12.251  -0.727  -1.563
  494    HA   MET  68           HA       MET  68  12.358   1.404  -2.323
  495   1HB   MET  68          2HB       MET  68  15.335   0.938  -2.702
  496   2HB   MET  68          1HB       MET  68  14.512   2.479  -2.874
  497   1HG   MET  68          2HG       MET  68  13.885   2.317  -0.457
  498   2HG   MET  68          1HG       MET  68  14.868   0.872  -0.372
  499   1HE   MET  68          1HE       MET  68  14.958   4.730  -1.196
  500   2HE   MET  68          2HE       MET  68  15.758   4.029  -2.609
  501   3HE   MET  68          3HE       MET  68  16.678   4.985  -1.458
  502    H    SER  69           H        SER  69  11.979  -0.951  -3.750
  503    HA   SER  69           HA       SER  69  12.898  -0.360  -6.509
  504   1HB   SER  69          2HB       SER  69  12.083  -2.938  -5.192
  505   2HB   SER  69          1HB       SER  69  12.702  -2.726  -6.820
  506    HG   SER  69           HG       SER  69  14.385  -1.646  -5.014
  507    H    LYS  70           H        LYS  70  11.678  -0.482  -8.061
  508    HA   LYS  70           HA       LYS  70   8.827  -0.106  -7.596
  509   1HB   LYS  70          2HB       LYS  70  10.689   0.600  -9.836
  510   2HB   LYS  70          1HB       LYS  70   8.975   0.998  -9.764
  511   1HG   LYS  70          2HG       LYS  70   9.256   2.499  -8.031
  512   2HG   LYS  70          1HG       LYS  70  10.830   1.836  -7.592
  513   1HD   LYS  70          2HD       LYS  70  11.815   2.691  -9.541
  514   2HD   LYS  70          1HD       LYS  70  10.251   3.144 -10.192
  515   1HE   LYS  70          2HE       LYS  70  11.423   5.129  -9.346
  516   2HE   LYS  70          1HE       LYS  70  10.032   4.791  -8.320
  517   1HZ   LYS  70          1HZ       LYS  70  11.955   5.304  -7.001
  518   2HZ   LYS  70          2HZ       LYS  70  12.854   4.111  -7.765
  519   3HZ   LYS  70          3HZ       LYS  70  11.565   3.672  -6.766
  520    H    ASN  71           H        ASN  71  11.240  -2.145  -8.985
  521    HA   ASN  71           HA       ASN  71   9.802  -3.376 -10.981
  522   1HB   ASN  71          2HB       ASN  71  11.276  -5.426 -10.514
  523   2HB   ASN  71          1HB       ASN  71  12.131  -3.924 -10.892
  524   1HD2  ASN  71          1HD2      ASN  71  11.328  -6.249  -8.547
  525   2HD2  ASN  71          2HD2      ASN  71  12.472  -5.805  -7.345
  526    H    GLU  72           H        GLU  72   8.300  -4.834 -11.127
  527    HA   GLU  72           HA       GLU  72   6.371  -4.874  -9.136
  528   1HB   GLU  72          2HB       GLU  72   6.575  -6.660 -11.547
  529   2HB   GLU  72          1HB       GLU  72   5.126  -6.385 -10.587
  530   1HG   GLU  72          2HG       GLU  72   5.186  -4.015 -11.204
  531   2HG   GLU  72          1HG       GLU  72   6.614  -4.317 -12.187
  532    H    GLU  73           H        GLU  73   8.936  -7.122  -9.657
  533    HA   GLU  73           HA       GLU  73   7.741  -9.309  -8.305
  534   1HB   GLU  73          2HB       GLU  73  10.005 -10.259  -8.079
  535   2HB   GLU  73          1HB       GLU  73   9.720  -9.672  -9.708
  536   1HG   GLU  73          2HG       GLU  73  11.052  -7.764  -9.309
  537   2HG   GLU  73          1HG       GLU  73  11.209  -8.151  -7.592
  538    H    ASP  74           H        ASP  74   9.431  -6.462  -7.170
  539    HA   ASP  74           HA       ASP  74   9.501  -7.555  -4.494
  540   1HB   ASP  74          2HB       ASP  74  10.754  -5.068  -5.630
  541   2HB   ASP  74          1HB       ASP  74  10.620  -5.318  -3.896
  542    H    VAL  75           H        VAL  75   7.251  -5.965  -6.259
  543    HA   VAL  75           HA       VAL  75   6.303  -4.427  -3.958
  544    HB   VAL  75           HB       VAL  75   4.687  -4.934  -6.465
  545   1HG1  VAL  75          1HG1      VAL  75   4.749  -2.645  -4.527
  546   2HG1  VAL  75          2HG1      VAL  75   3.497  -3.886  -4.641
  547   3HG1  VAL  75          3HG1      VAL  75   3.749  -2.730  -5.967
  548   1HG2  VAL  75          1HG2      VAL  75   6.841  -4.103  -7.237
  549   2HG2  VAL  75          2HG2      VAL  75   6.685  -2.713  -6.138
  550   3HG2  VAL  75          3HG2      VAL  75   5.527  -2.944  -7.461
  551    H    SER  76           H        SER  76   5.644  -5.681  -2.361
  552    HA   SER  76           HA       SER  76   3.511  -7.557  -2.759
  553   1HB   SER  76          2HB       SER  76   5.511  -8.851  -3.455
  554   2HB   SER  76          1HB       SER  76   6.251  -8.503  -1.907
  555    HG   SER  76           HG       SER  76   4.164 -10.228  -2.524
  556    HA   PRO  77           HA       PRO  77   3.064  -6.531   1.630
  557   1HB   PRO  77          2HB       PRO  77   1.550  -8.669   2.399
  558   2HB   PRO  77          1HB       PRO  77   0.882  -7.293   1.518
  559   1HG   PRO  77          2HG       PRO  77   1.728  -9.971   0.492
  560   2HG   PRO  77          1HG       PRO  77   0.292  -9.017   0.076
  561   1HD   PRO  77          2HD       PRO  77   2.474  -9.113  -1.506
  562   2HD   PRO  77          1HD       PRO  77   1.468  -7.656  -1.372
  563    H    SER  78           H        SER  78   4.352  -9.461   0.378
  564    HA   SER  78           HA       SER  78   5.199 -10.678   2.893
  565   1HB   SER  78          2HB       SER  78   4.608 -11.955   0.736
  566   2HB   SER  78          1HB       SER  78   6.076 -11.194   0.100
  567    HG   SER  78           HG       SER  78   6.912 -12.993   0.800
  568    H    LEU  79           H        LEU  79   6.948 -10.560   3.898
  569    HA   LEU  79           HA       LEU  79   8.889  -8.732   2.794
  570   1HB   LEU  79          2HB       LEU  79   8.286  -9.219   5.716
  571   2HB   LEU  79          1HB       LEU  79   9.482  -8.142   5.038
  572    HG   LEU  79           HG       LEU  79   6.499  -7.846   4.906
  573   1HD1  LEU  79          1HD1      LEU  79   6.894  -5.739   6.079
  574   2HD1  LEU  79          2HD1      LEU  79   8.601  -6.092   6.162
  575   3HD1  LEU  79          3HD1      LEU  79   7.447  -7.125   7.015
  576   1HD2  LEU  79          1HD2      LEU  79   6.906  -5.781   3.637
  577   2HD2  LEU  79          2HD2      LEU  79   7.386  -7.237   2.774
  578   3HD2  LEU  79          3HD2      LEU  79   8.618  -6.211   3.517
  579    H    GLU  80           H        GLU  80   9.782 -10.354   1.753
  580    HA   GLU  80           HA       GLU  80  11.177 -12.290   3.403
  581   1HB   GLU  80          2HB       GLU  80  10.845 -13.900   1.590
  582   2HB   GLU  80          1HB       GLU  80   9.351 -13.318   2.246
  583   1HG   GLU  80          2HG       GLU  80   9.024 -11.810   0.409
  584   2HG   GLU  80          1HG       GLU  80  10.556 -12.293  -0.307
  585    H    GLY  81           H        GLY  81  13.283 -12.443   3.047
  586   1HA   GLY  81          2HA       GLY  81  15.334 -12.153   1.958
  587   2HA   GLY  81          1HA       GLY  81  14.505 -11.238   0.686
  588    H    LEU  82           H        LEU  82  13.630 -10.637   3.836
  589    HA   LEU  82           HA       LEU  82  15.113  -8.105   3.952
  590   1HB   LEU  82          2HB       LEU  82  12.243  -8.641   4.583
  591   2HB   LEU  82          1HB       LEU  82  13.107  -7.191   5.015
  592    HG   LEU  82           HG       LEU  82  12.496  -8.101   2.187
  593   1HD1  LEU  82          1HD1      LEU  82  10.541  -7.370   3.427
  594   2HD1  LEU  82          2HD1      LEU  82  11.013  -6.147   2.220
  595   3HD1  LEU  82          3HD1      LEU  82  11.435  -5.931   3.936
  596   1HD2  LEU  82          1HD2      LEU  82  13.319  -5.962   1.508
  597   2HD2  LEU  82          2HD2      LEU  82  14.603  -6.737   2.463
  598   3HD2  LEU  82          3HD2      LEU  82  13.549  -5.499   3.178
  599    H    THR  83           H        THR  83  16.332  -8.035   5.289
  600    HA   THR  83           HA       THR  83  16.317  -9.475   7.786
  601    HB   THR  83           HB       THR  83  18.048  -7.179   7.065
  602    HG1  THR  83           1HG      THR  83  19.134  -8.535   5.500
  603   1HG2  THR  83          1HG2      THR  83  18.394  -8.661   8.953
  604   2HG2  THR  83          2HG2      THR  83  19.720  -8.758   7.742
  605   3HG2  THR  83          3HG2      THR  83  18.433 -10.002   7.793
  606    H    GLU  84           H        GLU  84  16.697  -8.090   9.710
  607    HA   GLU  84           HA       GLU  84  14.316  -6.697  10.032
  608   1HB   GLU  84          2HB       GLU  84  14.936  -6.271  12.259
  609   2HB   GLU  84          1HB       GLU  84  15.434  -7.885  11.863
  610   1HG   GLU  84          2HG       GLU  84  17.243  -5.514  11.947
  611   2HG   GLU  84          1HG       GLU  84  17.105  -6.696  13.252
  612    H    LYS  85           H        LYS  85  17.599  -5.432   9.510
  613    HA   LYS  85           HA       LYS  85  16.771  -2.704   9.798
  614   1HB   LYS  85          2HB       LYS  85  18.814  -1.948   8.734
  615   2HB   LYS  85          1HB       LYS  85  19.218  -3.278   9.789
  616   1HG   LYS  85          2HG       LYS  85  18.800  -3.606   6.843
  617   2HG   LYS  85          1HG       LYS  85  20.363  -3.155   7.510
  618   1HD   LYS  85          2HD       LYS  85  18.854  -5.676   8.225
  619   2HD   LYS  85          1HD       LYS  85  20.032  -5.594   6.935
  620   1HE   LYS  85          2HE       LYS  85  21.166  -6.499   8.860
  621   2HE   LYS  85          1HE       LYS  85  21.762  -4.873   8.601
  622   1HZ   LYS  85          1HZ       LYS  85  21.376  -5.398  10.923
  623   2HZ   LYS  85          2HZ       LYS  85  19.755  -5.665  10.661
  624   3HZ   LYS  85          3HZ       LYS  85  20.416  -4.108  10.486
  625    H    GLU  86           H        GLU  86  16.485  -4.962   7.219
  626    HA   GLU  86           HA       GLU  86  16.117  -3.187   5.071
  627   1HB   GLU  86          2HB       GLU  86  15.512  -6.014   5.701
  628   2HB   GLU  86          1HB       GLU  86  15.114  -5.376   4.145
  629   1HG   GLU  86          2HG       GLU  86  17.853  -5.605   5.405
  630   2HG   GLU  86          1HG       GLU  86  17.220  -6.609   4.107
  631    H    ILE  87           H        ILE  87  14.105  -4.966   7.308
  632    HA   ILE  87           HA       ILE  87  11.616  -4.141   6.272
  633    HB   ILE  87           HB       ILE  87  12.374  -5.018   9.046
  634   1HG1  ILE  87          2HG1      ILE  87  11.210  -6.616   6.762
  635   2HG1  ILE  87          1HG1      ILE  87  12.886  -6.660   7.285
  636   1HG2  ILE  87          1HG2      ILE  87   9.975  -5.546   9.253
  637   2HG2  ILE  87          2HG2      ILE  87   9.760  -4.876   7.615
  638   3HG2  ILE  87          3HG2      ILE  87  10.282  -3.817   8.940
  639   1HD1  ILE  87          1HD1      ILE  87  10.514  -7.407   8.948
  640   2HD1  ILE  87          2HD1      ILE  87  12.209  -7.481   9.451
  641   3HD1  ILE  87          3HD1      ILE  87  11.618  -8.555   8.167
  642    H    ASN  88           H        ASN  88  13.701  -2.977   8.887
  643    HA   ASN  88           HA       ASN  88  12.195  -0.862   9.862
  644   1HB   ASN  88          2HB       ASN  88  15.112  -1.357   9.705
  645   2HB   ASN  88          1HB       ASN  88  14.534   0.262  10.092
  646   1HD2  ASN  88          1HD2      ASN  88  14.633  -3.086  11.143
  647   2HD2  ASN  88          2HD2      ASN  88  14.211  -2.785  12.783
  648    H    THR  89           H        THR  89  14.075  -1.062   6.991
  649    HA   THR  89           HA       THR  89  14.190   1.621   6.304
  650    HB   THR  89           HB       THR  89  13.971  -0.818   4.523
  651    HG1  THR  89           1HG      THR  89  15.792  -0.629   6.137
  652   1HG2  THR  89          1HG2      THR  89  15.019   1.938   4.005
  653   2HG2  THR  89          2HG2      THR  89  13.532   1.239   3.330
  654   3HG2  THR  89          3HG2      THR  89  15.115   0.590   2.857
  655    H    LEU  90           H        LEU  90  11.670  -0.856   5.733
  656    HA   LEU  90           HA       LEU  90  10.079   0.861   4.064
  657   1HB   LEU  90          2HB       LEU  90   8.900  -0.961   3.595
  658   2HB   LEU  90          1HB       LEU  90  10.134  -1.874   4.407
  659    HG   LEU  90           HG       LEU  90   8.498  -1.168   6.448
  660   1HD1  LEU  90          1HD1      LEU  90   6.183  -1.578   5.842
  661   2HD1  LEU  90          2HD1      LEU  90   6.657  -1.545   4.145
  662   3HD1  LEU  90          3HD1      LEU  90   6.864  -0.105   5.144
  663   1HD2  LEU  90          1HD2      LEU  90   9.328  -3.387   6.095
  664   2HD2  LEU  90          2HD2      LEU  90   8.172  -3.600   4.747
  665   3HD2  LEU  90          3HD2      LEU  90   7.588  -3.372   6.409
  666    H    ASN  91           H        ASN  91  10.318  -0.134   7.343
  667    HA   ASN  91           HA       ASN  91   7.978   0.894   8.390
  668   1HB   ASN  91          2HB       ASN  91  10.712   0.573   9.571
  669   2HB   ASN  91          1HB       ASN  91   9.432   1.319  10.482
  670   1HD2  ASN  91          1HD2      ASN  91   8.987  -1.475   8.269
  671   2HD2  ASN  91          2HD2      ASN  91   8.572  -2.559   9.529
  672    H    ASP  92           H        ASP  92  10.990   2.620   7.696
  673    HA   ASP  92           HA       ASP  92  10.062   5.244   8.479
  674   1HB   ASP  92          2HB       ASP  92  12.450   4.847   8.232
  675   2HB   ASP  92          1HB       ASP  92  12.220   4.345   6.564
  676    H    TRP  93           H        TRP  93   9.855   3.351   5.609
  677    HA   TRP  93           HA       TRP  93   8.720   5.325   3.924
  678   1HB   TRP  93          2HB       TRP  93   8.961   2.425   3.956
  679   2HB   TRP  93          1HB       TRP  93   7.880   3.070   2.778
  680    HD1  TRP  93           HD       TRP  93  11.544   2.576   3.605
  681    HE1  TRP  93           1HE      TRP  93  13.041   3.358   1.674
  682    HE3  TRP  93           3HE      TRP  93   8.018   4.909   0.749
  683    HZ2  TRP  93           2HZ      TRP  93  12.768   4.760  -0.754
  684    HZ3  TRP  93           3HZ      TRP  93   8.714   5.938  -1.362
  685    HH2  TRP  93           HH       TRP  93  11.043   5.871  -2.102
  686    H    GLU  94           H        GLU  94   7.264   3.158   6.229
  687    HA   GLU  94           HA       GLU  94   4.578   3.594   5.598
  688   1HB   GLU  94          2HB       GLU  94   5.821   3.513   8.353
  689   2HB   GLU  94          1HB       GLU  94   4.111   3.355   8.011
  690   1HG   GLU  94          2HG       GLU  94   4.486   1.349   6.858
  691   2HG   GLU  94          1HG       GLU  94   6.235   1.420   7.085
  692    H    THR  95           H        THR  95   6.677   5.315   7.709
  693    HA   THR  95           HA       THR  95   5.182   7.395   8.653
  694    HB   THR  95           HB       THR  95   8.091   7.436   7.942
  695    HG1  THR  95           1HG      THR  95   6.514   5.969   9.681
  696   1HG2  THR  95          1HG2      THR  95   7.182   9.568   8.819
  697   2HG2  THR  95          2HG2      THR  95   8.288   8.824   9.974
  698   3HG2  THR  95          3HG2      THR  95   6.545   8.717  10.228
  699    H    LYS  96           H        LYS  96   6.590   7.035   5.512
  700    HA   LYS  96           HA       LYS  96   6.666   9.820   4.816
  701   1HB   LYS  96          2HB       LYS  96   6.928   7.307   3.163
  702   2HB   LYS  96          1HB       LYS  96   7.323   8.943   2.624
  703   1HG   LYS  96          2HG       LYS  96   8.548   7.697   5.017
  704   2HG   LYS  96          1HG       LYS  96   9.317   7.479   3.478
  705   1HD   LYS  96          2HD       LYS  96   9.446   9.977   3.301
  706   2HD   LYS  96          1HD       LYS  96   8.734  10.082   4.913
  707   1HE   LYS  96          2HE       LYS  96  10.588   8.897   5.855
  708   2HE   LYS  96          1HE       LYS  96  11.304   8.632   4.278
  709   1HZ   LYS  96          1HZ       LYS  96  10.923  11.260   5.625
  710   2HZ   LYS  96          2HZ       LYS  96  11.541  11.055   4.067
  711   3HZ   LYS  96          3HZ       LYS  96  12.373  10.443   5.383
  712    H    PHE  97           H        PHE  97   4.669   7.062   4.372
  713    HA   PHE  97           HA       PHE  97   2.725   8.446   2.808
  714   1HB   PHE  97          2HB       PHE  97   2.950   5.722   4.009
  715   2HB   PHE  97          1HB       PHE  97   1.454   6.250   3.282
  716    HD1  PHE  97           1HD      PHE  97   5.081   5.765   2.580
  717    HD2  PHE  97           2HD      PHE  97   1.158   6.020   0.970
  718    HE1  PHE  97           1HE      PHE  97   5.936   5.037   0.391
  719    HE2  PHE  97           2HE      PHE  97   2.002   5.300  -1.216
  720    HZ   PHE  97           HZ       PHE  97   4.397   4.804  -1.511
  721    H    GLU  98           H        GLU  98   3.140   7.323   6.085
  722    HA   GLU  98           HA       GLU  98   0.641   7.729   7.209
  723   1HB   GLU  98          2HB       GLU  98   3.372   7.953   8.357
  724   2HB   GLU  98          1HB       GLU  98   2.020   8.036   9.413
  725   1HG   GLU  98          2HG       GLU  98   1.393   5.700   8.584
  726   2HG   GLU  98          1HG       GLU  98   2.887   5.661   7.745
  727    H    ALA  99           H        ALA  99   2.981  10.158   6.360
  728    HA   ALA  99           HA       ALA  99   1.534  12.139   7.972
  729   1HB   ALA  99          1HB       ALA  99   4.174  12.397   6.555
  730   2HB   ALA  99          2HB       ALA  99   3.966  12.028   8.263
  731   3HB   ALA  99          3HB       ALA  99   3.444  13.591   7.626
  732    H    LYS 100           H        LYS 100   1.575  10.958   4.847
  733    HA   LYS 100           HA       LYS 100   0.897  13.578   3.756
  734   1HB   LYS 100          2HB       LYS 100   2.268  11.234   2.496
  735   2HB   LYS 100          1HB       LYS 100   1.386  12.383   1.522
  736   1HG   LYS 100          2HG       LYS 100   3.722  12.890   1.491
  737   2HG   LYS 100          1HG       LYS 100   2.835  14.165   2.319
  738   1HD   LYS 100          2HD       LYS 100   3.579  13.265   4.460
  739   2HD   LYS 100          1HD       LYS 100   4.444  11.977   3.613
  740   1HE   LYS 100          2HE       LYS 100   4.892  14.905   3.258
  741   2HE   LYS 100          1HE       LYS 100   5.931  13.855   4.238
  742   1HZ   LYS 100          1HZ       LYS 100   6.450  12.618   2.187
  743   2HZ   LYS 100          2HZ       LYS 100   6.891  14.216   2.062
  744   3HZ   LYS 100          3HZ       LYS 100   5.503  13.677   1.279
  745    H    TYR 101           H        TYR 101  -0.118  10.277   4.162
  746    HA   TYR 101           HA       TYR 101  -2.585  10.884   2.699
  747   1HB   TYR 101          2HB       TYR 101  -1.117   8.250   2.730
  748   2HB   TYR 101          1HB       TYR 101  -2.519   8.699   1.768
  749    HD1  TYR 101           1HD      TYR 101   0.981   8.432   1.860
  750    HD2  TYR 101           2HD      TYR 101  -2.152  10.645   0.043
  751    HE1  TYR 101           1HE      TYR 101   2.530   9.149   0.105
  752    HE2  TYR 101           2HE      TYR 101  -0.607  11.368  -1.739
  753    HH   TYR 101           HH       TYR 101   2.398   9.894  -2.176
  754    HA   PRO 102           HA       PRO 102  -4.337   9.342   6.459
  755   1HB   PRO 102          2HB       PRO 102  -6.842   8.947   5.662
  756   2HB   PRO 102          1HB       PRO 102  -6.175  10.589   5.752
  757   1HG   PRO 102          2HG       PRO 102  -6.448   8.780   3.385
  758   2HG   PRO 102          1HG       PRO 102  -6.938  10.472   3.523
  759   1HD   PRO 102          2HD       PRO 102  -4.589   9.753   2.381
  760   2HD   PRO 102          1HD       PRO 102  -4.749  11.241   3.345
  761    H    VAL 103           H        VAL 103  -4.301   7.387   7.298
  762    HA   VAL 103           HA       VAL 103  -4.475   5.137   5.513
  763    HB   VAL 103           HB       VAL 103  -2.667   5.172   7.251
  764   1HG1  VAL 103          1HG1      VAL 103  -3.067   4.419   9.468
  765   2HG1  VAL 103          2HG1      VAL 103  -4.796   4.687   9.269
  766   3HG1  VAL 103          3HG1      VAL 103  -3.656   6.061   9.190
  767   1HG2  VAL 103          1HG2      VAL 103  -3.159   3.115   6.232
  768   2HG2  VAL 103          2HG2      VAL 103  -4.466   2.782   7.392
  769   3HG2  VAL 103          3HG2      VAL 103  -2.773   2.909   7.933
  770    H    VAL 104           H        VAL 104  -6.340   4.839   4.885
  771    HA   VAL 104           HA       VAL 104  -8.634   5.496   6.455
  772    HB   VAL 104           HB       VAL 104  -9.987   4.833   4.477
  773   1HG1  VAL 104          1HG1      VAL 104  -7.631   6.621   3.875
  774   2HG1  VAL 104          2HG1      VAL 104  -9.123   7.116   4.670
  775   3HG1  VAL 104          3HG1      VAL 104  -9.150   6.598   2.985
  776   1HG2  VAL 104          1HG2      VAL 104  -8.537   3.033   3.640
  777   2HG2  VAL 104          2HG2      VAL 104  -7.313   4.246   3.223
  778   3HG2  VAL 104          3HG2      VAL 104  -8.867   4.244   2.397
  779    H    GLY 105           H        GLY 105  -6.995   2.532   5.723
  780   1HA   GLY 105          2HA       GLY 105  -8.359   1.239   7.755
  781   2HA   GLY 105          1HA       GLY 105  -9.159   0.836   6.240
  782    H    ARG 106           H        ARG 106  -8.650  -1.153   5.932
  783    HA   ARG 106           HA       ARG 106  -5.820  -1.962   6.048
  784   1HB   ARG 106          2HB       ARG 106  -6.621  -4.149   6.791
  785   2HB   ARG 106          1HB       ARG 106  -6.732  -2.967   8.037
  786   1HG   ARG 106          2HG       ARG 106  -9.137  -2.759   7.632
  787   2HG   ARG 106          1HG       ARG 106  -8.969  -3.905   6.303
  788   1HD   ARG 106          2HD       ARG 106  -9.714  -5.000   8.357
  789   2HD   ARG 106          1HD       ARG 106  -8.151  -5.505   7.635
  790    HE   ARG 106           HE       ARG 106  -7.453  -3.666   9.519
  791   1HH1  ARG 106          1HH1      ARG 106  -9.331  -6.665   9.769
  792   2HH1  ARG 106          2HH1      ARG 106  -8.748  -7.017  11.333
  793   1HH2  ARG 106          1HH2      ARG 106  -6.698  -4.180  11.608
  794   2HH2  ARG 106          2HH2      ARG 106  -7.232  -5.587  12.408
  795    H    VAL 107           H        VAL 107  -5.294  -3.670   4.779
  796    HA   VAL 107           HA       VAL 107  -7.424  -4.628   3.085
  797    HB   VAL 107           HB       VAL 107  -5.566  -3.583   1.741
  798   1HG1  VAL 107          1HG1      VAL 107  -3.469  -4.762   1.553
  799   2HG1  VAL 107          2HG1      VAL 107  -4.007  -5.846   2.858
  800   3HG1  VAL 107          3HG1      VAL 107  -3.747  -4.112   3.187
  801   1HG2  VAL 107          1HG2      VAL 107  -6.990  -5.237   0.828
  802   2HG2  VAL 107          2HG2      VAL 107  -6.052  -6.478   1.612
  803   3HG2  VAL 107          3HG2      VAL 107  -5.331  -5.573   0.238
  804    H    VAL 108           H        VAL 108  -7.760  -6.718   3.042
  805    HA   VAL 108           HA       VAL 108  -6.288  -8.339   4.997
  806    HB   VAL 108           HB       VAL 108  -8.482  -9.219   5.745
  807   1HG1  VAL 108          1HG1      VAL 108  -8.415  -6.295   5.496
  808   2HG1  VAL 108          2HG1      VAL 108  -7.550  -7.186   6.777
  809   3HG1  VAL 108          3HG1      VAL 108  -9.354  -7.139   6.708
  810   1HG2  VAL 108          1HG2      VAL 108  -9.546  -7.127   3.971
  811   2HG2  VAL 108          2HG2      VAL 108 -10.502  -8.091   5.073
  812   3HG2  VAL 108          3HG2      VAL 108  -9.741  -8.862   3.630
  813    H    SER 109           H        SER 109  -5.760 -10.358   4.110
  814    HA   SER 109           HA       SER 109  -7.890 -11.402   2.489
  815   1HB   SER 109          2HB       SER 109  -6.394 -12.168   0.683
  816   2HB   SER 109          1HB       SER 109  -6.428 -10.402   0.938
  817    HG   SER 109           HG       SER 109  -4.539 -11.930   2.237
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1 -16.836   6.331  -9.850
    2   2H    MET   1          2HT       MET   1 -16.377   4.978  -8.979
    3   3H    MET   1          3HT       MET   1 -15.547   6.438  -8.774
    4    HA   MET   1           HA       MET   1 -17.518   7.448  -7.853
    5   1HB   MET   1          2HB       MET   1 -19.056   5.980  -9.226
    6   2HB   MET   1          1HB       MET   1 -18.714   4.672  -8.119
    7   1HG   MET   1          2HG       MET   1 -20.051   7.272  -7.359
    8   2HG   MET   1          1HG       MET   1 -20.898   5.789  -7.756
    9   1HE   MET   1          1HE       MET   1 -22.269   5.917  -5.526
   10   2HE   MET   1          2HE       MET   1 -21.463   7.438  -5.138
   11   3HE   MET   1          3HE       MET   1 -21.541   6.147  -3.936
   12    H    GLY   2           H        GLY   2 -16.618   7.792  -5.928
   13   1HA   GLY   2          2HA       GLY   2 -16.658   5.811  -3.893
   14   2HA   GLY   2          1HA       GLY   2 -15.018   6.136  -4.458
   15    H    HIS   3           H        HIS   3 -14.973   6.842  -2.074
   16    HA   HIS   3           HA       HIS   3 -14.667   8.552  -0.576
   17   1HB   HIS   3          2HB       HIS   3 -14.835  10.226  -3.100
   18   2HB   HIS   3          1HB       HIS   3 -14.448  10.913  -1.536
   19    HD1  HIS   3           1HD      HIS   3 -12.245  11.651  -2.831
   20    HD2  HIS   3           2HD      HIS   3 -12.641   7.589  -2.117
   21    HE1  HIS   3           1HE      HIS   3  -9.959  10.678  -3.150
   22    HE2  HIS   3           2HE      HIS   3 -10.180   8.399  -2.252
   23    H    HIS   4           H        HIS   4 -15.792  11.215  -0.580
   24    HA   HIS   4           HA       HIS   4 -17.571  12.444  -0.205
   25   1HB   HIS   4          2HB       HIS   4 -18.604  11.610  -2.260
   26   2HB   HIS   4          1HB       HIS   4 -19.196  10.190  -1.421
   27    HD1  HIS   4           1HD      HIS   4 -21.439  10.380  -0.316
   28    HD2  HIS   4           2HD      HIS   4 -19.927  14.067  -1.481
   29    HE1  HIS   4           1HE      HIS   4 -23.292  12.016   0.058
   30    HE2  HIS   4           2HE      HIS   4 -22.328  14.248  -0.526
   31    H    HIS   5           H        HIS   5 -18.721   9.151   0.591
   32    HA   HIS   5           HA       HIS   5 -18.763   9.992   3.381
   33   1HB   HIS   5          2HB       HIS   5 -21.058  10.458   2.580
   34   2HB   HIS   5          1HB       HIS   5 -21.197   8.796   2.027
   35    HD1  HIS   5           1HD      HIS   5 -21.835   7.009   3.778
   36    HD2  HIS   5           2HD      HIS   5 -21.112  10.756   5.443
   37    HE1  HIS   5           1HE      HIS   5 -22.595   6.860   6.155
   38    HE2  HIS   5           2HE      HIS   5 -21.831   9.005   7.185
   39    H    HIS   6           H        HIS   6 -17.319   8.610   4.096
   40    HA   HIS   6           HA       HIS   6 -18.149   5.850   4.199
   41   1HB   HIS   6          2HB       HIS   6 -15.347   6.741   3.433
   42   2HB   HIS   6          1HB       HIS   6 -15.667   5.151   4.108
   43    HD1  HIS   6           1HD      HIS   6 -16.456   3.352   2.498
   44    HD2  HIS   6           2HD      HIS   6 -16.552   7.159   0.809
   45    HE1  HIS   6           1HE      HIS   6 -17.013   3.015   0.098
   46    HE2  HIS   6           2HE      HIS   6 -17.462   5.304  -0.732
   47    H    HIS   7           H        HIS   7 -18.860   6.056   6.181
   48    HA   HIS   7           HA       HIS   7 -17.486   7.571   8.165
   49   1HB   HIS   7          2HB       HIS   7 -19.968   7.249   8.186
   50   2HB   HIS   7          1HB       HIS   7 -19.705   5.562   8.613
   51    HD1  HIS   7           1HD      HIS   7 -20.083   5.202  11.065
   52    HD2  HIS   7           2HD      HIS   7 -18.481   8.958  10.272
   53    HE1  HIS   7           1HE      HIS   7 -19.834   6.322  13.286
   54    HE2  HIS   7           2HE      HIS   7 -18.621   8.440  12.791
   55    H    HIS   8           H        HIS   8 -17.896   4.081   7.656
   56    HA   HIS   8           HA       HIS   8 -15.836   3.604   9.645
   57   1HB   HIS   8          2HB       HIS   8 -17.383   1.673   7.898
   58   2HB   HIS   8          1HB       HIS   8 -16.118   1.176   9.006
   59    HD1  HIS   8           1HD      HIS   8 -19.485   0.821   8.866
   60    HD2  HIS   8           2HD      HIS   8 -17.042   2.561  11.743
   61    HE1  HIS   8           1HE      HIS   8 -20.778   0.711  10.988
   62    HE2  HIS   8           2HE      HIS   8 -19.065   1.323  12.711
   63    H    LEU   9           H        LEU   9 -13.933   2.294   9.004
   64    HA   LEU   9           HA       LEU   9 -12.898   3.398   6.559
   65   1HB   LEU   9          2HB       LEU   9 -10.755   2.714   7.233
   66   2HB   LEU   9          1HB       LEU   9 -11.556   3.089   8.718
   67    HG   LEU   9           HG       LEU   9 -11.002   0.317   7.667
   68   1HD1  LEU   9          1HD1      LEU   9  -9.851   1.816  10.003
   69   2HD1  LEU   9          2HD1      LEU   9  -9.033   1.429   8.492
   70   3HD1  LEU   9          3HD1      LEU   9  -9.517   0.135   9.586
   71   1HD2  LEU   9          1HD2      LEU   9 -12.304   1.139  10.252
   72   2HD2  LEU   9          2HD2      LEU   9 -11.873  -0.518   9.751
   73   3HD2  LEU   9          3HD2      LEU   9 -13.085   0.410   8.844
   74    H    GLU  10           H        GLU  10 -11.862   2.018   4.943
   75    HA   GLU  10           HA       GLU  10 -13.783  -0.033   4.168
   76   1HB   GLU  10          2HB       GLU  10 -11.565   1.327   2.701
   77   2HB   GLU  10          1HB       GLU  10 -12.641   0.133   1.995
   78   1HG   GLU  10          2HG       GLU  10 -13.535   2.665   3.253
   79   2HG   GLU  10          1HG       GLU  10 -13.185   2.502   1.516
   80    H    GLU  11           H        GLU  11 -13.345  -2.152   4.560
   81    HA   GLU  11           HA       GLU  11 -10.650  -3.045   4.724
   82   1HB   GLU  11          2HB       GLU  11 -11.997  -4.217   6.197
   83   2HB   GLU  11          1HB       GLU  11 -13.321  -4.422   5.023
   84   1HG   GLU  11          2HG       GLU  11 -11.990  -5.918   3.806
   85   2HG   GLU  11          1HG       GLU  11 -10.591  -5.743   4.824
   86    H    PHE  12           H        PHE  12  -9.627  -3.628   3.078
   87    HA   PHE  12           HA       PHE  12 -11.019  -4.587   0.714
   88   1HB   PHE  12          2HB       PHE  12  -8.481  -3.035   1.014
   89   2HB   PHE  12          1HB       PHE  12  -8.939  -4.058  -0.335
   90    HD1  PHE  12           1HD      PHE  12  -9.587  -0.883   1.438
   91    HD2  PHE  12           2HD      PHE  12 -10.739  -3.335  -1.854
   92    HE1  PHE  12           1HE      PHE  12 -10.819   0.994   0.468
   93    HE2  PHE  12           2HE      PHE  12 -11.973  -1.451  -2.820
   94    HZ   PHE  12           HZ       PHE  12 -12.011   0.721  -1.661
   95    H    THR  13           H        THR  13 -10.076  -6.354  -0.231
   96    HA   THR  13           HA       THR  13  -8.075  -7.670   1.419
   97    HB   THR  13           HB       THR  13  -9.629  -8.853  -0.902
   98    HG1  THR  13           1HG      THR  13 -10.317  -9.360   1.767
   99   1HG2  THR  13          1HG2      THR  13  -7.655 -10.048  -0.171
  100   2HG2  THR  13          2HG2      THR  13  -9.103 -10.972   0.294
  101   3HG2  THR  13          3HG2      THR  13  -8.214 -10.012   1.488
  102    H    ALA  14           H        ALA  14  -6.317  -8.698   0.060
  103    HA   ALA  14           HA       ALA  14  -4.975  -6.562  -1.184
  104   1HB   ALA  14          1HB       ALA  14  -4.196  -9.450  -1.532
  105   2HB   ALA  14          2HB       ALA  14  -3.801  -8.443  -0.136
  106   3HB   ALA  14          3HB       ALA  14  -3.176  -8.024  -1.731
  107    H    GLU  15           H        GLU  15  -6.456  -9.325  -2.848
  108    HA   GLU  15           HA       GLU  15  -5.716  -8.452  -5.466
  109   1HB   GLU  15          2HB       GLU  15  -8.029 -10.182  -4.645
  110   2HB   GLU  15          1HB       GLU  15  -7.326 -10.081  -6.247
  111   1HG   GLU  15          2HG       GLU  15  -5.276 -11.039  -5.480
  112   2HG   GLU  15          1HG       GLU  15  -5.849 -11.024  -3.814
  113    H    GLN  16           H        GLN  16  -8.317  -7.829  -3.373
  114    HA   GLN  16           HA       GLN  16 -10.015  -6.603  -5.262
  115   1HB   GLN  16          2HB       GLN  16 -10.078  -6.877  -2.304
  116   2HB   GLN  16          1HB       GLN  16 -11.274  -5.895  -3.154
  117   1HG   GLN  16          2HG       GLN  16 -12.138  -7.706  -4.314
  118   2HG   GLN  16          1HG       GLN  16 -10.706  -8.685  -4.039
  119   1HE2  GLN  16          1HE2      GLN  16 -10.497  -9.796  -2.276
  120   2HE2  GLN  16          2HE2      GLN  16 -11.668  -9.956  -1.054
  121    H    LEU  17           H        LEU  17  -7.596  -5.530  -3.002
  122    HA   LEU  17           HA       LEU  17  -8.032  -2.728  -3.189
  123   1HB   LEU  17          2HB       LEU  17  -6.551  -4.103  -1.535
  124   2HB   LEU  17          1HB       LEU  17  -5.359  -4.099  -2.807
  125    HG   LEU  17           HG       LEU  17  -4.720  -2.391  -1.247
  126   1HD1  LEU  17          1HD1      LEU  17  -4.739  -0.373  -2.417
  127   2HD1  LEU  17          2HD1      LEU  17  -5.926  -1.055  -3.544
  128   3HD1  LEU  17          3HD1      LEU  17  -4.310  -1.778  -3.402
  129   1HD2  LEU  17          1HD2      LEU  17  -7.475  -1.286  -1.518
  130   2HD2  LEU  17          2HD2      LEU  17  -6.145  -0.563  -0.613
  131   3HD2  LEU  17          3HD2      LEU  17  -6.830  -2.113  -0.094
  132    H    SER  18           H        SER  18  -6.168  -5.165  -4.952
  133    HA   SER  18           HA       SER  18  -4.907  -3.445  -6.791
  134   1HB   SER  18          2HB       SER  18  -5.509  -6.399  -6.994
  135   2HB   SER  18          1HB       SER  18  -4.361  -5.500  -7.990
  136    HG   SER  18           HG       SER  18  -3.589  -4.855  -5.725
  137    H    GLN  19           H        GLN  19  -8.064  -3.743  -6.497
  138    HA   GLN  19           HA       GLN  19  -8.655  -3.778  -9.351
  139   1HB   GLN  19          2HB       GLN  19 -10.495  -3.558  -6.958
  140   2HB   GLN  19          1HB       GLN  19 -11.009  -3.609  -8.634
  141   1HG   GLN  19          2HG       GLN  19 -10.125  -5.873  -8.845
  142   2HG   GLN  19          1HG       GLN  19  -9.565  -5.818  -7.176
  143   1HE2  GLN  19          1HE2      GLN  19 -12.604  -4.443  -8.249
  144   2HE2  GLN  19          2HE2      GLN  19 -13.620  -5.564  -7.442
  145    H    TYR  20           H        TYR  20  -7.751  -1.673  -6.885
  146    HA   TYR  20           HA       TYR  20  -8.798   0.665  -8.327
  147   1HB   TYR  20          2HB       TYR  20  -8.391   0.361  -5.339
  148   2HB   TYR  20          1HB       TYR  20  -8.820   1.856  -6.153
  149    HD1  TYR  20           1HD      TYR  20 -11.072   2.301  -6.783
  150    HD2  TYR  20           2HD      TYR  20 -10.012  -1.503  -5.209
  151    HE1  TYR  20           1HE      TYR  20 -13.449   1.762  -6.499
  152    HE2  TYR  20           2HE      TYR  20 -12.385  -2.055  -4.924
  153    HH   TYR  20           HH       TYR  20 -14.468  -0.889  -4.646
  154    H    ASN  21           H        ASN  21  -6.906   0.737  -9.506
  155    HA   ASN  21           HA       ASN  21  -4.436   1.239  -7.947
  156   1HB   ASN  21          2HB       ASN  21  -4.723   0.368 -10.803
  157   2HB   ASN  21          1HB       ASN  21  -3.194   0.464  -9.918
  158   1HD2  ASN  21          1HD2      ASN  21  -6.079  -1.212 -10.540
  159   2HD2  ASN  21          2HD2      ASN  21  -5.695  -2.722  -9.766
  160    H    GLY  22           H        GLY  22  -6.808   2.602  -9.951
  161   1HA   GLY  22          2HA       GLY  22  -6.909   4.977 -10.300
  162   2HA   GLY  22          1HA       GLY  22  -5.148   5.014 -10.230
  163    H    THR  23           H        THR  23  -4.902   2.790 -12.019
  164    HA   THR  23           HA       THR  23  -5.128   4.285 -14.480
  165    HB   THR  23           HB       THR  23  -3.162   3.018 -13.947
  166    HG1  THR  23           1HG      THR  23  -4.670   2.226 -16.241
  167   1HG2  THR  23          1HG2      THR  23  -4.899   0.558 -14.198
  168   2HG2  THR  23          2HG2      THR  23  -4.066   1.128 -12.748
  169   3HG2  THR  23          3HG2      THR  23  -3.138   0.518 -14.117
  170    H    ASP  24           H        ASP  24  -7.055   2.479 -12.704
  171    HA   ASP  24           HA       ASP  24  -8.376   1.208 -14.866
  172   1HB   ASP  24          2HB       ASP  24  -9.793   0.350 -12.753
  173   2HB   ASP  24          1HB       ASP  24  -8.338  -0.445 -13.347
  174    H    GLU  25           H        GLU  25  -9.242   3.100 -15.754
  175    HA   GLU  25           HA       GLU  25 -10.882   4.543 -16.256
  176   1HB   GLU  25          2HB       GLU  25 -12.443   2.983 -14.219
  177   2HB   GLU  25          1HB       GLU  25 -13.130   4.117 -15.376
  178   1HG   GLU  25          2HG       GLU  25 -11.728   1.534 -15.971
  179   2HG   GLU  25          1HG       GLU  25 -13.434   1.942 -16.162
  180    H    SER  26           H        SER  26  -9.188   4.878 -13.915
  181    HA   SER  26           HA       SER  26  -8.575   6.600 -12.527
  182   1HB   SER  26          2HB       SER  26  -9.272   8.072 -14.355
  183   2HB   SER  26          1HB       SER  26 -10.941   8.003 -13.799
  184    HG   SER  26           HG       SER  26 -10.098   8.900 -11.798
  185    H    LYS  27           H        LYS  27 -10.178   4.470 -11.535
  186    HA   LYS  27           HA       LYS  27 -12.062   5.594  -9.694
  187   1HB   LYS  27          2HB       LYS  27 -10.657   2.921  -9.722
  188   2HB   LYS  27          1HB       LYS  27 -12.002   3.324  -8.667
  189   1HG   LYS  27          2HG       LYS  27 -13.434   3.645 -10.653
  190   2HG   LYS  27          1HG       LYS  27 -12.082   3.171 -11.673
  191   1HD   LYS  27          2HD       LYS  27 -13.413   1.473  -9.573
  192   2HD   LYS  27          1HD       LYS  27 -13.606   1.307 -11.320
  193   1HE   LYS  27          2HE       LYS  27 -11.210   0.838 -11.510
  194   2HE   LYS  27          1HE       LYS  27 -11.051   0.950  -9.762
  195   1HZ   LYS  27          1HZ       LYS  27 -12.654  -0.914  -9.608
  196   2HZ   LYS  27          2HZ       LYS  27 -11.198  -1.282 -10.315
  197   3HZ   LYS  27          3HZ       LYS  27 -12.565  -1.106 -11.285
  198    HA   PRO  28           HA       PRO  28  -9.561   7.070  -6.356
  199   1HB   PRO  28          2HB       PRO  28 -10.690   4.951  -4.590
  200   2HB   PRO  28          1HB       PRO  28 -10.584   6.693  -4.326
  201   1HG   PRO  28          2HG       PRO  28 -12.877   5.564  -4.986
  202   2HG   PRO  28          1HG       PRO  28 -12.427   7.146  -5.650
  203   1HD   PRO  28          2HD       PRO  28 -12.448   4.472  -6.956
  204   2HD   PRO  28          1HD       PRO  28 -12.776   6.067  -7.660
  205    H    ILE  29           H        ILE  29  -7.538   6.754  -5.857
  206    HA   ILE  29           HA       ILE  29  -6.386   4.126  -6.375
  207    HB   ILE  29           HB       ILE  29  -4.835   6.674  -5.844
  208   1HG1  ILE  29          2HG1      ILE  29  -4.440   6.680  -8.365
  209   2HG1  ILE  29          1HG1      ILE  29  -5.839   5.624  -8.487
  210   1HG2  ILE  29          1HG2      ILE  29  -3.571   4.629  -5.612
  211   2HG2  ILE  29          2HG2      ILE  29  -3.039   5.488  -7.062
  212   3HG2  ILE  29          3HG2      ILE  29  -4.106   4.090  -7.203
  213   1HD1  ILE  29          1HD1      ILE  29  -6.418   7.919  -8.989
  214   2HD1  ILE  29          2HD1      ILE  29  -5.803   8.434  -7.420
  215   3HD1  ILE  29          3HD1      ILE  29  -7.233   7.397  -7.513
  216    H    TYR  30           H        TYR  30  -5.504   2.906  -4.791
  217    HA   TYR  30           HA       TYR  30  -5.073   4.134  -2.156
  218   1HB   TYR  30          2HB       TYR  30  -6.434   1.495  -2.711
  219   2HB   TYR  30          1HB       TYR  30  -5.973   2.111  -1.133
  220    HD1  TYR  30           1HD      TYR  30  -8.543   1.981  -3.614
  221    HD2  TYR  30           2HD      TYR  30  -7.066   4.286  -0.371
  222    HE1  TYR  30           1HE      TYR  30 -10.731   3.093  -3.413
  223    HE2  TYR  30           2HE      TYR  30  -9.238   5.396  -0.164
  224    HH   TYR  30           HH       TYR  30 -11.111   5.869  -1.440
  225    H    VAL  31           H        VAL  31  -3.438   3.528  -1.091
  226    HA   VAL  31           HA       VAL  31  -1.809   1.338  -2.158
  227    HB   VAL  31           HB       VAL  31   0.136   2.368  -1.081
  228   1HG1  VAL  31          1HG1      VAL  31  -0.159   2.846  -3.418
  229   2HG1  VAL  31          2HG1      VAL  31   0.586   4.187  -2.581
  230   3HG1  VAL  31          3HG1      VAL  31  -1.133   4.278  -3.033
  231   1HG2  VAL  31          1HG2      VAL  31   0.072   4.710  -0.299
  232   2HG2  VAL  31          2HG2      VAL  31  -0.917   3.597   0.657
  233   3HG2  VAL  31          3HG2      VAL  31  -1.684   4.670  -0.517
  234    H    ALA  32           H        ALA  32  -0.669   0.173  -0.407
  235    HA   ALA  32           HA       ALA  32  -1.882   0.618   2.171
  236   1HB   ALA  32          1HB       ALA  32  -1.871  -2.068   0.798
  237   2HB   ALA  32          2HB       ALA  32  -3.275  -1.045   1.071
  238   3HB   ALA  32          3HB       ALA  32  -2.400  -1.729   2.444
  239    H    ILE  33           H        ILE  33  -0.636   0.157   3.818
  240    HA   ILE  33           HA       ILE  33   1.946  -1.182   3.379
  241    HB   ILE  33           HB       ILE  33   1.648   1.358   5.036
  242   1HG1  ILE  33          2HG1      ILE  33   2.983   1.028   2.347
  243   2HG1  ILE  33          1HG1      ILE  33   1.496   1.920   2.642
  244   1HG2  ILE  33          1HG2      ILE  33   3.345  -0.107   5.888
  245   2HG2  ILE  33          2HG2      ILE  33   4.103   1.302   5.108
  246   3HG2  ILE  33          3HG2      ILE  33   4.078  -0.241   4.285
  247   1HD1  ILE  33          1HD1      ILE  33   3.394   3.427   2.462
  248   2HD1  ILE  33          2HD1      ILE  33   4.203   2.555   3.764
  249   3HD1  ILE  33          3HD1      ILE  33   2.726   3.456   4.100
  250    H    LYS  34           H        LYS  34   1.974  -2.807   4.778
  251    HA   LYS  34           HA       LYS  34   1.689  -4.082   6.586
  252   1HB   LYS  34          2HB       LYS  34   1.933  -1.402   7.685
  253   2HB   LYS  34          1HB       LYS  34   1.042  -2.487   8.738
  254   1HG   LYS  34          2HG       LYS  34   3.748  -3.093   7.584
  255   2HG   LYS  34          1HG       LYS  34   3.480  -2.422   9.198
  256   1HD   LYS  34          2HD       LYS  34   2.035  -4.357   9.710
  257   2HD   LYS  34          1HD       LYS  34   2.428  -5.048   8.151
  258   1HE   LYS  34          2HE       LYS  34   4.757  -5.200   8.765
  259   2HE   LYS  34          1HE       LYS  34   4.417  -4.416  10.313
  260   1HZ   LYS  34          1HZ       LYS  34   3.268  -6.998   9.421
  261   2HZ   LYS  34          2HZ       LYS  34   2.987  -6.265  10.894
  262   3HZ   LYS  34          3HZ       LYS  34   4.534  -6.836  10.516
  263    H    GLY  35           H        GLY  35  -0.602  -3.346   4.911
  264   1HA   GLY  35          2HA       GLY  35  -2.678  -4.248   4.899
  265   2HA   GLY  35          1HA       GLY  35  -2.606  -4.568   6.598
  266    H    ARG  36           H        ARG  36  -1.727  -1.412   5.795
  267    HA   ARG  36           HA       ARG  36  -4.361  -0.438   6.661
  268   1HB   ARG  36          2HB       ARG  36  -1.644   0.878   6.730
  269   2HB   ARG  36          1HB       ARG  36  -3.134   1.551   7.376
  270   1HG   ARG  36          2HG       ARG  36  -3.238  -0.124   9.088
  271   2HG   ARG  36          1HG       ARG  36  -1.914  -1.013   8.312
  272   1HD   ARG  36          2HD       ARG  36  -1.669   1.754   9.452
  273   2HD   ARG  36          1HD       ARG  36  -1.186   0.274  10.293
  274    HE   ARG  36           HE       ARG  36  -0.070   0.696   7.658
  275   1HH1  ARG  36          1HH1      ARG  36   0.438   0.964  11.139
  276   2HH1  ARG  36          2HH1      ARG  36   2.135   0.996  11.027
  277   1HH2  ARG  36          1HH2      ARG  36   2.239   0.748   7.502
  278   2HH2  ARG  36          2HH2      ARG  36   3.186   0.827   8.914
  279    H    VAL  37           H        VAL  37  -5.475   0.605   5.161
  280    HA   VAL  37           HA       VAL  37  -4.231   1.088   2.584
  281    HB   VAL  37           HB       VAL  37  -7.141   1.178   3.433
  282   1HG1  VAL  37          1HG1      VAL  37  -5.907   1.384   0.697
  283   2HG1  VAL  37          2HG1      VAL  37  -6.722   2.695   1.557
  284   3HG1  VAL  37          3HG1      VAL  37  -7.636   1.278   1.024
  285   1HG2  VAL  37          1HG2      VAL  37  -6.192  -1.052   3.453
  286   2HG2  VAL  37          2HG2      VAL  37  -5.590  -0.821   1.813
  287   3HG2  VAL  37          3HG2      VAL  37  -7.326  -0.871   2.114
  288    H    PHE  38           H        PHE  38  -3.703   2.992   1.896
  289    HA   PHE  38           HA       PHE  38  -4.623   5.386   3.356
  290   1HB   PHE  38          2HB       PHE  38  -2.139   4.999   1.691
  291   2HB   PHE  38          1HB       PHE  38  -2.568   6.456   2.572
  292    HD1  PHE  38           1HD      PHE  38  -1.334   3.023   2.826
  293    HD2  PHE  38           2HD      PHE  38  -2.208   6.597   4.944
  294    HE1  PHE  38           1HE      PHE  38  -0.074   2.182   4.741
  295    HE2  PHE  38           2HE      PHE  38  -0.946   5.755   6.876
  296    HZ   PHE  38           HZ       PHE  38   0.130   3.545   6.776
  297    H    ASP  39           H        ASP  39  -5.533   6.982   2.126
  298    HA   ASP  39           HA       ASP  39  -6.153   6.300  -0.642
  299   1HB   ASP  39          2HB       ASP  39  -7.931   7.269   0.851
  300   2HB   ASP  39          1HB       ASP  39  -6.992   8.755   0.928
  301    H    VAL  40           H        VAL  40  -5.011   7.030  -2.277
  302    HA   VAL  40           HA       VAL  40  -3.210   9.271  -1.722
  303    HB   VAL  40           HB       VAL  40  -1.668   8.332  -3.465
  304   1HG1  VAL  40          1HG1      VAL  40  -1.210   8.068  -1.108
  305   2HG1  VAL  40          2HG1      VAL  40  -0.711   6.645  -2.023
  306   3HG1  VAL  40          3HG1      VAL  40  -2.201   6.603  -1.064
  307   1HG2  VAL  40          1HG2      VAL  40  -1.866   5.963  -4.012
  308   2HG2  VAL  40          2HG2      VAL  40  -3.229   6.893  -4.621
  309   3HG2  VAL  40          3HG2      VAL  40  -3.419   5.899  -3.172
  310    H    THR  41           H        THR  41  -5.951   9.364  -2.875
  311    HA   THR  41           HA       THR  41  -5.599  10.058  -5.624
  312    HB   THR  41           HB       THR  41  -7.793  11.250  -5.404
  313    HG1  THR  41           1HG      THR  41  -7.717  10.339  -2.701
  314   1HG2  THR  41          1HG2      THR  41  -7.719   8.487  -4.171
  315   2HG2  THR  41          2HG2      THR  41  -7.759   8.848  -5.897
  316   3HG2  THR  41          3HG2      THR  41  -9.139   9.256  -4.878
  317    H    THR  42           H        THR  42  -5.155  11.653  -2.639
  318    HA   THR  42           HA       THR  42  -4.906  14.315  -3.490
  319    HB   THR  42           HB       THR  42  -5.171  13.798  -1.125
  320    HG1  THR  42           1HG      THR  42  -3.990  15.675  -1.622
  321   1HG2  THR  42          1HG2      THR  42  -3.383  12.743   0.203
  322   2HG2  THR  42          2HG2      THR  42  -2.460  12.477  -1.276
  323   3HG2  THR  42          3HG2      THR  42  -4.000  11.652  -1.039
  324    H    GLY  43           H        GLY  43  -2.852  11.576  -3.874
  325   1HA   GLY  43          2HA       GLY  43  -0.782  13.308  -5.039
  326   2HA   GLY  43          1HA       GLY  43  -0.376  11.865  -4.104
  327    H    LYS  44           H        LYS  44  -3.014  12.305  -6.376
  328    HA   LYS  44           HA       LYS  44  -2.748   9.787  -7.558
  329   1HB   LYS  44          2HB       LYS  44  -4.789  11.161  -7.626
  330   2HB   LYS  44          1HB       LYS  44  -3.987  12.265  -8.734
  331   1HG   LYS  44          2HG       LYS  44  -3.744  10.374 -10.342
  332   2HG   LYS  44          1HG       LYS  44  -4.712   9.393  -9.243
  333   1HD   LYS  44          2HD       LYS  44  -6.509  11.076  -9.385
  334   2HD   LYS  44          1HD       LYS  44  -5.495  11.947 -10.538
  335   1HE   LYS  44          2HE       LYS  44  -5.565  10.083 -12.087
  336   2HE   LYS  44          1HE       LYS  44  -6.532   9.143 -10.949
  337   1HZ   LYS  44          1HZ       LYS  44  -7.363  11.660 -12.297
  338   2HZ   LYS  44          2HZ       LYS  44  -8.244  10.868 -11.108
  339   3HZ   LYS  44          3HZ       LYS  44  -8.003  10.117 -12.574
  340    H    SER  45           H        SER  45  -1.380  12.875  -8.379
  341    HA   SER  45           HA       SER  45  -0.447  12.419 -10.941
  342   1HB   SER  45          2HB       SER  45   0.859  14.048  -8.756
  343   2HB   SER  45          1HB       SER  45   1.059  14.267 -10.501
  344    HG   SER  45           HG       SER  45  -0.967  15.022 -10.670
  345    H    PHE  46           H        PHE  46   0.722  11.131  -7.924
  346    HA   PHE  46           HA       PHE  46   3.256  10.250  -9.073
  347   1HB   PHE  46          2HB       PHE  46   2.080   9.781  -6.322
  348   2HB   PHE  46          1HB       PHE  46   3.690   9.327  -6.834
  349    HD1  PHE  46           1HD      PHE  46   1.487  12.125  -5.949
  350    HD2  PHE  46           2HD      PHE  46   5.453  10.938  -6.909
  351    HE1  PHE  46           1HE      PHE  46   2.323  14.283  -5.122
  352    HE2  PHE  46           2HE      PHE  46   6.298  13.099  -6.089
  353    HZ   PHE  46           HZ       PHE  46   4.736  14.772  -5.194
  354    H    TYR  47           H        TYR  47   0.250   8.909  -7.707
  355    HA   TYR  47           HA       TYR  47   1.173   6.216  -8.298
  356   1HB   TYR  47          2HB       TYR  47  -1.295   7.110  -6.808
  357   2HB   TYR  47          1HB       TYR  47  -0.634   5.479  -6.860
  358    HD1  TYR  47           1HD      TYR  47   1.427   4.937  -5.598
  359    HD2  TYR  47           2HD      TYR  47  -0.290   8.814  -5.465
  360    HE1  TYR  47           1HE      TYR  47   2.828   5.497  -3.643
  361    HE2  TYR  47           2HE      TYR  47   1.088   9.379  -3.533
  362    HH   TYR  47           HH       TYR  47   3.713   7.488  -2.542
  363    H    GLY  48           H        GLY  48  -1.951   7.996  -8.818
  364   1HA   GLY  48          2HA       GLY  48  -2.806   5.877 -10.608
  365   2HA   GLY  48          1HA       GLY  48  -3.758   7.228 -10.034
  366    H    SER  49           H        SER  49  -0.691   7.905 -11.383
  367    HA   SER  49           HA       SER  49  -2.037   8.781 -13.843
  368   1HB   SER  49          2HB       SER  49   0.348   9.995 -12.445
  369   2HB   SER  49          1HB       SER  49  -0.366  10.597 -13.945
  370    HG   SER  49           HG       SER  49  -1.489  10.486 -11.360
  371    H    GLY  50           H        GLY  50  -0.381   6.353 -12.777
  372   1HA   GLY  50          2HA       GLY  50   0.927   4.773 -13.800
  373   2HA   GLY  50          1HA       GLY  50   0.870   5.751 -15.264
  374    H    GLY  51           H        GLY  51   2.056   6.524 -12.038
  375   1HA   GLY  51          2HA       GLY  51   4.492   7.499 -13.286
  376   2HA   GLY  51          1HA       GLY  51   3.973   7.818 -11.638
  377    H    ASP  52           H        ASP  52   6.329   7.243 -11.379
  378    HA   ASP  52           HA       ASP  52   7.303   4.613 -11.563
  379   1HB   ASP  52          2HB       ASP  52   8.795   6.466 -11.153
  380   2HB   ASP  52          1HB       ASP  52   7.971   6.852  -9.646
  381    H    TYR  53           H        TYR  53   5.416   6.257  -9.201
  382    HA   TYR  53           HA       TYR  53   5.554   4.036  -7.387
  383   1HB   TYR  53          2HB       TYR  53   4.365   6.787  -7.070
  384   2HB   TYR  53          1HB       TYR  53   4.288   5.538  -5.822
  385    HD1  TYR  53           1HD      TYR  53   6.359   4.665  -4.822
  386    HD2  TYR  53           2HD      TYR  53   6.429   8.002  -7.455
  387    HE1  TYR  53           1HE      TYR  53   8.630   5.191  -4.072
  388    HE2  TYR  53           2HE      TYR  53   8.717   8.542  -6.703
  389    HH   TYR  53           HH       TYR  53  10.147   8.103  -4.707
  390    H    SER  54           H        SER  54   3.989   4.116 -10.023
  391    HA   SER  54           HA       SER  54   1.272   3.673  -9.257
  392   1HB   SER  54          2HB       SER  54   1.943   4.337 -11.574
  393   2HB   SER  54          1HB       SER  54   2.758   2.776 -11.730
  394    HG   SER  54           HG       SER  54   0.466   2.046 -11.034
  395    H    MET  55           H        MET  55   4.085   1.955  -8.877
  396    HA   MET  55           HA       MET  55   3.180  -0.760  -9.118
  397   1HB   MET  55          2HB       MET  55   5.437   0.279  -7.391
  398   2HB   MET  55          1HB       MET  55   5.256  -1.339  -8.053
  399   1HG   MET  55          2HG       MET  55   5.566   1.137  -9.569
  400   2HG   MET  55          1HG       MET  55   6.942   0.093  -9.274
  401   1HE   MET  55          1HE       MET  55   6.262   1.034 -12.179
  402   2HE   MET  55          2HE       MET  55   6.322  -0.465 -13.106
  403   3HE   MET  55          3HE       MET  55   7.521  -0.154 -11.845
  404    H    PHE  56           H        PHE  56   3.043   1.732  -6.815
  405    HA   PHE  56           HA       PHE  56   2.472   0.049  -4.523
  406   1HB   PHE  56          2HB       PHE  56   2.609   3.057  -4.850
  407   2HB   PHE  56          1HB       PHE  56   2.408   2.216  -3.321
  408    HD1  PHE  56           1HD      PHE  56   4.741   2.501  -6.210
  409    HD2  PHE  56           2HD      PHE  56   4.266   1.623  -2.093
  410    HE1  PHE  56           1HE      PHE  56   7.178   2.354  -5.973
  411    HE2  PHE  56           2HE      PHE  56   6.670   1.468  -1.836
  412    HZ   PHE  56           HZ       PHE  56   8.164   1.831  -3.772
  413    H    ALA  57           H        ALA  57   0.892   1.613  -7.035
  414    HA   ALA  57           HA       ALA  57  -1.524   2.299  -5.687
  415   1HB   ALA  57          1HB       ALA  57  -0.749   3.530  -7.651
  416   2HB   ALA  57          2HB       ALA  57  -2.339   2.813  -7.928
  417   3HB   ALA  57          3HB       ALA  57  -0.901   2.069  -8.624
  418    H    GLY  58           H        GLY  58  -2.806   0.785  -4.953
  419   1HA   GLY  58          2HA       GLY  58  -4.495  -0.799  -5.280
  420   2HA   GLY  58          1HA       GLY  58  -3.811  -1.303  -6.735
  421    H    LYS  59           H        LYS  59  -1.741  -0.845  -4.034
  422    HA   LYS  59           HA       LYS  59  -1.393  -3.733  -3.802
  423   1HB   LYS  59          2HB       LYS  59   0.545  -1.702  -4.760
  424   2HB   LYS  59          1HB       LYS  59   1.088  -3.175  -3.994
  425   1HG   LYS  59          2HG       LYS  59  -0.771  -3.178  -6.354
  426   2HG   LYS  59          1HG       LYS  59   0.981  -3.112  -6.545
  427   1HD   LYS  59          2HD       LYS  59   1.295  -5.172  -5.612
  428   2HD   LYS  59          1HD       LYS  59  -0.275  -5.332  -4.888
  429   1HE   LYS  59          2HE       LYS  59  -0.163  -6.722  -6.868
  430   2HE   LYS  59          1HE       LYS  59  -1.196  -5.329  -7.221
  431   1HZ   LYS  59          1HZ       LYS  59   0.701  -4.282  -8.380
  432   2HZ   LYS  59          2HZ       LYS  59   0.303  -5.740  -9.056
  433   3HZ   LYS  59          3HZ       LYS  59   1.660  -5.642  -8.090
  434    H    ASP  60           H        ASP  60  -0.851  -4.346  -1.793
  435    HA   ASP  60           HA       ASP  60  -0.009  -2.345   0.147
  436   1HB   ASP  60          2HB       ASP  60  -1.405  -4.364   0.902
  437   2HB   ASP  60          1HB       ASP  60  -0.046  -5.385   0.452
  438    H    ALA  61           H        ALA  61   1.816  -1.603  -0.328
  439    HA   ALA  61           HA       ALA  61   3.730  -3.254  -1.798
  440   1HB   ALA  61          1HB       ALA  61   2.949  -1.222  -2.824
  441   2HB   ALA  61          2HB       ALA  61   4.683  -1.136  -2.502
  442   3HB   ALA  61          3HB       ALA  61   3.540  -0.289  -1.455
  443    H    SER  62           H        SER  62   3.452  -3.463   1.079
  444    HA   SER  62           HA       SER  62   5.306  -2.017   2.481
  445   1HB   SER  62          2HB       SER  62   4.454  -4.881   2.957
  446   2HB   SER  62          1HB       SER  62   5.200  -3.795   4.138
  447    HG   SER  62           HG       SER  62   2.612  -3.849   3.126
  448    H    ARG  63           H        ARG  63   5.830  -5.100   0.674
  449    HA   ARG  63           HA       ARG  63   8.567  -5.270   1.445
  450   1HB   ARG  63          2HB       ARG  63   7.364  -7.260   0.690
  451   2HB   ARG  63          1HB       ARG  63   7.165  -6.548  -0.908
  452   1HG   ARG  63          2HG       ARG  63   9.614  -6.523  -1.180
  453   2HG   ARG  63          1HG       ARG  63   9.774  -7.306   0.388
  454   1HD   ARG  63          2HD       ARG  63   8.353  -8.442  -2.014
  455   2HD   ARG  63          1HD       ARG  63   9.968  -8.877  -1.452
  456    HE   ARG  63           HE       ARG  63   7.719  -9.211   0.366
  457   1HH1  ARG  63          1HH1      ARG  63  10.208 -10.671  -1.692
  458   2HH1  ARG  63          2HH1      ARG  63   9.997 -12.235  -1.079
  459   1HH2  ARG  63          1HH2      ARG  63   7.411 -11.401   1.170
  460   2HH2  ARG  63          2HH2      ARG  63   8.421 -12.652   0.602
  461    H    ALA  64           H        ALA  64   6.919  -3.536  -1.055
  462    HA   ALA  64           HA       ALA  64   9.183  -3.297  -2.802
  463   1HB   ALA  64          1HB       ALA  64   6.603  -1.728  -2.740
  464   2HB   ALA  64          2HB       ALA  64   6.911  -3.168  -3.712
  465   3HB   ALA  64          3HB       ALA  64   7.800  -1.679  -4.032
  466    H    LEU  65           H        LEU  65   7.647  -1.532  -0.300
  467    HA   LEU  65           HA       LEU  65   9.109   0.853  -0.376
  468   1HB   LEU  65          2HB       LEU  65   7.731  -0.670   1.761
  469   2HB   LEU  65          1HB       LEU  65   8.536   0.840   2.096
  470    HG   LEU  65           HG       LEU  65   6.215   0.484   0.174
  471   1HD1  LEU  65          1HD1      LEU  65   6.340   1.717   2.935
  472   2HD1  LEU  65          2HD1      LEU  65   5.551   0.200   2.512
  473   3HD1  LEU  65          3HD1      LEU  65   4.971   1.716   1.834
  474   1HD2  LEU  65          1HD2      LEU  65   6.203   2.923   0.184
  475   2HD2  LEU  65          2HD2      LEU  65   7.758   2.295  -0.420
  476   3HD2  LEU  65          3HD2      LEU  65   7.614   2.869   1.240
  477    H    GLY  66           H        GLY  66   9.782  -2.162   1.290
  478   1HA   GLY  66          2HA       GLY  66  12.028  -1.034   2.615
  479   2HA   GLY  66          1HA       GLY  66  11.632  -2.729   2.594
  480    H    LYS  67           H        LYS  67  11.657  -2.536  -0.442
  481    HA   LYS  67           HA       LYS  67  14.565  -2.818  -0.651
  482   1HB   LYS  67          2HB       LYS  67  12.430  -3.712  -2.573
  483   2HB   LYS  67          1HB       LYS  67  14.132  -4.172  -2.579
  484   1HG   LYS  67          2HG       LYS  67  13.851  -5.201  -0.445
  485   2HG   LYS  67          1HG       LYS  67  12.123  -4.831  -0.455
  486   1HD   LYS  67          2HD       LYS  67  12.352  -7.127  -1.149
  487   2HD   LYS  67          1HD       LYS  67  11.985  -6.189  -2.593
  488   1HE   LYS  67          2HE       LYS  67  14.348  -6.130  -3.164
  489   2HE   LYS  67          1HE       LYS  67  14.689  -7.018  -1.670
  490   1HZ   LYS  67          1HZ       LYS  67  13.056  -8.026  -3.939
  491   2HZ   LYS  67          2HZ       LYS  67  13.450  -8.901  -2.554
  492   3HZ   LYS  67          3HZ       LYS  67  14.660  -8.451  -3.650
  493    H    MET  68           H        MET  68  12.197  -0.638  -1.173
  494    HA   MET  68           HA       MET  68  11.807   1.157  -2.379
  495   1HB   MET  68          2HB       MET  68  14.649   0.854  -3.415
  496   2HB   MET  68          1HB       MET  68  13.636   2.271  -3.696
  497   1HG   MET  68          2HG       MET  68  13.534   2.585  -1.226
  498   2HG   MET  68          1HG       MET  68  14.635   1.241  -1.059
  499   1HE   MET  68          1HE       MET  68  15.801   5.236  -3.085
  500   2HE   MET  68          2HE       MET  68  14.208   4.911  -2.404
  501   3HE   MET  68          3HE       MET  68  14.738   4.061  -3.855
  502    H    SER  69           H        SER  69  13.562  -1.159  -4.327
  503    HA   SER  69           HA       SER  69  13.145  -2.226  -6.270
  504   1HB   SER  69          2HB       SER  69  11.787  -3.309  -4.590
  505   2HB   SER  69          1HB       SER  69  10.448  -2.304  -5.010
  506    HG   SER  69           HG       SER  69  11.382  -4.512  -6.347
  507    H    LYS  70           H        LYS  70   9.901  -1.021  -6.083
  508    HA   LYS  70           HA       LYS  70   8.453  -0.175  -7.438
  509   1HB   LYS  70          2HB       LYS  70  10.713   1.108  -8.950
  510   2HB   LYS  70          1HB       LYS  70   9.013   1.518  -9.089
  511   1HG   LYS  70          2HG       LYS  70   9.354   3.064  -7.447
  512   2HG   LYS  70          1HG       LYS  70   9.564   1.596  -6.434
  513   1HD   LYS  70          2HD       LYS  70  11.822   1.551  -6.630
  514   2HD   LYS  70          1HD       LYS  70  11.772   2.660  -8.010
  515   1HE   LYS  70          2HE       LYS  70  10.998   3.423  -5.175
  516   2HE   LYS  70          1HE       LYS  70  12.613   3.687  -5.829
  517   1HZ   LYS  70          1HZ       LYS  70  11.118   5.679  -5.966
  518   2HZ   LYS  70          2HZ       LYS  70  10.183   4.853  -7.132
  519   3HZ   LYS  70          3HZ       LYS  70  11.776   5.176  -7.412
  520    H    ASN  71           H        ASN  71  10.087  -2.644  -8.114
  521    HA   ASN  71           HA       ASN  71   8.723  -2.964 -10.694
  522   1HB   ASN  71          2HB       ASN  71   9.863  -5.155 -10.953
  523   2HB   ASN  71          1HB       ASN  71  11.019  -3.837 -10.838
  524   1HD2  ASN  71          1HD2      ASN  71  12.526  -3.979  -9.324
  525   2HD2  ASN  71          2HD2      ASN  71  12.596  -5.178  -8.071
  526    H    GLU  72           H        GLU  72   7.140  -4.529 -10.981
  527    HA   GLU  72           HA       GLU  72   5.330  -4.829  -8.869
  528   1HB   GLU  72          2HB       GLU  72   5.567  -6.243 -11.505
  529   2HB   GLU  72          1HB       GLU  72   4.231  -6.512 -10.399
  530   1HG   GLU  72          2HG       GLU  72   4.950  -3.801 -11.463
  531   2HG   GLU  72          1HG       GLU  72   3.823  -4.889 -12.274
  532    H    GLU  73           H        GLU  73   8.032  -6.746  -9.650
  533    HA   GLU  73           HA       GLU  73   7.263  -9.290  -8.704
  534   1HB   GLU  73          2HB       GLU  73   9.987  -8.025  -8.730
  535   2HB   GLU  73          1HB       GLU  73   9.651  -9.742  -8.595
  536   1HG   GLU  73          2HG       GLU  73   8.881  -8.046 -10.920
  537   2HG   GLU  73          1HG       GLU  73  10.391  -8.947 -10.848
  538    H    ASP  74           H        ASP  74   8.747  -6.483  -7.124
  539    HA   ASP  74           HA       ASP  74   8.925  -7.966  -4.610
  540   1HB   ASP  74          2HB       ASP  74   9.906  -5.189  -5.274
  541   2HB   ASP  74          1HB       ASP  74  10.083  -5.967  -3.710
  542    H    VAL  75           H        VAL  75   6.640  -6.209  -6.105
  543    HA   VAL  75           HA       VAL  75   5.728  -4.783  -3.768
  544    HB   VAL  75           HB       VAL  75   4.167  -5.267  -6.333
  545   1HG1  VAL  75          1HG1      VAL  75   4.055  -3.105  -4.262
  546   2HG1  VAL  75          2HG1      VAL  75   2.832  -4.366  -4.509
  547   3HG1  VAL  75          3HG1      VAL  75   3.146  -3.130  -5.756
  548   1HG2  VAL  75          1HG2      VAL  75   6.319  -4.298  -6.898
  549   2HG2  VAL  75          2HG2      VAL  75   6.041  -2.992  -5.738
  550   3HG2  VAL  75          3HG2      VAL  75   5.001  -3.160  -7.156
  551    H    SER  76           H        SER  76   4.648  -5.736  -2.171
  552    HA   SER  76           HA       SER  76   2.825  -7.854  -2.372
  553   1HB   SER  76          2HB       SER  76   4.947  -9.057  -3.081
  554   2HB   SER  76          1HB       SER  76   5.635  -8.647  -1.520
  555    HG   SER  76           HG       SER  76   3.437 -10.311  -2.065
  556    HA   PRO  77           HA       PRO  77   2.470  -6.334   1.845
  557   1HB   PRO  77          2HB       PRO  77   0.954  -8.311   2.928
  558   2HB   PRO  77          1HB       PRO  77   0.291  -7.102   1.825
  559   1HG   PRO  77          2HG       PRO  77   1.141  -9.914   1.271
  560   2HG   PRO  77          1HG       PRO  77  -0.284  -9.044   0.683
  561   1HD   PRO  77          2HD       PRO  77   1.936  -9.405  -0.827
  562   2HD   PRO  77          1HD       PRO  77   0.898  -7.975  -0.981
  563    H    SER  78           H        SER  78   3.718  -9.498   1.157
  564    HA   SER  78           HA       SER  78   4.530 -10.090   3.872
  565   1HB   SER  78          2HB       SER  78   5.259 -11.388   1.278
  566   2HB   SER  78          1HB       SER  78   5.596 -11.954   2.927
  567    HG   SER  78           HG       SER  78   3.513 -12.440   3.214
  568    H    LEU  79           H        LEU  79   6.327  -9.999   4.838
  569    HA   LEU  79           HA       LEU  79   8.358  -8.306   3.589
  570   1HB   LEU  79          2HB       LEU  79   7.800  -8.727   6.514
  571   2HB   LEU  79          1HB       LEU  79   8.879  -7.562   5.779
  572    HG   LEU  79           HG       LEU  79   5.894  -7.569   5.757
  573   1HD1  LEU  79          1HD1      LEU  79   7.882  -5.557   6.776
  574   2HD1  LEU  79          2HD1      LEU  79   6.884  -6.637   7.748
  575   3HD1  LEU  79          3HD1      LEU  79   6.131  -5.371   6.782
  576   1HD2  LEU  79          1HD2      LEU  79   6.017  -5.580   4.328
  577   2HD2  LEU  79          2HD2      LEU  79   6.582  -7.068   3.570
  578   3HD2  LEU  79          3HD2      LEU  79   7.761  -5.863   4.116
  579    H    GLU  80           H        GLU  80   7.822 -11.396   4.111
  580    HA   GLU  80           HA       GLU  80  10.075 -12.234   5.549
  581   1HB   GLU  80          2HB       GLU  80   9.528 -14.472   4.685
  582   2HB   GLU  80          1HB       GLU  80   8.120 -13.646   5.327
  583   1HG   GLU  80          2HG       GLU  80   7.152 -14.412   3.363
  584   2HG   GLU  80          1HG       GLU  80   7.976 -12.910   2.863
  585    H    GLY  81           H        GLY  81  12.081 -12.461   4.970
  586   1HA   GLY  81          2HA       GLY  81  13.575 -13.340   3.311
  587   2HA   GLY  81          1HA       GLY  81  12.676 -12.438   2.109
  588    H    LEU  82           H        LEU  82  12.255 -10.247   3.964
  589    HA   LEU  82           HA       LEU  82  14.399  -8.613   3.195
  590   1HB   LEU  82          2HB       LEU  82  12.056  -8.231   5.005
  591   2HB   LEU  82          1HB       LEU  82  13.149  -6.967   4.504
  592    HG   LEU  82           HG       LEU  82  11.417  -8.571   2.605
  593   1HD1  LEU  82          1HD1      LEU  82  10.102  -6.537   2.450
  594   2HD1  LEU  82          2HD1      LEU  82  11.108  -5.798   3.717
  595   3HD1  LEU  82          3HD1      LEU  82  10.083  -7.206   4.086
  596   1HD2  LEU  82          1HD2      LEU  82  12.918  -6.044   2.291
  597   2HD2  LEU  82          2HD2      LEU  82  12.027  -6.880   1.010
  598   3HD2  LEU  82          3HD2      LEU  82  13.514  -7.586   1.687
  599    H    THR  83           H        THR  83  15.988  -7.875   4.333
  600    HA   THR  83           HA       THR  83  16.440  -8.910   7.003
  601    HB   THR  83           HB       THR  83  18.759  -7.964   6.671
  602    HG1  THR  83           1HG      THR  83  17.766  -7.495   4.023
  603   1HG2  THR  83          1HG2      THR  83  17.769  -9.865   4.542
  604   2HG2  THR  83          2HG2      THR  83  18.245 -10.312   6.178
  605   3HG2  THR  83          3HG2      THR  83  19.447  -9.684   5.052
  606    H    GLU  84           H        GLU  84  17.845  -7.020   8.300
  607    HA   GLU  84           HA       GLU  84  15.785  -5.285   9.030
  608   1HB   GLU  84          2HB       GLU  84  18.670  -5.273   9.865
  609   2HB   GLU  84          1HB       GLU  84  17.447  -4.201  10.537
  610   1HG   GLU  84          2HG       GLU  84  16.148  -6.153  11.254
  611   2HG   GLU  84          1HG       GLU  84  17.414  -7.202  10.626
  612    H    LYS  85           H        LYS  85  18.604  -4.661   7.041
  613    HA   LYS  85           HA       LYS  85  18.378  -1.836   6.893
  614   1HB   LYS  85          2HB       LYS  85  19.677  -2.020   4.820
  615   2HB   LYS  85          1HB       LYS  85  20.301  -3.187   5.985
  616   1HG   LYS  85          2HG       LYS  85  18.902  -4.916   4.920
  617   2HG   LYS  85          1HG       LYS  85  18.385  -3.706   3.789
  618   1HD   LYS  85          2HD       LYS  85  19.994  -5.090   2.798
  619   2HD   LYS  85          1HD       LYS  85  20.612  -3.443   2.884
  620   1HE   LYS  85          2HE       LYS  85  21.945  -4.056   4.887
  621   2HE   LYS  85          1HE       LYS  85  21.355  -5.709   4.770
  622   1HZ   LYS  85          1HZ       LYS  85  22.434  -5.888   2.605
  623   2HZ   LYS  85          2HZ       LYS  85  23.551  -5.506   3.786
  624   3HZ   LYS  85          3HZ       LYS  85  23.020  -4.314   2.735
  625    H    GLU  86           H        GLU  86  16.731  -4.435   5.295
  626    HA   GLU  86           HA       GLU  86  15.520  -2.915   3.239
  627   1HB   GLU  86          2HB       GLU  86  15.282  -5.671   4.308
  628   2HB   GLU  86          1HB       GLU  86  14.358  -5.172   2.927
  629   1HG   GLU  86          2HG       GLU  86  16.538  -4.629   1.784
  630   2HG   GLU  86          1HG       GLU  86  17.358  -5.249   3.211
  631    H    ILE  87           H        ILE  87  14.425  -4.649   6.114
  632    HA   ILE  87           HA       ILE  87  11.822  -3.695   5.915
  633    HB   ILE  87           HB       ILE  87  13.357  -4.702   8.266
  634   1HG1  ILE  87          2HG1      ILE  87  11.273  -5.993   6.515
  635   2HG1  ILE  87          1HG1      ILE  87  12.980  -6.376   6.589
  636   1HG2  ILE  87          1HG2      ILE  87  11.129  -4.933   9.391
  637   2HG2  ILE  87          2HG2      ILE  87  10.425  -4.152   7.955
  638   3HG2  ILE  87          3HG2      ILE  87  11.521  -3.236   9.003
  639   1HD1  ILE  87          1HD1      ILE  87  11.024  -6.707   8.834
  640   2HD1  ILE  87          2HD1      ILE  87  12.724  -7.160   8.887
  641   3HD1  ILE  87          3HD1      ILE  87  11.607  -8.025   7.809
  642    H    ASN  88           H        ASN  88  14.670  -2.372   7.578
  643    HA   ASN  88           HA       ASN  88  13.324  -0.293   8.932
  644   1HB   ASN  88          2HB       ASN  88  16.145  -0.578   8.058
  645   2HB   ASN  88          1HB       ASN  88  15.573   1.014   8.544
  646   1HD2  ASN  88          1HD2      ASN  88  16.357  -2.180   9.545
  647   2HD2  ASN  88          2HD2      ASN  88  16.297  -1.942  11.253
  648    H    THR  89           H        THR  89  14.471  -0.446   5.674
  649    HA   THR  89           HA       THR  89  14.111   2.233   5.026
  650    HB   THR  89           HB       THR  89  13.874  -0.263   3.333
  651    HG1  THR  89           1HG      THR  89  15.970  -0.057   4.087
  652   1HG2  THR  89          1HG2      THR  89  14.277   1.231   1.425
  653   2HG2  THR  89          2HG2      THR  89  14.117   2.617   2.548
  654   3HG2  THR  89          3HG2      THR  89  12.747   1.515   2.268
  655    H    LEU  90           H        LEU  90  11.874  -0.502   4.767
  656    HA   LEU  90           HA       LEU  90   9.627   1.012   3.885
  657   1HB   LEU  90          2HB       LEU  90   9.185  -1.014   3.336
  658   2HB   LEU  90          1HB       LEU  90  10.251  -1.756   4.461
  659    HG   LEU  90           HG       LEU  90   8.275  -1.091   6.121
  660   1HD1  LEU  90          1HD1      LEU  90   6.091  -1.360   5.154
  661   2HD1  LEU  90          2HD1      LEU  90   6.828  -1.289   3.552
  662   3HD1  LEU  90          3HD1      LEU  90   6.941   0.099   4.637
  663   1HD2  LEU  90          1HD2      LEU  90   8.207  -3.460   4.300
  664   2HD2  LEU  90          2HD2      LEU  90   7.318  -3.314   5.823
  665   3HD2  LEU  90          3HD2      LEU  90   9.096  -3.331   5.821
  666    H    ASN  91           H        ASN  91  10.753  -0.181   6.950
  667    HA   ASN  91           HA       ASN  91   8.628   0.323   8.658
  668   1HB   ASN  91          2HB       ASN  91  10.997  -0.775   8.974
  669   2HB   ASN  91          1HB       ASN  91  11.480   0.844   9.445
  670   1HD2  ASN  91          1HD2      ASN  91   9.724  -1.984  10.248
  671   2HD2  ASN  91          2HD2      ASN  91   9.432  -1.654  11.894
  672    H    ASP  92           H        ASP  92  11.148   2.411   7.422
  673    HA   ASP  92           HA       ASP  92  10.299   4.776   8.780
  674   1HB   ASP  92          2HB       ASP  92  12.604   4.566   8.085
  675   2HB   ASP  92          1HB       ASP  92  12.121   4.342   6.410
  676    H    TRP  93           H        TRP  93   9.921   3.491   5.484
  677    HA   TRP  93           HA       TRP  93   8.440   5.540   4.299
  678   1HB   TRP  93          2HB       TRP  93   8.642   2.655   3.872
  679   2HB   TRP  93          1HB       TRP  93   7.418   3.504   2.987
  680    HD1  TRP  93           HD       TRP  93  10.717   2.229   2.489
  681    HE1  TRP  93           1HE      TRP  93  12.069   3.494   0.720
  682    HE3  TRP  93           3HE      TRP  93   7.882   6.468   2.204
  683    HZ2  TRP  93           2HZ      TRP  93  11.962   5.977  -0.621
  684    HZ3  TRP  93           3HZ      TRP  93   8.573   8.242   0.654
  685    HH2  TRP  93           HH       TRP  93  10.571   8.005  -0.732
  686    H    GLU  94           H        GLU  94   7.261   2.956   6.301
  687    HA   GLU  94           HA       GLU  94   4.533   3.179   5.991
  688   1HB   GLU  94          2HB       GLU  94   6.054   2.949   8.590
  689   2HB   GLU  94          1HB       GLU  94   4.346   2.611   8.386
  690   1HG   GLU  94          2HG       GLU  94   4.841   0.788   6.934
  691   2HG   GLU  94          1HG       GLU  94   6.575   1.100   7.021
  692    H    THR  95           H        THR  95   6.493   4.895   8.226
  693    HA   THR  95           HA       THR  95   4.748   6.691   9.386
  694    HB   THR  95           HB       THR  95   7.665   7.058   8.817
  695    HG1  THR  95           1HG      THR  95   6.247   5.582  10.813
  696   1HG2  THR  95          1HG2      THR  95   5.913   7.954  11.130
  697   2HG2  THR  95          2HG2      THR  95   6.543   8.995   9.857
  698   3HG2  THR  95          3HG2      THR  95   7.648   8.236  11.001
  699    H    LYS  96           H        LYS  96   6.460   6.852   6.338
  700    HA   LYS  96           HA       LYS  96   6.378   9.715   6.077
  701   1HB   LYS  96          2HB       LYS  96   7.021   7.548   4.079
  702   2HB   LYS  96          1HB       LYS  96   7.329   9.268   3.850
  703   1HG   LYS  96          2HG       LYS  96   8.486   7.635   6.067
  704   2HG   LYS  96          1HG       LYS  96   9.364   7.881   4.592
  705   1HD   LYS  96          2HD       LYS  96   9.184  10.372   5.054
  706   2HD   LYS  96          1HD       LYS  96   8.481   9.948   6.613
  707   1HE   LYS  96          2HE       LYS  96  10.490   8.689   7.197
  708   2HE   LYS  96          1HE       LYS  96  11.186   9.070   5.631
  709   1HZ   LYS  96          1HZ       LYS  96  12.045  10.492   7.370
  710   2HZ   LYS  96          2HZ       LYS  96  10.508  11.018   7.758
  711   3HZ   LYS  96          3HZ       LYS  96  11.184  11.409   6.247
  712    H    PHE  97           H        PHE  97   4.662   6.959   4.989
  713    HA   PHE  97           HA       PHE  97   2.792   8.451   3.442
  714   1HB   PHE  97          2HB       PHE  97   3.047   5.635   4.347
  715   2HB   PHE  97          1HB       PHE  97   1.564   6.169   3.601
  716    HD1  PHE  97           1HD      PHE  97   5.262   6.119   3.013
  717    HD2  PHE  97           2HD      PHE  97   1.384   5.978   1.276
  718    HE1  PHE  97           1HE      PHE  97   6.266   5.658   0.818
  719    HE2  PHE  97           2HE      PHE  97   2.382   5.520  -0.921
  720    HZ   PHE  97           HZ       PHE  97   4.829   5.359  -1.152
  721    H    GLU  98           H        GLU  98   2.856   6.804   6.553
  722    HA   GLU  98           HA       GLU  98   0.274   7.238   7.425
  723   1HB   GLU  98          2HB       GLU  98   2.852   6.801   8.785
  724   2HB   GLU  98          1HB       GLU  98   1.493   7.017   9.818
  725   1HG   GLU  98          2HG       GLU  98   0.441   5.055   8.504
  726   2HG   GLU  98          1HG       GLU  98   2.055   4.851   7.822
  727    H    ALA  99           H        ALA  99   2.719   9.636   7.148
  728    HA   ALA  99           HA       ALA  99   1.285  11.348   9.046
  729   1HB   ALA  99          1HB       ALA  99   3.696  11.111   9.418
  730   2HB   ALA  99          2HB       ALA  99   3.259  12.773   9.010
  731   3HB   ALA  99          3HB       ALA  99   3.995  11.734   7.792
  732    H    LYS 100           H        LYS 100   1.413  10.708   5.757
  733    HA   LYS 100           HA       LYS 100   0.633  13.455   5.151
  734   1HB   LYS 100          2HB       LYS 100   2.255  11.536   3.531
  735   2HB   LYS 100          1HB       LYS 100   1.360  12.816   2.754
  736   1HG   LYS 100          2HG       LYS 100   3.626  13.522   3.003
  737   2HG   LYS 100          1HG       LYS 100   2.646  14.454   4.122
  738   1HD   LYS 100          2HD       LYS 100   3.387  13.004   5.952
  739   2HD   LYS 100          1HD       LYS 100   4.358  12.061   4.815
  740   1HE   LYS 100          2HE       LYS 100   5.552  14.086   4.212
  741   2HE   LYS 100          1HE       LYS 100   4.666  14.984   5.443
  742   1HZ   LYS 100          1HZ       LYS 100   5.658  13.493   7.133
  743   2HZ   LYS 100          2HZ       LYS 100   6.820  14.337   6.285
  744   3HZ   LYS 100          3HZ       LYS 100   6.547  12.717   5.926
  745    H    TYR 101           H        TYR 101   0.060  10.062   4.473
  746    HA   TYR 101           HA       TYR 101  -2.413  10.779   3.109
  747   1HB   TYR 101          2HB       TYR 101  -0.911   8.161   3.195
  748   2HB   TYR 101          1HB       TYR 101  -2.363   8.512   2.276
  749    HD1  TYR 101           1HD      TYR 101   1.164   8.442   2.253
  750    HD2  TYR 101           2HD      TYR 101  -2.166  10.374   0.473
  751    HE1  TYR 101           1HE      TYR 101   2.582   9.115   0.363
  752    HE2  TYR 101           2HE      TYR 101  -0.758  11.053  -1.434
  753    HH   TYR 101           HH       TYR 101   2.270   9.687  -1.965
  754    HA   PRO 102           HA       PRO 102  -4.371   9.336   6.823
  755   1HB   PRO 102          2HB       PRO 102  -6.912   9.401   5.984
  756   2HB   PRO 102          1HB       PRO 102  -5.994  10.887   6.270
  757   1HG   PRO 102          2HG       PRO 102  -6.560   9.483   3.689
  758   2HG   PRO 102          1HG       PRO 102  -6.666  11.212   4.067
  759   1HD   PRO 102          2HD       PRO 102  -4.514  10.115   2.801
  760   2HD   PRO 102          1HD       PRO 102  -4.401  11.522   3.884
  761    H    VAL 103           H        VAL 103  -4.782   7.402   7.583
  762    HA   VAL 103           HA       VAL 103  -5.029   5.095   5.893
  763    HB   VAL 103           HB       VAL 103  -5.505   5.290   8.902
  764   1HG1  VAL 103          1HG1      VAL 103  -6.616   3.343   7.939
  765   2HG1  VAL 103          2HG1      VAL 103  -5.234   2.840   8.914
  766   3HG1  VAL 103          3HG1      VAL 103  -5.116   2.851   7.154
  767   1HG2  VAL 103          1HG2      VAL 103  -3.275   4.310   9.134
  768   2HG2  VAL 103          2HG2      VAL 103  -3.187   5.843   8.256
  769   3HG2  VAL 103          3HG2      VAL 103  -3.090   4.312   7.388
  770    H    VAL 104           H        VAL 104  -6.759   4.902   4.754
  771    HA   VAL 104           HA       VAL 104  -9.337   5.689   5.906
  772    HB   VAL 104           HB       VAL 104 -10.218   5.664   3.590
  773   1HG1  VAL 104          1HG1      VAL 104  -9.378   7.744   4.547
  774   2HG1  VAL 104          2HG1      VAL 104  -9.038   7.679   2.819
  775   3HG1  VAL 104          3HG1      VAL 104  -7.753   7.359   3.984
  776   1HG2  VAL 104          1HG2      VAL 104  -8.698   4.010   2.630
  777   2HG2  VAL 104          2HG2      VAL 104  -7.348   5.129   2.835
  778   3HG2  VAL 104          3HG2      VAL 104  -8.649   5.520   1.715
  779    H    GLY 105           H        GLY 105  -7.565   2.953   5.620
  780   1HA   GLY 105          2HA       GLY 105  -9.731   1.383   6.330
  781   2HA   GLY 105          1HA       GLY 105  -9.480   1.117   4.637
  782    H    ARG 106           H        ARG 106  -9.149  -0.948   5.134
  783    HA   ARG 106           HA       ARG 106  -6.631  -1.784   6.443
  784   1HB   ARG 106          2HB       ARG 106  -8.607  -2.182   7.868
  785   2HB   ARG 106          1HB       ARG 106  -9.361  -2.887   6.441
  786   1HG   ARG 106          2HG       ARG 106  -8.688  -4.623   8.018
  787   2HG   ARG 106          1HG       ARG 106  -7.841  -4.756   6.483
  788   1HD   ARG 106          2HD       ARG 106  -6.393  -5.134   8.377
  789   2HD   ARG 106          1HD       ARG 106  -5.927  -3.724   7.407
  790    HE   ARG 106           HE       ARG 106  -7.703  -3.013   9.455
  791   1HH1  ARG 106          1HH1      ARG 106  -4.269  -3.811   9.042
  792   2HH1  ARG 106          2HH1      ARG 106  -3.738  -3.033  10.447
  793   1HH2  ARG 106          1HH2      ARG 106  -6.972  -1.937  11.448
  794   2HH2  ARG 106          2HH2      ARG 106  -5.331  -1.961  11.867
  795    H    VAL 107           H        VAL 107  -5.559  -3.247   5.146
  796    HA   VAL 107           HA       VAL 107  -7.214  -4.517   3.143
  797    HB   VAL 107           HB       VAL 107  -5.464  -3.042   2.088
  798   1HG1  VAL 107          1HG1      VAL 107  -3.618  -5.000   3.271
  799   2HG1  VAL 107          2HG1      VAL 107  -3.805  -3.277   3.692
  800   3HG1  VAL 107          3HG1      VAL 107  -3.171  -3.749   2.090
  801   1HG2  VAL 107          1HG2      VAL 107  -6.379  -4.894   0.850
  802   2HG2  VAL 107          2HG2      VAL 107  -5.182  -5.979   1.558
  803   3HG2  VAL 107          3HG2      VAL 107  -4.669  -4.688   0.463
  804    H    VAL 108           H        VAL 108  -7.411  -6.480   3.287
  805    HA   VAL 108           HA       VAL 108  -5.912  -7.918   5.334
  806    HB   VAL 108           HB       VAL 108  -7.971  -9.245   5.630
  807   1HG1  VAL 108          1HG1      VAL 108  -9.464  -7.431   6.386
  808   2HG1  VAL 108          2HG1      VAL 108  -8.612  -6.379   5.279
  809   3HG1  VAL 108          3HG1      VAL 108  -7.752  -6.991   6.707
  810   1HG2  VAL 108          1HG2      VAL 108  -9.987  -8.735   4.422
  811   2HG2  VAL 108          2HG2      VAL 108  -8.718  -9.167   3.238
  812   3HG2  VAL 108          3HG2      VAL 108  -9.136  -7.464   3.567
  813    H    SER 109           H        SER 109  -5.072 -10.000   4.727
  814    HA   SER 109           HA       SER 109  -5.541 -10.753   1.990
  815   1HB   SER 109          2HB       SER 109  -3.125 -10.673   1.410
  816   2HB   SER 109          1HB       SER 109  -3.846  -9.110   1.869
  817    HG   SER 109           HG       SER 109  -2.436 -10.775   3.612
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1 -14.651 -10.010  -2.913
    2   2H    MET   1          2HT       MET   1 -13.210  -9.141  -2.686
    3   3H    MET   1          3HT       MET   1 -14.601  -8.357  -3.297
    4    HA   MET   1           HA       MET   1 -15.717  -8.710  -1.250
    5   1HB   MET   1          2HB       MET   1 -13.079  -9.885  -0.324
    6   2HB   MET   1          1HB       MET   1 -14.457  -9.544   0.701
    7   1HG   MET   1          2HG       MET   1 -14.347 -11.903   0.275
    8   2HG   MET   1          1HG       MET   1 -15.757 -11.242  -0.541
    9   1HE   MET   1          1HE       MET   1 -14.579 -14.196  -2.863
   10   2HE   MET   1          2HE       MET   1 -15.905 -13.539  -1.901
   11   3HE   MET   1          3HE       MET   1 -14.450 -14.134  -1.106
   12    H    GLY   2           H        GLY   2 -15.858  -6.578  -1.021
   13   1HA   GLY   2          2HA       GLY   2 -13.605  -5.191   0.194
   14   2HA   GLY   2          1HA       GLY   2 -14.372  -4.488  -1.236
   15    H    HIS   3           H        HIS   3 -14.395  -4.449   2.052
   16    HA   HIS   3           HA       HIS   3 -16.959  -3.149   2.209
   17   1HB   HIS   3          2HB       HIS   3 -17.992  -4.715   3.790
   18   2HB   HIS   3          1HB       HIS   3 -17.617  -5.572   2.305
   19    HD1  HIS   3           1HD      HIS   3 -17.331  -5.903   5.870
   20    HD2  HIS   3           2HD      HIS   3 -14.998  -7.088   2.637
   21    HE1  HIS   3           1HE      HIS   3 -15.815  -7.694   6.745
   22    HE2  HIS   3           2HE      HIS   3 -14.176  -8.032   4.878
   23    H    HIS   4           H        HIS   4 -17.123  -2.073   4.307
   24    HA   HIS   4           HA       HIS   4 -14.553  -1.752   5.462
   25   1HB   HIS   4          2HB       HIS   4 -15.494  -0.178   7.101
   26   2HB   HIS   4          1HB       HIS   4 -16.200   0.159   5.535
   27    HD1  HIS   4           1HD      HIS   4 -17.086   0.077   8.892
   28    HD2  HIS   4           2HD      HIS   4 -18.906  -1.312   5.447
   29    HE1  HIS   4           1HE      HIS   4 -19.513  -0.212   9.490
   30    HE2  HIS   4           2HE      HIS   4 -20.597  -0.674   7.256
   31    H    HIS   5           H        HIS   5 -13.721  -2.541   7.468
   32    HA   HIS   5           HA       HIS   5 -14.699  -5.197   7.946
   33   1HB   HIS   5          2HB       HIS   5 -12.254  -4.561   8.029
   34   2HB   HIS   5          1HB       HIS   5 -12.583  -3.678   9.511
   35    HD1  HIS   5           1HD      HIS   5 -11.641  -7.026   8.260
   36    HD2  HIS   5           2HD      HIS   5 -13.416  -5.464  11.702
   37    HE1  HIS   5           1HE      HIS   5 -11.394  -8.769  10.016
   38    HE2  HIS   5           2HE      HIS   5 -12.781  -7.941  11.914
   39    H    HIS   6           H        HIS   6 -14.668  -2.182   9.718
   40    HA   HIS   6           HA       HIS   6 -17.128  -2.603  10.899
   41   1HB   HIS   6          2HB       HIS   6 -16.522  -2.742  13.292
   42   2HB   HIS   6          1HB       HIS   6 -15.789  -4.086  12.453
   43    HD1  HIS   6           1HD      HIS   6 -15.064  -1.766  15.004
   44    HD2  HIS   6           2HD      HIS   6 -12.869  -3.314  11.830
   45    HE1  HIS   6           1HE      HIS   6 -12.679  -1.435  15.622
   46    HE2  HIS   6           2HE      HIS   6 -11.413  -2.706  13.853
   47    H    HIS   7           H        HIS   7 -16.914  -0.600  12.912
   48    HA   HIS   7           HA       HIS   7 -16.199   1.601  11.231
   49   1HB   HIS   7          2HB       HIS   7 -17.203   1.634  14.084
   50   2HB   HIS   7          1HB       HIS   7 -16.766   3.091  13.204
   51    HD1  HIS   7           1HD      HIS   7 -18.347   3.848  11.312
   52    HD2  HIS   7           2HD      HIS   7 -19.630   0.474  13.352
   53    HE1  HIS   7           1HE      HIS   7 -20.750   3.539  10.650
   54    HE2  HIS   7           2HE      HIS   7 -21.557   1.698  12.147
   55    H    HIS   8           H        HIS   8 -14.143   0.886  10.897
   56    HA   HIS   8           HA       HIS   8 -12.174   2.552  11.622
   57   1HB   HIS   8          2HB       HIS   8 -12.264   1.585  13.943
   58   2HB   HIS   8          1HB       HIS   8 -11.883   0.006  13.270
   59    HD1  HIS   8           1HD      HIS   8  -9.437  -0.557  13.192
   60    HD2  HIS   8           2HD      HIS   8 -10.089   3.531  13.529
   61    HE1  HIS   8           1HE      HIS   8  -7.179   0.453  13.565
   62    HE2  HIS   8           2HE      HIS   8  -7.672   2.852  14.102
   63    H    LEU   9           H        LEU   9 -11.372   2.361   9.685
   64    HA   LEU   9           HA       LEU   9 -10.216   1.648   7.917
   65   1HB   LEU   9          2HB       LEU   9  -9.610  -0.890   9.438
   66   2HB   LEU   9          1HB       LEU   9  -8.816  -0.313   8.007
   67    HG   LEU   9           HG       LEU   9  -8.681   1.001  10.721
   68   1HD1  LEU   9          1HD1      LEU   9  -6.610  -0.490   9.134
   69   2HD1  LEU   9          2HD1      LEU   9  -7.426  -1.056  10.592
   70   3HD1  LEU   9          3HD1      LEU   9  -6.343   0.335  10.673
   71   1HD2  LEU   9          1HD2      LEU   9  -7.315   1.748   8.137
   72   2HD2  LEU   9          2HD2      LEU   9  -7.010   2.479   9.709
   73   3HD2  LEU   9          3HD2      LEU   9  -8.586   2.674   8.938
   74    H    GLU  10           H        GLU  10 -11.315   1.351   6.191
   75    HA   GLU  10           HA       GLU  10 -13.154  -0.736   5.980
   76   1HB   GLU  10          2HB       GLU  10 -13.291   0.053   3.487
   77   2HB   GLU  10          1HB       GLU  10 -13.917   1.084   4.750
   78   1HG   GLU  10          2HG       GLU  10 -11.129   1.457   3.692
   79   2HG   GLU  10          1HG       GLU  10 -12.523   2.134   2.851
   80    H    GLU  11           H        GLU  11 -12.859  -2.758   5.298
   81    HA   GLU  11           HA       GLU  11 -10.208  -3.564   4.769
   82   1HB   GLU  11          2HB       GLU  11 -11.257  -4.884   6.260
   83   2HB   GLU  11          1HB       GLU  11 -12.772  -5.007   5.330
   84   1HG   GLU  11          2HG       GLU  11 -11.591  -6.343   3.743
   85   2HG   GLU  11          1HG       GLU  11 -10.102  -6.249   4.632
   86    H    PHE  12           H        PHE  12  -9.401  -4.083   3.002
   87    HA   PHE  12           HA       PHE  12 -10.914  -4.541   0.529
   88   1HB   PHE  12          2HB       PHE  12  -8.254  -3.380   1.171
   89   2HB   PHE  12          1HB       PHE  12  -8.716  -4.027  -0.386
   90    HD1  PHE  12           1HD      PHE  12 -10.517  -2.766  -1.678
   91    HD2  PHE  12           2HD      PHE  12  -8.896  -1.199   1.949
   92    HE1  PHE  12           1HE      PHE  12 -11.429  -0.549  -2.215
   93    HE2  PHE  12           2HE      PHE  12  -9.804   0.989   1.415
   94    HZ   PHE  12           HZ       PHE  12 -11.080   1.332  -0.671
   95    H    THR  13           H        THR  13 -10.030  -6.315  -0.748
   96    HA   THR  13           HA       THR  13  -8.113  -7.849   0.790
   97    HB   THR  13           HB       THR  13  -9.868  -8.798  -1.490
   98    HG1  THR  13           1HG      THR  13 -11.327  -8.458   0.036
   99   1HG2  THR  13          1HG2      THR  13  -7.897 -10.091  -1.073
  100   2HG2  THR  13          2HG2      THR  13  -9.322 -11.009  -0.510
  101   3HG2  THR  13          3HG2      THR  13  -8.268 -10.142   0.642
  102    H    ALA  14           H        ALA  14  -6.348  -8.789  -0.549
  103    HA   ALA  14           HA       ALA  14  -5.176  -6.590  -1.879
  104   1HB   ALA  14          1HB       ALA  14  -3.899  -8.143  -0.497
  105   2HB   ALA  14          2HB       ALA  14  -3.186  -7.846  -2.078
  106   3HB   ALA  14          3HB       ALA  14  -4.041  -9.367  -1.767
  107    H    GLU  15           H        GLU  15  -6.462  -9.606  -3.184
  108    HA   GLU  15           HA       GLU  15  -5.644  -9.050  -5.849
  109   1HB   GLU  15          2HB       GLU  15  -8.035 -10.674  -4.960
  110   2HB   GLU  15          1HB       GLU  15  -7.324 -10.689  -6.565
  111   1HG   GLU  15          2HG       GLU  15  -5.237 -11.573  -5.572
  112   2HG   GLU  15          1HG       GLU  15  -6.067 -11.658  -4.018
  113    H    GLN  16           H        GLN  16  -8.320  -8.039  -3.906
  114    HA   GLN  16           HA       GLN  16  -9.693  -6.883  -6.120
  115   1HB   GLN  16          2HB       GLN  16 -10.194  -6.645  -3.162
  116   2HB   GLN  16          1HB       GLN  16 -11.149  -5.769  -4.336
  117   1HG   GLN  16          2HG       GLN  16 -12.470  -7.604  -4.060
  118   2HG   GLN  16          1HG       GLN  16 -11.424  -8.132  -5.367
  119   1HE2  GLN  16          1HE2      GLN  16  -9.790  -9.683  -4.889
  120   2HE2  GLN  16          2HE2      GLN  16  -9.922 -10.679  -3.489
  121    H    LEU  17           H        LEU  17  -7.482  -5.771  -3.714
  122    HA   LEU  17           HA       LEU  17  -7.838  -3.023  -3.977
  123   1HB   LEU  17          2HB       LEU  17  -6.571  -4.166  -2.173
  124   2HB   LEU  17          1HB       LEU  17  -5.299  -4.448  -3.363
  125    HG   LEU  17           HG       LEU  17  -5.095  -2.002  -3.669
  126   1HD1  LEU  17          1HD1      LEU  17  -6.931  -1.894  -1.313
  127   2HD1  LEU  17          2HD1      LEU  17  -7.254  -1.270  -2.941
  128   3HD1  LEU  17          3HD1      LEU  17  -6.003  -0.534  -1.933
  129   1HD2  LEU  17          1HD2      LEU  17  -3.911  -1.576  -1.626
  130   2HD2  LEU  17          2HD2      LEU  17  -3.569  -3.193  -2.272
  131   3HD2  LEU  17          3HD2      LEU  17  -4.658  -2.994  -0.875
  132    H    SER  18           H        SER  18  -6.012  -5.304  -5.938
  133    HA   SER  18           HA       SER  18  -4.224  -3.449  -7.054
  134   1HB   SER  18          2HB       SER  18  -3.762  -5.328  -8.642
  135   2HB   SER  18          1HB       SER  18  -3.582  -5.700  -6.935
  136    HG   SER  18           HG       SER  18  -5.011  -6.999  -8.626
  137    H    GLN  19           H        GLN  19  -7.275  -3.278  -7.410
  138    HA   GLN  19           HA       GLN  19  -7.316  -2.635 -10.297
  139   1HB   GLN  19          2HB       GLN  19  -9.588  -2.948  -8.333
  140   2HB   GLN  19          1HB       GLN  19  -9.752  -2.669 -10.064
  141   1HG   GLN  19          2HG       GLN  19  -8.792  -4.792 -10.567
  142   2HG   GLN  19          1HG       GLN  19  -8.384  -5.064  -8.876
  143   1HE2  GLN  19          1HE2      GLN  19  -9.994  -5.491  -7.453
  144   2HE2  GLN  19          2HE2      GLN  19 -11.541  -6.100  -7.920
  145    H    TYR  20           H        TYR  20  -7.120  -1.368  -7.195
  146    HA   TYR  20           HA       TYR  20  -8.295   1.219  -7.793
  147   1HB   TYR  20          2HB       TYR  20  -7.174  -0.067  -5.310
  148   2HB   TYR  20          1HB       TYR  20  -7.750   1.589  -5.313
  149    HD1  TYR  20           1HD      TYR  20 -10.182   2.033  -5.672
  150    HD2  TYR  20           2HD      TYR  20  -8.672  -1.913  -5.305
  151    HE1  TYR  20           1HE      TYR  20 -12.454   1.220  -5.272
  152    HE2  TYR  20           2HE      TYR  20 -10.938  -2.761  -4.887
  153    HH   TYR  20           HH       TYR  20 -13.714  -0.848  -5.433
  154    H    ASN  21           H        ASN  21  -6.085   0.496  -9.282
  155    HA   ASN  21           HA       ASN  21  -3.729   1.708  -8.178
  156   1HB   ASN  21          2HB       ASN  21  -2.703   1.287 -10.385
  157   2HB   ASN  21          1HB       ASN  21  -3.398  -0.141  -9.665
  158   1HD2  ASN  21          1HD2      ASN  21  -3.494  -1.151 -11.681
  159   2HD2  ASN  21          2HD2      ASN  21  -4.690  -0.750 -12.851
  160    H    GLY  22           H        GLY  22  -6.435   2.850  -9.761
  161   1HA   GLY  22          2HA       GLY  22  -6.969   5.162  -9.860
  162   2HA   GLY  22          1HA       GLY  22  -5.249   5.498  -9.709
  163    H    THR  23           H        THR  23  -5.147   3.377 -12.077
  164    HA   THR  23           HA       THR  23  -5.412   5.582 -13.944
  165    HB   THR  23           HB       THR  23  -3.251   4.477 -13.904
  166    HG1  THR  23           1HG      THR  23  -4.861   4.339 -16.244
  167   1HG2  THR  23          1HG2      THR  23  -4.734   2.072 -14.977
  168   2HG2  THR  23          2HG2      THR  23  -3.932   2.179 -13.413
  169   3HG2  THR  23          3HG2      THR  23  -2.979   2.213 -14.898
  170    H    ASP  24           H        ASP  24  -7.148   3.002 -12.938
  171    HA   ASP  24           HA       ASP  24  -8.230   2.491 -15.512
  172   1HB   ASP  24          2HB       ASP  24  -8.346   0.680 -13.739
  173   2HB   ASP  24          1HB       ASP  24  -9.426   1.717 -12.871
  174    H    GLU  25           H        GLU  25  -8.770   4.575 -16.123
  175    HA   GLU  25           HA       GLU  25 -10.108   6.180 -16.669
  176   1HB   GLU  25          2HB       GLU  25 -12.119   4.827 -14.893
  177   2HB   GLU  25          1HB       GLU  25 -12.460   6.162 -15.983
  178   1HG   GLU  25          2HG       GLU  25 -11.826   4.740 -17.875
  179   2HG   GLU  25          1HG       GLU  25 -11.541   3.409 -16.751
  180    H    SER  26           H        SER  26 -10.917   5.504 -13.360
  181    HA   SER  26           HA       SER  26  -9.919   7.966 -12.368
  182   1HB   SER  26          2HB       SER  26 -11.589   8.878 -13.651
  183   2HB   SER  26          1HB       SER  26 -12.716   7.593 -13.222
  184    HG   SER  26           HG       SER  26 -12.479   8.550 -11.019
  185    H    LYS  27           H        LYS  27 -10.359   4.850 -11.783
  186    HA   LYS  27           HA       LYS  27 -12.043   4.830  -9.511
  187   1HB   LYS  27          2HB       LYS  27  -9.849   2.780 -10.090
  188   2HB   LYS  27          1HB       LYS  27 -11.117   2.623  -8.916
  189   1HG   LYS  27          2HG       LYS  27 -12.602   2.999 -11.217
  190   2HG   LYS  27          1HG       LYS  27 -11.180   2.214 -11.800
  191   1HD   LYS  27          2HD       LYS  27 -12.662   1.098  -9.438
  192   2HD   LYS  27          1HD       LYS  27 -13.051   0.669 -11.098
  193   1HE   LYS  27          2HE       LYS  27 -10.285   0.395  -9.955
  194   2HE   LYS  27          1HE       LYS  27 -11.485  -0.881  -9.812
  195   1HZ   LYS  27          1HZ       LYS  27 -10.715   0.260 -12.446
  196   2HZ   LYS  27          2HZ       LYS  27 -11.537  -1.164 -12.129
  197   3HZ   LYS  27          3HZ       LYS  27  -9.914  -1.042 -11.754
  198    HA   PRO  28           HA       PRO  28  -9.697   6.573  -6.162
  199   1HB   PRO  28          2HB       PRO  28 -10.513   4.100  -4.695
  200   2HB   PRO  28          1HB       PRO  28 -10.661   5.790  -4.192
  201   1HG   PRO  28          2HG       PRO  28 -12.805   4.516  -5.025
  202   2HG   PRO  28          1HG       PRO  28 -12.493   6.170  -5.593
  203   1HD   PRO  28          2HD       PRO  28 -12.086   3.575  -7.021
  204   2HD   PRO  28          1HD       PRO  28 -12.738   5.112  -7.631
  205    H    ILE  29           H        ILE  29  -7.733   6.280  -5.020
  206    HA   ILE  29           HA       ILE  29  -6.155   3.968  -5.965
  207    HB   ILE  29           HB       ILE  29  -4.983   6.681  -5.338
  208   1HG1  ILE  29          2HG1      ILE  29  -6.016   5.705  -7.994
  209   2HG1  ILE  29          1HG1      ILE  29  -6.700   7.011  -7.055
  210   1HG2  ILE  29          1HG2      ILE  29  -3.186   5.861  -6.787
  211   2HG2  ILE  29          2HG2      ILE  29  -4.135   4.433  -7.168
  212   3HG2  ILE  29          3HG2      ILE  29  -3.514   4.650  -5.537
  213   1HD1  ILE  29          1HD1      ILE  29  -3.951   6.994  -8.270
  214   2HD1  ILE  29          2HD1      ILE  29  -4.648   8.293  -7.303
  215   3HD1  ILE  29          3HD1      ILE  29  -5.349   7.889  -8.868
  216    H    TYR  30           H        TYR  30  -4.858   2.935  -4.331
  217    HA   TYR  30           HA       TYR  30  -4.804   4.149  -1.729
  218   1HB   TYR  30          2HB       TYR  30  -6.117   1.502  -2.334
  219   2HB   TYR  30          1HB       TYR  30  -5.667   2.043  -0.726
  220    HD1  TYR  30           1HD      TYR  30  -6.748   4.276   0.058
  221    HD2  TYR  30           2HD      TYR  30  -8.240   1.927  -3.154
  222    HE1  TYR  30           1HE      TYR  30  -8.945   5.344   0.306
  223    HE2  TYR  30           2HE      TYR  30 -10.436   2.990  -2.916
  224    HH   TYR  30           HH       TYR  30 -10.892   5.782  -1.101
  225    H    VAL  31           H        VAL  31  -3.144   3.309  -0.524
  226    HA   VAL  31           HA       VAL  31  -1.610   1.166  -1.773
  227    HB   VAL  31           HB       VAL  31  -0.392   3.264  -2.270
  228   1HG1  VAL  31          1HG1      VAL  31   0.582   4.619  -0.606
  229   2HG1  VAL  31          2HG1      VAL  31  -0.237   3.720   0.673
  230   3HG1  VAL  31          3HG1      VAL  31  -1.179   4.676  -0.505
  231   1HG2  VAL  31          1HG2      VAL  31   1.728   2.749  -1.241
  232   2HG2  VAL  31          2HG2      VAL  31   0.843   1.367  -1.961
  233   3HG2  VAL  31          3HG2      VAL  31   0.877   1.575  -0.191
  234    H    ALA  32           H        ALA  32  -0.763  -0.354  -0.365
  235    HA   ALA  32           HA       ALA  32  -1.719   0.006   2.384
  236   1HB   ALA  32          1HB       ALA  32  -1.423  -2.613   0.934
  237   2HB   ALA  32          2HB       ALA  32  -2.923  -1.715   1.118
  238   3HB   ALA  32          3HB       ALA  32  -2.097  -2.352   2.538
  239    H    ILE  33           H        ILE  33  -0.366   0.060   3.940
  240    HA   ILE  33           HA       ILE  33   2.259  -1.273   3.717
  241    HB   ILE  33           HB       ILE  33   1.737   1.407   5.082
  242   1HG1  ILE  33          2HG1      ILE  33   3.197   0.829   2.496
  243   2HG1  ILE  33          1HG1      ILE  33   1.653   1.656   2.647
  244   1HG2  ILE  33          1HG2      ILE  33   4.300  -0.111   4.634
  245   2HG2  ILE  33          2HG2      ILE  33   3.509   0.174   6.187
  246   3HG2  ILE  33          3HG2      ILE  33   4.199   1.523   5.270
  247   1HD1  ILE  33          1HD1      ILE  33   2.752   3.475   3.867
  248   2HD1  ILE  33          2HD1      ILE  33   3.476   3.210   2.272
  249   3HD1  ILE  33          3HD1      ILE  33   4.291   2.613   3.726
  250    H    LYS  34           H        LYS  34   2.326  -2.840   5.201
  251    HA   LYS  34           HA       LYS  34   2.106  -4.062   7.109
  252   1HB   LYS  34          2HB       LYS  34   1.244  -1.438   8.353
  253   2HB   LYS  34          1HB       LYS  34   1.414  -2.927   9.262
  254   1HG   LYS  34          2HG       LYS  34   3.632  -1.531   7.778
  255   2HG   LYS  34          1HG       LYS  34   3.315  -1.385   9.507
  256   1HD   LYS  34          2HD       LYS  34   3.662  -3.824   9.732
  257   2HD   LYS  34          1HD       LYS  34   4.063  -3.899   8.016
  258   1HE   LYS  34          2HE       LYS  34   6.093  -3.827   9.367
  259   2HE   LYS  34          1HE       LYS  34   5.944  -2.376   8.387
  260   1HZ   LYS  34          1HZ       LYS  34   6.661  -1.940  10.652
  261   2HZ   LYS  34          2HZ       LYS  34   5.194  -2.516  11.274
  262   3HZ   LYS  34          3HZ       LYS  34   5.244  -1.145  10.257
  263    H    GLY  35           H        GLY  35  -0.142  -3.107   5.279
  264   1HA   GLY  35          2HA       GLY  35  -2.108  -4.323   4.946
  265   2HA   GLY  35          1HA       GLY  35  -2.267  -4.603   6.658
  266    H    ARG  36           H        ARG  36  -1.427  -1.518   6.754
  267    HA   ARG  36           HA       ARG  36  -4.104  -0.541   6.983
  268   1HB   ARG  36          2HB       ARG  36  -1.457   0.921   7.044
  269   2HB   ARG  36          1HB       ARG  36  -2.989   1.495   7.680
  270   1HG   ARG  36          2HG       ARG  36  -2.936  -0.172   9.429
  271   2HG   ARG  36          1HG       ARG  36  -1.480  -0.881   8.711
  272   1HD   ARG  36          2HD       ARG  36  -1.717   1.897   9.858
  273   2HD   ARG  36          1HD       ARG  36  -0.912   0.530  10.627
  274    HE   ARG  36           HE       ARG  36  -0.049   1.706   8.070
  275   1HH1  ARG  36          1HH1      ARG  36   0.746   0.286  11.207
  276   2HH1  ARG  36          2HH1      ARG  36   2.425   0.452  11.009
  277   1HH2  ARG  36          1HH2      ARG  36   2.314   1.908   7.817
  278   2HH2  ARG  36          2HH2      ARG  36   3.312   1.340   9.085
  279    H    VAL  37           H        VAL  37  -5.119   0.518   5.385
  280    HA   VAL  37           HA       VAL  37  -3.668   0.921   2.907
  281    HB   VAL  37           HB       VAL  37  -6.645   0.929   3.494
  282   1HG1  VAL  37          1HG1      VAL  37  -6.115   2.473   1.666
  283   2HG1  VAL  37          2HG1      VAL  37  -6.929   1.017   1.067
  284   3HG1  VAL  37          3HG1      VAL  37  -5.175   1.189   0.903
  285   1HG2  VAL  37          1HG2      VAL  37  -5.616  -1.265   3.571
  286   2HG2  VAL  37          2HG2      VAL  37  -4.884  -0.977   1.989
  287   3HG2  VAL  37          3HG2      VAL  37  -6.640  -1.102   2.138
  288    H    PHE  38           H        PHE  38  -3.160   2.831   2.155
  289    HA   PHE  38           HA       PHE  38  -3.949   5.264   3.634
  290   1HB   PHE  38          2HB       PHE  38  -1.682   4.727   1.714
  291   2HB   PHE  38          1HB       PHE  38  -1.953   6.250   2.531
  292    HD1  PHE  38           1HD      PHE  38  -1.693   2.662   3.620
  293    HD2  PHE  38           2HD      PHE  38  -0.335   6.656   4.129
  294    HE1  PHE  38           1HE      PHE  38  -0.193   1.918   5.401
  295    HE2  PHE  38           2HE      PHE  38   1.164   5.912   5.913
  296    HZ   PHE  38           HZ       PHE  38   1.246   3.543   6.551
  297    H    ASP  39           H        ASP  39  -4.964   6.932   2.438
  298    HA   ASP  39           HA       ASP  39  -5.836   6.203  -0.233
  299   1HB   ASP  39          2HB       ASP  39  -7.494   7.348   1.172
  300   2HB   ASP  39          1HB       ASP  39  -6.426   8.746   1.313
  301    H    VAL  40           H        VAL  40  -4.870   6.705  -1.980
  302    HA   VAL  40           HA       VAL  40  -3.275   9.130  -2.007
  303    HB   VAL  40           HB       VAL  40  -1.742   8.035  -3.702
  304   1HG1  VAL  40          1HG1      VAL  40  -0.377   6.884  -1.996
  305   2HG1  VAL  40          2HG1      VAL  40  -1.764   6.891  -0.899
  306   3HG1  VAL  40          3HG1      VAL  40  -1.024   8.411  -1.400
  307   1HG2  VAL  40          1HG2      VAL  40  -3.138   6.140  -4.268
  308   2HG2  VAL  40          2HG2      VAL  40  -2.996   5.516  -2.624
  309   3HG2  VAL  40          3HG2      VAL  40  -1.574   5.589  -3.668
  310    H    THR  41           H        THR  41  -6.044   8.270  -2.808
  311    HA   THR  41           HA       THR  41  -6.319   8.568  -5.619
  312    HB   THR  41           HB       THR  41  -8.253   9.517  -3.476
  313    HG1  THR  41           1HG      THR  41  -8.231   7.530  -2.874
  314   1HG2  THR  41          1HG2      THR  41  -8.799  10.152  -5.785
  315   2HG2  THR  41          2HG2      THR  41  -9.961   8.967  -5.179
  316   3HG2  THR  41          3HG2      THR  41  -8.675   8.471  -6.282
  317    H    THR  42           H        THR  42  -6.214  10.616  -2.834
  318    HA   THR  42           HA       THR  42  -6.642  13.106  -3.967
  319    HB   THR  42           HB       THR  42  -5.359  13.824  -1.866
  320    HG1  THR  42           1HG      THR  42  -5.735  11.134  -1.027
  321   1HG2  THR  42          1HG2      THR  42  -7.767  12.004  -1.613
  322   2HG2  THR  42          2HG2      THR  42  -7.819  13.723  -1.994
  323   3HG2  THR  42          3HG2      THR  42  -7.253  13.187  -0.411
  324    H    GLY  43           H        GLY  43  -3.874  11.045  -4.032
  325   1HA   GLY  43          2HA       GLY  43  -2.228  13.213  -5.175
  326   2HA   GLY  43          1HA       GLY  43  -1.567  11.808  -4.338
  327    H    LYS  44           H        LYS  44  -4.154  11.956  -6.772
  328    HA   LYS  44           HA       LYS  44  -3.302   9.712  -8.099
  329   1HB   LYS  44          2HB       LYS  44  -5.585  10.261  -8.172
  330   2HB   LYS  44          1HB       LYS  44  -5.274  11.886  -8.733
  331   1HG   LYS  44          2HG       LYS  44  -4.565   9.552 -10.450
  332   2HG   LYS  44          1HG       LYS  44  -6.243  10.062 -10.345
  333   1HD   LYS  44          2HD       LYS  44  -3.931  11.857 -11.088
  334   2HD   LYS  44          1HD       LYS  44  -4.979  11.046 -12.252
  335   1HE   LYS  44          2HE       LYS  44  -6.908  12.243 -11.360
  336   2HE   LYS  44          1HE       LYS  44  -5.902  13.034 -10.157
  337   1HZ   LYS  44          1HZ       LYS  44  -6.387  14.451 -12.022
  338   2HZ   LYS  44          2HZ       LYS  44  -5.673  13.404 -13.119
  339   3HZ   LYS  44          3HZ       LYS  44  -4.740  14.189 -11.952
  340    H    SER  45           H        SER  45  -2.374  13.013  -8.604
  341    HA   SER  45           HA       SER  45  -1.253  12.484 -11.160
  342   1HB   SER  45          2HB       SER  45  -0.821  14.794  -9.263
  343   2HB   SER  45          1HB       SER  45  -0.270  14.741 -10.940
  344    HG   SER  45           HG       SER  45  -2.805  15.131  -9.914
  345    H    PHE  46           H        PHE  46  -0.256  11.548  -8.101
  346    HA   PHE  46           HA       PHE  46   2.543  11.413  -8.978
  347   1HB   PHE  46          2HB       PHE  46   1.441  11.290  -6.161
  348   2HB   PHE  46          1HB       PHE  46   3.138  11.160  -6.593
  349    HD1  PHE  46           1HD      PHE  46   4.320  13.136  -7.530
  350    HD2  PHE  46           2HD      PHE  46   0.356  13.388  -5.996
  351    HE1  PHE  46           1HE      PHE  46   4.545  15.578  -7.357
  352    HE2  PHE  46           2HE      PHE  46   0.571  15.834  -5.830
  353    HZ   PHE  46           HZ       PHE  46   2.668  16.932  -6.509
  354    H    TYR  47           H        TYR  47  -0.165   9.585  -7.701
  355    HA   TYR  47           HA       TYR  47   1.399   7.110  -7.887
  356   1HB   TYR  47          2HB       TYR  47  -1.117   7.742  -6.367
  357   2HB   TYR  47          1HB       TYR  47  -0.469   6.115  -6.508
  358    HD1  TYR  47           1HD      TYR  47   0.299   9.521  -5.294
  359    HD2  TYR  47           2HD      TYR  47   1.271   5.391  -5.115
  360    HE1  TYR  47           1HE      TYR  47   1.779   9.960  -3.404
  361    HE2  TYR  47           2HE      TYR  47   2.766   5.824  -3.213
  362    HH   TYR  47           HH       TYR  47   4.026   7.694  -2.276
  363    H    GLY  48           H        GLY  48  -1.503   8.607  -9.159
  364   1HA   GLY  48          2HA       GLY  48  -2.386   6.079 -10.347
  365   2HA   GLY  48          1HA       GLY  48  -3.258   7.582 -10.300
  366    H    SER  49           H        SER  49  -2.608   9.277 -11.714
  367    HA   SER  49           HA       SER  49  -2.104   8.126 -14.343
  368   1HB   SER  49          2HB       SER  49  -4.066   9.494 -13.880
  369   2HB   SER  49          1HB       SER  49  -3.045  10.897 -13.582
  370    HG   SER  49           HG       SER  49  -3.394   9.449 -15.985
  371    H    GLY  50           H        GLY  50  -0.242   9.322 -12.064
  372   1HA   GLY  50          2HA       GLY  50   1.857  10.102 -13.945
  373   2HA   GLY  50          1HA       GLY  50   1.498  11.189 -12.589
  374    H    GLY  51           H        GLY  51   1.104   7.813 -12.606
  375   1HA   GLY  51          2HA       GLY  51   2.159   7.518 -10.045
  376   2HA   GLY  51          1HA       GLY  51   1.668   6.232 -11.116
  377    H    ASP  52           H        ASP  52   4.249   8.207  -9.989
  378    HA   ASP  52           HA       ASP  52   6.335   6.651 -11.282
  379   1HB   ASP  52          2HB       ASP  52   6.743   9.001 -10.507
  380   2HB   ASP  52          1HB       ASP  52   6.472   8.476  -8.850
  381    H    TYR  53           H        TYR  53   4.378   6.650  -8.580
  382    HA   TYR  53           HA       TYR  53   5.605   4.264  -7.385
  383   1HB   TYR  53          2HB       TYR  53   3.656   6.258  -6.196
  384   2HB   TYR  53          1HB       TYR  53   4.356   4.880  -5.364
  385    HD1  TYR  53           1HD      TYR  53   4.767   8.323  -6.284
  386    HD2  TYR  53           2HD      TYR  53   6.855   4.867  -4.946
  387    HE1  TYR  53           1HE      TYR  53   6.619   9.737  -5.554
  388    HE2  TYR  53           2HE      TYR  53   8.726   6.280  -4.205
  389    HH   TYR  53           HH       TYR  53   9.648   8.468  -4.727
  390    H    SER  54           H        SER  54   3.996   4.216  -9.772
  391    HA   SER  54           HA       SER  54   1.265   3.775  -9.269
  392   1HB   SER  54          2HB       SER  54   2.166   4.347 -11.507
  393   2HB   SER  54          1HB       SER  54   2.944   2.757 -11.562
  394    HG   SER  54           HG       SER  54   0.454   2.282 -11.028
  395    H    MET  55           H        MET  55   3.983   1.751  -8.685
  396    HA   MET  55           HA       MET  55   2.397  -0.678  -8.630
  397   1HB   MET  55          2HB       MET  55   5.246  -0.186  -7.775
  398   2HB   MET  55          1HB       MET  55   4.449  -1.754  -7.710
  399   1HG   MET  55          2HG       MET  55   4.974  -0.104 -10.143
  400   2HG   MET  55          1HG       MET  55   5.819  -1.567  -9.685
  401   1HE   MET  55          1HE       MET  55   3.744  -2.767 -12.802
  402   2HE   MET  55          2HE       MET  55   5.351  -2.635 -12.086
  403   3HE   MET  55          3HE       MET  55   4.474  -1.180 -12.570
  404    H    PHE  56           H        PHE  56   2.858   1.870  -6.664
  405    HA   PHE  56           HA       PHE  56   2.283   0.449  -4.175
  406   1HB   PHE  56          2HB       PHE  56   2.570   3.413  -4.793
  407   2HB   PHE  56          1HB       PHE  56   2.295   2.713  -3.207
  408    HD1  PHE  56           1HD      PHE  56   4.108   3.032  -1.901
  409    HD2  PHE  56           2HD      PHE  56   4.746   1.918  -5.952
  410    HE1  PHE  56           1HE      PHE  56   6.488   2.964  -1.493
  411    HE2  PHE  56           2HE      PHE  56   7.168   1.841  -5.554
  412    HZ   PHE  56           HZ       PHE  56   8.058   2.363  -3.318
  413    H    ALA  57           H        ALA  57   1.027   2.637  -6.518
  414    HA   ALA  57           HA       ALA  57  -1.503   3.178  -5.509
  415   1HB   ALA  57          1HB       ALA  57  -2.060   3.816  -7.780
  416   2HB   ALA  57          2HB       ALA  57  -0.664   2.934  -8.379
  417   3HB   ALA  57          3HB       ALA  57  -0.425   4.364  -7.386
  418    H    GLY  58           H        GLY  58  -2.807   1.564  -4.864
  419   1HA   GLY  58          2HA       GLY  58  -4.469   0.024  -5.270
  420   2HA   GLY  58          1HA       GLY  58  -3.855  -0.171  -6.893
  421    H    LYS  59           H        LYS  59  -1.409  -0.373  -4.507
  422    HA   LYS  59           HA       LYS  59  -1.750  -3.178  -4.400
  423   1HB   LYS  59          2HB       LYS  59  -0.667  -2.917  -6.541
  424   2HB   LYS  59          1HB       LYS  59   0.529  -1.865  -5.835
  425   1HG   LYS  59          2HG       LYS  59   1.291  -4.165  -6.434
  426   2HG   LYS  59          1HG       LYS  59   1.604  -3.628  -4.787
  427   1HD   LYS  59          2HD       LYS  59   0.818  -6.006  -5.085
  428   2HD   LYS  59          1HD       LYS  59  -0.030  -5.038  -3.894
  429   1HE   LYS  59          2HE       LYS  59  -1.846  -4.690  -5.456
  430   2HE   LYS  59          1HE       LYS  59  -1.009  -5.555  -6.712
  431   1HZ   LYS  59          1HZ       LYS  59  -2.648  -6.978  -5.529
  432   2HZ   LYS  59          2HZ       LYS  59  -1.814  -6.653  -4.070
  433   3HZ   LYS  59          3HZ       LYS  59  -1.066  -7.517  -5.292
  434    H    ASP  60           H        ASP  60  -1.091  -4.101  -2.749
  435    HA   ASP  60           HA       ASP  60  -0.120  -2.921  -0.465
  436   1HB   ASP  60          2HB       ASP  60   0.387  -5.391   0.113
  437   2HB   ASP  60          1HB       ASP  60  -1.289  -4.945  -0.204
  438    H    ALA  61           H        ALA  61   1.677  -1.828  -0.491
  439    HA   ALA  61           HA       ALA  61   4.014  -2.879  -1.915
  440   1HB   ALA  61          1HB       ALA  61   4.775  -0.561  -1.969
  441   2HB   ALA  61          2HB       ALA  61   3.362  -0.075  -1.035
  442   3HB   ALA  61          3HB       ALA  61   3.162  -0.729  -2.658
  443    H    SER  62           H        SER  62   3.151  -3.584   0.855
  444    HA   SER  62           HA       SER  62   4.746  -2.245   2.744
  445   1HB   SER  62          2HB       SER  62   3.751  -5.100   2.832
  446   2HB   SER  62          1HB       SER  62   4.320  -4.156   4.210
  447    HG   SER  62           HG       SER  62   2.352  -2.970   2.666
  448    H    ARG  63           H        ARG  63   5.412  -5.332   1.061
  449    HA   ARG  63           HA       ARG  63   8.090  -5.502   1.978
  450   1HB   ARG  63          2HB       ARG  63   7.087  -7.533   1.188
  451   2HB   ARG  63          1HB       ARG  63   6.683  -6.803  -0.362
  452   1HG   ARG  63          2HG       ARG  63   9.063  -6.651  -0.911
  453   2HG   ARG  63          1HG       ARG  63   9.471  -7.406   0.624
  454   1HD   ARG  63          2HD       ARG  63   8.509  -9.472  -0.055
  455   2HD   ARG  63          1HD       ARG  63   7.722  -8.723  -1.448
  456    HE   ARG  63           HE       ARG  63  10.133  -8.235  -2.162
  457   1HH1  ARG  63          1HH1      ARG  63   9.226 -11.221  -0.429
  458   2HH1  ARG  63          2HH1      ARG  63  10.403 -12.134  -1.209
  459   1HH2  ARG  63          1HH2      ARG  63  11.702  -9.559  -3.231
  460   2HH2  ARG  63          2HH2      ARG  63  11.844 -11.211  -2.806
  461    H    ALA  64           H        ALA  64   6.595  -3.705  -0.551
  462    HA   ALA  64           HA       ALA  64   8.786  -3.635  -2.386
  463   1HB   ALA  64          1HB       ALA  64   7.515  -1.896  -3.542
  464   2HB   ALA  64          2HB       ALA  64   6.392  -1.817  -2.181
  465   3HB   ALA  64          3HB       ALA  64   6.492  -3.279  -3.161
  466    H    LEU  65           H        LEU  65   7.623  -1.767   0.199
  467    HA   LEU  65           HA       LEU  65   9.184   0.512  -0.074
  468   1HB   LEU  65          2HB       LEU  65   7.921  -0.881   2.203
  469   2HB   LEU  65          1HB       LEU  65   8.753   0.644   2.391
  470    HG   LEU  65           HG       LEU  65   6.328   0.139   0.665
  471   1HD1  LEU  65          1HD1      LEU  65   5.218   1.583   2.266
  472   2HD1  LEU  65          2HD1      LEU  65   6.667   1.619   3.273
  473   3HD1  LEU  65          3HD1      LEU  65   5.794   0.109   3.014
  474   1HD2  LEU  65          1HD2      LEU  65   7.737   1.854  -0.280
  475   2HD2  LEU  65          2HD2      LEU  65   7.845   2.588   1.326
  476   3HD2  LEU  65          3HD2      LEU  65   6.287   2.562   0.483
  477    H    GLY  66           H        GLY  66  10.024  -2.623   1.271
  478   1HA   GLY  66          2HA       GLY  66  12.532  -1.444   2.189
  479   2HA   GLY  66          1HA       GLY  66  12.000  -3.070   2.568
  480    H    LYS  67           H        LYS  67  11.389  -2.594  -0.569
  481    HA   LYS  67           HA       LYS  67  13.914  -3.869  -1.421
  482   1HB   LYS  67          2HB       LYS  67  11.202  -3.855  -2.771
  483   2HB   LYS  67          1HB       LYS  67  12.608  -4.724  -3.342
  484   1HG   LYS  67          2HG       LYS  67  11.394  -5.298  -0.654
  485   2HG   LYS  67          1HG       LYS  67  10.736  -6.007  -2.111
  486   1HD   LYS  67          2HD       LYS  67  12.229  -7.564  -0.967
  487   2HD   LYS  67          1HD       LYS  67  12.873  -7.123  -2.535
  488   1HE   LYS  67          2HE       LYS  67  14.483  -5.682  -1.504
  489   2HE   LYS  67          1HE       LYS  67  13.777  -5.936   0.100
  490   1HZ   LYS  67          1HZ       LYS  67  15.134  -7.976  -1.605
  491   2HZ   LYS  67          2HZ       LYS  67  14.367  -8.282  -0.129
  492   3HZ   LYS  67          3HZ       LYS  67  15.706  -7.271  -0.162
  493    H    MET  68           H        MET  68  11.446  -1.572  -2.380
  494    HA   MET  68           HA       MET  68  11.423   0.396  -3.348
  495   1HB   MET  68          2HB       MET  68  14.454   0.227  -3.494
  496   2HB   MET  68          1HB       MET  68  13.498   1.675  -3.825
  497   1HG   MET  68          2HG       MET  68  12.672   1.553  -1.464
  498   2HG   MET  68          1HG       MET  68  13.750   0.205  -1.223
  499   1HE   MET  68          1HE       MET  68  14.539   3.446  -3.369
  500   2HE   MET  68          2HE       MET  68  15.261   4.473  -2.129
  501   3HE   MET  68          3HE       MET  68  13.556   4.035  -2.029
  502    H    SER  69           H        SER  69  11.679  -2.252  -4.452
  503    HA   SER  69           HA       SER  69  12.226  -1.903  -7.326
  504   1HB   SER  69          2HB       SER  69  11.437  -4.239  -5.611
  505   2HB   SER  69          1HB       SER  69  11.967  -4.297  -7.286
  506    HG   SER  69           HG       SER  69  13.833  -3.009  -6.026
  507    H    LYS  70           H        LYS  70  10.857  -2.027  -8.782
  508    HA   LYS  70           HA       LYS  70   8.081  -1.444  -8.037
  509   1HB   LYS  70          2HB       LYS  70   9.698  -0.945 -10.503
  510   2HB   LYS  70          1HB       LYS  70   8.032  -0.439 -10.245
  511   1HG   LYS  70          2HG       LYS  70   8.617   1.123  -8.647
  512   2HG   LYS  70          1HG       LYS  70  10.192   0.376  -8.357
  513   1HD   LYS  70          2HD       LYS  70  10.993   1.017 -10.399
  514   2HD   LYS  70          1HD       LYS  70   9.402   1.453 -10.980
  515   1HE   LYS  70          2HE       LYS  70  10.720   3.488 -10.474
  516   2HE   LYS  70          1HE       LYS  70   9.416   3.345  -9.298
  517   1HZ   LYS  70          1HZ       LYS  70  12.250   2.570  -8.892
  518   2HZ   LYS  70          2HZ       LYS  70  11.054   2.393  -7.728
  519   3HZ   LYS  70          3HZ       LYS  70  11.507   3.928  -8.267
  520    H    ASN  71           H        ASN  71  10.023  -3.822  -9.281
  521    HA   ASN  71           HA       ASN  71   8.183  -5.059 -11.051
  522   1HB   ASN  71          2HB       ASN  71   9.619  -7.096 -10.733
  523   2HB   ASN  71          1HB       ASN  71  10.532  -5.666 -11.217
  524   1HD2  ASN  71          1HD2      ASN  71  10.000  -8.017  -8.789
  525   2HD2  ASN  71          2HD2      ASN  71  11.238  -7.431  -7.713
  526    H    GLU  72           H        GLU  72   6.620  -6.517 -10.670
  527    HA   GLU  72           HA       GLU  72   5.141  -6.037  -8.372
  528   1HB   GLU  72          2HB       GLU  72   4.799  -8.196 -10.417
  529   2HB   GLU  72          1HB       GLU  72   3.600  -7.768  -9.209
  530   1HG   GLU  72          2HG       GLU  72   3.459  -5.519 -10.160
  531   2HG   GLU  72          1HG       GLU  72   4.655  -5.967 -11.375
  532    H    GLU  73           H        GLU  73   7.365  -8.659  -8.968
  533    HA   GLU  73           HA       GLU  73   6.235 -10.298  -6.942
  534   1HB   GLU  73          2HB       GLU  73   8.921 -10.503  -8.281
  535   2HB   GLU  73          1HB       GLU  73   8.258 -11.698  -7.179
  536   1HG   GLU  73          2HG       GLU  73   6.942 -10.821  -9.716
  537   2HG   GLU  73          1HG       GLU  73   7.921 -12.275  -9.570
  538    H    ASP  74           H        ASP  74   8.350  -7.627  -6.773
  539    HA   ASP  74           HA       ASP  74   9.102  -8.398  -4.074
  540   1HB   ASP  74          2HB       ASP  74  10.138  -6.221  -5.878
  541   2HB   ASP  74          1HB       ASP  74  10.418  -6.140  -4.148
  542    H    VAL  75           H        VAL  75   6.531  -7.048  -5.458
  543    HA   VAL  75           HA       VAL  75   6.061  -5.164  -3.264
  544    HB   VAL  75           HB       VAL  75   4.279  -5.623  -5.681
  545   1HG1  VAL  75          1HG1      VAL  75   4.581  -3.257  -3.858
  546   2HG1  VAL  75          2HG1      VAL  75   3.245  -4.405  -3.864
  547   3HG1  VAL  75          3HG1      VAL  75   3.538  -3.349  -5.262
  548   1HG2  VAL  75          1HG2      VAL  75   6.515  -3.623  -5.476
  549   2HG2  VAL  75          2HG2      VAL  75   5.292  -3.691  -6.754
  550   3HG2  VAL  75          3HG2      VAL  75   6.442  -5.029  -6.554
  551    H    SER  76           H        SER  76   4.883  -5.951  -1.560
  552    HA   SER  76           HA       SER  76   2.864  -7.967  -1.863
  553   1HB   SER  76          2HB       SER  76   4.987  -9.241  -2.098
  554   2HB   SER  76          1HB       SER  76   5.519  -8.634  -0.546
  555    HG   SER  76           HG       SER  76   3.481 -10.505  -1.114
  556    HA   PRO  77           HA       PRO  77   1.936  -6.024   2.115
  557   1HB   PRO  77          2HB       PRO  77   0.013  -7.613   3.075
  558   2HB   PRO  77          1HB       PRO  77  -0.259  -6.649   1.622
  559   1HG   PRO  77          2HG       PRO  77   0.308  -9.564   1.888
  560   2HG   PRO  77          1HG       PRO  77  -0.736  -8.726   0.729
  561   1HD   PRO  77          2HD       PRO  77   1.872  -9.631   0.235
  562   2HD   PRO  77          1HD       PRO  77   0.975  -8.455  -0.747
  563    H    SER  78           H        SER  78   3.363  -9.013   1.859
  564    HA   SER  78           HA       SER  78   3.603  -9.531   4.758
  565   1HB   SER  78          2HB       SER  78   3.081 -11.375   2.988
  566   2HB   SER  78          1HB       SER  78   4.748 -11.014   2.478
  567    HG   SER  78           HG       SER  78   4.620 -12.774   3.934
  568    H    LEU  79           H        LEU  79   5.578  -9.868   5.671
  569    HA   LEU  79           HA       LEU  79   7.524  -8.153   4.410
  570   1HB   LEU  79          2HB       LEU  79   7.089  -8.506   7.366
  571   2HB   LEU  79          1HB       LEU  79   8.301  -7.525   6.562
  572    HG   LEU  79           HG       LEU  79   5.349  -7.059   6.657
  573   1HD1  LEU  79          1HD1      LEU  79   7.680  -5.403   7.582
  574   2HD1  LEU  79          2HD1      LEU  79   6.559  -6.306   8.605
  575   3HD1  LEU  79          3HD1      LEU  79   5.983  -4.942   7.648
  576   1HD2  LEU  79          1HD2      LEU  79   7.412  -5.634   4.976
  577   2HD2  LEU  79          2HD2      LEU  79   5.752  -5.093   5.237
  578   3HD2  LEU  79          3HD2      LEU  79   6.062  -6.628   4.408
  579    H    GLU  80           H        GLU  80   8.228  -9.818   3.359
  580    HA   GLU  80           HA       GLU  80  10.145 -11.355   4.768
  581   1HB   GLU  80          2HB       GLU  80   9.384 -13.435   3.636
  582   2HB   GLU  80          1HB       GLU  80   8.209 -12.827   4.769
  583   1HG   GLU  80          2HG       GLU  80   6.798 -13.359   2.961
  584   2HG   GLU  80          1HG       GLU  80   7.276 -11.664   2.754
  585    H    GLY  81           H        GLY  81  11.703 -12.066   3.250
  586   1HA   GLY  81          2HA       GLY  81  12.759 -11.929   1.253
  587   2HA   GLY  81          1HA       GLY  81  11.516 -10.854   0.635
  588    H    LEU  82           H        LEU  82  12.554 -10.306   3.765
  589    HA   LEU  82           HA       LEU  82  14.157  -7.958   3.135
  590   1HB   LEU  82          2HB       LEU  82  11.763  -8.161   4.930
  591   2HB   LEU  82          1HB       LEU  82  12.845  -6.805   4.855
  592    HG   LEU  82           HG       LEU  82  10.995  -7.715   2.637
  593   1HD1  LEU  82          1HD1      LEU  82   9.767  -5.659   3.197
  594   2HD1  LEU  82          2HD1      LEU  82  10.902  -5.374   4.520
  595   3HD1  LEU  82          3HD1      LEU  82   9.826  -6.771   4.573
  596   1HD2  LEU  82          1HD2      LEU  82  11.610  -5.645   1.551
  597   2HD2  LEU  82          2HD2      LEU  82  13.068  -6.609   1.861
  598   3HD2  LEU  82          3HD2      LEU  82  12.655  -5.240   2.905
  599    H    THR  83           H        THR  83  15.867  -8.044   4.480
  600    HA   THR  83           HA       THR  83  15.655  -9.586   6.925
  601    HB   THR  83           HB       THR  83  17.782  -9.756   5.627
  602    HG1  THR  83           1HG      THR  83  17.854 -10.003   7.893
  603   1HG2  THR  83          1HG2      THR  83  17.856  -7.508   4.686
  604   2HG2  THR  83          2HG2      THR  83  19.352  -7.838   5.560
  605   3HG2  THR  83          3HG2      THR  83  18.105  -6.820   6.288
  606    H    GLU  84           H        GLU  84  16.779  -8.193   8.929
  607    HA   GLU  84           HA       GLU  84  14.817  -6.378   9.705
  608   1HB   GLU  84          2HB       GLU  84  16.301  -7.460  11.322
  609   2HB   GLU  84          1HB       GLU  84  17.659  -6.519  10.729
  610   1HG   GLU  84          2HG       GLU  84  16.605  -4.486  11.516
  611   2HG   GLU  84          1HG       GLU  84  15.195  -5.403  12.043
  612    H    LYS  85           H        LYS  85  17.987  -5.680   8.364
  613    HA   LYS  85           HA       LYS  85  17.823  -2.898   8.472
  614   1HB   LYS  85          2HB       LYS  85  19.936  -4.047   8.125
  615   2HB   LYS  85          1HB       LYS  85  19.384  -4.682   6.593
  616   1HG   LYS  85          2HG       LYS  85  19.391  -1.810   7.014
  617   2HG   LYS  85          1HG       LYS  85  21.002  -2.535   6.724
  618   1HD   LYS  85          2HD       LYS  85  18.523  -2.452   4.957
  619   2HD   LYS  85          1HD       LYS  85  20.043  -1.612   4.656
  620   1HE   LYS  85          2HE       LYS  85  21.164  -3.807   4.404
  621   2HE   LYS  85          1HE       LYS  85  19.617  -4.610   4.645
  622   1HZ   LYS  85          1HZ       LYS  85  18.803  -3.439   2.632
  623   2HZ   LYS  85          2HZ       LYS  85  20.098  -4.459   2.323
  624   3HZ   LYS  85          3HZ       LYS  85  20.348  -2.817   2.402
  625    H    GLU  86           H        GLU  86  16.697  -5.146   6.042
  626    HA   GLU  86           HA       GLU  86  15.988  -3.177   4.132
  627   1HB   GLU  86          2HB       GLU  86  15.295  -5.997   4.592
  628   2HB   GLU  86          1HB       GLU  86  14.568  -5.143   3.257
  629   1HG   GLU  86          2HG       GLU  86  16.920  -4.655   2.460
  630   2HG   GLU  86          1HG       GLU  86  17.518  -5.628   3.796
  631    H    ILE  87           H        ILE  87  14.504  -4.636   6.804
  632    HA   ILE  87           HA       ILE  87  11.872  -3.724   6.144
  633    HB   ILE  87           HB       ILE  87  12.969  -4.538   8.829
  634   1HG1  ILE  87          2HG1      ILE  87  11.281  -6.067   6.845
  635   2HG1  ILE  87          1HG1      ILE  87  12.954  -6.385   7.257
  636   1HG2  ILE  87          1HG2      ILE  87  11.079  -3.065   9.019
  637   2HG2  ILE  87          2HG2      ILE  87  10.569  -4.726   9.462
  638   3HG2  ILE  87          3HG2      ILE  87  10.206  -4.054   7.848
  639   1HD1  ILE  87          1HD1      ILE  87  10.636  -6.555   9.153
  640   2HD1  ILE  87          2HD1      ILE  87  12.307  -6.903   9.548
  641   3HD1  ILE  87          3HD1      ILE  87  11.435  -7.944   8.402
  642    H    ASN  88           H        ASN  88  14.565  -2.556   8.005
  643    HA   ASN  88           HA       ASN  88  13.483  -0.338   9.271
  644   1HB   ASN  88          2HB       ASN  88  16.174  -0.734   8.039
  645   2HB   ASN  88          1HB       ASN  88  15.723   0.712   8.932
  646   1HD2  ASN  88          1HD2      ASN  88  17.788  -1.314   9.509
  647   2HD2  ASN  88          2HD2      ASN  88  17.424  -2.014  11.035
  648    H    THR  89           H        THR  89  14.507  -0.729   5.963
  649    HA   THR  89           HA       THR  89  14.353   1.920   5.140
  650    HB   THR  89           HB       THR  89  13.826  -0.631   3.624
  651    HG1  THR  89           1HG      THR  89  16.143   0.732   4.454
  652   1HG2  THR  89          1HG2      THR  89  13.118   1.328   2.476
  653   2HG2  THR  89          2HG2      THR  89  14.583   0.664   1.707
  654   3HG2  THR  89          3HG2      THR  89  14.681   2.100   2.785
  655    H    LEU  90           H        LEU  90  11.953  -0.673   5.077
  656    HA   LEU  90           HA       LEU  90   9.797   0.872   4.035
  657   1HB   LEU  90          2HB       LEU  90   9.279  -1.206   3.647
  658   2HB   LEU  90          1HB       LEU  90  10.336  -1.844   4.852
  659    HG   LEU  90           HG       LEU  90   8.404  -1.039   6.461
  660   1HD1  LEU  90          1HD1      LEU  90   6.862  -1.407   3.967
  661   2HD1  LEU  90          2HD1      LEU  90   7.059   0.074   4.909
  662   3HD1  LEU  90          3HD1      LEU  90   6.202  -1.305   5.599
  663   1HD2  LEU  90          1HD2      LEU  90   7.401  -3.221   6.329
  664   2HD2  LEU  90          2HD2      LEU  90   9.189  -3.286   6.233
  665   3HD2  LEU  90          3HD2      LEU  90   8.200  -3.464   4.772
  666    H    ASN  91           H        ASN  91  10.816  -0.123   7.197
  667    HA   ASN  91           HA       ASN  91   8.724   0.660   8.835
  668   1HB   ASN  91          2HB       ASN  91  11.096  -0.485   9.206
  669   2HB   ASN  91          1HB       ASN  91  11.567   1.145   9.635
  670   1HD2  ASN  91          1HD2      ASN  91   9.834  -1.662  10.492
  671   2HD2  ASN  91          2HD2      ASN  91   9.419  -1.242  12.087
  672    H    ASP  92           H        ASP  92  11.453   2.456   7.552
  673    HA   ASP  92           HA       ASP  92  10.883   5.011   8.621
  674   1HB   ASP  92          2HB       ASP  92  13.080   4.471   7.738
  675   2HB   ASP  92          1HB       ASP  92  12.406   4.153   6.149
  676    H    TRP  93           H        TRP  93  10.057   3.423   5.526
  677    HA   TRP  93           HA       TRP  93   8.755   5.533   4.269
  678   1HB   TRP  93          2HB       TRP  93   8.756   2.624   4.051
  679   2HB   TRP  93          1HB       TRP  93   7.555   3.444   3.119
  680    HD1  TRP  93           HD       TRP  93  10.697   1.913   2.577
  681    HE1  TRP  93           1HE      TRP  93  12.084   2.947   0.709
  682    HE3  TRP  93           3HE      TRP  93   8.287   6.408   2.199
  683    HZ2  TRP  93           2HZ      TRP  93  12.173   5.379  -0.751
  684    HZ3  TRP  93           3HZ      TRP  93   9.094   8.034   0.542
  685    HH2  TRP  93           HH       TRP  93  10.999   7.528  -0.903
  686    H    GLU  94           H        GLU  94   7.441   3.081   6.401
  687    HA   GLU  94           HA       GLU  94   4.720   3.554   6.242
  688   1HB   GLU  94          2HB       GLU  94   6.320   3.241   8.781
  689   2HB   GLU  94          1HB       GLU  94   4.597   2.991   8.616
  690   1HG   GLU  94          2HG       GLU  94   4.985   1.122   7.188
  691   2HG   GLU  94          1HG       GLU  94   6.731   1.352   7.270
  692    H    THR  95           H        THR  95   6.933   4.975   8.401
  693    HA   THR  95           HA       THR  95   5.506   6.799   9.813
  694    HB   THR  95           HB       THR  95   8.391   6.956   8.950
  695    HG1  THR  95           1HG      THR  95   8.374   5.005   9.910
  696   1HG2  THR  95          1HG2      THR  95   6.991   7.925  11.455
  697   2HG2  THR  95          2HG2      THR  95   7.606   8.953  10.158
  698   3HG2  THR  95          3HG2      THR  95   8.725   8.018  11.148
  699    H    LYS  96           H        LYS  96   6.969   7.118   6.600
  700    HA   LYS  96           HA       LYS  96   6.912  10.000   6.595
  701   1HB   LYS  96          2HB       LYS  96   7.401   8.018   4.383
  702   2HB   LYS  96          1HB       LYS  96   7.751   9.742   4.333
  703   1HG   LYS  96          2HG       LYS  96   8.923   7.845   6.289
  704   2HG   LYS  96          1HG       LYS  96   9.748   8.226   4.809
  705   1HD   LYS  96          2HD       LYS  96   9.730  10.641   5.542
  706   2HD   LYS  96          1HD       LYS  96   8.962  10.114   7.042
  707   1HE   LYS  96          2HE       LYS  96  10.879   8.684   7.515
  708   2HE   LYS  96          1HE       LYS  96  11.649   9.235   6.030
  709   1HZ   LYS  96          1HZ       LYS  96  10.904  10.984   8.306
  710   2HZ   LYS  96          2HZ       LYS  96  11.786  11.442   6.915
  711   3HZ   LYS  96          3HZ       LYS  96  12.434  10.345   8.017
  712    H    PHE  97           H        PHE  97   5.293   7.307   5.117
  713    HA   PHE  97           HA       PHE  97   3.505   8.931   3.653
  714   1HB   PHE  97          2HB       PHE  97   3.635   6.004   4.226
  715   2HB   PHE  97          1HB       PHE  97   2.375   6.710   3.248
  716    HD1  PHE  97           1HD      PHE  97   3.841   8.664   1.626
  717    HD2  PHE  97           2HD      PHE  97   4.983   4.748   2.821
  718    HE1  PHE  97           1HE      PHE  97   5.290   8.491  -0.343
  719    HE2  PHE  97           2HE      PHE  97   6.440   4.576   0.857
  720    HZ   PHE  97           HZ       PHE  97   6.597   6.444  -0.731
  721    H    GLU  98           H        GLU  98   3.396   7.210   6.660
  722    HA   GLU  98           HA       GLU  98   0.703   7.501   7.250
  723   1HB   GLU  98          2HB       GLU  98   3.163   7.021   8.736
  724   2HB   GLU  98          1HB       GLU  98   1.853   7.275   9.788
  725   1HG   GLU  98          2HG       GLU  98   0.734   5.404   8.295
  726   2HG   GLU  98          1HG       GLU  98   2.401   5.094   7.825
  727    H    ALA  99           H        ALA  99   3.140   9.882   7.210
  728    HA   ALA  99           HA       ALA  99   1.596  11.618   8.958
  729   1HB   ALA  99          1HB       ALA  99   3.484  13.149   8.791
  730   2HB   ALA  99          2HB       ALA  99   4.247  12.096   7.601
  731   3HB   ALA  99          3HB       ALA  99   4.028  11.538   9.259
  732    H    LYS 100           H        LYS 100   1.780  10.847   5.592
  733    HA   LYS 100           HA       LYS 100   1.189  13.545   4.740
  734   1HB   LYS 100          2HB       LYS 100   1.857  10.998   3.354
  735   2HB   LYS 100          1HB       LYS 100   1.623  12.568   2.602
  736   1HG   LYS 100          2HG       LYS 100   3.533  13.454   3.687
  737   2HG   LYS 100          1HG       LYS 100   3.696  12.010   4.684
  738   1HD   LYS 100          2HD       LYS 100   5.273  11.947   2.892
  739   2HD   LYS 100          1HD       LYS 100   4.079  10.681   2.702
  740   1HE   LYS 100          2HE       LYS 100   4.445  11.615   0.639
  741   2HE   LYS 100          1HE       LYS 100   2.849  12.083   1.122
  742   1HZ   LYS 100          1HZ       LYS 100   3.691  14.278   1.792
  743   2HZ   LYS 100          2HZ       LYS 100   3.982  13.986   0.164
  744   3HZ   LYS 100          3HZ       LYS 100   5.242  13.852   1.277
  745    H    TYR 101           H        TYR 101   0.234  10.176   4.453
  746    HA   TYR 101           HA       TYR 101  -2.349  10.987   3.344
  747   1HB   TYR 101          2HB       TYR 101  -1.064   8.271   3.291
  748   2HB   TYR 101          1HB       TYR 101  -2.416   8.864   2.340
  749    HD1  TYR 101           1HD      TYR 101  -1.593  11.270   1.099
  750    HD2  TYR 101           2HD      TYR 101   0.792   7.858   1.998
  751    HE1  TYR 101           1HE      TYR 101   0.015  11.922  -0.654
  752    HE2  TYR 101           2HE      TYR 101   2.374   8.498   0.270
  753    HH   TYR 101           HH       TYR 101   2.508   9.810  -1.679
  754    HA   PRO 102           HA       PRO 102  -4.086   9.357   7.148
  755   1HB   PRO 102          2HB       PRO 102  -6.685   9.399   6.366
  756   2HB   PRO 102          1HB       PRO 102  -5.823  10.876   6.819
  757   1HG   PRO 102          2HG       PRO 102  -6.424   9.777   4.109
  758   2HG   PRO 102          1HG       PRO 102  -6.526  11.447   4.701
  759   1HD   PRO 102          2HD       PRO 102  -4.422  10.538   3.229
  760   2HD   PRO 102          1HD       PRO 102  -4.277  11.802   4.474
  761    H    VAL 103           H        VAL 103  -4.455   7.302   7.728
  762    HA   VAL 103           HA       VAL 103  -4.658   5.477   5.517
  763    HB   VAL 103           HB       VAL 103  -4.058   3.586   6.887
  764   1HG1  VAL 103          1HG1      VAL 103  -2.304   5.925   7.454
  765   2HG1  VAL 103          2HG1      VAL 103  -2.267   4.862   6.048
  766   3HG1  VAL 103          3HG1      VAL 103  -1.844   4.235   7.641
  767   1HG2  VAL 103          1HG2      VAL 103  -4.030   5.402   9.301
  768   2HG2  VAL 103          2HG2      VAL 103  -3.439   3.731   9.180
  769   3HG2  VAL 103          3HG2      VAL 103  -5.163   4.056   8.991
  770    H    VAL 104           H        VAL 104  -6.327   4.869   4.729
  771    HA   VAL 104           HA       VAL 104  -8.659   4.596   6.404
  772    HB   VAL 104           HB       VAL 104 -10.083   5.242   4.421
  773   1HG1  VAL 104          1HG1      VAL 104  -8.116   7.313   5.398
  774   2HG1  VAL 104          2HG1      VAL 104  -9.608   6.834   6.207
  775   3HG1  VAL 104          3HG1      VAL 104  -9.675   7.657   4.649
  776   1HG2  VAL 104          1HG2      VAL 104  -8.444   4.802   2.663
  777   2HG2  VAL 104          2HG2      VAL 104  -7.420   6.106   3.261
  778   3HG2  VAL 104          3HG2      VAL 104  -9.009   6.471   2.574
  779    H    GLY 105           H        GLY 105  -7.647   2.342   6.496
  780   1HA   GLY 105          2HA       GLY 105  -9.458   0.628   5.745
  781   2HA   GLY 105          1HA       GLY 105  -8.592   0.776   4.241
  782    H    ARG 106           H        ARG 106  -8.669  -1.497   4.851
  783    HA   ARG 106           HA       ARG 106  -6.164  -2.375   6.097
  784   1HB   ARG 106          2HB       ARG 106  -7.809  -2.761   7.802
  785   2HB   ARG 106          1HB       ARG 106  -8.940  -3.257   6.544
  786   1HG   ARG 106          2HG       ARG 106  -8.182  -5.174   7.919
  787   2HG   ARG 106          1HG       ARG 106  -7.796  -5.331   6.214
  788   1HD   ARG 106          2HD       ARG 106  -5.952  -6.046   7.647
  789   2HD   ARG 106          1HD       ARG 106  -5.509  -4.667   6.638
  790    HE   ARG 106           HE       ARG 106  -6.546  -3.772   8.998
  791   1HH1  ARG 106          1HH1      ARG 106  -3.650  -5.536   7.845
  792   2HH1  ARG 106          2HH1      ARG 106  -2.612  -4.930   9.041
  793   1HH2  ARG 106          1HH2      ARG 106  -5.011  -2.943  10.697
  794   2HH2  ARG 106          2HH2      ARG 106  -3.393  -3.451  10.687
  795    H    VAL 107           H        VAL 107  -5.199  -3.636   4.632
  796    HA   VAL 107           HA       VAL 107  -6.878  -4.885   2.590
  797    HB   VAL 107           HB       VAL 107  -4.837  -3.586   1.854
  798   1HG1  VAL 107          1HG1      VAL 107  -3.490  -4.094   3.672
  799   2HG1  VAL 107          2HG1      VAL 107  -2.652  -4.601   2.163
  800   3HG1  VAL 107          3HG1      VAL 107  -3.445  -5.798   3.228
  801   1HG2  VAL 107          1HG2      VAL 107  -4.019  -5.251   0.264
  802   2HG2  VAL 107          2HG2      VAL 107  -5.782  -5.310   0.404
  803   3HG2  VAL 107          3HG2      VAL 107  -4.784  -6.521   1.215
  804    H    VAL 108           H        VAL 108  -7.061  -7.053   2.492
  805    HA   VAL 108           HA       VAL 108  -5.664  -8.607   4.534
  806    HB   VAL 108           HB       VAL 108  -7.679  -9.898   4.927
  807   1HG1  VAL 108          1HG1      VAL 108  -8.193  -6.995   4.886
  808   2HG1  VAL 108          2HG1      VAL 108  -7.345  -7.852   6.186
  809   3HG1  VAL 108          3HG1      VAL 108  -9.099  -8.117   5.902
  810   1HG2  VAL 108          1HG2      VAL 108  -8.698  -9.784   2.684
  811   2HG2  VAL 108          2HG2      VAL 108  -9.046  -8.066   2.963
  812   3HG2  VAL 108          3HG2      VAL 108  -9.837  -9.287   3.946
  813    H    SER 109           H        SER 109  -5.061 -10.702   3.885
  814    HA   SER 109           HA       SER 109  -5.857 -11.417   1.205
  815   1HB   SER 109          2HB       SER 109  -3.514 -11.677   0.468
  816   2HB   SER 109          1HB       SER 109  -3.918 -10.028   1.011
  817    HG   SER 109           HG       SER 109  -2.854 -11.872   2.786
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1 -16.448  -9.531   4.079
    2   2H    MET   1          2HT       MET   1 -15.390 -10.088   5.265
    3   3H    MET   1          3HT       MET   1 -15.207  -8.517   4.652
    4    HA   MET   1           HA       MET   1 -17.457  -9.516   6.287
    5   1HB   MET   1          2HB       MET   1 -15.415  -9.161   7.578
    6   2HB   MET   1          1HB       MET   1 -15.215  -7.566   6.869
    7   1HG   MET   1          2HG       MET   1 -17.340  -6.879   7.963
    8   2HG   MET   1          1HG       MET   1 -17.400  -8.453   8.750
    9   1HE   MET   1          1HE       MET   1 -16.414  -6.068  11.709
   10   2HE   MET   1          2HE       MET   1 -17.537  -7.306  11.156
   11   3HE   MET   1          3HE       MET   1 -17.521  -5.718  10.381
   12    H    GLY   2           H        GLY   2 -19.304  -8.552   5.674
   13   1HA   GLY   2          2HA       GLY   2 -19.232  -6.002   4.298
   14   2HA   GLY   2          1HA       GLY   2 -20.640  -7.023   4.577
   15    H    HIS   3           H        HIS   3 -19.543  -4.126   5.313
   16    HA   HIS   3           HA       HIS   3 -21.087  -4.026   7.727
   17   1HB   HIS   3          2HB       HIS   3 -19.328  -3.004   9.156
   18   2HB   HIS   3          1HB       HIS   3 -18.984  -4.671   8.734
   19    HD1  HIS   3           1HD      HIS   3 -17.595  -1.291   8.664
   20    HD2  HIS   3           2HD      HIS   3 -16.847  -4.926   6.813
   21    HE1  HIS   3           1HE      HIS   3 -15.284  -1.102   7.732
   22    HE2  HIS   3           2HE      HIS   3 -14.779  -3.501   7.199
   23    H    HIS   4           H        HIS   4 -20.995  -2.882   5.028
   24    HA   HIS   4           HA       HIS   4 -21.760  -1.081   4.004
   25   1HB   HIS   4          2HB       HIS   4 -22.166   0.103   6.755
   26   2HB   HIS   4          1HB       HIS   4 -22.802   0.767   5.257
   27    HD1  HIS   4           1HD      HIS   4 -24.946  -0.216   4.393
   28    HD2  HIS   4           2HD      HIS   4 -23.384  -2.352   7.574
   29    HE1  HIS   4           1HE      HIS   4 -26.747  -1.835   5.065
   30    HE2  HIS   4           2HE      HIS   4 -25.874  -2.778   7.235
   31    H    HIS   5           H        HIS   5 -20.534   0.144   2.789
   32    HA   HIS   5           HA       HIS   5 -18.323   1.549   4.069
   33   1HB   HIS   5          2HB       HIS   5 -18.746   0.952   1.137
   34   2HB   HIS   5          1HB       HIS   5 -17.416   1.895   1.780
   35    HD1  HIS   5           1HD      HIS   5 -15.453   0.662   2.658
   36    HD2  HIS   5           2HD      HIS   5 -18.612  -1.832   1.713
   37    HE1  HIS   5           1HE      HIS   5 -14.507  -1.694   2.717
   38    HE2  HIS   5           2HE      HIS   5 -16.415  -3.160   1.988
   39    H    HIS   6           H        HIS   6 -19.734   3.095   4.911
   40    HA   HIS   6           HA       HIS   6 -19.907   5.395   3.113
   41   1HB   HIS   6          2HB       HIS   6 -22.215   4.609   4.937
   42   2HB   HIS   6          1HB       HIS   6 -22.093   6.132   4.093
   43    HD1  HIS   6           1HD      HIS   6 -23.646   2.914   3.811
   44    HD2  HIS   6           2HD      HIS   6 -22.074   5.665   1.116
   45    HE1  HIS   6           1HE      HIS   6 -24.635   2.338   1.616
   46    HE2  HIS   6           2HE      HIS   6 -23.442   3.794  -0.024
   47    H    HIS   7           H        HIS   7 -18.158   6.246   4.128
   48    HA   HIS   7           HA       HIS   7 -16.916   7.299   5.621
   49   1HB   HIS   7          2HB       HIS   7 -19.561   7.862   6.946
   50   2HB   HIS   7          1HB       HIS   7 -18.047   8.442   7.633
   51    HD1  HIS   7           1HD      HIS   7 -20.559   9.248   5.061
   52    HD2  HIS   7           2HD      HIS   7 -16.616  10.254   5.901
   53    HE1  HIS   7           1HE      HIS   7 -20.076  11.271   3.684
   54    HE2  HIS   7           2HE      HIS   7 -17.583  11.594   3.963
   55    H    HIS   8           H        HIS   8 -18.134   4.479   6.259
   56    HA   HIS   8           HA       HIS   8 -16.744   4.080   8.796
   57   1HB   HIS   8          2HB       HIS   8 -18.187   2.144   6.945
   58   2HB   HIS   8          1HB       HIS   8 -17.309   1.631   8.374
   59    HD1  HIS   8           1HD      HIS   8 -18.706   1.410  10.410
   60    HD2  HIS   8           2HD      HIS   8 -20.412   3.997   7.649
   61    HE1  HIS   8           1HE      HIS   8 -20.922   2.052  11.374
   62    HE2  HIS   8           2HE      HIS   8 -22.049   3.229   9.482
   63    H    LEU   9           H        LEU   9 -14.858   2.603   8.832
   64    HA   LEU   9           HA       LEU   9 -13.297   3.310   6.638
   65   1HB   LEU   9          2HB       LEU   9 -11.424   2.052   7.637
   66   2HB   LEU   9          1HB       LEU   9 -12.111   3.313   8.617
   67    HG   LEU   9           HG       LEU   9 -13.190   1.609  10.043
   68   1HD1  LEU   9          1HD1      LEU   9 -11.673  -0.385   8.340
   69   2HD1  LEU   9          2HD1      LEU   9 -13.426  -0.195   8.358
   70   3HD1  LEU   9          3HD1      LEU   9 -12.584  -0.743   9.809
   71   1HD2  LEU   9          1HD2      LEU   9 -11.082   0.815  11.007
   72   2HD2  LEU   9          2HD2      LEU   9 -11.057   2.531  10.522
   73   3HD2  LEU   9          3HD2      LEU   9 -10.298   1.319   9.494
   74    H    GLU  10           H        GLU  10 -11.840   1.947   5.521
   75    HA   GLU  10           HA       GLU  10 -13.580   0.327   3.891
   76   1HB   GLU  10          2HB       GLU  10 -10.837   1.386   3.443
   77   2HB   GLU  10          1HB       GLU  10 -11.880   0.627   2.249
   78   1HG   GLU  10          2HG       GLU  10 -12.569   3.024   3.811
   79   2HG   GLU  10          1HG       GLU  10 -11.784   3.076   2.213
   80    H    GLU  11           H        GLU  11 -13.577  -1.774   4.378
   81    HA   GLU  11           HA       GLU  11 -11.093  -3.100   4.795
   82   1HB   GLU  11          2HB       GLU  11 -12.889  -4.096   5.990
   83   2HB   GLU  11          1HB       GLU  11 -13.909  -4.138   4.550
   84   1HG   GLU  11          2HG       GLU  11 -12.560  -5.678   3.496
   85   2HG   GLU  11          1HG       GLU  11 -11.286  -5.657   4.657
   86    H    PHE  12           H        PHE  12  -9.913  -3.340   3.152
   87    HA   PHE  12           HA       PHE  12 -11.141  -3.890   0.606
   88   1HB   PHE  12          2HB       PHE  12  -8.414  -3.083   1.450
   89   2HB   PHE  12          1HB       PHE  12  -8.861  -3.729  -0.131
   90    HD1  PHE  12           1HD      PHE  12 -10.406  -2.379  -1.576
   91    HD2  PHE  12           2HD      PHE  12  -8.871  -0.847   2.080
   92    HE1  PHE  12           1HE      PHE  12 -11.061  -0.114  -2.248
   93    HE2  PHE  12           2HE      PHE  12  -9.521   1.409   1.409
   94    HZ   PHE  12           HZ       PHE  12 -10.619   1.783  -0.750
   95    H    THR  13           H        THR  13 -10.508  -5.721  -0.463
   96    HA   THR  13           HA       THR  13  -8.937  -7.551   1.146
   97    HB   THR  13           HB       THR  13 -10.792  -8.405  -1.093
   98    HG1  THR  13           1HG      THR  13 -11.327  -7.437   1.438
   99   1HG2  THR  13          1HG2      THR  13  -9.776  -9.689   1.416
  100   2HG2  THR  13          2HG2      THR  13  -9.095  -9.948  -0.175
  101   3HG2  THR  13          3HG2      THR  13 -10.750 -10.516   0.185
  102    H    ALA  14           H        ALA  14  -7.402  -8.753  -0.070
  103    HA   ALA  14           HA       ALA  14  -5.798  -6.857  -1.405
  104   1HB   ALA  14          1HB       ALA  14  -4.049  -8.433  -1.540
  105   2HB   ALA  14          2HB       ALA  14  -5.169  -9.786  -1.274
  106   3HB   ALA  14          3HB       ALA  14  -4.882  -8.589   0.002
  107    H    GLU  15           H        GLU  15  -7.319  -9.681  -2.987
  108    HA   GLU  15           HA       GLU  15  -6.220  -9.038  -5.530
  109   1HB   GLU  15          2HB       GLU  15  -8.575 -10.752  -4.762
  110   2HB   GLU  15          1HB       GLU  15  -8.158 -10.435  -6.432
  111   1HG   GLU  15          2HG       GLU  15  -6.315 -11.672  -4.419
  112   2HG   GLU  15          1HG       GLU  15  -7.286 -12.569  -5.593
  113    H    GLN  16           H        GLN  16  -9.019  -8.032  -3.862
  114    HA   GLN  16           HA       GLN  16 -10.259  -6.764  -6.036
  115   1HB   GLN  16          2HB       GLN  16 -10.593  -6.637  -3.096
  116   2HB   GLN  16          1HB       GLN  16 -11.559  -5.628  -4.160
  117   1HG   GLN  16          2HG       GLN  16 -12.533  -7.490  -5.209
  118   2HG   GLN  16          1HG       GLN  16 -11.334  -8.582  -4.508
  119   1HE2  GLN  16          1HE2      GLN  16 -11.493  -9.191  -2.535
  120   2HE2  GLN  16          2HE2      GLN  16 -12.839  -8.985  -1.514
  121    H    LEU  17           H        LEU  17  -7.982  -5.805  -3.562
  122    HA   LEU  17           HA       LEU  17  -8.063  -3.010  -3.868
  123   1HB   LEU  17          2HB       LEU  17  -6.989  -4.179  -1.975
  124   2HB   LEU  17          1HB       LEU  17  -5.720  -4.717  -3.059
  125    HG   LEU  17           HG       LEU  17  -5.271  -2.267  -3.525
  126   1HD1  LEU  17          1HD1      LEU  17  -7.299  -1.326  -2.705
  127   2HD1  LEU  17          2HD1      LEU  17  -5.905  -0.707  -1.783
  128   3HD1  LEU  17          3HD1      LEU  17  -6.942  -1.964  -1.093
  129   1HD2  LEU  17          1HD2      LEU  17  -3.797  -3.593  -2.203
  130   2HD2  LEU  17          2HD2      LEU  17  -4.787  -3.293  -0.750
  131   3HD2  LEU  17          3HD2      LEU  17  -3.943  -1.951  -1.557
  132    H    SER  18           H        SER  18  -6.620  -5.522  -5.719
  133    HA   SER  18           HA       SER  18  -4.403  -4.263  -6.850
  134   1HB   SER  18          2HB       SER  18  -6.095  -6.472  -8.022
  135   2HB   SER  18          1HB       SER  18  -4.442  -6.073  -8.494
  136    HG   SER  18           HG       SER  18  -4.804  -6.517  -5.770
  137    H    GLN  19           H        GLN  19  -7.540  -3.426  -7.329
  138    HA   GLN  19           HA       GLN  19  -7.060  -2.497 -10.074
  139   1HB   GLN  19          2HB       GLN  19  -9.665  -3.104  -8.698
  140   2HB   GLN  19          1HB       GLN  19  -9.591  -2.173 -10.184
  141   1HG   GLN  19          2HG       GLN  19 -10.138  -4.416 -10.660
  142   2HG   GLN  19          1HG       GLN  19  -8.535  -4.098 -11.319
  143   1HE2  GLN  19          1HE2      GLN  19  -9.380  -4.876  -7.958
  144   2HE2  GLN  19          2HE2      GLN  19  -8.558  -6.392  -7.930
  145    H    TYR  20           H        TYR  20  -7.063  -1.448  -7.049
  146    HA   TYR  20           HA       TYR  20  -8.130   1.210  -7.567
  147   1HB   TYR  20          2HB       TYR  20  -7.088  -0.141  -5.090
  148   2HB   TYR  20          1HB       TYR  20  -7.488   1.572  -5.114
  149    HD1  TYR  20           1HD      TYR  20  -9.797   2.291  -5.347
  150    HD2  TYR  20           2HD      TYR  20  -8.842  -1.835  -5.196
  151    HE1  TYR  20           1HE      TYR  20 -12.156   1.782  -4.929
  152    HE2  TYR  20           2HE      TYR  20 -11.204  -2.374  -4.766
  153    HH   TYR  20           HH       TYR  20 -13.191  -1.290  -3.902
  154    H    ASN  21           H        ASN  21  -5.908   0.486  -9.078
  155    HA   ASN  21           HA       ASN  21  -3.681   1.992  -7.984
  156   1HB   ASN  21          2HB       ASN  21  -2.448   1.314 -10.040
  157   2HB   ASN  21          1HB       ASN  21  -3.044  -0.028  -9.089
  158   1HD2  ASN  21          1HD2      ASN  21  -2.907  -1.377 -10.836
  159   2HD2  ASN  21          2HD2      ASN  21  -4.038  -1.371 -12.125
  160    H    GLY  22           H        GLY  22  -6.380   2.625  -9.737
  161   1HA   GLY  22          2HA       GLY  22  -7.192   4.630 -10.508
  162   2HA   GLY  22          1HA       GLY  22  -5.666   5.365 -10.056
  163    H    THR  23           H        THR  23  -5.366   2.740 -12.297
  164    HA   THR  23           HA       THR  23  -4.699   4.724 -14.305
  165    HB   THR  23           HB       THR  23  -3.271   2.731 -13.908
  166    HG1  THR  23           1HG      THR  23  -2.759   2.512 -16.059
  167   1HG2  THR  23          1HG2      THR  23  -5.481   1.230 -15.321
  168   2HG2  THR  23          2HG2      THR  23  -4.966   1.002 -13.651
  169   3HG2  THR  23          3HG2      THR  23  -3.882   0.573 -14.973
  170    H    ASP  24           H        ASP  24  -7.308   2.799 -13.489
  171    HA   ASP  24           HA       ASP  24  -8.432   2.844 -16.143
  172   1HB   ASP  24          2HB       ASP  24  -8.550   0.705 -14.874
  173   2HB   ASP  24          1HB       ASP  24  -9.361   1.560 -13.612
  174    H    GLU  25           H        GLU  25  -9.425   4.946 -16.434
  175    HA   GLU  25           HA       GLU  25 -10.824   6.717 -16.166
  176   1HB   GLU  25          2HB       GLU  25 -12.294   4.855 -14.284
  177   2HB   GLU  25          1HB       GLU  25 -12.894   6.417 -14.799
  178   1HG   GLU  25          2HG       GLU  25 -12.947   5.596 -17.119
  179   2HG   GLU  25          1HG       GLU  25 -12.396   4.022 -16.538
  180    H    SER  26           H        SER  26  -8.648   6.048 -14.228
  181    HA   SER  26           HA       SER  26  -7.756   6.569 -12.280
  182   1HB   SER  26          2HB       SER  26  -7.765   8.784 -13.333
  183   2HB   SER  26          1HB       SER  26  -9.374   9.085 -12.675
  184    HG   SER  26           HG       SER  26  -6.970   8.638 -11.254
  185    H    LYS  27           H        LYS  27  -9.236   4.742 -11.617
  186    HA   LYS  27           HA       LYS  27 -11.401   5.331  -9.877
  187   1HB   LYS  27          2HB       LYS  27  -9.662   2.813  -9.895
  188   2HB   LYS  27          1HB       LYS  27 -11.223   2.959  -9.098
  189   1HG   LYS  27          2HG       LYS  27 -11.984   3.468 -11.686
  190   2HG   LYS  27          1HG       LYS  27 -10.504   2.637 -11.936
  191   1HD   LYS  27          2HD       LYS  27 -12.662   1.445 -10.232
  192   2HD   LYS  27          1HD       LYS  27 -12.535   1.192 -11.959
  193   1HE   LYS  27          2HE       LYS  27 -10.386   0.509  -9.956
  194   2HE   LYS  27          1HE       LYS  27 -11.554  -0.637 -10.601
  195   1HZ   LYS  27          1HZ       LYS  27 -10.665  -0.039 -12.856
  196   2HZ   LYS  27          2HZ       LYS  27  -9.647  -0.894 -11.866
  197   3HZ   LYS  27          3HZ       LYS  27  -9.366   0.735 -12.084
  198    HA   PRO  28           HA       PRO  28  -9.601   6.719  -6.044
  199   1HB   PRO  28          2HB       PRO  28 -10.670   4.157  -4.920
  200   2HB   PRO  28          1HB       PRO  28 -10.745   5.786  -4.228
  201   1HG   PRO  28          2HG       PRO  28 -12.859   4.775  -5.416
  202   2HG   PRO  28          1HG       PRO  28 -12.411   6.463  -5.710
  203   1HD   PRO  28          2HD       PRO  28 -12.132   4.097  -7.491
  204   2HD   PRO  28          1HD       PRO  28 -12.411   5.800  -7.915
  205    H    ILE  29           H        ILE  29  -7.629   6.498  -5.078
  206    HA   ILE  29           HA       ILE  29  -6.077   4.186  -6.014
  207    HB   ILE  29           HB       ILE  29  -5.022   6.919  -5.269
  208   1HG1  ILE  29          2HG1      ILE  29  -5.628   5.869  -8.042
  209   2HG1  ILE  29          1HG1      ILE  29  -6.642   7.033  -7.211
  210   1HG2  ILE  29          1HG2      ILE  29  -3.070   6.148  -6.555
  211   2HG2  ILE  29          2HG2      ILE  29  -3.916   4.654  -6.938
  212   3HG2  ILE  29          3HG2      ILE  29  -3.438   4.979  -5.277
  213   1HD1  ILE  29          1HD1      ILE  29  -5.174   7.983  -8.815
  214   2HD1  ILE  29          2HD1      ILE  29  -3.773   7.471  -7.830
  215   3HD1  ILE  29          3HD1      ILE  29  -4.941   8.627  -7.194
  216    H    TYR  30           H        TYR  30  -5.433   2.869  -4.449
  217    HA   TYR  30           HA       TYR  30  -4.902   3.954  -1.748
  218   1HB   TYR  30          2HB       TYR  30  -6.434   1.437  -2.356
  219   2HB   TYR  30          1HB       TYR  30  -5.964   2.023  -0.768
  220    HD1  TYR  30           1HD      TYR  30  -6.934   4.301  -0.031
  221    HD2  TYR  30           2HD      TYR  30  -8.459   2.034  -3.278
  222    HE1  TYR  30           1HE      TYR  30  -9.074   5.524   0.114
  223    HE2  TYR  30           2HE      TYR  30 -10.576   3.240  -3.134
  224    HH   TYR  30           HH       TYR  30 -10.920   6.054  -1.302
  225    H    VAL  31           H        VAL  31  -3.243   3.335  -0.783
  226    HA   VAL  31           HA       VAL  31  -1.730   1.074  -1.893
  227    HB   VAL  31           HB       VAL  31   0.275   2.076  -0.870
  228   1HG1  VAL  31          1HG1      VAL  31  -0.122   2.605  -3.192
  229   2HG1  VAL  31          2HG1      VAL  31   0.648   3.945  -2.380
  230   3HG1  VAL  31          3HG1      VAL  31  -1.096   4.006  -2.732
  231   1HG2  VAL  31          1HG2      VAL  31  -0.744   3.276   0.928
  232   2HG2  VAL  31          2HG2      VAL  31  -1.510   4.388  -0.214
  233   3HG2  VAL  31          3HG2      VAL  31   0.251   4.381  -0.028
  234    H    ALA  32           H        ALA  32  -0.622  -0.195  -0.196
  235    HA   ALA  32           HA       ALA  32  -1.775   0.237   2.435
  236   1HB   ALA  32          1HB       ALA  32  -1.708  -2.452   1.066
  237   2HB   ALA  32          2HB       ALA  32  -3.140  -1.461   1.307
  238   3HB   ALA  32          3HB       ALA  32  -2.281  -2.116   2.701
  239    H    ILE  33           H        ILE  33  -0.461  -0.125   4.061
  240    HA   ILE  33           HA       ILE  33   2.111  -1.471   3.569
  241    HB   ILE  33           HB       ILE  33   1.799   1.049   5.280
  242   1HG1  ILE  33          2HG1      ILE  33   3.047   0.796   2.547
  243   2HG1  ILE  33          1HG1      ILE  33   1.547   1.637   2.888
  244   1HG2  ILE  33          1HG2      ILE  33   4.262   1.096   5.198
  245   2HG2  ILE  33          2HG2      ILE  33   4.268  -0.459   4.395
  246   3HG2  ILE  33          3HG2      ILE  33   3.646  -0.320   6.052
  247   1HD1  ILE  33          1HD1      ILE  33   2.781   3.215   4.320
  248   2HD1  ILE  33          2HD1      ILE  33   3.396   3.199   2.660
  249   3HD1  ILE  33          3HD1      ILE  33   4.266   2.345   3.935
  250    H    LYS  34           H        LYS  34   2.067  -3.211   4.871
  251    HA   LYS  34           HA       LYS  34   1.584  -4.631   6.464
  252   1HB   LYS  34          2HB       LYS  34   2.062  -2.162   7.992
  253   2HB   LYS  34          1HB       LYS  34   1.174  -3.404   8.865
  254   1HG   LYS  34          2HG       LYS  34   3.840  -3.805   7.513
  255   2HG   LYS  34          1HG       LYS  34   3.596  -3.546   9.247
  256   1HD   LYS  34          2HD       LYS  34   2.187  -5.555   9.355
  257   2HD   LYS  34          1HD       LYS  34   2.435  -5.844   7.642
  258   1HE   LYS  34          2HE       LYS  34   4.819  -6.118   8.047
  259   2HE   LYS  34          1HE       LYS  34   4.559  -5.845   9.772
  260   1HZ   LYS  34          1HZ       LYS  34   4.644  -8.216   9.308
  261   2HZ   LYS  34          2HZ       LYS  34   3.435  -8.106   8.170
  262   3HZ   LYS  34          3HZ       LYS  34   3.087  -7.820   9.778
  263    H    GLY  35           H        GLY  35  -0.512  -3.660   4.901
  264   1HA   GLY  35          2HA       GLY  35  -2.630  -4.377   4.740
  265   2HA   GLY  35          1HA       GLY  35  -2.692  -4.792   6.421
  266    H    ARG  36           H        ARG  36  -1.503  -1.689   6.206
  267    HA   ARG  36           HA       ARG  36  -4.140  -0.652   6.832
  268   1HB   ARG  36          2HB       ARG  36  -1.428   0.644   7.126
  269   2HB   ARG  36          1HB       ARG  36  -2.955   1.282   7.724
  270   1HG   ARG  36          2HG       ARG  36  -3.142  -0.782   9.146
  271   2HG   ARG  36          1HG       ARG  36  -1.492  -1.160   8.623
  272   1HD   ARG  36          2HD       ARG  36  -2.329   1.364  10.039
  273   2HD   ARG  36          1HD       ARG  36  -1.592  -0.025  10.823
  274    HE   ARG  36           HE       ARG  36   0.153   0.664   8.845
  275   1HH1  ARG  36          1HH1      ARG  36  -1.350   2.424  11.537
  276   2HH1  ARG  36          2HH1      ARG  36   0.024   3.372  11.861
  277   1HH2  ARG  36          1HH2      ARG  36   2.021   1.971   9.313
  278   2HH2  ARG  36          2HH2      ARG  36   1.956   3.144  10.559
  279    H    VAL  37           H        VAL  37  -5.204   0.400   5.358
  280    HA   VAL  37           HA       VAL  37  -3.831   1.016   2.890
  281    HB   VAL  37           HB       VAL  37  -6.791   0.923   3.544
  282   1HG1  VAL  37          1HG1      VAL  37  -7.120   1.191   1.123
  283   2HG1  VAL  37          2HG1      VAL  37  -5.370   1.409   0.950
  284   3HG1  VAL  37          3HG1      VAL  37  -6.321   2.601   1.833
  285   1HG2  VAL  37          1HG2      VAL  37  -5.702  -1.251   3.452
  286   2HG2  VAL  37          2HG2      VAL  37  -5.032  -0.852   1.868
  287   3HG2  VAL  37          3HG2      VAL  37  -6.772  -1.022   2.069
  288    H    PHE  38           H        PHE  38  -3.247   2.901   2.372
  289    HA   PHE  38           HA       PHE  38  -4.254   5.238   3.847
  290   1HB   PHE  38          2HB       PHE  38  -1.742   4.794   2.279
  291   2HB   PHE  38          1HB       PHE  38  -2.166   6.338   3.011
  292    HD1  PHE  38           1HD      PHE  38  -1.811   6.697   5.353
  293    HD2  PHE  38           2HD      PHE  38  -1.078   2.849   3.679
  294    HE1  PHE  38           1HE      PHE  38  -0.638   6.015   7.405
  295    HE2  PHE  38           2HE      PHE  38   0.087   2.177   5.734
  296    HZ   PHE  38           HZ       PHE  38   0.313   3.757   7.588
  297    H    ASP  39           H        ASP  39  -5.172   6.878   2.686
  298    HA   ASP  39           HA       ASP  39  -5.862   6.317  -0.068
  299   1HB   ASP  39          2HB       ASP  39  -7.604   7.303   1.293
  300   2HB   ASP  39          1HB       ASP  39  -6.582   8.691   1.666
  301    H    VAL  40           H        VAL  40  -4.515   6.711  -1.604
  302    HA   VAL  40           HA       VAL  40  -2.927   9.162  -1.427
  303    HB   VAL  40           HB       VAL  40  -1.435   8.155  -3.182
  304   1HG1  VAL  40          1HG1      VAL  40  -1.653   6.614  -0.601
  305   2HG1  VAL  40          2HG1      VAL  40  -0.778   8.133  -0.865
  306   3HG1  VAL  40          3HG1      VAL  40  -0.253   6.661  -1.682
  307   1HG2  VAL  40          1HG2      VAL  40  -2.936   5.627  -2.537
  308   2HG2  VAL  40          2HG2      VAL  40  -1.510   5.775  -3.587
  309   3HG2  VAL  40          3HG2      VAL  40  -3.027   6.541  -4.039
  310    H    THR  41           H        THR  41  -5.737   8.433  -2.462
  311    HA   THR  41           HA       THR  41  -5.798   9.028  -5.209
  312    HB   THR  41           HB       THR  41  -7.928   9.729  -3.150
  313    HG1  THR  41           1HG      THR  41  -7.893   7.684  -2.779
  314   1HG2  THR  41          1HG2      THR  41  -9.471   9.334  -5.011
  315   2HG2  THR  41          2HG2      THR  41  -8.109   8.928  -6.057
  316   3HG2  THR  41          3HG2      THR  41  -8.283  10.570  -5.435
  317    H    THR  42           H        THR  42  -5.573  10.914  -2.303
  318    HA   THR  42           HA       THR  42  -6.014  13.458  -3.436
  319    HB   THR  42           HB       THR  42  -6.300  13.074  -1.043
  320    HG1  THR  42           1HG      THR  42  -5.497  15.167  -1.890
  321   1HG2  THR  42          1HG2      THR  42  -4.560  11.404  -0.670
  322   2HG2  THR  42          2HG2      THR  42  -4.377  12.745   0.462
  323   3HG2  THR  42          3HG2      THR  42  -3.316  12.624  -0.942
  324    H    GLY  43           H        GLY  43  -3.249  11.350  -3.380
  325   1HA   GLY  43          2HA       GLY  43  -1.538  13.508  -4.448
  326   2HA   GLY  43          1HA       GLY  43  -0.928  12.071  -3.620
  327    H    LYS  44           H        LYS  44  -3.456  12.387  -6.048
  328    HA   LYS  44           HA       LYS  44  -2.979  10.054  -7.341
  329   1HB   LYS  44          2HB       LYS  44  -5.019  11.287  -7.274
  330   2HB   LYS  44          1HB       LYS  44  -4.302  12.582  -8.218
  331   1HG   LYS  44          2HG       LYS  44  -4.035  11.045 -10.098
  332   2HG   LYS  44          1HG       LYS  44  -4.696   9.772  -9.112
  333   1HD   LYS  44          2HD       LYS  44  -6.176  12.277  -9.875
  334   2HD   LYS  44          1HD       LYS  44  -6.272  10.659 -10.599
  335   1HE   LYS  44          2HE       LYS  44  -7.063   9.718  -8.496
  336   2HE   LYS  44          1HE       LYS  44  -6.944  11.298  -7.727
  337   1HZ   LYS  44          1HZ       LYS  44  -8.713  10.609  -9.985
  338   2HZ   LYS  44          2HZ       LYS  44  -8.616  12.123  -9.225
  339   3HZ   LYS  44          3HZ       LYS  44  -9.191  10.778  -8.373
  340    H    SER  45           H        SER  45  -1.572  13.212  -7.896
  341    HA   SER  45           HA       SER  45  -0.745  12.818 -10.542
  342   1HB   SER  45          2HB       SER  45   0.766  14.749 -10.088
  343   2HB   SER  45          1HB       SER  45  -0.901  15.030  -9.587
  344    HG   SER  45           HG       SER  45  -0.329  15.053  -7.576
  345    H    PHE  46           H        PHE  46   0.509  11.630  -7.584
  346    HA   PHE  46           HA       PHE  46   3.106  10.981  -8.760
  347   1HB   PHE  46          2HB       PHE  46   2.064  10.549  -5.949
  348   2HB   PHE  46          1HB       PHE  46   3.691  10.180  -6.499
  349    HD1  PHE  46           1HD      PHE  46   5.276  11.978  -6.970
  350    HD2  PHE  46           2HD      PHE  46   1.373  12.795  -5.488
  351    HE1  PHE  46           1HE      PHE  46   5.990  14.252  -6.353
  352    HE2  PHE  46           2HE      PHE  46   2.076  15.071  -4.872
  353    HZ   PHE  46           HZ       PHE  46   4.391  15.801  -5.306
  354    H    TYR  47           H        TYR  47   0.280   9.418  -7.305
  355    HA   TYR  47           HA       TYR  47   1.395   6.817  -7.880
  356   1HB   TYR  47          2HB       TYR  47  -1.086   7.597  -6.345
  357   2HB   TYR  47          1HB       TYR  47  -0.491   5.949  -6.521
  358    HD1  TYR  47           1HD      TYR  47   0.273   9.265  -5.090
  359    HD2  TYR  47           2HD      TYR  47   1.344   5.154  -5.207
  360    HE1  TYR  47           1HE      TYR  47   1.783   9.617  -3.188
  361    HE2  TYR  47           2HE      TYR  47   2.858   5.493  -3.299
  362    HH   TYR  47           HH       TYR  47   4.084   7.295  -2.255
  363    H    GLY  48           H        GLY  48  -2.000   7.952  -8.304
  364   1HA   GLY  48          2HA       GLY  48  -2.258   5.977 -10.419
  365   2HA   GLY  48          1HA       GLY  48  -3.558   6.833  -9.656
  366    H    SER  49           H        SER  49  -0.745   7.542 -11.544
  367    HA   SER  49           HA       SER  49  -2.370   9.082 -13.435
  368   1HB   SER  49          2HB       SER  49  -1.470  10.655 -11.678
  369   2HB   SER  49          1HB       SER  49   0.152  10.139 -12.108
  370    HG   SER  49           HG       SER  49   0.100  11.584 -13.564
  371    H    GLY  50           H        GLY  50  -0.774   6.484 -13.143
  372   1HA   GLY  50          2HA       GLY  50   0.651   5.213 -14.387
  373   2HA   GLY  50          1HA       GLY  50   0.596   6.474 -15.619
  374    H    GLY  51           H        GLY  51   1.514   7.009 -12.319
  375   1HA   GLY  51          2HA       GLY  51   3.995   8.188 -13.232
  376   2HA   GLY  51          1HA       GLY  51   3.305   8.303 -11.620
  377    H    ASP  52           H        ASP  52   5.675   7.953 -11.281
  378    HA   ASP  52           HA       ASP  52   6.813   5.380 -11.686
  379   1HB   ASP  52          2HB       ASP  52   8.154   7.429 -11.518
  380   2HB   ASP  52          1HB       ASP  52   7.610   7.656  -9.868
  381    H    TYR  53           H        TYR  53   4.760   6.733  -9.329
  382    HA   TYR  53           HA       TYR  53   5.346   4.652  -7.378
  383   1HB   TYR  53          2HB       TYR  53   3.567   7.083  -7.208
  384   2HB   TYR  53          1HB       TYR  53   3.766   5.914  -5.913
  385    HD1  TYR  53           1HD      TYR  53   5.197   8.758  -7.639
  386    HD2  TYR  53           2HD      TYR  53   5.944   5.728  -4.756
  387    HE1  TYR  53           1HE      TYR  53   7.125  10.027  -6.814
  388    HE2  TYR  53           2HE      TYR  53   7.875   6.984  -3.917
  389    HH   TYR  53           HH       TYR  53   9.454   8.671  -4.817
  390    H    SER  54           H        SER  54   3.749   4.424 -10.050
  391    HA   SER  54           HA       SER  54   1.067   3.891  -9.286
  392   1HB   SER  54          2HB       SER  54   1.693   4.532 -11.602
  393   2HB   SER  54          1HB       SER  54   2.540   2.987 -11.751
  394    HG   SER  54           HG       SER  54   0.369   2.122 -11.078
  395    H    MET  55           H        MET  55   3.867   2.097  -8.780
  396    HA   MET  55           HA       MET  55   2.593  -0.488  -9.032
  397   1HB   MET  55          2HB       MET  55   5.284   0.148  -7.821
  398   2HB   MET  55          1HB       MET  55   4.672  -1.450  -8.221
  399   1HG   MET  55          2HG       MET  55   5.323   0.771 -10.061
  400   2HG   MET  55          1HG       MET  55   6.225  -0.715  -9.896
  401   1HE   MET  55          1HE       MET  55   5.353   0.262 -12.774
  402   2HE   MET  55          2HE       MET  55   4.728  -1.226 -13.481
  403   3HE   MET  55          3HE       MET  55   6.183  -1.267 -12.486
  404    H    PHE  56           H        PHE  56   3.034   1.883  -6.654
  405    HA   PHE  56           HA       PHE  56   2.548   0.118  -4.414
  406   1HB   PHE  56          2HB       PHE  56   2.504   3.147  -4.547
  407   2HB   PHE  56          1HB       PHE  56   2.554   2.168  -3.088
  408    HD1  PHE  56           1HD      PHE  56   4.447   3.638  -5.768
  409    HD2  PHE  56           2HD      PHE  56   4.591   0.909  -2.546
  410    HE1  PHE  56           1HE      PHE  56   6.888   3.710  -5.843
  411    HE2  PHE  56           2HE      PHE  56   7.030   0.953  -2.589
  412    HZ   PHE  56           HZ       PHE  56   8.212   2.361  -4.248
  413    H    ALA  57           H        ALA  57   0.943   2.192  -6.591
  414    HA   ALA  57           HA       ALA  57  -1.482   2.560  -5.228
  415   1HB   ALA  57          1HB       ALA  57  -2.308   3.352  -7.378
  416   2HB   ALA  57          2HB       ALA  57  -0.912   2.645  -8.182
  417   3HB   ALA  57          3HB       ALA  57  -0.691   3.988  -7.063
  418    H    GLY  58           H        GLY  58  -2.975   1.076  -4.810
  419   1HA   GLY  58          2HA       GLY  58  -4.521  -0.553  -5.261
  420   2HA   GLY  58          1HA       GLY  58  -3.780  -0.787  -6.829
  421    H    LYS  59           H        LYS  59  -1.572  -0.842  -4.197
  422    HA   LYS  59           HA       LYS  59  -1.763  -3.718  -3.973
  423   1HB   LYS  59          2HB       LYS  59  -0.390  -3.318  -6.000
  424   2HB   LYS  59          1HB       LYS  59   0.657  -2.287  -5.063
  425   1HG   LYS  59          2HG       LYS  59   1.629  -4.486  -5.523
  426   2HG   LYS  59          1HG       LYS  59   1.474  -4.144  -3.801
  427   1HD   LYS  59          2HD       LYS  59   0.923  -6.450  -4.447
  428   2HD   LYS  59          1HD       LYS  59  -0.378  -5.630  -3.616
  429   1HE   LYS  59          2HE       LYS  59  -1.265  -6.926  -5.504
  430   2HE   LYS  59          1HE       LYS  59  -1.440  -5.213  -5.858
  431   1HZ   LYS  59          1HZ       LYS  59   0.566  -5.357  -7.241
  432   2HZ   LYS  59          2HZ       LYS  59  -0.598  -6.464  -7.757
  433   3HZ   LYS  59          3HZ       LYS  59   0.706  -6.989  -6.840
  434    H    ASP  60           H        ASP  60  -0.985  -4.446  -1.995
  435    HA   ASP  60           HA       ASP  60  -0.054  -2.501  -0.104
  436   1HB   ASP  60          2HB       ASP  60  -1.265  -4.605   0.630
  437   2HB   ASP  60          1HB       ASP  60   0.128  -5.530   0.078
  438    H    ALA  61           H        ALA  61   1.971  -1.989   0.324
  439    HA   ALA  61           HA       ALA  61   3.942  -3.077  -1.571
  440   1HB   ALA  61          1HB       ALA  61   3.691  -0.298  -0.483
  441   2HB   ALA  61          2HB       ALA  61   3.206  -0.837  -2.095
  442   3HB   ALA  61          3HB       ALA  61   4.907  -0.867  -1.621
  443    H    SER  62           H        SER  62   3.429  -3.867   1.321
  444    HA   SER  62           HA       SER  62   5.300  -2.749   3.027
  445   1HB   SER  62          2HB       SER  62   4.308  -5.603   2.971
  446   2HB   SER  62          1HB       SER  62   5.123  -4.823   4.329
  447    HG   SER  62           HG       SER  62   2.619  -4.274   3.184
  448    H    ARG  63           H        ARG  63   5.791  -5.549   0.873
  449    HA   ARG  63           HA       ARG  63   8.562  -5.805   1.613
  450   1HB   ARG  63          2HB       ARG  63   7.424  -7.776   0.779
  451   2HB   ARG  63          1HB       ARG  63   7.022  -6.934  -0.717
  452   1HG   ARG  63          2HG       ARG  63   9.383  -6.856  -1.322
  453   2HG   ARG  63          1HG       ARG  63   9.802  -7.686   0.176
  454   1HD   ARG  63          2HD       ARG  63   8.701  -9.676  -0.536
  455   2HD   ARG  63          1HD       ARG  63   7.957  -8.844  -1.903
  456    HE   ARG  63           HE       ARG  63  10.638  -8.533  -2.270
  457   1HH1  ARG  63          1HH1      ARG  63   8.649 -11.447  -1.813
  458   2HH1  ARG  63          2HH1      ARG  63   9.489 -12.329  -2.995
  459   1HH2  ARG  63          1HH2      ARG  63  11.738  -9.747  -3.807
  460   2HH2  ARG  63          2HH2      ARG  63  11.312 -11.387  -4.135
  461    H    ALA  64           H        ALA  64   6.815  -4.104  -0.805
  462    HA   ALA  64           HA       ALA  64   8.891  -3.694  -2.739
  463   1HB   ALA  64          1HB       ALA  64   6.490  -1.958  -2.224
  464   2HB   ALA  64          2HB       ALA  64   6.492  -3.356  -3.275
  465   3HB   ALA  64          3HB       ALA  64   7.475  -1.948  -3.678
  466    H    LEU  65           H        LEU  65   7.641  -1.921  -0.106
  467    HA   LEU  65           HA       LEU  65   9.123   0.413  -0.301
  468   1HB   LEU  65          2HB       LEU  65   7.783  -1.055   1.862
  469   2HB   LEU  65          1HB       LEU  65   8.566   0.459   2.180
  470    HG   LEU  65           HG       LEU  65   6.180  -0.036   0.366
  471   1HD1  LEU  65          1HD1      LEU  65   5.650  -0.010   2.711
  472   2HD1  LEU  65          2HD1      LEU  65   5.031   1.428   1.899
  473   3HD1  LEU  65          3HD1      LEU  65   6.468   1.535   2.906
  474   1HD2  LEU  65          1HD2      LEU  65   7.755   2.395   0.934
  475   2HD2  LEU  65          2HD2      LEU  65   6.185   2.416   0.122
  476   3HD2  LEU  65          3HD2      LEU  65   7.593   1.635  -0.652
  477    H    GLY  66           H        GLY  66   9.925  -2.629   1.290
  478   1HA   GLY  66          2HA       GLY  66  12.284  -1.402   2.410
  479   2HA   GLY  66          1HA       GLY  66  11.862  -3.087   2.584
  480    H    LYS  67           H        LYS  67  11.470  -3.191  -0.373
  481    HA   LYS  67           HA       LYS  67  14.219  -3.862  -1.020
  482   1HB   LYS  67          2HB       LYS  67  11.748  -4.010  -2.744
  483   2HB   LYS  67          1HB       LYS  67  13.288  -4.758  -3.099
  484   1HG   LYS  67          2HG       LYS  67  11.450  -5.456  -0.825
  485   2HG   LYS  67          1HG       LYS  67  11.635  -6.392  -2.294
  486   1HD   LYS  67          2HD       LYS  67  13.714  -5.907  -0.149
  487   2HD   LYS  67          1HD       LYS  67  12.861  -7.410  -0.501
  488   1HE   LYS  67          2HE       LYS  67  13.934  -7.484  -2.714
  489   2HE   LYS  67          1HE       LYS  67  14.758  -5.974  -2.286
  490   1HZ   LYS  67          1HZ       LYS  67  15.836  -7.087  -0.470
  491   2HZ   LYS  67          2HZ       LYS  67  16.198  -7.878  -1.920
  492   3HZ   LYS  67          3HZ       LYS  67  15.082  -8.546  -0.851
  493    H    MET  68           H        MET  68  11.840  -1.471  -1.808
  494    HA   MET  68           HA       MET  68  11.864   0.552  -2.764
  495   1HB   MET  68          2HB       MET  68  14.834   0.157  -3.286
  496   2HB   MET  68          1HB       MET  68  13.941   1.647  -3.525
  497   1HG   MET  68          2HG       MET  68  13.442   1.631  -1.065
  498   2HG   MET  68          1HG       MET  68  14.520   0.257  -0.950
  499   1HE   MET  68          1HE       MET  68  15.957   4.442  -2.303
  500   2HE   MET  68          2HE       MET  68  14.279   4.074  -1.901
  501   3HE   MET  68          3HE       MET  68  15.014   3.384  -3.346
  502    H    SER  69           H        SER  69  11.587  -2.015  -3.869
  503    HA   SER  69           HA       SER  69  12.254  -1.653  -6.693
  504   1HB   SER  69          2HB       SER  69  11.427  -4.069  -5.110
  505   2HB   SER  69          1HB       SER  69  11.896  -4.045  -6.805
  506    HG   SER  69           HG       SER  69  13.774  -2.857  -5.303
  507    H    LYS  70           H        LYS  70  10.887  -1.570  -8.122
  508    HA   LYS  70           HA       LYS  70   8.089  -1.114  -7.414
  509   1HB   LYS  70          2HB       LYS  70   9.788  -0.384  -9.777
  510   2HB   LYS  70          1HB       LYS  70   8.126   0.139  -9.499
  511   1HG   LYS  70          2HG       LYS  70   8.692   1.504  -7.747
  512   2HG   LYS  70          1HG       LYS  70  10.204   0.652  -7.438
  513   1HD   LYS  70          2HD       LYS  70  11.153   1.520  -9.423
  514   2HD   LYS  70          1HD       LYS  70   9.620   2.233  -9.883
  515   1HE   LYS  70          2HE       LYS  70   9.752   3.703  -7.877
  516   2HE   LYS  70          1HE       LYS  70  11.284   2.947  -7.455
  517   1HZ   LYS  70          1HZ       LYS  70  10.722   4.609  -9.847
  518   2HZ   LYS  70          2HZ       LYS  70  12.209   3.855  -9.551
  519   3HZ   LYS  70          3HZ       LYS  70  11.639   5.055  -8.513
  520    H    ASN  71           H        ASN  71  10.227  -3.222  -8.911
  521    HA   ASN  71           HA       ASN  71   8.596  -4.389 -10.879
  522   1HB   ASN  71          2HB       ASN  71   9.946  -6.447 -10.479
  523   2HB   ASN  71          1HB       ASN  71  10.907  -5.037 -11.049
  524   1HD2  ASN  71          1HD2      ASN  71  10.364  -7.450  -8.777
  525   2HD2  ASN  71          2HD2      ASN  71  11.576  -7.036  -7.617
  526    H    GLU  72           H        GLU  72   7.276  -6.019 -10.951
  527    HA   GLU  72           HA       GLU  72   5.382  -6.274  -8.961
  528   1HB   GLU  72          2HB       GLU  72   4.596  -8.181 -10.268
  529   2HB   GLU  72          1HB       GLU  72   4.802  -6.718 -11.240
  530   1HG   GLU  72          2HG       GLU  72   6.907  -7.652 -12.095
  531   2HG   GLU  72          1HG       GLU  72   6.690  -9.077 -11.082
  532    H    GLU  73           H        GLU  73   8.214  -8.133  -9.525
  533    HA   GLU  73           HA       GLU  73   7.644 -10.428  -8.026
  534   1HB   GLU  73          2HB       GLU  73   9.440 -10.219  -9.626
  535   2HB   GLU  73          1HB       GLU  73  10.275  -9.073  -8.601
  536   1HG   GLU  73          2HG       GLU  73  11.307 -11.206  -8.403
  537   2HG   GLU  73          1HG       GLU  73  10.481 -10.745  -6.907
  538    H    ASP  74           H        ASP  74   8.928  -7.259  -7.097
  539    HA   ASP  74           HA       ASP  74   9.220  -8.281  -4.386
  540   1HB   ASP  74          2HB       ASP  74  10.504  -5.914  -5.712
  541   2HB   ASP  74          1HB       ASP  74  10.525  -6.125  -3.967
  542    H    VAL  75           H        VAL  75   6.975  -6.669  -6.117
  543    HA   VAL  75           HA       VAL  75   6.228  -5.047  -3.808
  544    HB   VAL  75           HB       VAL  75   4.520  -5.290  -6.321
  545   1HG1  VAL  75          1HG1      VAL  75   3.442  -4.404  -4.390
  546   2HG1  VAL  75          2HG1      VAL  75   3.665  -3.155  -5.655
  547   3HG1  VAL  75          3HG1      VAL  75   4.695  -3.166  -4.232
  548   1HG2  VAL  75          1HG2      VAL  75   6.662  -3.276  -5.744
  549   2HG2  VAL  75          2HG2      VAL  75   5.550  -3.244  -7.118
  550   3HG2  VAL  75          3HG2      VAL  75   6.752  -4.544  -6.966
  551    H    SER  76           H        SER  76   5.008  -5.775  -2.254
  552    HA   SER  76           HA       SER  76   3.196  -7.935  -2.563
  553   1HB   SER  76          2HB       SER  76   5.974  -8.271  -1.713
  554   2HB   SER  76          1HB       SER  76   4.746  -9.351  -1.037
  555    HG   SER  76           HG       SER  76   4.839  -8.925  -3.810
  556    HA   PRO  77           HA       PRO  77   1.881  -6.327   1.389
  557   1HB   PRO  77          2HB       PRO  77   0.330  -8.307   2.278
  558   2HB   PRO  77          1HB       PRO  77  -0.084  -7.406   0.816
  559   1HG   PRO  77          2HG       PRO  77   1.226 -10.083   1.076
  560   2HG   PRO  77          1HG       PRO  77  -0.086  -9.586  -0.009
  561   1HD   PRO  77          2HD       PRO  77   2.527  -9.758  -0.778
  562   2HD   PRO  77          1HD       PRO  77   1.365  -8.637  -1.514
  563    H    SER  78           H        SER  78   3.968  -9.029   1.420
  564    HA   SER  78           HA       SER  78   4.123  -9.058   4.409
  565   1HB   SER  78          2HB       SER  78   4.996 -11.120   2.393
  566   2HB   SER  78          1HB       SER  78   5.083 -11.203   4.158
  567    HG   SER  78           HG       SER  78   2.754 -10.899   4.082
  568    H    LEU  79           H        LEU  79   6.109  -9.474   5.353
  569    HA   LEU  79           HA       LEU  79   7.931  -7.628   4.110
  570   1HB   LEU  79          2HB       LEU  79   8.110  -8.793   6.897
  571   2HB   LEU  79          1HB       LEU  79   9.053  -7.509   6.159
  572    HG   LEU  79           HG       LEU  79   6.196  -7.400   7.036
  573   1HD1  LEU  79          1HD1      LEU  79   8.545  -5.658   7.723
  574   2HD1  LEU  79          2HD1      LEU  79   7.854  -6.905   8.759
  575   3HD1  LEU  79          3HD1      LEU  79   6.910  -5.474   8.326
  576   1HD2  LEU  79          1HD2      LEU  79   6.270  -6.449   4.870
  577   2HD2  LEU  79          2HD2      LEU  79   7.656  -5.436   5.300
  578   3HD2  LEU  79          3HD2      LEU  79   6.080  -5.163   6.068
  579    H    GLU  80           H        GLU  80   7.396 -10.738   3.917
  580    HA   GLU  80           HA       GLU  80   8.423 -12.397   2.893
  581   1HB   GLU  80          2HB       GLU  80   9.065 -10.483   1.455
  582   2HB   GLU  80          1HB       GLU  80  10.596 -10.415   2.268
  583   1HG   GLU  80          2HG       GLU  80  10.843 -11.622   0.205
  584   2HG   GLU  80          1HG       GLU  80  11.050 -12.668   1.629
  585    H    GLY  81           H        GLY  81  11.444 -10.904   3.669
  586   1HA   GLY  81          2HA       GLY  81  11.875 -12.315   5.989
  587   2HA   GLY  81          1HA       GLY  81  12.756 -13.096   4.656
  588    H    LEU  82           H        LEU  82  11.949  -9.786   5.309
  589    HA   LEU  82           HA       LEU  82  14.437  -8.822   4.343
  590   1HB   LEU  82          2HB       LEU  82  12.094  -7.453   5.630
  591   2HB   LEU  82          1HB       LEU  82  13.458  -6.617   4.909
  592    HG   LEU  82           HG       LEU  82  11.611  -8.462   3.385
  593   1HD1  LEU  82          1HD1      LEU  82  10.724  -6.477   2.385
  594   2HD1  LEU  82          2HD1      LEU  82  11.707  -5.452   3.436
  595   3HD1  LEU  82          3HD1      LEU  82  10.412  -6.471   4.122
  596   1HD2  LEU  82          1HD2      LEU  82  12.655  -7.537   1.459
  597   2HD2  LEU  82          2HD2      LEU  82  13.938  -8.165   2.542
  598   3HD2  LEU  82          3HD2      LEU  82  13.539  -6.439   2.495
  599    H    THR  83           H        THR  83  16.172  -8.130   5.365
  600    HA   THR  83           HA       THR  83  16.461  -8.590   8.170
  601    HB   THR  83           HB       THR  83  18.765  -7.749   7.690
  602    HG1  THR  83           1HG      THR  83  19.232  -7.433   5.438
  603   1HG2  THR  83          1HG2      THR  83  19.435  -9.631   6.259
  604   2HG2  THR  83          2HG2      THR  83  17.747  -9.870   5.795
  605   3HG2  THR  83          3HG2      THR  83  18.250 -10.139   7.468
  606    H    GLU  84           H        GLU  84  17.803  -6.574   9.229
  607    HA   GLU  84           HA       GLU  84  15.833  -4.592   9.358
  608   1HB   GLU  84          2HB       GLU  84  18.538  -4.695  10.620
  609   2HB   GLU  84          1HB       GLU  84  17.388  -3.385  10.911
  610   1HG   GLU  84          2HG       GLU  84  15.749  -5.065  11.682
  611   2HG   GLU  84          1HG       GLU  84  16.976  -6.304  11.484
  612    H    LYS  85           H        LYS  85  18.800  -4.676   7.549
  613    HA   LYS  85           HA       LYS  85  19.046  -1.987   6.751
  614   1HB   LYS  85          2HB       LYS  85  20.595  -3.692   5.990
  615   2HB   LYS  85          1HB       LYS  85  19.307  -4.519   5.129
  616   1HG   LYS  85          2HG       LYS  85  19.031  -2.395   3.787
  617   2HG   LYS  85          1HG       LYS  85  20.574  -1.879   4.470
  618   1HD   LYS  85          2HD       LYS  85  20.053  -4.393   2.948
  619   2HD   LYS  85          1HD       LYS  85  20.823  -2.955   2.269
  620   1HE   LYS  85          2HE       LYS  85  22.655  -3.165   3.927
  621   2HE   LYS  85          1HE       LYS  85  21.903  -4.625   4.554
  622   1HZ   LYS  85          1HZ       LYS  85  22.908  -4.296   1.777
  623   2HZ   LYS  85          2HZ       LYS  85  22.276  -5.714   2.445
  624   3HZ   LYS  85          3HZ       LYS  85  23.713  -5.100   3.012
  625    H    GLU  86           H        GLU  86  17.285  -4.601   5.316
  626    HA   GLU  86           HA       GLU  86  15.960  -3.347   3.227
  627   1HB   GLU  86          2HB       GLU  86  15.389  -5.686   4.938
  628   2HB   GLU  86          1HB       GLU  86  14.533  -5.326   3.465
  629   1HG   GLU  86          2HG       GLU  86  17.490  -5.949   3.762
  630   2HG   GLU  86          1HG       GLU  86  16.278  -7.090   3.200
  631    H    ILE  87           H        ILE  87  14.923  -4.399   6.378
  632    HA   ILE  87           HA       ILE  87  12.358  -3.581   6.213
  633    HB   ILE  87           HB       ILE  87  14.153  -4.429   8.332
  634   1HG1  ILE  87          2HG1      ILE  87  12.957  -5.964   6.902
  635   2HG1  ILE  87          1HG1      ILE  87  12.563  -6.233   8.586
  636   1HG2  ILE  87          1HG2      ILE  87  12.415  -4.206  10.101
  637   2HG2  ILE  87          2HG2      ILE  87  11.433  -3.295   8.934
  638   3HG2  ILE  87          3HG2      ILE  87  12.982  -2.640   9.487
  639   1HD1  ILE  87          1HD1      ILE  87  10.859  -4.829   6.535
  640   2HD1  ILE  87          2HD1      ILE  87  10.535  -4.893   8.257
  641   3HD1  ILE  87          3HD1      ILE  87  10.562  -6.395   7.320
  642    H    ASN  88           H        ASN  88  15.131  -1.891   7.669
  643    HA   ASN  88           HA       ASN  88  13.741   0.293   8.755
  644   1HB   ASN  88          2HB       ASN  88  16.548  -0.062   7.885
  645   2HB   ASN  88          1HB       ASN  88  15.978   1.573   8.172
  646   1HD2  ASN  88          1HD2      ASN  88  16.788  -1.470   9.576
  647   2HD2  ASN  88          2HD2      ASN  88  16.749  -0.995  11.241
  648    H    THR  89           H        THR  89  14.787  -0.327   5.545
  649    HA   THR  89           HA       THR  89  14.450   2.226   4.498
  650    HB   THR  89           HB       THR  89  14.129  -0.503   3.248
  651    HG1  THR  89           1HG      THR  89  16.222  -0.283   3.962
  652   1HG2  THR  89          1HG2      THR  89  13.063   1.159   1.927
  653   2HG2  THR  89          2HG2      THR  89  14.570   0.645   1.142
  654   3HG2  THR  89          3HG2      THR  89  14.491   2.200   2.024
  655    H    LEU  90           H        LEU  90  12.209  -0.528   4.694
  656    HA   LEU  90           HA       LEU  90   9.936   0.845   3.651
  657   1HB   LEU  90          2HB       LEU  90   9.502  -1.251   3.380
  658   2HB   LEU  90          1HB       LEU  90  10.584  -1.809   4.596
  659    HG   LEU  90           HG       LEU  90   8.605  -0.929   6.153
  660   1HD1  LEU  90          1HD1      LEU  90   7.227  -0.032   4.487
  661   2HD1  LEU  90          2HD1      LEU  90   6.432  -1.376   5.302
  662   3HD1  LEU  90          3HD1      LEU  90   7.103  -1.602   3.688
  663   1HD2  LEU  90          1HD2      LEU  90   7.710  -3.181   6.215
  664   2HD2  LEU  90          2HD2      LEU  90   9.489  -3.134   6.207
  665   3HD2  LEU  90          3HD2      LEU  90   8.601  -3.544   4.729
  666    H    ASN  91           H        ASN  91  11.025  -0.020   6.872
  667    HA   ASN  91           HA       ASN  91   8.936   0.868   8.432
  668   1HB   ASN  91          2HB       ASN  91  11.169  -0.297   9.042
  669   2HB   ASN  91          1HB       ASN  91  11.808   1.335   9.179
  670   1HD2  ASN  91          1HD2      ASN  91   9.699  -1.018  10.455
  671   2HD2  ASN  91          2HD2      ASN  91   9.364  -0.278  11.962
  672    H    ASP  92           H        ASP  92  11.546   2.715   6.944
  673    HA   ASP  92           HA       ASP  92  10.785   5.264   7.958
  674   1HB   ASP  92          2HB       ASP  92  13.029   4.974   7.111
  675   2HB   ASP  92          1HB       ASP  92  12.419   4.453   5.547
  676    H    TRP  93           H        TRP  93  10.115   3.507   4.963
  677    HA   TRP  93           HA       TRP  93   8.497   5.421   3.684
  678   1HB   TRP  93          2HB       TRP  93   8.795   2.507   3.482
  679   2HB   TRP  93          1HB       TRP  93   7.504   3.278   2.599
  680    HD1  TRP  93           HD       TRP  93  10.994   2.232   2.216
  681    HE1  TRP  93           1HE      TRP  93  12.144   3.377   0.227
  682    HE3  TRP  93           3HE      TRP  93   7.579   5.929   1.324
  683    HZ2  TRP  93           2HZ      TRP  93  11.671   5.552  -1.501
  684    HZ3  TRP  93           3HZ      TRP  93   8.007   7.503  -0.521
  685    HH2  TRP  93           HH       TRP  93  10.009   7.318  -1.901
  686    H    GLU  94           H        GLU  94   7.548   3.028   6.004
  687    HA   GLU  94           HA       GLU  94   4.803   3.352   5.879
  688   1HB   GLU  94          2HB       GLU  94   6.512   3.186   8.368
  689   2HB   GLU  94          1HB       GLU  94   4.780   2.930   8.321
  690   1HG   GLU  94          2HG       GLU  94   5.089   1.009   6.914
  691   2HG   GLU  94          1HG       GLU  94   6.841   1.222   6.922
  692    H    THR  95           H        THR  95   7.052   5.112   7.806
  693    HA   THR  95           HA       THR  95   5.581   7.065   9.049
  694    HB   THR  95           HB       THR  95   8.365   7.381   7.957
  695    HG1  THR  95           1HG      THR  95   8.592   5.526   9.032
  696   1HG2  THR  95          1HG2      THR  95   8.725   8.663  10.051
  697   2HG2  THR  95          2HG2      THR  95   7.037   8.404  10.489
  698   3HG2  THR  95          3HG2      THR  95   7.440   9.372   9.072
  699    H    LYS  96           H        LYS  96   6.665   6.929   5.724
  700    HA   LYS  96           HA       LYS  96   6.575   9.763   5.239
  701   1HB   LYS  96          2HB       LYS  96   6.875   7.404   3.384
  702   2HB   LYS  96          1HB       LYS  96   7.103   9.090   2.926
  703   1HG   LYS  96          2HG       LYS  96   8.641   7.742   5.092
  704   2HG   LYS  96          1HG       LYS  96   9.258   7.788   3.467
  705   1HD   LYS  96          2HD       LYS  96   9.139  10.311   3.608
  706   2HD   LYS  96          1HD       LYS  96   8.631  10.126   5.286
  707   1HE   LYS  96          2HE       LYS  96  10.707   9.020   5.829
  708   2HE   LYS  96          1HE       LYS  96  11.221   9.092   4.150
  709   1HZ   LYS  96          1HZ       LYS  96  11.216  11.534   4.325
  710   2HZ   LYS  96          2HZ       LYS  96  12.256  10.799   5.423
  711   3HZ   LYS  96          3HZ       LYS  96  10.787  11.404   5.960
  712    H    PHE  97           H        PHE  97   4.652   6.978   4.741
  713    HA   PHE  97           HA       PHE  97   2.556   8.395   3.396
  714   1HB   PHE  97          2HB       PHE  97   2.913   5.637   4.452
  715   2HB   PHE  97          1HB       PHE  97   1.382   6.161   3.812
  716    HD1  PHE  97           1HD      PHE  97   1.026   6.219   1.455
  717    HD2  PHE  97           2HD      PHE  97   4.943   5.585   2.966
  718    HE1  PHE  97           1HE      PHE  97   1.801   5.617  -0.801
  719    HE2  PHE  97           2HE      PHE  97   5.722   4.977   0.713
  720    HZ   PHE  97           HZ       PHE  97   4.147   4.992  -1.171
  721    H    GLU  98           H        GLU  98   3.215   7.012   6.550
  722    HA   GLU  98           HA       GLU  98   0.784   7.323   7.834
  723   1HB   GLU  98          2HB       GLU  98   3.584   7.319   8.797
  724   2HB   GLU  98          1HB       GLU  98   2.324   7.366   9.974
  725   1HG   GLU  98          2HG       GLU  98   1.472   5.213   8.876
  726   2HG   GLU  98          1HG       GLU  98   2.996   5.233   7.999
  727    H    ALA  99           H        ALA  99   3.143   9.790   7.140
  728    HA   ALA  99           HA       ALA  99   1.878  11.635   9.030
  729   1HB   ALA  99          1HB       ALA  99   4.312  11.880   7.336
  730   2HB   ALA  99          2HB       ALA  99   4.327  11.422   9.051
  731   3HB   ALA  99          3HB       ALA  99   3.792  13.042   8.547
  732    H    LYS 100           H        LYS 100   1.170  10.635   6.056
  733    HA   LYS 100           HA       LYS 100   0.906  13.376   5.052
  734   1HB   LYS 100          2HB       LYS 100   2.855  11.992   4.174
  735   2HB   LYS 100          1HB       LYS 100   1.640  11.004   3.398
  736   1HG   LYS 100          2HG       LYS 100   2.326  12.440   1.713
  737   2HG   LYS 100          1HG       LYS 100   0.843  13.152   2.370
  738   1HD   LYS 100          2HD       LYS 100   3.481  13.956   3.421
  739   2HD   LYS 100          1HD       LYS 100   2.930  14.715   1.912
  740   1HE   LYS 100          2HE       LYS 100   1.748  14.933   4.726
  741   2HE   LYS 100          1HE       LYS 100   2.451  16.157   3.726
  742   1HZ   LYS 100          1HZ       LYS 100  -0.095  14.801   2.995
  743   2HZ   LYS 100          2HZ       LYS 100   0.636  16.056   2.179
  744   3HZ   LYS 100          3HZ       LYS 100   0.051  16.299   3.732
  745    H    TYR 101           H        TYR 101  -0.105  10.000   4.811
  746    HA   TYR 101           HA       TYR 101  -2.639  10.894   3.659
  747   1HB   TYR 101          2HB       TYR 101  -1.225   8.251   3.343
  748   2HB   TYR 101          1HB       TYR 101  -2.729   8.743   2.567
  749    HD1  TYR 101           1HD      TYR 101   0.763   8.537   2.244
  750    HD2  TYR 101           2HD      TYR 101  -2.570  10.886   1.065
  751    HE1  TYR 101           1HE      TYR 101   2.074   9.461   0.414
  752    HE2  TYR 101           2HE      TYR 101  -1.266  11.824  -0.792
  753    HH   TYR 101           HH       TYR 101   1.049  12.186  -1.365
  754    HA   PRO 102           HA       PRO 102  -4.437   9.077   7.262
  755   1HB   PRO 102          2HB       PRO 102  -6.979   8.955   6.467
  756   2HB   PRO 102          1HB       PRO 102  -6.181  10.511   6.753
  757   1HG   PRO 102          2HG       PRO 102  -6.663   9.081   4.164
  758   2HG   PRO 102          1HG       PRO 102  -6.933  10.788   4.545
  759   1HD   PRO 102          2HD       PRO 102  -4.707   9.919   3.255
  760   2HD   PRO 102          1HD       PRO 102  -4.715  11.313   4.365
  761    H    VAL 103           H        VAL 103  -4.802   7.091   7.985
  762    HA   VAL 103           HA       VAL 103  -4.864   4.818   6.204
  763    HB   VAL 103           HB       VAL 103  -5.359   4.872   9.219
  764   1HG1  VAL 103          1HG1      VAL 103  -6.323   2.891   8.191
  765   2HG1  VAL 103          2HG1      VAL 103  -4.900   2.449   9.141
  766   3HG1  VAL 103          3HG1      VAL 103  -4.796   2.543   7.382
  767   1HG2  VAL 103          1HG2      VAL 103  -3.082   4.034   9.454
  768   2HG2  VAL 103          2HG2      VAL 103  -3.073   5.602   8.636
  769   3HG2  VAL 103          3HG2      VAL 103  -2.865   4.108   7.713
  770    H    VAL 104           H        VAL 104  -6.614   4.833   5.022
  771    HA   VAL 104           HA       VAL 104  -9.185   5.553   6.179
  772    HB   VAL 104           HB       VAL 104 -10.107   5.325   3.887
  773   1HG1  VAL 104          1HG1      VAL 104  -7.628   7.030   4.115
  774   2HG1  VAL 104          2HG1      VAL 104  -9.243   7.465   4.675
  775   3HG1  VAL 104          3HG1      VAL 104  -8.935   7.266   2.952
  776   1HG2  VAL 104          1HG2      VAL 104  -8.564   5.017   2.007
  777   2HG2  VAL 104          2HG2      VAL 104  -8.598   3.592   3.047
  778   3HG2  VAL 104          3HG2      VAL 104  -7.246   4.725   3.140
  779    H    GLY 105           H        GLY 105  -7.494   2.760   6.020
  780   1HA   GLY 105          2HA       GLY 105  -9.441   1.234   7.123
  781   2HA   GLY 105          1HA       GLY 105  -9.637   1.014   5.392
  782    H    ARG 106           H        ARG 106  -9.110  -1.045   5.405
  783    HA   ARG 106           HA       ARG 106  -6.324  -1.759   6.017
  784   1HB   ARG 106          2HB       ARG 106  -7.198  -3.915   6.768
  785   2HB   ARG 106          1HB       ARG 106  -7.541  -2.687   7.924
  786   1HG   ARG 106          2HG       ARG 106  -9.831  -2.544   7.101
  787   2HG   ARG 106          1HG       ARG 106  -9.437  -3.773   5.891
  788   1HD   ARG 106          2HD       ARG 106 -10.493  -4.797   7.795
  789   2HD   ARG 106          1HD       ARG 106  -8.772  -5.231   7.513
  790    HE   ARG 106           HE       ARG 106  -9.052  -3.093   9.353
  791   1HH1  ARG 106          1HH1      ARG 106  -9.234  -6.624   9.233
  792   2HH1  ARG 106          2HH1      ARG 106  -8.913  -6.840  10.887
  793   1HH2  ARG 106          1HH2      ARG 106  -8.643  -3.412  11.655
  794   2HH2  ARG 106          2HH2      ARG 106  -8.563  -4.988  12.291
  795    H    VAL 107           H        VAL 107  -5.660  -3.602   4.930
  796    HA   VAL 107           HA       VAL 107  -7.566  -4.606   3.003
  797    HB   VAL 107           HB       VAL 107  -5.597  -3.578   1.830
  798   1HG1  VAL 107          1HG1      VAL 107  -3.924  -3.983   3.458
  799   2HG1  VAL 107          2HG1      VAL 107  -3.455  -4.767   1.916
  800   3HG1  VAL 107          3HG1      VAL 107  -4.112  -5.727   3.254
  801   1HG2  VAL 107          1HG2      VAL 107  -6.878  -5.289   0.839
  802   2HG2  VAL 107          2HG2      VAL 107  -6.020  -6.475   1.777
  803   3HG2  VAL 107          3HG2      VAL 107  -5.158  -5.623   0.448
  804    H    VAL 108           H        VAL 108  -7.966  -6.685   3.066
  805    HA   VAL 108           HA       VAL 108  -6.609  -8.241   5.160
  806    HB   VAL 108           HB       VAL 108  -8.796  -9.047   5.888
  807   1HG1  VAL 108          1HG1      VAL 108  -8.864  -6.197   5.289
  808   2HG1  VAL 108          2HG1      VAL 108  -8.011  -6.869   6.705
  809   3HG1  VAL 108          3HG1      VAL 108  -9.817  -6.928   6.558
  810   1HG2  VAL 108          1HG2      VAL 108  -9.954  -8.993   3.679
  811   2HG2  VAL 108          2HG2      VAL 108  -9.899  -7.202   3.884
  812   3HG2  VAL 108          3HG2      VAL 108 -10.825  -8.161   5.011
  813    H    SER 109           H        SER 109  -6.177 -10.388   4.456
  814    HA   SER 109           HA       SER 109  -8.269 -11.370   2.810
  815   1HB   SER 109          2HB       SER 109  -6.731 -12.408   1.104
  816   2HB   SER 109          1HB       SER 109  -6.818 -10.632   1.153
  817    HG   SER 109           HG       SER 109  -4.868 -11.147   2.708
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1 -15.826  -6.091  -5.224
    2   2H    MET   1          2HT       MET   1 -14.422  -6.858  -4.742
    3   3H    MET   1          3HT       MET   1 -14.823  -6.776  -6.399
    4    HA   MET   1           HA       MET   1 -13.088  -5.179  -5.779
    5   1HB   MET   1          2HB       MET   1 -15.777  -3.969  -6.564
    6   2HB   MET   1          1HB       MET   1 -14.246  -3.130  -6.674
    7   1HG   MET   1          2HG       MET   1 -14.928  -3.929  -8.838
    8   2HG   MET   1          1HG       MET   1 -13.474  -4.771  -8.321
    9   1HE   MET   1          1HE       MET   1 -15.359  -7.456 -10.462
   10   2HE   MET   1          2HE       MET   1 -13.844  -6.587 -10.220
   11   3HE   MET   1          3HE       MET   1 -15.284  -5.716 -10.749
   12    H    GLY   2           H        GLY   2 -13.513  -2.531  -5.039
   13   1HA   GLY   2          2HA       GLY   2 -14.832  -2.447  -2.498
   14   2HA   GLY   2          1HA       GLY   2 -13.071  -2.427  -2.398
   15    H    HIS   3           H        HIS   3 -15.832  -0.565  -2.888
   16    HA   HIS   3           HA       HIS   3 -14.282   1.562  -4.168
   17   1HB   HIS   3          2HB       HIS   3 -17.275   1.353  -3.731
   18   2HB   HIS   3          1HB       HIS   3 -16.470   2.722  -4.486
   19    HD1  HIS   3           1HD      HIS   3 -16.169   2.580  -6.981
   20    HD2  HIS   3           2HD      HIS   3 -17.049  -1.115  -5.289
   21    HE1  HIS   3           1HE      HIS   3 -16.503   1.024  -8.898
   22    HE2  HIS   3           2HE      HIS   3 -17.184  -1.144  -7.885
   23    H    HIS   4           H        HIS   4 -16.965   1.757  -1.870
   24    HA   HIS   4           HA       HIS   4 -15.382   2.677   0.280
   25   1HB   HIS   4          2HB       HIS   4 -17.080   4.707  -1.200
   26   2HB   HIS   4          1HB       HIS   4 -16.722   4.876   0.512
   27    HD1  HIS   4           1HD      HIS   4 -15.513   5.933  -2.709
   28    HD2  HIS   4           2HD      HIS   4 -13.739   4.901   0.909
   29    HE1  HIS   4           1HE      HIS   4 -13.240   6.916  -2.772
   30    HE2  HIS   4           2HE      HIS   4 -12.103   6.014  -0.737
   31    H    HIS   5           H        HIS   5 -16.231   1.714   1.835
   32    HA   HIS   5           HA       HIS   5 -19.136   1.603   2.061
   33   1HB   HIS   5          2HB       HIS   5 -18.925  -0.734   3.002
   34   2HB   HIS   5          1HB       HIS   5 -18.597  -0.613   1.282
   35    HD1  HIS   5           1HD      HIS   5 -17.144  -1.785   4.462
   36    HD2  HIS   5           2HD      HIS   5 -15.757  -0.864   0.652
   37    HE1  HIS   5           1HE      HIS   5 -14.885  -2.814   4.302
   38    HE2  HIS   5           2HE      HIS   5 -14.108  -2.360   1.963
   39    H    HIS   6           H        HIS   6 -19.391   3.015   3.565
   40    HA   HIS   6           HA       HIS   6 -17.450   3.350   5.616
   41   1HB   HIS   6          2HB       HIS   6 -18.854   5.218   6.516
   42   2HB   HIS   6          1HB       HIS   6 -18.381   5.403   4.838
   43    HD1  HIS   6           1HD      HIS   6 -21.317   5.174   7.067
   44    HD2  HIS   6           2HD      HIS   6 -20.571   5.155   2.986
   45    HE1  HIS   6           1HE      HIS   6 -23.532   5.583   5.982
   46    HE2  HIS   6           2HE      HIS   6 -23.093   5.443   3.523
   47    H    HIS   7           H        HIS   7 -17.483   1.379   6.454
   48    HA   HIS   7           HA       HIS   7 -19.033   1.228   8.920
   49   1HB   HIS   7          2HB       HIS   7 -18.584  -1.129   7.038
   50   2HB   HIS   7          1HB       HIS   7 -19.161  -1.268   8.688
   51    HD1  HIS   7           1HD      HIS   7 -21.618  -1.249   8.971
   52    HD2  HIS   7           2HD      HIS   7 -20.466   0.165   5.254
   53    HE1  HIS   7           1HE      HIS   7 -23.749  -0.982   7.667
   54    HE2  HIS   7           2HE      HIS   7 -22.973  -0.413   5.342
   55    H    HIS   8           H        HIS   8 -17.309   1.702  10.182
   56    HA   HIS   8           HA       HIS   8 -15.231   1.665  11.112
   57   1HB   HIS   8          2HB       HIS   8 -14.954  -1.058   9.736
   58   2HB   HIS   8          1HB       HIS   8 -13.852  -0.437  10.953
   59    HD1  HIS   8           1HD      HIS   8 -14.587  -0.663  13.430
   60    HD2  HIS   8           2HD      HIS   8 -17.437  -1.983  10.703
   61    HE1  HIS   8           1HE      HIS   8 -16.262  -1.908  14.766
   62    HE2  HIS   8           2HE      HIS   8 -18.010  -2.660  13.133
   63    H    LEU   9           H        LEU   9 -12.730   0.714   9.909
   64    HA   LEU   9           HA       LEU   9 -12.522   2.664   7.829
   65   1HB   LEU   9          2HB       LEU   9 -10.501   0.631   8.806
   66   2HB   LEU   9          1HB       LEU   9 -10.177   1.885   7.630
   67    HG   LEU   9           HG       LEU   9 -10.898   2.340  10.517
   68   1HD1  LEU   9          1HD1      LEU   9  -8.316   2.692   9.010
   69   2HD1  LEU   9          2HD1      LEU   9  -8.657   1.457  10.223
   70   3HD1  LEU   9          3HD1      LEU   9  -8.600   3.158  10.685
   71   1HD2  LEU   9          1HD2      LEU   9 -10.200   4.287   8.317
   72   2HD2  LEU   9          2HD2      LEU   9 -10.348   4.695  10.019
   73   3HD2  LEU   9          3HD2      LEU   9 -11.764   4.145   9.125
   74    H    GLU  10           H        GLU  10 -11.436   2.006   5.696
   75    HA   GLU  10           HA       GLU  10 -13.296   0.256   4.413
   76   1HB   GLU  10          2HB       GLU  10 -10.856   1.616   3.321
   77   2HB   GLU  10          1HB       GLU  10 -12.035   0.736   2.369
   78   1HG   GLU  10          2HG       GLU  10 -12.479   3.250   3.934
   79   2HG   GLU  10          1HG       GLU  10 -12.387   3.028   2.181
   80    H    GLU  11           H        GLU  11 -13.045  -1.857   4.839
   81    HA   GLU  11           HA       GLU  11 -10.510  -3.066   4.711
   82   1HB   GLU  11          2HB       GLU  11 -12.104  -4.098   6.127
   83   2HB   GLU  11          1HB       GLU  11 -13.263  -4.253   4.810
   84   1HG   GLU  11          2HG       GLU  11 -11.915  -5.778   3.681
   85   2HG   GLU  11          1HG       GLU  11 -10.572  -5.608   4.753
   86    H    PHE  12           H        PHE  12  -9.467  -3.570   3.084
   87    HA   PHE  12           HA       PHE  12 -10.739  -4.195   0.519
   88   1HB   PHE  12          2HB       PHE  12  -8.233  -2.885   1.344
   89   2HB   PHE  12          1HB       PHE  12  -8.471  -3.732  -0.179
   90    HD1  PHE  12           1HD      PHE  12 -10.011  -2.681  -1.864
   91    HD2  PHE  12           2HD      PHE  12  -9.199  -0.743   1.837
   92    HE1  PHE  12           1HE      PHE  12 -10.963  -0.592  -2.746
   93    HE2  PHE  12           2HE      PHE  12 -10.155   1.337   0.962
   94    HZ   PHE  12           HZ       PHE  12 -11.038   1.416  -1.335
   95    H    THR  13           H        THR  13 -10.091  -6.154  -0.357
   96    HA   THR  13           HA       THR  13  -8.071  -7.604   1.185
   97    HB   THR  13           HB       THR  13  -9.610  -8.666  -1.188
   98    HG1  THR  13           1HG      THR  13 -10.710  -7.754   0.992
   99   1HG2  THR  13          1HG2      THR  13  -7.751  -9.940  -0.351
  100   2HG2  THR  13          2HG2      THR  13  -9.282 -10.785  -0.006
  101   3HG2  THR  13          3HG2      THR  13  -8.432  -9.878   1.271
  102    H    ALA  14           H        ALA  14  -6.176  -8.396   0.001
  103    HA   ALA  14           HA       ALA  14  -5.148  -6.322  -1.601
  104   1HB   ALA  14          1HB       ALA  14  -3.881  -9.048  -1.336
  105   2HB   ALA  14          2HB       ALA  14  -3.729  -7.719  -0.176
  106   3HB   ALA  14          3HB       ALA  14  -3.112  -7.529  -1.814
  107    H    GLU  15           H        GLU  15  -6.356  -9.473  -2.587
  108    HA   GLU  15           HA       GLU  15  -5.752  -9.308  -5.325
  109   1HB   GLU  15          2HB       GLU  15  -8.162 -10.541  -3.981
  110   2HB   GLU  15          1HB       GLU  15  -7.728 -10.793  -5.665
  111   1HG   GLU  15          2HG       GLU  15  -6.065 -11.565  -3.283
  112   2HG   GLU  15          1HG       GLU  15  -7.034 -12.657  -4.275
  113    H    GLN  16           H        GLN  16  -8.570  -8.247  -3.570
  114    HA   GLN  16           HA       GLN  16  -9.971  -7.086  -5.726
  115   1HB   GLN  16          2HB       GLN  16 -10.153  -6.748  -2.743
  116   2HB   GLN  16          1HB       GLN  16 -11.149  -5.787  -3.814
  117   1HG   GLN  16          2HG       GLN  16 -12.344  -7.721  -2.916
  118   2HG   GLN  16          1HG       GLN  16 -12.218  -7.783  -4.659
  119   1HE2  GLN  16          1HE2      GLN  16 -11.327  -9.245  -1.669
  120   2HE2  GLN  16          2HE2      GLN  16 -10.644 -10.680  -2.338
  121    H    LEU  17           H        LEU  17  -7.645  -5.834  -3.461
  122    HA   LEU  17           HA       LEU  17  -7.955  -3.105  -4.022
  123   1HB   LEU  17          2HB       LEU  17  -6.941  -3.950  -1.977
  124   2HB   LEU  17          1HB       LEU  17  -5.589  -4.576  -2.901
  125    HG   LEU  17           HG       LEU  17  -5.017  -2.244  -3.549
  126   1HD1  LEU  17          1HD1      LEU  17  -5.979  -0.408  -2.299
  127   2HD1  LEU  17          2HD1      LEU  17  -7.121  -1.533  -1.552
  128   3HD1  LEU  17          3HD1      LEU  17  -7.187  -1.232  -3.291
  129   1HD2  LEU  17          1HD2      LEU  17  -5.129  -2.788  -0.596
  130   2HD2  LEU  17          2HD2      LEU  17  -4.105  -1.594  -1.408
  131   3HD2  LEU  17          3HD2      LEU  17  -3.869  -3.321  -1.721
  132    H    SER  18           H        SER  18  -6.135  -5.615  -5.608
  133    HA   SER  18           HA       SER  18  -4.022  -4.131  -6.747
  134   1HB   SER  18          2HB       SER  18  -5.250  -6.737  -7.652
  135   2HB   SER  18          1HB       SER  18  -3.693  -6.108  -8.191
  136    HG   SER  18           HG       SER  18  -4.338  -6.585  -5.459
  137    H    GLN  19           H        GLN  19  -6.849  -3.197  -7.345
  138    HA   GLN  19           HA       GLN  19  -6.590  -2.802 -10.282
  139   1HB   GLN  19          2HB       GLN  19  -9.099  -2.773  -8.602
  140   2HB   GLN  19          1HB       GLN  19  -9.009  -2.650 -10.354
  141   1HG   GLN  19          2HG       GLN  19  -8.252  -4.914 -10.532
  142   2HG   GLN  19          1HG       GLN  19  -8.111  -5.047  -8.778
  143   1HE2  GLN  19          1HE2      GLN  19  -9.971  -5.125  -7.547
  144   2HE2  GLN  19          2HE2      GLN  19 -11.483  -5.603  -8.221
  145    H    TYR  20           H        TYR  20  -6.635  -1.470  -7.156
  146    HA   TYR  20           HA       TYR  20  -7.726   1.095  -7.927
  147   1HB   TYR  20          2HB       TYR  20  -7.168  -0.227  -5.291
  148   2HB   TYR  20          1HB       TYR  20  -7.766   1.425  -5.402
  149    HD1  TYR  20           1HD      TYR  20  -8.631  -2.078  -5.576
  150    HD2  TYR  20           2HD      TYR  20  -9.969   1.829  -6.533
  151    HE1  TYR  20           1HE      TYR  20 -10.908  -2.946  -5.885
  152    HE2  TYR  20           2HE      TYR  20 -12.264   0.971  -6.838
  153    HH   TYR  20           HH       TYR  20 -13.320  -1.119  -7.384
  154    H    ASN  21           H        ASN  21  -5.291   0.480  -8.970
  155    HA   ASN  21           HA       ASN  21  -3.283   1.978  -7.497
  156   1HB   ASN  21          2HB       ASN  21  -1.824   1.499  -9.476
  157   2HB   ASN  21          1HB       ASN  21  -2.466   0.049  -8.715
  158   1HD2  ASN  21          1HD2      ASN  21  -2.174  -1.155 -10.578
  159   2HD2  ASN  21          2HD2      ASN  21  -3.172  -0.975 -11.961
  160    H    GLY  22           H        GLY  22  -5.814   2.659  -9.451
  161   1HA   GLY  22          2HA       GLY  22  -6.555   4.856  -9.879
  162   2HA   GLY  22          1HA       GLY  22  -4.895   5.400  -9.715
  163    H    THR  23           H        THR  23  -4.460   2.966 -11.800
  164    HA   THR  23           HA       THR  23  -4.662   4.913 -13.961
  165    HB   THR  23           HB       THR  23  -2.505   3.761 -13.490
  166    HG1  THR  23           1HG      THR  23  -3.661   3.416 -16.088
  167   1HG2  THR  23          1HG2      THR  23  -3.883   1.384 -14.753
  168   2HG2  THR  23          2HG2      THR  23  -3.297   1.487 -13.091
  169   3HG2  THR  23          3HG2      THR  23  -2.151   1.487 -14.432
  170    H    ASP  24           H        ASP  24  -6.564   2.529 -12.788
  171    HA   ASP  24           HA       ASP  24  -7.272   1.463 -15.337
  172   1HB   ASP  24          2HB       ASP  24  -7.405   0.279 -13.051
  173   2HB   ASP  24          1HB       ASP  24  -8.837   1.201 -12.769
  174    H    GLU  25           H        GLU  25 -10.008   1.587 -15.469
  175    HA   GLU  25           HA       GLU  25 -10.284   4.369 -15.946
  176   1HB   GLU  25          2HB       GLU  25 -12.481   3.714 -16.994
  177   2HB   GLU  25          1HB       GLU  25 -11.026   3.077 -17.744
  178   1HG   GLU  25          2HG       GLU  25 -11.396   0.944 -16.734
  179   2HG   GLU  25          1HG       GLU  25 -12.793   1.548 -15.851
  180    H    SER  26           H        SER  26 -10.204   5.052 -13.934
  181    HA   SER  26           HA       SER  26 -11.227   6.385 -12.429
  182   1HB   SER  26          2HB       SER  26 -13.141   6.652 -13.936
  183   2HB   SER  26          1HB       SER  26 -13.798   5.116 -13.356
  184    HG   SER  26           HG       SER  26 -13.262   6.925 -11.364
  185    H    LYS  27           H        LYS  27  -9.879   4.900 -11.289
  186    HA   LYS  27           HA       LYS  27 -11.395   3.411  -9.283
  187   1HB   LYS  27          2HB       LYS  27  -8.821   2.807 -10.659
  188   2HB   LYS  27          1HB       LYS  27  -9.033   2.291  -9.000
  189   1HG   LYS  27          2HG       LYS  27  -9.505   0.590 -10.701
  190   2HG   LYS  27          1HG       LYS  27 -10.858   0.863  -9.610
  191   1HD   LYS  27          2HD       LYS  27 -11.875   2.250 -11.387
  192   2HD   LYS  27          1HD       LYS  27 -10.555   1.855 -12.470
  193   1HE   LYS  27          2HE       LYS  27 -11.064  -0.494 -12.117
  194   2HE   LYS  27          1HE       LYS  27 -12.520  -0.058 -11.214
  195   1HZ   LYS  27          1HZ       LYS  27 -11.854   0.444 -14.036
  196   2HZ   LYS  27          2HZ       LYS  27 -13.190   1.193 -13.304
  197   3HZ   LYS  27          3HZ       LYS  27 -13.142  -0.481 -13.473
  198    HA   PRO  28           HA       PRO  28  -9.629   6.368  -6.336
  199   1HB   PRO  28          2HB       PRO  28 -10.272   4.064  -4.557
  200   2HB   PRO  28          1HB       PRO  28 -10.696   5.770  -4.351
  201   1HG   PRO  28          2HG       PRO  28 -12.545   4.012  -5.084
  202   2HG   PRO  28          1HG       PRO  28 -12.490   5.623  -5.820
  203   1HD   PRO  28          2HD       PRO  28 -11.608   3.002  -6.938
  204   2HD   PRO  28          1HD       PRO  28 -12.406   4.366  -7.741
  205    H    ILE  29           H        ILE  29  -7.640   6.319  -5.052
  206    HA   ILE  29           HA       ILE  29  -5.948   4.070  -5.907
  207    HB   ILE  29           HB       ILE  29  -4.974   6.843  -5.162
  208   1HG1  ILE  29          2HG1      ILE  29  -5.644   5.786  -7.916
  209   2HG1  ILE  29          1HG1      ILE  29  -6.581   6.995  -7.072
  210   1HG2  ILE  29          1HG2      ILE  29  -3.357   4.927  -5.210
  211   2HG2  ILE  29          2HG2      ILE  29  -3.022   6.144  -6.438
  212   3HG2  ILE  29          3HG2      ILE  29  -3.822   4.640  -6.887
  213   1HD1  ILE  29          1HD1      ILE  29  -3.724   7.304  -7.878
  214   2HD1  ILE  29          2HD1      ILE  29  -4.764   8.536  -7.137
  215   3HD1  ILE  29          3HD1      ILE  29  -5.132   7.896  -8.748
  216    H    TYR  30           H        TYR  30  -5.218   2.795  -4.295
  217    HA   TYR  30           HA       TYR  30  -4.957   3.951  -1.640
  218   1HB   TYR  30          2HB       TYR  30  -6.694   1.605  -2.313
  219   2HB   TYR  30          1HB       TYR  30  -6.088   1.868  -0.680
  220    HD1  TYR  30           1HD      TYR  30  -6.518   4.176   0.315
  221    HD2  TYR  30           2HD      TYR  30  -8.688   2.639  -2.987
  222    HE1  TYR  30           1HE      TYR  30  -8.281   5.782   0.749
  223    HE2  TYR  30           2HE      TYR  30 -10.491   4.275  -2.540
  224    HH   TYR  30           HH       TYR  30  -9.949   6.881  -0.487
  225    H    VAL  31           H        VAL  31  -3.273   3.386  -0.559
  226    HA   VAL  31           HA       VAL  31  -1.586   1.171  -1.567
  227    HB   VAL  31           HB       VAL  31  -0.746   3.690  -0.078
  228   1HG1  VAL  31          1HG1      VAL  31   0.718   1.793   0.464
  229   2HG1  VAL  31          2HG1      VAL  31   1.548   2.986  -0.548
  230   3HG1  VAL  31          3HG1      VAL  31   0.953   1.494  -1.265
  231   1HG2  VAL  31          1HG2      VAL  31   0.327   4.333  -2.132
  232   2HG2  VAL  31          2HG2      VAL  31  -1.426   4.029  -2.378
  233   3HG2  VAL  31          3HG2      VAL  31  -0.230   2.824  -2.863
  234    H    ALA  32           H        ALA  32  -0.999  -0.344  -0.134
  235    HA   ALA  32           HA       ALA  32  -1.875   0.103   2.611
  236   1HB   ALA  32          1HB       ALA  32  -2.250  -2.258   2.800
  237   2HB   ALA  32          2HB       ALA  32  -1.677  -2.521   1.161
  238   3HB   ALA  32          3HB       ALA  32  -3.163  -1.627   1.435
  239    H    ILE  33           H        ILE  33  -0.480  -0.101   4.161
  240    HA   ILE  33           HA       ILE  33   2.133  -1.345   3.600
  241    HB   ILE  33           HB       ILE  33   1.716   1.104   5.347
  242   1HG1  ILE  33          2HG1      ILE  33   2.900   0.919   2.572
  243   2HG1  ILE  33          1HG1      ILE  33   1.402   1.727   3.013
  244   1HG2  ILE  33          1HG2      ILE  33   3.561  -0.223   6.104
  245   2HG2  ILE  33          2HG2      ILE  33   4.197   1.217   5.259
  246   3HG2  ILE  33          3HG2      ILE  33   4.189  -0.336   4.463
  247   1HD1  ILE  33          1HD1      ILE  33   2.642   3.313   4.383
  248   2HD1  ILE  33          2HD1      ILE  33   3.234   3.317   2.711
  249   3HD1  ILE  33          3HD1      ILE  33   4.134   2.469   3.976
  250    H    LYS  34           H        LYS  34   2.183  -3.104   4.807
  251    HA   LYS  34           HA       LYS  34   2.106  -4.549   6.524
  252   1HB   LYS  34          2HB       LYS  34   3.131  -2.331   7.644
  253   2HB   LYS  34          1HB       LYS  34   1.614  -2.325   8.513
  254   1HG   LYS  34          2HG       LYS  34   3.652  -4.568   8.563
  255   2HG   LYS  34          1HG       LYS  34   3.476  -3.330   9.793
  256   1HD   LYS  34          2HD       LYS  34   1.220  -4.166  10.275
  257   2HD   LYS  34          1HD       LYS  34   1.416  -5.395   9.031
  258   1HE   LYS  34          2HE       LYS  34   3.072  -5.115  11.540
  259   2HE   LYS  34          1HE       LYS  34   1.808  -6.310  11.264
  260   1HZ   LYS  34          1HZ       LYS  34   3.963  -7.272  10.892
  261   2HZ   LYS  34          2HZ       LYS  34   4.390  -6.088   9.821
  262   3HZ   LYS  34          3HZ       LYS  34   3.160  -7.190   9.417
  263    H    GLY  35           H        GLY  35  -0.355  -3.217   5.223
  264   1HA   GLY  35          2HA       GLY  35  -2.485  -4.372   5.391
  265   2HA   GLY  35          1HA       GLY  35  -2.333  -4.342   7.098
  266    H    ARG  36           H        ARG  36  -1.284  -1.379   6.731
  267    HA   ARG  36           HA       ARG  36  -3.908  -0.292   7.158
  268   1HB   ARG  36          2HB       ARG  36  -1.269   1.163   7.091
  269   2HB   ARG  36          1HB       ARG  36  -2.765   1.605   7.908
  270   1HG   ARG  36          2HG       ARG  36  -2.505  -0.244   9.441
  271   2HG   ARG  36          1HG       ARG  36  -1.006  -0.714   8.630
  272   1HD   ARG  36          2HD       ARG  36  -1.556   1.822  10.164
  273   2HD   ARG  36          1HD       ARG  36  -0.446   0.529  10.610
  274    HE   ARG  36           HE       ARG  36  -0.083   2.581   8.600
  275   1HH1  ARG  36          1HH1      ARG  36   1.272  -0.360  10.109
  276   2HH1  ARG  36          2HH1      ARG  36   2.879   0.006   9.618
  277   1HH2  ARG  36          1HH2      ARG  36   2.150   3.008   7.979
  278   2HH2  ARG  36          2HH2      ARG  36   3.351   1.862   8.437
  279    H    VAL  37           H        VAL  37  -5.044   0.672   5.564
  280    HA   VAL  37           HA       VAL  37  -3.680   1.237   3.054
  281    HB   VAL  37           HB       VAL  37  -6.613   0.778   3.664
  282   1HG1  VAL  37          1HG1      VAL  37  -5.353   1.728   1.104
  283   2HG1  VAL  37          2HG1      VAL  37  -6.465   2.668   2.105
  284   3HG1  VAL  37          3HG1      VAL  37  -7.033   1.215   1.272
  285   1HG2  VAL  37          1HG2      VAL  37  -5.151  -1.153   3.309
  286   2HG2  VAL  37          2HG2      VAL  37  -4.690  -0.452   1.743
  287   3HG2  VAL  37          3HG2      VAL  37  -6.351  -0.969   2.019
  288    H    PHE  38           H        PHE  38  -3.142   3.096   2.525
  289    HA   PHE  38           HA       PHE  38  -4.111   5.512   3.900
  290   1HB   PHE  38          2HB       PHE  38  -1.921   4.995   1.961
  291   2HB   PHE  38          1HB       PHE  38  -2.176   6.552   2.741
  292    HD1  PHE  38           1HD      PHE  38  -1.286   2.990   3.370
  293    HD2  PHE  38           2HD      PHE  38  -1.131   6.983   4.810
  294    HE1  PHE  38           1HE      PHE  38   0.234   2.281   5.157
  295    HE2  PHE  38           2HE      PHE  38   0.402   6.270   6.597
  296    HZ   PHE  38           HZ       PHE  38   1.083   3.923   6.770
  297    H    ASP  39           H        ASP  39  -5.115   7.164   2.722
  298    HA   ASP  39           HA       ASP  39  -6.064   6.464   0.061
  299   1HB   ASP  39          2HB       ASP  39  -7.624   7.612   1.647
  300   2HB   ASP  39          1HB       ASP  39  -6.553   9.005   1.645
  301    H    VAL  40           H        VAL  40  -4.677   6.728  -1.527
  302    HA   VAL  40           HA       VAL  40  -3.122   9.201  -1.519
  303    HB   VAL  40           HB       VAL  40  -1.619   8.074  -3.223
  304   1HG1  VAL  40          1HG1      VAL  40  -0.961   8.305  -0.901
  305   2HG1  VAL  40          2HG1      VAL  40  -0.373   6.807  -1.608
  306   3HG1  VAL  40          3HG1      VAL  40  -1.758   6.771  -0.501
  307   1HG2  VAL  40          1HG2      VAL  40  -1.629   5.685  -3.354
  308   2HG2  VAL  40          2HG2      VAL  40  -3.206   6.330  -3.858
  309   3HG2  VAL  40          3HG2      VAL  40  -3.012   5.598  -2.263
  310    H    THR  41           H        THR  41  -5.904   8.456  -2.456
  311    HA   THR  41           HA       THR  41  -6.001   8.794  -5.251
  312    HB   THR  41           HB       THR  41  -8.082   9.613  -3.191
  313    HG1  THR  41           1HG      THR  41  -8.225   7.577  -2.806
  314   1HG2  THR  41          1HG2      THR  41  -8.342   8.772  -6.089
  315   2HG2  THR  41          2HG2      THR  41  -8.540  10.410  -5.470
  316   3HG2  THR  41          3HG2      THR  41  -9.685   9.150  -5.010
  317    H    THR  42           H        THR  42  -5.816  10.931  -2.518
  318    HA   THR  42           HA       THR  42  -6.232  13.358  -3.929
  319    HB   THR  42           HB       THR  42  -6.608  13.213  -1.497
  320    HG1  THR  42           1HG      THR  42  -6.201  15.226  -1.476
  321   1HG2  THR  42          1HG2      THR  42  -4.811  11.662  -0.888
  322   2HG2  THR  42          2HG2      THR  42  -4.712  13.131   0.083
  323   3HG2  THR  42          3HG2      THR  42  -3.608  12.893  -1.272
  324    H    GLY  43           H        GLY  43  -3.513  11.260  -3.554
  325   1HA   GLY  43          2HA       GLY  43  -1.674  13.294  -4.635
  326   2HA   GLY  43          1HA       GLY  43  -1.179  11.821  -3.797
  327    H    LYS  44           H        LYS  44  -3.607  12.229  -6.234
  328    HA   LYS  44           HA       LYS  44  -3.175   9.871  -7.617
  329   1HB   LYS  44          2HB       LYS  44  -5.190  11.280  -7.738
  330   2HB   LYS  44          1HB       LYS  44  -4.290  12.441  -8.698
  331   1HG   LYS  44          2HG       LYS  44  -3.942  10.583 -10.391
  332   2HG   LYS  44          1HG       LYS  44  -5.085   9.653  -9.444
  333   1HD   LYS  44          2HD       LYS  44  -6.760  11.430  -9.679
  334   2HD   LYS  44          1HD       LYS  44  -5.520  12.303 -10.606
  335   1HE   LYS  44          2HE       LYS  44  -5.546  10.660 -12.337
  336   2HE   LYS  44          1HE       LYS  44  -6.667   9.641 -11.426
  337   1HZ   LYS  44          1HZ       LYS  44  -7.785  10.926 -13.168
  338   2HZ   LYS  44          2HZ       LYS  44  -7.274  12.366 -12.445
  339   3HZ   LYS  44          3HZ       LYS  44  -8.340  11.354 -11.634
  340    H    SER  45           H        SER  45  -1.727  13.014  -8.096
  341    HA   SER  45           HA       SER  45  -0.638  12.712 -10.626
  342   1HB   SER  45          2HB       SER  45   0.505  14.236  -8.279
  343   2HB   SER  45          1HB       SER  45   0.908  14.498  -9.976
  344    HG   SER  45           HG       SER  45  -1.146  15.168 -10.373
  345    H    PHE  46           H        PHE  46   0.614  11.587  -7.509
  346    HA   PHE  46           HA       PHE  46   3.088  10.691  -8.751
  347   1HB   PHE  46          2HB       PHE  46   2.097  10.400  -5.913
  348   2HB   PHE  46          1HB       PHE  46   3.677   9.902  -6.486
  349    HD1  PHE  46           1HD      PHE  46   5.297  11.641  -7.231
  350    HD2  PHE  46           2HD      PHE  46   1.638  12.620  -5.296
  351    HE1  PHE  46           1HE      PHE  46   6.190  13.864  -6.668
  352    HE2  PHE  46           2HE      PHE  46   2.521  14.841  -4.737
  353    HZ   PHE  46           HZ       PHE  46   4.803  15.466  -5.423
  354    H    TYR  47           H        TYR  47   0.143   9.379  -7.369
  355    HA   TYR  47           HA       TYR  47   1.168   6.713  -7.685
  356   1HB   TYR  47          2HB       TYR  47  -1.326   7.724  -6.344
  357   2HB   TYR  47          1HB       TYR  47  -0.817   6.036  -6.378
  358    HD1  TYR  47           1HD      TYR  47  -0.027   9.377  -5.072
  359    HD2  TYR  47           2HD      TYR  47   1.039   5.264  -5.031
  360    HE1  TYR  47           1HE      TYR  47   1.428   9.788  -3.152
  361    HE2  TYR  47           2HE      TYR  47   2.503   5.669  -3.092
  362    HH   TYR  47           HH       TYR  47   2.418   8.600  -1.349
  363    H    GLY  48           H        GLY  48  -1.891   8.376  -8.854
  364   1HA   GLY  48          2HA       GLY  48  -2.331   5.941 -10.446
  365   2HA   GLY  48          1HA       GLY  48  -3.533   7.100  -9.962
  366    H    SER  49           H        SER  49  -0.520   8.190 -11.290
  367    HA   SER  49           HA       SER  49  -1.970   8.839 -13.777
  368   1HB   SER  49          2HB       SER  49  -0.012  10.620 -12.319
  369   2HB   SER  49          1HB       SER  49  -0.877  11.009 -13.813
  370    HG   SER  49           HG       SER  49  -1.950  10.528 -11.250
  371    H    GLY  50           H        GLY  50   0.090   6.732 -12.921
  372   1HA   GLY  50          2HA       GLY  50   1.848   5.668 -13.963
  373   2HA   GLY  50          1HA       GLY  50   1.753   6.876 -15.249
  374    H    GLY  51           H        GLY  51   2.415   6.928 -11.806
  375   1HA   GLY  51          2HA       GLY  51   4.592   8.826 -12.332
  376   2HA   GLY  51          1HA       GLY  51   3.660   8.745 -10.841
  377    H    ASP  52           H        ASP  52   5.892   8.704 -10.010
  378    HA   ASP  52           HA       ASP  52   7.584   6.462 -10.463
  379   1HB   ASP  52          2HB       ASP  52   8.381   8.702  -9.775
  380   2HB   ASP  52          1HB       ASP  52   7.628   8.467  -8.205
  381    H    TYR  53           H        TYR  53   4.815   6.840  -8.525
  382    HA   TYR  53           HA       TYR  53   5.662   4.632  -6.791
  383   1HB   TYR  53          2HB       TYR  53   3.838   6.944  -6.110
  384   2HB   TYR  53          1HB       TYR  53   4.145   5.568  -5.057
  385    HD1  TYR  53           1HD      TYR  53   6.363   5.267  -4.028
  386    HD2  TYR  53           2HD      TYR  53   5.466   8.698  -6.375
  387    HE1  TYR  53           1HE      TYR  53   8.346   6.399  -3.121
  388    HE2  TYR  53           2HE      TYR  53   7.448   9.841  -5.472
  389    HH   TYR  53           HH       TYR  53   8.929   9.738  -3.548
  390    H    SER  54           H        SER  54   4.152   4.784  -9.397
  391    HA   SER  54           HA       SER  54   1.470   4.230  -9.068
  392   1HB   SER  54          2HB       SER  54   3.475   3.695 -11.126
  393   2HB   SER  54          1HB       SER  54   1.854   3.075 -11.358
  394    HG   SER  54           HG       SER  54   1.308   5.381 -10.682
  395    H    MET  55           H        MET  55   4.146   2.041  -8.656
  396    HA   MET  55           HA       MET  55   2.383  -0.225  -8.903
  397   1HB   MET  55          2HB       MET  55   5.256  -0.117  -8.021
  398   2HB   MET  55          1HB       MET  55   4.329  -1.590  -8.326
  399   1HG   MET  55          2HG       MET  55   4.902   0.578 -10.228
  400   2HG   MET  55          1HG       MET  55   5.708  -0.942 -10.284
  401   1HE   MET  55          1HE       MET  55   5.080  -1.480 -12.774
  402   2HE   MET  55          2HE       MET  55   4.297   0.097 -12.898
  403   3HE   MET  55          3HE       MET  55   3.452  -1.355 -13.436
  404    H    PHE  56           H        PHE  56   3.463   1.808  -6.438
  405    HA   PHE  56           HA       PHE  56   2.787   0.052  -4.239
  406   1HB   PHE  56          2HB       PHE  56   3.272   3.049  -4.301
  407   2HB   PHE  56          1HB       PHE  56   3.222   2.042  -2.867
  408    HD1  PHE  56           1HD      PHE  56   5.139   0.817  -2.181
  409    HD2  PHE  56           2HD      PHE  56   5.157   2.895  -5.876
  410    HE1  PHE  56           1HE      PHE  56   7.559   0.508  -2.327
  411    HE2  PHE  56           2HE      PHE  56   7.593   2.600  -6.045
  412    HZ   PHE  56           HZ       PHE  56   8.805   1.400  -4.263
  413    H    ALA  57           H        ALA  57   1.413   2.371  -6.295
  414    HA   ALA  57           HA       ALA  57  -0.487   3.740  -4.926
  415   1HB   ALA  57          1HB       ALA  57  -0.683   2.841  -7.760
  416   2HB   ALA  57          2HB       ALA  57   0.248   4.220  -7.173
  417   3HB   ALA  57          3HB       ALA  57  -1.514   4.205  -7.023
  418    H    GLY  58           H        GLY  58  -0.902   0.403  -5.975
  419   1HA   GLY  58          2HA       GLY  58  -3.575   0.607  -4.789
  420   2HA   GLY  58          1HA       GLY  58  -3.476   0.053  -6.444
  421    H    LYS  59           H        LYS  59  -0.951  -0.969  -4.143
  422    HA   LYS  59           HA       LYS  59  -2.418  -3.336  -3.649
  423   1HB   LYS  59          2HB       LYS  59  -1.176  -3.493  -5.739
  424   2HB   LYS  59          1HB       LYS  59   0.271  -3.016  -4.896
  425   1HG   LYS  59          2HG       LYS  59   0.218  -4.998  -3.573
  426   2HG   LYS  59          1HG       LYS  59  -1.299  -5.490  -4.343
  427   1HD   LYS  59          2HD       LYS  59   1.253  -4.946  -5.806
  428   2HD   LYS  59          1HD       LYS  59   0.669  -6.495  -5.194
  429   1HE   LYS  59          2HE       LYS  59  -1.248  -6.430  -6.664
  430   2HE   LYS  59          1HE       LYS  59  -0.910  -4.770  -7.123
  431   1HZ   LYS  59          1HZ       LYS  59   1.081  -5.504  -8.216
  432   2HZ   LYS  59          2HZ       LYS  59  -0.267  -6.299  -8.846
  433   3HZ   LYS  59          3HZ       LYS  59   0.773  -7.117  -7.801
  434    H    ASP  60           H        ASP  60  -1.308  -4.422  -1.805
  435    HA   ASP  60           HA       ASP  60  -0.118  -2.596   0.033
  436   1HB   ASP  60          2HB       ASP  60  -1.344  -4.655   0.774
  437   2HB   ASP  60          1HB       ASP  60  -0.057  -5.622   0.069
  438    H    ALA  61           H        ALA  61   1.875  -2.048   0.205
  439    HA   ALA  61           HA       ALA  61   3.752  -3.348  -1.646
  440   1HB   ALA  61          1HB       ALA  61   3.040  -1.148  -2.343
  441   2HB   ALA  61          2HB       ALA  61   4.756  -1.163  -1.936
  442   3HB   ALA  61          3HB       ALA  61   3.587  -0.469  -0.811
  443    H    SER  62           H        SER  62   3.400  -4.116   1.181
  444    HA   SER  62           HA       SER  62   5.155  -2.833   2.894
  445   1HB   SER  62          2HB       SER  62   4.413  -5.761   2.871
  446   2HB   SER  62          1HB       SER  62   5.169  -4.916   4.225
  447    HG   SER  62           HG       SER  62   2.629  -4.488   3.056
  448    H    ARG  63           H        ARG  63   6.017  -5.792   0.903
  449    HA   ARG  63           HA       ARG  63   8.684  -5.570   1.662
  450   1HB   ARG  63          2HB       ARG  63   8.037  -7.712   1.086
  451   2HB   ARG  63          1HB       ARG  63   7.159  -7.174  -0.329
  452   1HG   ARG  63          2HG       ARG  63   9.202  -6.818  -1.493
  453   2HG   ARG  63          1HG       ARG  63  10.144  -7.138  -0.041
  454   1HD   ARG  63          2HD       ARG  63   9.978  -8.907  -1.708
  455   2HD   ARG  63          1HD       ARG  63   9.572  -9.422  -0.064
  456    HE   ARG  63           HE       ARG  63   7.199  -9.132  -0.889
  457   1HH1  ARG  63          1HH1      ARG  63   9.782  -9.773  -3.251
  458   2HH1  ARG  63          2HH1      ARG  63   8.852 -10.838  -4.175
  459   1HH2  ARG  63          1HH2      ARG  63   5.891 -10.647  -2.252
  460   2HH2  ARG  63          2HH2      ARG  63   6.628 -11.304  -3.627
  461    H    ALA  64           H        ALA  64   6.833  -4.110  -0.837
  462    HA   ALA  64           HA       ALA  64   8.956  -3.654  -2.688
  463   1HB   ALA  64          1HB       ALA  64   6.692  -3.724  -3.495
  464   2HB   ALA  64          2HB       ALA  64   7.351  -2.108  -3.790
  465   3HB   ALA  64          3HB       ALA  64   6.238  -2.386  -2.446
  466    H    LEU  65           H        LEU  65   7.424  -1.961  -0.110
  467    HA   LEU  65           HA       LEU  65   8.806   0.471  -0.294
  468   1HB   LEU  65          2HB       LEU  65   7.510  -1.039   1.888
  469   2HB   LEU  65          1HB       LEU  65   8.313   0.472   2.196
  470    HG   LEU  65           HG       LEU  65   5.912   0.018   0.417
  471   1HD1  LEU  65          1HD1      LEU  65   5.428  -0.031   2.796
  472   2HD1  LEU  65          2HD1      LEU  65   4.798   1.438   2.046
  473   3HD1  LEU  65          3HD1      LEU  65   6.250   1.510   3.021
  474   1HD2  LEU  65          1HD2      LEU  65   7.297   1.743  -0.535
  475   2HD2  LEU  65          2HD2      LEU  65   7.487   2.415   1.082
  476   3HD2  LEU  65          3HD2      LEU  65   5.903   2.499   0.293
  477    H    GLY  66           H        GLY  66   9.589  -2.463   1.460
  478   1HA   GLY  66          2HA       GLY  66  11.928  -1.353   2.581
  479   2HA   GLY  66          1HA       GLY  66  11.579  -3.065   2.487
  480    H    LYS  67           H        LYS  67  11.258  -2.741  -0.490
  481    HA   LYS  67           HA       LYS  67  14.096  -3.063  -1.122
  482   1HB   LYS  67          2HB       LYS  67  11.667  -3.652  -2.796
  483   2HB   LYS  67          1HB       LYS  67  13.312  -4.127  -3.159
  484   1HG   LYS  67          2HG       LYS  67  11.673  -5.041  -0.837
  485   2HG   LYS  67          1HG       LYS  67  11.913  -6.005  -2.271
  486   1HD   LYS  67          2HD       LYS  67  13.962  -5.145  -0.188
  487   2HD   LYS  67          1HD       LYS  67  13.401  -6.777  -0.535
  488   1HE   LYS  67          2HE       LYS  67  14.450  -6.668  -2.730
  489   2HE   LYS  67          1HE       LYS  67  14.994  -5.033  -2.352
  490   1HZ   LYS  67          1HZ       LYS  67  16.772  -6.637  -1.935
  491   2HZ   LYS  67          2HZ       LYS  67  15.773  -7.484  -0.886
  492   3HZ   LYS  67          3HZ       LYS  67  16.263  -5.922  -0.478
  493    H    MET  68           H        MET  68  11.593  -0.778  -1.458
  494    HA   MET  68           HA       MET  68  11.202   1.079  -2.685
  495   1HB   MET  68          2HB       MET  68  14.173   0.946  -3.345
  496   2HB   MET  68          1HB       MET  68  13.138   2.351  -3.561
  497   1HG   MET  68          2HG       MET  68  12.749   2.322  -1.076
  498   2HG   MET  68          1HG       MET  68  13.949   1.057  -0.986
  499   1HE   MET  68          1HE       MET  68  14.042   4.204  -3.392
  500   2HE   MET  68          2HE       MET  68  14.939   5.347  -2.391
  501   3HE   MET  68          3HE       MET  68  13.328   4.826  -1.903
  502    H    SER  69           H        SER  69  10.723  -1.356  -3.731
  503    HA   SER  69           HA       SER  69  11.674  -1.516  -6.512
  504   1HB   SER  69          2HB       SER  69  11.939  -3.492  -5.213
  505   2HB   SER  69          1HB       SER  69  10.239  -3.479  -4.716
  506    HG   SER  69           HG       SER  69  10.830  -4.921  -6.432
  507    H    LYS  70           H        LYS  70  10.591  -1.606  -8.146
  508    HA   LYS  70           HA       LYS  70   7.819  -0.647  -8.062
  509   1HB   LYS  70          2HB       LYS  70  10.034  -0.207 -10.010
  510   2HB   LYS  70          1HB       LYS  70   8.375   0.339 -10.221
  511   1HG   LYS  70          2HG       LYS  70   8.490   1.835  -8.477
  512   2HG   LYS  70          1HG       LYS  70   9.915   1.022  -7.801
  513   1HD   LYS  70          2HD       LYS  70  11.299   1.835  -9.384
  514   2HD   LYS  70          1HD       LYS  70   9.985   2.140 -10.508
  515   1HE   LYS  70          2HE       LYS  70   9.253   4.025  -9.019
  516   2HE   LYS  70          1HE       LYS  70  10.611   3.658  -7.956
  517   1HZ   LYS  70          1HZ       LYS  70  11.027   5.537  -9.457
  518   2HZ   LYS  70          2HZ       LYS  70  10.886   4.519 -10.789
  519   3HZ   LYS  70          3HZ       LYS  70  12.130   4.284  -9.683
  520    H    ASN  71           H        ASN  71   9.820  -3.161  -8.781
  521    HA   ASN  71           HA       ASN  71   8.162  -4.156 -10.894
  522   1HB   ASN  71          2HB       ASN  71   9.415  -6.368 -10.633
  523   2HB   ASN  71          1HB       ASN  71  10.420  -4.999 -11.065
  524   1HD2  ASN  71          1HD2      ASN  71   9.565  -7.246  -8.534
  525   2HD2  ASN  71          2HD2      ASN  71  10.912  -6.908  -7.519
  526    H    GLU  72           H        GLU  72   6.473  -5.332 -10.766
  527    HA   GLU  72           HA       GLU  72   4.879  -5.117  -8.490
  528   1HB   GLU  72          2HB       GLU  72   4.477  -6.942 -10.847
  529   2HB   GLU  72          1HB       GLU  72   3.236  -6.408  -9.722
  530   1HG   GLU  72          2HG       GLU  72   3.550  -4.105 -10.420
  531   2HG   GLU  72          1HG       GLU  72   4.832  -4.599 -11.518
  532    H    GLU  73           H        GLU  73   7.092  -7.497  -9.309
  533    HA   GLU  73           HA       GLU  73   6.129  -9.767  -7.977
  534   1HB   GLU  73          2HB       GLU  73   9.000  -8.942  -8.211
  535   2HB   GLU  73          1HB       GLU  73   8.372 -10.565  -7.997
  536   1HG   GLU  73          2HG       GLU  73   7.296 -10.398 -10.211
  537   2HG   GLU  73          1HG       GLU  73   8.054  -8.820 -10.414
  538    H    ASP  74           H        ASP  74   7.909  -6.930  -6.741
  539    HA   ASP  74           HA       ASP  74   8.085  -8.203  -4.129
  540   1HB   ASP  74          2HB       ASP  74   9.207  -5.574  -5.095
  541   2HB   ASP  74          1HB       ASP  74   9.340  -6.130  -3.435
  542    H    VAL  75           H        VAL  75   6.093  -6.094  -5.805
  543    HA   VAL  75           HA       VAL  75   5.057  -4.746  -3.474
  544    HB   VAL  75           HB       VAL  75   3.661  -5.043  -6.152
  545   1HG1  VAL  75          1HG1      VAL  75   2.342  -4.009  -4.374
  546   2HG1  VAL  75          2HG1      VAL  75   2.768  -2.833  -5.641
  547   3HG1  VAL  75          3HG1      VAL  75   3.634  -2.828  -4.122
  548   1HG2  VAL  75          1HG2      VAL  75   5.933  -4.307  -6.644
  549   2HG2  VAL  75          2HG2      VAL  75   5.766  -2.987  -5.483
  550   3HG2  VAL  75          3HG2      VAL  75   4.768  -3.015  -6.937
  551    H    SER  76           H        SER  76   4.167  -6.005  -2.000
  552    HA   SER  76           HA       SER  76   2.237  -8.016  -2.707
  553   1HB   SER  76          2HB       SER  76   4.378  -9.136  -3.115
  554   2HB   SER  76          1HB       SER  76   4.956  -8.646  -1.533
  555    HG   SER  76           HG       SER  76   3.305 -10.725  -2.256
  556    HA   PRO  77           HA       PRO  77   0.787  -6.792   1.395
  557   1HB   PRO  77          2HB       PRO  77  -0.750  -8.952   1.946
  558   2HB   PRO  77          1HB       PRO  77  -1.213  -7.748   0.740
  559   1HG   PRO  77          2HG       PRO  77   0.120 -10.403   0.341
  560   2HG   PRO  77          1HG       PRO  77  -1.264  -9.714  -0.531
  561   1HD   PRO  77          2HD       PRO  77   1.209  -9.653  -1.543
  562   2HD   PRO  77          1HD       PRO  77   0.077  -8.307  -1.782
  563    H    SER  78           H        SER  78   3.385  -7.841   1.460
  564    HA   SER  78           HA       SER  78   3.558  -8.679   4.149
  565   1HB   SER  78          2HB       SER  78   2.924 -10.876   3.077
  566   2HB   SER  78          1HB       SER  78   4.356 -10.687   2.060
  567    HG   SER  78           HG       SER  78   4.167 -11.265   4.782
  568    H    LEU  79           H        LEU  79   5.839  -8.941   4.724
  569    HA   LEU  79           HA       LEU  79   7.510  -7.537   2.860
  570   1HB   LEU  79          2HB       LEU  79   9.018  -7.249   5.050
  571   2HB   LEU  79          1HB       LEU  79   7.752  -6.124   4.626
  572    HG   LEU  79           HG       LEU  79   7.368  -8.367   6.637
  573   1HD1  LEU  79          1HD1      LEU  79   9.156  -6.807   7.368
  574   2HD1  LEU  79          2HD1      LEU  79   7.676  -6.620   8.318
  575   3HD1  LEU  79          3HD1      LEU  79   8.061  -5.457   7.056
  576   1HD2  LEU  79          1HD2      LEU  79   5.911  -5.800   6.082
  577   2HD2  LEU  79          2HD2      LEU  79   5.438  -7.010   7.299
  578   3HD2  LEU  79          3HD2      LEU  79   5.377  -7.390   5.562
  579    H    GLU  80           H        GLU  80   6.796 -10.412   3.322
  580    HA   GLU  80           HA       GLU  80   7.600 -12.315   2.726
  581   1HB   GLU  80          2HB       GLU  80   8.293 -11.117   0.802
  582   2HB   GLU  80          1HB       GLU  80   9.822 -10.694   1.543
  583   1HG   GLU  80          2HG       GLU  80  10.170 -12.480  -0.028
  584   2HG   GLU  80          1HG       GLU  80  10.396 -12.979   1.666
  585    H    GLY  81           H        GLY  81  10.895 -11.220   3.031
  586   1HA   GLY  81          2HA       GLY  81  11.086 -12.374   5.564
  587   2HA   GLY  81          1HA       GLY  81  11.935 -13.310   4.327
  588    H    LEU  82           H        LEU  82  11.491  -9.862   4.514
  589    HA   LEU  82           HA       LEU  82  14.101  -9.189   3.898
  590   1HB   LEU  82          2HB       LEU  82  11.814  -7.681   5.118
  591   2HB   LEU  82          1HB       LEU  82  13.292  -6.927   4.543
  592    HG   LEU  82           HG       LEU  82  11.524  -8.584   2.752
  593   1HD1  LEU  82          1HD1      LEU  82  10.263  -6.698   3.566
  594   2HD1  LEU  82          2HD1      LEU  82  10.709  -6.543   1.870
  595   3HD1  LEU  82          3HD1      LEU  82  11.581  -5.589   3.099
  596   1HD2  LEU  82          1HD2      LEU  82  13.499  -6.489   2.253
  597   2HD2  LEU  82          2HD2      LEU  82  12.736  -7.557   1.034
  598   3HD2  LEU  82          3HD2      LEU  82  13.910  -8.194   2.218
  599    H    THR  83           H        THR  83  15.765  -8.639   5.113
  600    HA   THR  83           HA       THR  83  15.656  -9.341   7.884
  601    HB   THR  83           HB       THR  83  17.627  -9.984   6.471
  602    HG1  THR  83           1HG      THR  83  18.174  -9.932   8.537
  603   1HG2  THR  83          1HG2      THR  83  18.193  -7.018   6.449
  604   2HG2  THR  83          2HG2      THR  83  17.732  -7.988   5.051
  605   3HG2  THR  83          3HG2      THR  83  19.277  -8.275   5.856
  606    H    GLU  84           H        GLU  84  16.978  -7.651   9.339
  607    HA   GLU  84           HA       GLU  84  15.264  -5.521   9.785
  608   1HB   GLU  84          2HB       GLU  84  16.801  -6.424  11.485
  609   2HB   GLU  84          1HB       GLU  84  18.155  -5.688  10.644
  610   1HG   GLU  84          2HG       GLU  84  17.208  -3.481  11.039
  611   2HG   GLU  84          1HG       GLU  84  15.849  -4.210  11.873
  612    H    LYS  85           H        LYS  85  18.339  -5.495   8.060
  613    HA   LYS  85           HA       LYS  85  18.778  -2.814   7.482
  614   1HB   LYS  85          2HB       LYS  85  20.270  -4.629   6.799
  615   2HB   LYS  85          1HB       LYS  85  19.061  -5.205   5.672
  616   1HG   LYS  85          2HG       LYS  85  19.240  -2.938   4.540
  617   2HG   LYS  85          1HG       LYS  85  20.702  -2.699   5.500
  618   1HD   LYS  85          2HD       LYS  85  20.136  -4.967   3.631
  619   2HD   LYS  85          1HD       LYS  85  21.188  -3.597   3.259
  620   1HE   LYS  85          2HE       LYS  85  22.681  -4.233   5.112
  621   2HE   LYS  85          1HE       LYS  85  21.638  -5.604   5.483
  622   1HZ   LYS  85          1HZ       LYS  85  22.167  -6.540   3.308
  623   2HZ   LYS  85          2HZ       LYS  85  23.557  -6.278   4.201
  624   3HZ   LYS  85          3HZ       LYS  85  23.153  -5.216   2.959
  625    H    GLU  86           H        GLU  86  16.968  -5.166   5.626
  626    HA   GLU  86           HA       GLU  86  16.128  -3.499   3.536
  627   1HB   GLU  86          2HB       GLU  86  15.174  -6.060   4.652
  628   2HB   GLU  86          1HB       GLU  86  14.544  -5.376   3.176
  629   1HG   GLU  86          2HG       GLU  86  17.352  -6.339   3.766
  630   2HG   GLU  86          1HG       GLU  86  16.194  -7.096   2.674
  631    H    ILE  87           H        ILE  87  14.525  -4.837   6.333
  632    HA   ILE  87           HA       ILE  87  12.013  -3.837   5.893
  633    HB   ILE  87           HB       ILE  87  13.503  -4.685   8.282
  634   1HG1  ILE  87          2HG1      ILE  87  11.235  -5.963   6.780
  635   2HG1  ILE  87          1HG1      ILE  87  12.927  -6.415   6.739
  636   1HG2  ILE  87          1HG2      ILE  87  11.337  -4.729   9.554
  637   2HG2  ILE  87          2HG2      ILE  87  10.596  -3.940   8.145
  638   3HG2  ILE  87          3HG2      ILE  87  11.830  -3.087   9.084
  639   1HD1  ILE  87          1HD1      ILE  87  12.827  -7.047   9.093
  640   2HD1  ILE  87          2HD1      ILE  87  11.655  -7.950   8.130
  641   3HD1  ILE  87          3HD1      ILE  87  11.123  -6.604   9.145
  642    H    ASN  88           H        ASN  88  14.794  -2.354   7.509
  643    HA   ASN  88           HA       ASN  88  13.754  -0.150   8.841
  644   1HB   ASN  88          2HB       ASN  88  16.253  -0.362   7.199
  645   2HB   ASN  88          1HB       ASN  88  15.870   1.084   8.103
  646   1HD2  ASN  88          1HD2      ASN  88  18.134  -0.694   8.345
  647   2HD2  ASN  88          2HD2      ASN  88  18.104  -1.328   9.957
  648    H    THR  89           H        THR  89  14.360  -0.553   5.449
  649    HA   THR  89           HA       THR  89  13.950   2.075   4.636
  650    HB   THR  89           HB       THR  89  13.663  -0.545   3.197
  651    HG1  THR  89           1HG      THR  89  15.770   1.064   3.998
  652   1HG2  THR  89          1HG2      THR  89  14.044   2.248   2.176
  653   2HG2  THR  89          2HG2      THR  89  12.580   1.233   2.035
  654   3HG2  THR  89          3HG2      THR  89  14.062   0.766   1.189
  655    H    LEU  90           H        LEU  90  11.733  -0.656   4.930
  656    HA   LEU  90           HA       LEU  90   9.510   0.727   3.740
  657   1HB   LEU  90          2HB       LEU  90   8.965  -1.369   3.482
  658   2HB   LEU  90          1HB       LEU  90  10.095  -1.963   4.634
  659    HG   LEU  90           HG       LEU  90   8.153  -1.004   6.239
  660   1HD1  LEU  90          1HD1      LEU  90   6.684  -1.742   3.782
  661   2HD1  LEU  90          2HD1      LEU  90   6.772  -0.167   4.577
  662   3HD1  LEU  90          3HD1      LEU  90   5.978  -1.522   5.384
  663   1HD2  LEU  90          1HD2      LEU  90   8.142  -3.666   4.896
  664   2HD2  LEU  90          2HD2      LEU  90   7.277  -3.251   6.397
  665   3HD2  LEU  90          3HD2      LEU  90   9.058  -3.204   6.337
  666    H    ASN  91           H        ASN  91  10.712  -0.032   6.888
  667    HA   ASN  91           HA       ASN  91   8.613   0.926   8.442
  668   1HB   ASN  91          2HB       ASN  91  11.534   0.576   8.868
  669   2HB   ASN  91          1HB       ASN  91  10.581   1.363  10.100
  670   1HD2  ASN  91          1HD2      ASN  91   9.224  -1.161   8.120
  671   2HD2  ASN  91          2HD2      ASN  91   9.185  -2.385   9.329
  672    H    ASP  92           H        ASP  92  11.384   2.566   7.072
  673    HA   ASP  92           HA       ASP  92  10.863   5.170   7.986
  674   1HB   ASP  92          2HB       ASP  92  12.945   4.594   6.928
  675   2HB   ASP  92          1HB       ASP  92  12.122   4.140   5.444
  676    H    TRP  93           H        TRP  93   9.946   3.507   5.020
  677    HA   TRP  93           HA       TRP  93   8.351   5.474   3.867
  678   1HB   TRP  93          2HB       TRP  93   8.499   2.565   3.630
  679   2HB   TRP  93          1HB       TRP  93   7.205   3.360   2.783
  680    HD1  TRP  93           HD       TRP  93  10.540   2.139   2.200
  681    HE1  TRP  93           1HE      TRP  93  11.738   3.327   0.275
  682    HE3  TRP  93           3HE      TRP  93   7.475   6.196   1.729
  683    HZ2  TRP  93           2HZ      TRP  93  11.432   5.683  -1.260
  684    HZ3  TRP  93           3HZ      TRP  93   7.997   7.871   0.008
  685    HH2  TRP  93           HH       TRP  93   9.936   7.616  -1.455
  686    H    GLU  94           H        GLU  94   7.373   3.067   6.183
  687    HA   GLU  94           HA       GLU  94   4.632   3.462   6.172
  688   1HB   GLU  94          2HB       GLU  94   6.439   3.155   8.552
  689   2HB   GLU  94          1HB       GLU  94   4.696   2.987   8.605
  690   1HG   GLU  94          2HG       GLU  94   4.851   1.101   7.108
  691   2HG   GLU  94          1HG       GLU  94   6.612   1.216   7.080
  692    H    THR  95           H        THR  95   7.050   5.165   7.930
  693    HA   THR  95           HA       THR  95   5.531   7.098   9.284
  694    HB   THR  95           HB       THR  95   8.376   7.239   8.338
  695    HG1  THR  95           1HG      THR  95   7.002   5.760  10.223
  696   1HG2  THR  95          1HG2      THR  95   8.709   8.652  10.366
  697   2HG2  THR  95          2HG2      THR  95   6.978   8.558  10.699
  698   3HG2  THR  95          3HG2      THR  95   7.554   9.377   9.246
  699    H    LYS  96           H        LYS  96   6.803   6.997   6.048
  700    HA   LYS  96           HA       LYS  96   6.763   9.831   5.607
  701   1HB   LYS  96          2HB       LYS  96   7.066   7.485   3.726
  702   2HB   LYS  96          1HB       LYS  96   7.299   9.171   3.270
  703   1HG   LYS  96          2HG       LYS  96   8.814   7.850   5.466
  704   2HG   LYS  96          1HG       LYS  96   9.459   7.828   3.854
  705   1HD   LYS  96          2HD       LYS  96   9.343  10.350   3.897
  706   2HD   LYS  96          1HD       LYS  96   8.822  10.235   5.576
  707   1HE   LYS  96          2HE       LYS  96  11.221  10.701   5.433
  708   2HE   LYS  96          1HE       LYS  96  10.910   9.122   6.150
  709   1HZ   LYS  96          1HZ       LYS  96  12.738   9.191   4.523
  710   2HZ   LYS  96          2HZ       LYS  96  11.631   9.465   3.276
  711   3HZ   LYS  96          3HZ       LYS  96  11.573   8.050   4.209
  712    H    PHE  97           H        PHE  97   4.895   7.056   4.734
  713    HA   PHE  97           HA       PHE  97   2.816   8.492   3.469
  714   1HB   PHE  97          2HB       PHE  97   3.162   5.753   4.542
  715   2HB   PHE  97          1HB       PHE  97   1.593   6.268   3.988
  716    HD1  PHE  97           1HD      PHE  97   5.119   5.751   2.933
  717    HD2  PHE  97           2HD      PHE  97   1.088   6.256   1.673
  718    HE1  PHE  97           1HE      PHE  97   5.760   5.115   0.648
  719    HE2  PHE  97           2HE      PHE  97   1.722   5.623  -0.614
  720    HZ   PHE  97           HZ       PHE  97   4.061   5.050  -1.130
  721    H    GLU  98           H        GLU  98   3.268   7.142   6.710
  722    HA   GLU  98           HA       GLU  98   0.820   7.750   7.864
  723   1HB   GLU  98          2HB       GLU  98   3.537   7.242   8.783
  724   2HB   GLU  98          1HB       GLU  98   2.552   7.879  10.041
  725   1HG   GLU  98          2HG       GLU  98   2.137   5.344   8.435
  726   2HG   GLU  98          1HG       GLU  98   2.587   5.455  10.131
  727    H    ALA  99           H        ALA  99   3.414   9.971   7.126
  728    HA   ALA  99           HA       ALA  99   2.209  12.018   8.823
  729   1HB   ALA  99          1HB       ALA  99   4.689  12.033   7.160
  730   2HB   ALA  99          2HB       ALA  99   4.646  11.704   8.903
  731   3HB   ALA  99          3HB       ALA  99   4.191  13.302   8.271
  732    H    LYS 100           H        LYS 100   1.488  10.841   5.882
  733    HA   LYS 100           HA       LYS 100   1.268  13.538   4.713
  734   1HB   LYS 100          2HB       LYS 100   3.178  11.943   3.935
  735   2HB   LYS 100          1HB       LYS 100   1.881  11.115   3.102
  736   1HG   LYS 100          2HG       LYS 100   2.737  12.509   1.486
  737   2HG   LYS 100          1HG       LYS 100   1.348  13.406   2.129
  738   1HD   LYS 100          2HD       LYS 100   4.128  13.770   3.112
  739   2HD   LYS 100          1HD       LYS 100   3.522  14.758   1.762
  740   1HE   LYS 100          2HE       LYS 100   1.723  15.529   3.453
  741   2HE   LYS 100          1HE       LYS 100   2.683  14.672   4.667
  742   1HZ   LYS 100          1HZ       LYS 100   3.194  16.998   4.618
  743   2HZ   LYS 100          2HZ       LYS 100   3.660  16.912   3.010
  744   3HZ   LYS 100          3HZ       LYS 100   4.545  16.084   4.195
  745    H    TYR 101           H        TYR 101   0.208  10.188   4.688
  746    HA   TYR 101           HA       TYR 101  -2.399  11.063   3.673
  747   1HB   TYR 101          2HB       TYR 101  -0.980   8.449   3.150
  748   2HB   TYR 101          1HB       TYR 101  -2.542   8.950   2.516
  749    HD1  TYR 101           1HD      TYR 101   0.965   8.844   1.952
  750    HD2  TYR 101           2HD      TYR 101  -2.539  11.046   0.960
  751    HE1  TYR 101           1HE      TYR 101   2.116   9.784   0.003
  752    HE2  TYR 101           2HE      TYR 101  -1.390  11.990  -1.001
  753    HH   TYR 101           HH       TYR 101   0.980  12.426  -1.702
  754    HA   PRO 102           HA       PRO 102  -3.653   8.988   7.408
  755   1HB   PRO 102          2HB       PRO 102  -6.291   9.238   7.142
  756   2HB   PRO 102          1HB       PRO 102  -5.277  10.658   7.442
  757   1HG   PRO 102          2HG       PRO 102  -6.460   9.679   4.875
  758   2HG   PRO 102          1HG       PRO 102  -6.356  11.333   5.494
  759   1HD   PRO 102          2HD       PRO 102  -4.599  10.296   3.648
  760   2HD   PRO 102          1HD       PRO 102  -4.214  11.600   4.798
  761    H    VAL 103           H        VAL 103  -4.022   6.935   7.859
  762    HA   VAL 103           HA       VAL 103  -4.826   5.173   5.754
  763    HB   VAL 103           HB       VAL 103  -4.696   3.255   7.366
  764   1HG1  VAL 103          1HG1      VAL 103  -2.825   3.792   6.049
  765   2HG1  VAL 103          2HG1      VAL 103  -2.227   3.430   7.683
  766   3HG1  VAL 103          3HG1      VAL 103  -2.374   5.087   7.133
  767   1HG2  VAL 103          1HG2      VAL 103  -5.168   4.432   9.492
  768   2HG2  VAL 103          2HG2      VAL 103  -3.600   5.273   9.326
  769   3HG2  VAL 103          3HG2      VAL 103  -3.655   3.520   9.480
  770    H    VAL 104           H        VAL 104  -6.614   4.977   5.080
  771    HA   VAL 104           HA       VAL 104  -8.913   5.495   6.858
  772    HB   VAL 104           HB       VAL 104 -10.225   6.043   4.851
  773   1HG1  VAL 104          1HG1      VAL 104  -9.054   7.844   5.987
  774   2HG1  VAL 104          2HG1      VAL 104  -9.081   8.136   4.248
  775   3HG1  VAL 104          3HG1      VAL 104  -7.614   7.536   5.019
  776   1HG2  VAL 104          1HG2      VAL 104  -9.137   6.272   2.669
  777   2HG2  VAL 104          2HG2      VAL 104  -9.090   4.601   3.236
  778   3HG2  VAL 104          3HG2      VAL 104  -7.646   5.610   3.338
  779    H    GLY 105           H        GLY 105  -7.307   2.942   5.707
  780   1HA   GLY 105          2HA       GLY 105  -9.617   1.232   5.932
  781   2HA   GLY 105          1HA       GLY 105  -8.894   1.304   4.346
  782    H    ARG 106           H        ARG 106  -8.788  -0.999   5.001
  783    HA   ARG 106           HA       ARG 106  -6.071  -1.519   5.972
  784   1HB   ARG 106          2HB       ARG 106  -6.799  -3.612   6.967
  785   2HB   ARG 106          1HB       ARG 106  -7.572  -2.313   7.804
  786   1HG   ARG 106          2HG       ARG 106  -9.639  -2.739   6.765
  787   2HG   ARG 106          1HG       ARG 106  -8.877  -3.888   5.650
  788   1HD   ARG 106          2HD       ARG 106 -10.003  -5.026   7.485
  789   2HD   ARG 106          1HD       ARG 106  -8.237  -5.264   7.389
  790    HE   ARG 106           HE       ARG 106  -9.209  -3.175   9.152
  791   1HH1  ARG 106          1HH1      ARG 106  -8.137  -6.561   8.992
  792   2HH1  ARG 106          2HH1      ARG 106  -7.648  -6.655  10.606
  793   1HH2  ARG 106          1HH2      ARG 106  -8.567  -3.311  11.421
  794   2HH2  ARG 106          2HH2      ARG 106  -7.911  -4.753  12.043
  795    H    VAL 107           H        VAL 107  -5.186  -3.309   5.036
  796    HA   VAL 107           HA       VAL 107  -6.816  -4.453   2.939
  797    HB   VAL 107           HB       VAL 107  -4.662  -3.427   2.095
  798   1HG1  VAL 107          1HG1      VAL 107  -2.610  -4.705   2.436
  799   2HG1  VAL 107          2HG1      VAL 107  -3.438  -5.601   3.726
  800   3HG1  VAL 107          3HG1      VAL 107  -3.229  -3.830   3.833
  801   1HG2  VAL 107          1HG2      VAL 107  -5.048  -6.336   1.887
  802   2HG2  VAL 107          2HG2      VAL 107  -4.118  -5.378   0.696
  803   3HG2  VAL 107          3HG2      VAL 107  -5.878  -5.127   0.929
  804    H    VAL 108           H        VAL 108  -7.175  -6.477   2.976
  805    HA   VAL 108           HA       VAL 108  -6.057  -8.006   5.174
  806    HB   VAL 108           HB       VAL 108  -8.274  -9.229   5.217
  807   1HG1  VAL 108          1HG1      VAL 108  -7.694  -7.329   6.669
  808   2HG1  VAL 108          2HG1      VAL 108  -9.459  -7.304   6.213
  809   3HG1  VAL 108          3HG1      VAL 108  -8.301  -6.288   5.377
  810   1HG2  VAL 108          1HG2      VAL 108 -10.160  -8.205   4.164
  811   2HG2  VAL 108          2HG2      VAL 108  -8.945  -8.478   2.867
  812   3HG2  VAL 108          3HG2      VAL 108  -9.119  -6.891   3.681
  813    H    SER 109           H        SER 109  -5.247  -9.922   4.679
  814    HA   SER 109           HA       SER 109  -5.723 -10.959   2.057
  815   1HB   SER 109          2HB       SER 109  -3.933  -9.411   1.726
  816   2HB   SER 109          1HB       SER 109  -3.088 -10.027   3.140
  817    HG   SER 109           HG       SER 109  -3.717 -11.734   0.976
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1 -15.059  -4.671  -9.009
    2   2H    MET   1          2HT       MET   1 -16.727  -4.507  -9.057
    3   3H    MET   1          3HT       MET   1 -16.024  -5.883  -9.674
    4    HA   MET   1           HA       MET   1 -17.071  -6.330  -7.576
    5   1HB   MET   1          2HB       MET   1 -14.057  -6.341  -7.382
    6   2HB   MET   1          1HB       MET   1 -15.123  -7.192  -6.282
    7   1HG   MET   1          2HG       MET   1 -15.919  -8.569  -8.131
    8   2HG   MET   1          1HG       MET   1 -14.842  -7.706  -9.232
    9   1HE   MET   1          1HE       MET   1 -13.837 -10.061  -9.988
   10   2HE   MET   1          2HE       MET   1 -14.882 -10.908  -8.846
   11   3HE   MET   1          3HE       MET   1 -13.151 -11.240  -8.871
   12    H    GLY   2           H        GLY   2 -14.707  -3.675  -7.367
   13   1HA   GLY   2          2HA       GLY   2 -15.427  -3.294  -4.603
   14   2HA   GLY   2          1HA       GLY   2 -14.138  -2.481  -5.478
   15    H    HIS   3           H        HIS   3 -16.589  -1.684  -3.820
   16    HA   HIS   3           HA       HIS   3 -17.019   0.770  -5.175
   17   1HB   HIS   3          2HB       HIS   3 -18.729  -0.719  -6.313
   18   2HB   HIS   3          1HB       HIS   3 -19.450  -1.004  -4.734
   19    HD1  HIS   3           1HD      HIS   3 -21.142   0.738  -3.921
   20    HD2  HIS   3           2HD      HIS   3 -18.953   2.022  -7.213
   21    HE1  HIS   3           1HE      HIS   3 -22.230   2.859  -4.675
   22    HE2  HIS   3           2HE      HIS   3 -21.077   3.397  -6.843
   23    H    HIS   4           H        HIS   4 -17.387   2.282  -3.622
   24    HA   HIS   4           HA       HIS   4 -17.473   1.307  -0.889
   25   1HB   HIS   4          2HB       HIS   4 -17.041   4.084  -1.978
   26   2HB   HIS   4          1HB       HIS   4 -17.152   3.712  -0.267
   27    HD1  HIS   4           1HD      HIS   4 -15.125   2.519   0.824
   28    HD2  HIS   4           2HD      HIS   4 -14.668   3.377  -3.223
   29    HE1  HIS   4           1HE      HIS   4 -12.718   2.215   0.340
   30    HE2  HIS   4           2HE      HIS   4 -12.504   3.334  -1.840
   31    H    HIS   5           H        HIS   5 -18.861   2.137   0.656
   32    HA   HIS   5           HA       HIS   5 -21.191   3.625  -0.297
   33   1HB   HIS   5          2HB       HIS   5 -21.581   1.059   0.012
   34   2HB   HIS   5          1HB       HIS   5 -21.463   1.403   1.733
   35    HD1  HIS   5           1HD      HIS   5 -23.619   2.258   2.860
   36    HD2  HIS   5           2HD      HIS   5 -23.747   2.404  -1.288
   37    HE1  HIS   5           1HE      HIS   5 -25.943   2.881   2.291
   38    HE2  HIS   5           2HE      HIS   5 -26.060   2.625  -0.205
   39    H    HIS   6           H        HIS   6 -18.537   3.386   1.550
   40    HA   HIS   6           HA       HIS   6 -19.182   5.479   3.382
   41   1HB   HIS   6          2HB       HIS   6 -18.239   2.741   4.310
   42   2HB   HIS   6          1HB       HIS   6 -18.098   4.186   5.279
   43    HD1  HIS   6           1HD      HIS   6 -20.127   1.338   4.870
   44    HD2  HIS   6           2HD      HIS   6 -20.847   5.314   5.756
   45    HE1  HIS   6           1HE      HIS   6 -22.395   1.394   5.953
   46    HE2  HIS   6           2HE      HIS   6 -22.577   3.733   6.794
   47    H    HIS   7           H        HIS   7 -16.977   5.779   4.635
   48    HA   HIS   7           HA       HIS   7 -14.645   4.766   3.390
   49   1HB   HIS   7          2HB       HIS   7 -15.258   6.622   1.790
   50   2HB   HIS   7          1HB       HIS   7 -15.170   7.758   3.124
   51    HD1  HIS   7           1HD      HIS   7 -12.908   8.853   3.466
   52    HD2  HIS   7           2HD      HIS   7 -12.646   5.375   1.193
   53    HE1  HIS   7           1HE      HIS   7 -10.574   8.772   2.640
   54    HE2  HIS   7           2HE      HIS   7 -10.580   6.972   0.964
   55    H    HIS   8           H        HIS   8 -14.425   4.047   5.473
   56    HA   HIS   8           HA       HIS   8 -13.438   6.071   7.358
   57   1HB   HIS   8          2HB       HIS   8 -15.793   5.707   7.951
   58   2HB   HIS   8          1HB       HIS   8 -15.513   3.979   8.053
   59    HD1  HIS   8           1HD      HIS   8 -15.386   3.232  10.428
   60    HD2  HIS   8           2HD      HIS   8 -13.894   7.082   9.935
   61    HE1  HIS   8           1HE      HIS   8 -14.764   4.017  12.722
   62    HE2  HIS   8           2HE      HIS   8 -14.064   6.419  12.408
   63    H    LEU   9           H        LEU   9 -14.092   2.565   7.304
   64    HA   LEU   9           HA       LEU   9 -11.240   2.028   7.449
   65   1HB   LEU   9          2HB       LEU   9 -12.275   2.006   9.800
   66   2HB   LEU   9          1HB       LEU   9 -13.228   0.634   9.272
   67    HG   LEU   9           HG       LEU   9 -11.410  -0.132  10.649
   68   1HD1  LEU   9          1HD1      LEU   9 -10.805  -0.842   7.801
   69   2HD1  LEU   9          2HD1      LEU   9 -11.938  -1.651   8.880
   70   3HD1  LEU   9          3HD1      LEU   9 -10.208  -1.695   9.224
   71   1HD2  LEU   9          1HD2      LEU   9  -9.558   1.362   8.798
   72   2HD2  LEU   9          2HD2      LEU   9  -9.039   0.224  10.034
   73   3HD2  LEU   9          3HD2      LEU   9  -9.888   1.697  10.497
   74    H    GLU  10           H        GLU  10 -11.376   1.384   5.457
   75    HA   GLU  10           HA       GLU  10 -13.545  -0.295   4.543
   76   1HB   GLU  10          2HB       GLU  10 -11.207   0.809   3.031
   77   2HB   GLU  10          1HB       GLU  10 -12.716   0.198   2.373
   78   1HG   GLU  10          2HG       GLU  10 -12.355   2.707   4.002
   79   2HG   GLU  10          1HG       GLU  10 -12.644   2.590   2.271
   80    H    GLU  11           H        GLU  11 -13.301  -2.451   4.527
   81    HA   GLU  11           HA       GLU  11 -10.705  -3.591   4.663
   82   1HB   GLU  11          2HB       GLU  11 -12.348  -4.719   5.925
   83   2HB   GLU  11          1HB       GLU  11 -13.447  -4.797   4.545
   84   1HG   GLU  11          2HG       GLU  11 -12.072  -6.245   3.402
   85   2HG   GLU  11          1HG       GLU  11 -10.749  -6.138   4.502
   86    H    PHE  12           H        PHE  12  -9.549  -3.972   3.024
   87    HA   PHE  12           HA       PHE  12 -10.823  -4.406   0.447
   88   1HB   PHE  12          2HB       PHE  12  -8.229  -3.232   1.242
   89   2HB   PHE  12          1HB       PHE  12  -8.657  -3.924  -0.312
   90    HD1  PHE  12           1HD      PHE  12  -8.870  -1.065   1.889
   91    HD2  PHE  12           2HD      PHE  12 -10.529  -2.793  -1.621
   92    HE1  PHE  12           1HE      PHE  12  -9.852   1.105   1.288
   93    HE2  PHE  12           2HE      PHE  12 -11.515  -0.627  -2.222
   94    HZ   PHE  12           HZ       PHE  12 -11.174   1.322  -0.772
   95    H    THR  13           H        THR  13 -10.484  -6.418  -0.344
   96    HA   THR  13           HA       THR  13  -8.435  -8.042   0.906
   97    HB   THR  13           HB       THR  13  -9.963  -8.800  -1.561
   98    HG1  THR  13           1HG      THR  13 -10.988  -9.350   1.043
   99   1HG2  THR  13          1HG2      THR  13  -9.005 -10.267   0.859
  100   2HG2  THR  13          2HG2      THR  13  -8.194 -10.181  -0.704
  101   3HG2  THR  13          3HG2      THR  13  -9.782 -10.998  -0.570
  102    H    ALA  14           H        ALA  14  -6.647  -8.931  -0.349
  103    HA   ALA  14           HA       ALA  14  -5.190  -6.987  -1.661
  104   1HB   ALA  14          1HB       ALA  14  -4.798  -9.953  -1.992
  105   2HB   ALA  14          2HB       ALA  14  -4.203  -8.987  -0.637
  106   3HB   ALA  14          3HB       ALA  14  -3.598  -8.690  -2.266
  107    H    GLU  15           H        GLU  15  -7.036  -9.585  -3.234
  108    HA   GLU  15           HA       GLU  15  -6.326  -8.896  -5.882
  109   1HB   GLU  15          2HB       GLU  15  -8.853 -10.264  -4.913
  110   2HB   GLU  15          1HB       GLU  15  -8.328 -10.185  -6.580
  111   1HG   GLU  15          2HG       GLU  15  -7.864 -12.367  -5.673
  112   2HG   GLU  15          1HG       GLU  15  -6.349 -11.537  -6.001
  113    H    GLN  16           H        GLN  16  -8.814  -7.821  -3.755
  114    HA   GLN  16           HA       GLN  16 -10.261  -6.305  -5.697
  115   1HB   GLN  16          2HB       GLN  16 -10.481  -6.608  -2.711
  116   2HB   GLN  16          1HB       GLN  16 -11.445  -5.423  -3.568
  117   1HG   GLN  16          2HG       GLN  16 -12.687  -7.512  -3.134
  118   2HG   GLN  16          1HG       GLN  16 -12.540  -7.180  -4.846
  119   1HE2  GLN  16          1HE2      GLN  16 -11.681  -9.301  -2.265
  120   2HE2  GLN  16          2HE2      GLN  16 -11.027 -10.554  -3.260
  121    H    LEU  17           H        LEU  17  -7.851  -5.621  -3.275
  122    HA   LEU  17           HA       LEU  17  -7.843  -2.806  -3.245
  123   1HB   LEU  17          2HB       LEU  17  -6.522  -4.593  -1.842
  124   2HB   LEU  17          1HB       LEU  17  -5.366  -4.539  -3.139
  125    HG   LEU  17           HG       LEU  17  -4.469  -3.190  -1.417
  126   1HD1  LEU  17          1HD1      LEU  17  -4.348  -0.974  -2.189
  127   2HD1  LEU  17          2HD1      LEU  17  -5.655  -1.316  -3.334
  128   3HD1  LEU  17          3HD1      LEU  17  -4.110  -2.195  -3.446
  129   1HD2  LEU  17          1HD2      LEU  17  -7.103  -1.807  -1.223
  130   2HD2  LEU  17          2HD2      LEU  17  -5.640  -1.372  -0.344
  131   3HD2  LEU  17          3HD2      LEU  17  -6.415  -2.935  -0.053
  132    H    SER  18           H        SER  18  -6.373  -5.220  -5.285
  133    HA   SER  18           HA       SER  18  -4.686  -3.636  -6.860
  134   1HB   SER  18          2HB       SER  18  -5.988  -6.284  -7.527
  135   2HB   SER  18          1HB       SER  18  -4.566  -5.587  -8.307
  136    HG   SER  18           HG       SER  18  -4.818  -6.553  -5.639
  137    H    GLN  19           H        GLN  19  -8.057  -3.753  -6.846
  138    HA   GLN  19           HA       GLN  19  -8.354  -3.129  -9.660
  139   1HB   GLN  19          2HB       GLN  19 -10.390  -3.346  -7.432
  140   2HB   GLN  19          1HB       GLN  19 -10.773  -3.116  -9.137
  141   1HG   GLN  19          2HG       GLN  19  -9.827  -5.259  -9.694
  142   2HG   GLN  19          1HG       GLN  19  -9.260  -5.480  -8.046
  143   1HE2  GLN  19          1HE2      GLN  19 -10.367  -7.365  -7.814
  144   2HE2  GLN  19          2HE2      GLN  19 -12.081  -7.467  -7.669
  145    H    TYR  20           H        TYR  20  -7.725  -1.512  -6.789
  146    HA   TYR  20           HA       TYR  20  -8.770   1.038  -7.788
  147   1HB   TYR  20          2HB       TYR  20  -7.865   0.141  -5.056
  148   2HB   TYR  20          1HB       TYR  20  -8.111   1.838  -5.459
  149    HD1  TYR  20           1HD      TYR  20 -10.319   2.706  -5.882
  150    HD2  TYR  20           2HD      TYR  20  -9.789  -1.376  -4.809
  151    HE1  TYR  20           1HE      TYR  20 -12.705   2.544  -5.383
  152    HE2  TYR  20           2HE      TYR  20 -12.200  -1.550  -4.307
  153    HH   TYR  20           HH       TYR  20 -14.036  -0.006  -3.666
  154    H    ASN  21           H        ASN  21  -6.611  -0.305  -8.920
  155    HA   ASN  21           HA       ASN  21  -4.112   0.874  -8.190
  156   1HB   ASN  21          2HB       ASN  21  -3.289  -0.228 -10.212
  157   2HB   ASN  21          1HB       ASN  21  -4.240  -1.334  -9.229
  158   1HD2  ASN  21          1HD2      ASN  21  -3.616  -1.509 -12.004
  159   2HD2  ASN  21          2HD2      ASN  21  -5.096  -1.576 -12.873
  160    H    GLY  22           H        GLY  22  -6.774   1.919  -9.924
  161   1HA   GLY  22          2HA       GLY  22  -7.122   4.082 -10.787
  162   2HA   GLY  22          1HA       GLY  22  -5.389   4.353 -10.697
  163    H    THR  23           H        THR  23  -6.795   1.566 -12.338
  164    HA   THR  23           HA       THR  23  -5.665   2.588 -14.831
  165    HB   THR  23           HB       THR  23  -5.251   0.214 -14.155
  166    HG1  THR  23           1HG      THR  23  -6.325   1.006 -16.582
  167   1HG2  THR  23          1HG2      THR  23  -8.196  -0.137 -14.714
  168   2HG2  THR  23          2HG2      THR  23  -7.399  -0.299 -13.147
  169   3HG2  THR  23          3HG2      THR  23  -7.049  -1.448 -14.439
  170    H    ASP  24           H        ASP  24  -8.425   2.591 -13.175
  171    HA   ASP  24           HA       ASP  24 -10.123   2.735 -15.443
  172   1HB   ASP  24          2HB       ASP  24 -10.656   3.152 -12.501
  173   2HB   ASP  24          1HB       ASP  24 -11.911   3.272 -13.711
  174    H    GLU  25           H        GLU  25 -11.698   5.033 -14.985
  175    HA   GLU  25           HA       GLU  25  -9.675   7.010 -15.243
  176   1HB   GLU  25          2HB       GLU  25 -12.668   7.248 -15.430
  177   2HB   GLU  25          1HB       GLU  25 -11.561   8.591 -15.662
  178   1HG   GLU  25          2HG       GLU  25 -10.491   7.285 -17.499
  179   2HG   GLU  25          1HG       GLU  25 -11.786   6.104 -17.321
  180    H    SER  26           H        SER  26  -8.712   7.028 -13.363
  181    HA   SER  26           HA       SER  26  -8.127   8.035 -11.489
  182   1HB   SER  26          2HB       SER  26  -9.272  10.070 -12.174
  183   2HB   SER  26          1HB       SER  26 -10.814   9.397 -11.644
  184    HG   SER  26           HG       SER  26  -9.573   9.293  -9.474
  185    H    LYS  27           H        LYS  27 -11.544   7.825 -10.617
  186    HA   LYS  27           HA       LYS  27 -12.571   6.968  -8.782
  187   1HB   LYS  27          2HB       LYS  27 -10.588   4.670  -9.034
  188   2HB   LYS  27          1HB       LYS  27 -12.156   4.612  -8.255
  189   1HG   LYS  27          2HG       LYS  27 -13.113   5.085 -10.596
  190   2HG   LYS  27          1HG       LYS  27 -11.500   4.715 -11.159
  191   1HD   LYS  27          2HD       LYS  27 -13.292   2.860  -9.588
  192   2HD   LYS  27          1HD       LYS  27 -12.804   2.695 -11.273
  193   1HE   LYS  27          2HE       LYS  27 -10.430   2.487 -10.493
  194   2HE   LYS  27          1HE       LYS  27 -11.030   2.509  -8.840
  195   1HZ   LYS  27          1HZ       LYS  27 -10.713   0.240  -9.535
  196   2HZ   LYS  27          2HZ       LYS  27 -11.553   0.497 -10.927
  197   3HZ   LYS  27          3HZ       LYS  27 -12.386   0.489  -9.459
  198    HA   PRO  28           HA       PRO  28  -9.688   7.564  -5.289
  199   1HB   PRO  28          2HB       PRO  28 -10.503   5.295  -3.669
  200   2HB   PRO  28          1HB       PRO  28 -10.833   7.008  -3.403
  201   1HG   PRO  28          2HG       PRO  28 -12.761   5.196  -4.054
  202   2HG   PRO  28          1HG       PRO  28 -12.856   6.917  -4.468
  203   1HD   PRO  28          2HD       PRO  28 -12.059   4.598  -6.181
  204   2HD   PRO  28          1HD       PRO  28 -13.056   6.014  -6.591
  205    H    ILE  29           H        ILE  29  -7.615   6.960  -4.899
  206    HA   ILE  29           HA       ILE  29  -6.794   4.311  -5.910
  207    HB   ILE  29           HB       ILE  29  -4.992   6.765  -5.601
  208   1HG1  ILE  29          2HG1      ILE  29  -4.824   6.728  -8.106
  209   2HG1  ILE  29          1HG1      ILE  29  -6.177   5.605  -8.156
  210   1HG2  ILE  29          1HG2      ILE  29  -4.431   4.095  -6.875
  211   2HG2  ILE  29          2HG2      ILE  29  -3.778   4.691  -5.352
  212   3HG2  ILE  29          3HG2      ILE  29  -3.332   5.476  -6.868
  213   1HD1  ILE  29          1HD1      ILE  29  -6.158   8.425  -7.142
  214   2HD1  ILE  29          2HD1      ILE  29  -7.571   7.358  -7.127
  215   3HD1  ILE  29          3HD1      ILE  29  -6.843   7.860  -8.662
  216    H    TYR  30           H        TYR  30  -5.556   2.987  -4.573
  217    HA   TYR  30           HA       TYR  30  -4.989   3.994  -1.862
  218   1HB   TYR  30          2HB       TYR  30  -6.345   1.368  -2.480
  219   2HB   TYR  30          1HB       TYR  30  -5.864   1.967  -0.900
  220    HD1  TYR  30           1HD      TYR  30  -7.026   4.031  -0.003
  221    HD2  TYR  30           2HD      TYR  30  -8.423   1.886  -3.380
  222    HE1  TYR  30           1HE      TYR  30  -9.246   5.064   0.256
  223    HE2  TYR  30           2HE      TYR  30 -10.629   2.909  -3.134
  224    HH   TYR  30           HH       TYR  30 -11.183   5.571  -1.200
  225    H    VAL  31           H        VAL  31  -3.390   3.141  -0.846
  226    HA   VAL  31           HA       VAL  31  -1.824   1.068  -2.194
  227    HB   VAL  31           HB       VAL  31   0.211   2.036  -1.265
  228   1HG1  VAL  31          1HG1      VAL  31  -0.319   2.697  -3.510
  229   2HG1  VAL  31          2HG1      VAL  31   0.498   3.992  -2.648
  230   3HG1  VAL  31          3HG1      VAL  31  -1.256   4.077  -2.911
  231   1HG2  VAL  31          1HG2      VAL  31   0.250   4.294  -0.280
  232   2HG2  VAL  31          2HG2      VAL  31  -0.655   3.113   0.674
  233   3HG2  VAL  31          3HG2      VAL  31  -1.521   4.291  -0.319
  234    H    ALA  32           H        ALA  32  -0.682  -0.279  -0.634
  235    HA   ALA  32           HA       ALA  32  -1.743   0.054   2.042
  236   1HB   ALA  32          1HB       ALA  32  -1.468  -2.564   0.574
  237   2HB   ALA  32          2HB       ALA  32  -2.982  -1.739   0.938
  238   3HB   ALA  32          3HB       ALA  32  -1.981  -2.369   2.249
  239    H    ILE  33           H        ILE  33  -0.365  -0.081   3.574
  240    HA   ILE  33           HA       ILE  33   2.310  -1.174   3.081
  241    HB   ILE  33           HB       ILE  33   1.717   1.470   4.442
  242   1HG1  ILE  33          2HG1      ILE  33   3.298   0.853   1.952
  243   2HG1  ILE  33          1HG1      ILE  33   1.754   1.683   2.004
  244   1HG2  ILE  33          1HG2      ILE  33   4.353   0.035   4.198
  245   2HG2  ILE  33          2HG2      ILE  33   3.433   0.323   5.679
  246   3HG2  ILE  33          3HG2      ILE  33   4.127   1.681   4.785
  247   1HD1  ILE  33          1HD1      ILE  33   4.334   2.634   3.185
  248   2HD1  ILE  33          2HD1      ILE  33   2.802   3.504   3.280
  249   3HD1  ILE  33          3HD1      ILE  33   3.586   3.251   1.714
  250    H    LYS  34           H        LYS  34   2.572  -2.749   4.478
  251    HA   LYS  34           HA       LYS  34   2.759  -3.883   6.419
  252   1HB   LYS  34          2HB       LYS  34   2.967  -1.292   7.199
  253   2HB   LYS  34          1HB       LYS  34   1.527  -1.750   8.100
  254   1HG   LYS  34          2HG       LYS  34   3.428  -1.955   9.500
  255   2HG   LYS  34          1HG       LYS  34   2.897  -3.588   9.075
  256   1HD   LYS  34          2HD       LYS  34   4.648  -3.850   7.489
  257   2HD   LYS  34          1HD       LYS  34   5.060  -2.136   7.560
  258   1HE   LYS  34          2HE       LYS  34   5.356  -4.111   9.815
  259   2HE   LYS  34          1HE       LYS  34   6.663  -3.544   8.782
  260   1HZ   LYS  34          1HZ       LYS  34   6.606  -2.310  10.868
  261   2HZ   LYS  34          2HZ       LYS  34   5.030  -1.809  10.584
  262   3HZ   LYS  34          3HZ       LYS  34   6.276  -1.280   9.571
  263    H    GLY  35           H        GLY  35   0.277  -3.466   4.687
  264   1HA   GLY  35          2HA       GLY  35  -1.651  -4.637   4.600
  265   2HA   GLY  35          1HA       GLY  35  -1.616  -4.955   6.312
  266    H    ARG  36           H        ARG  36  -0.978  -1.785   5.918
  267    HA   ARG  36           HA       ARG  36  -3.703  -1.011   6.679
  268   1HB   ARG  36          2HB       ARG  36  -1.109   0.528   6.730
  269   2HB   ARG  36          1HB       ARG  36  -2.646   1.079   7.383
  270   1HG   ARG  36          2HG       ARG  36  -2.596  -0.613   9.085
  271   2HG   ARG  36          1HG       ARG  36  -1.171  -1.352   8.322
  272   1HD   ARG  36          2HD       ARG  36  -1.273   1.424   9.484
  273   2HD   ARG  36          1HD       ARG  36  -0.588   0.005  10.287
  274    HE   ARG  36           HE       ARG  36   0.466   0.417   7.683
  275   1HH1  ARG  36          1HH1      ARG  36   0.811   1.509  11.048
  276   2HH1  ARG  36          2HH1      ARG  36   2.463   1.862  10.888
  277   1HH2  ARG  36          1HH2      ARG  36   2.728   0.924   7.501
  278   2HH2  ARG  36          2HH2      ARG  36   3.590   1.472   8.865
  279    H    VAL  37           H        VAL  37  -4.950   0.073   5.268
  280    HA   VAL  37           HA       VAL  37  -3.762   0.752   2.709
  281    HB   VAL  37           HB       VAL  37  -6.664   0.485   3.535
  282   1HG1  VAL  37          1HG1      VAL  37  -7.185   0.761   1.151
  283   2HG1  VAL  37          2HG1      VAL  37  -5.474   1.057   0.827
  284   3HG1  VAL  37          3HG1      VAL  37  -6.401   2.210   1.789
  285   1HG2  VAL  37          1HG2      VAL  37  -6.611  -1.441   2.043
  286   2HG2  VAL  37          2HG2      VAL  37  -5.462  -1.600   3.367
  287   3HG2  VAL  37          3HG2      VAL  37  -4.896  -1.162   1.755
  288    H    PHE  38           H        PHE  38  -3.320   2.667   2.162
  289    HA   PHE  38           HA       PHE  38  -4.325   4.962   3.720
  290   1HB   PHE  38          2HB       PHE  38  -1.947   4.620   1.934
  291   2HB   PHE  38          1HB       PHE  38  -2.365   6.149   2.700
  292    HD1  PHE  38           1HD      PHE  38  -1.323   2.636   3.392
  293    HD2  PHE  38           2HD      PHE  38  -1.539   6.624   4.853
  294    HE1  PHE  38           1HE      PHE  38   0.082   2.010   5.303
  295    HE2  PHE  38           2HE      PHE  38  -0.130   5.996   6.765
  296    HZ   PHE  38           HZ       PHE  38   0.686   3.689   6.992
  297    H    ASP  39           H        ASP  39  -5.421   6.545   2.640
  298    HA   ASP  39           HA       ASP  39  -6.248   5.971  -0.099
  299   1HB   ASP  39          2HB       ASP  39  -7.874   6.815   1.671
  300   2HB   ASP  39          1HB       ASP  39  -7.020   8.350   1.623
  301    H    VAL  40           H        VAL  40  -4.972   6.612  -1.684
  302    HA   VAL  40           HA       VAL  40  -3.339   9.015  -1.253
  303    HB   VAL  40           HB       VAL  40  -1.821   8.154  -3.031
  304   1HG1  VAL  40          1HG1      VAL  40  -2.189   6.321  -0.674
  305   2HG1  VAL  40          2HG1      VAL  40  -1.251   7.826  -0.725
  306   3HG1  VAL  40          3HG1      VAL  40  -0.755   6.442  -1.703
  307   1HG2  VAL  40          1HG2      VAL  40  -3.441   5.627  -2.778
  308   2HG2  VAL  40          2HG2      VAL  40  -1.942   5.824  -3.701
  309   3HG2  VAL  40          3HG2      VAL  40  -3.392   6.702  -4.174
  310    H    THR  41           H        THR  41  -6.135   8.827  -2.274
  311    HA   THR  41           HA       THR  41  -6.068   9.337  -5.070
  312    HB   THR  41           HB       THR  41  -8.177  10.316  -3.125
  313    HG1  THR  41           1HG      THR  41  -8.158   8.271  -2.616
  314   1HG2  THR  41          1HG2      THR  41  -8.398  11.056  -5.460
  315   2HG2  THR  41          2HG2      THR  41  -9.675   9.901  -5.050
  316   3HG2  THR  41          3HG2      THR  41  -8.280   9.382  -5.998
  317    H    THR  42           H        THR  42  -5.529  11.161  -2.198
  318    HA   THR  42           HA       THR  42  -5.855  13.792  -3.070
  319    HB   THR  42           HB       THR  42  -3.807  12.797  -1.074
  320    HG1  THR  42           1HG      THR  42  -5.663  13.134   0.388
  321   1HG2  THR  42          1HG2      THR  42  -5.523  15.264  -1.234
  322   2HG2  THR  42          2HG2      THR  42  -3.790  15.190  -1.584
  323   3HG2  THR  42          3HG2      THR  42  -4.383  14.892   0.058
  324    H    GLY  43           H        GLY  43  -3.321  11.396  -3.466
  325   1HA   GLY  43          2HA       GLY  43  -1.665  13.356  -4.897
  326   2HA   GLY  43          1HA       GLY  43  -1.007  12.027  -3.948
  327    H    LYS  44           H        LYS  44  -3.760  12.069  -6.232
  328    HA   LYS  44           HA       LYS  44  -3.280   9.624  -7.323
  329   1HB   LYS  44          2HB       LYS  44  -5.360  10.860  -7.434
  330   2HB   LYS  44          1HB       LYS  44  -4.595  12.043  -8.487
  331   1HG   LYS  44          2HG       LYS  44  -4.269  10.373 -10.179
  332   2HG   LYS  44          1HG       LYS  44  -4.933   9.144  -9.110
  333   1HD   LYS  44          2HD       LYS  44  -6.438   9.834 -10.682
  334   2HD   LYS  44          1HD       LYS  44  -7.063  10.288  -9.082
  335   1HE   LYS  44          2HE       LYS  44  -7.550  12.095 -10.621
  336   2HE   LYS  44          1HE       LYS  44  -6.184  12.644  -9.656
  337   1HZ   LYS  44          1HZ       LYS  44  -6.059  11.502 -12.405
  338   2HZ   LYS  44          2HZ       LYS  44  -4.722  12.000 -11.520
  339   3HZ   LYS  44          3HZ       LYS  44  -5.882  13.117 -11.990
  340    H    SER  45           H        SER  45  -2.253  12.799  -8.365
  341    HA   SER  45           HA       SER  45  -1.031  12.369 -10.769
  342   1HB   SER  45          2HB       SER  45   0.089  14.028  -8.513
  343   2HB   SER  45          1HB       SER  45   0.413  14.247 -10.236
  344    HG   SER  45           HG       SER  45  -1.157  15.659  -9.728
  345    H    PHE  46           H        PHE  46   0.123  11.280  -7.632
  346    HA   PHE  46           HA       PHE  46   2.743  10.551  -8.672
  347   1HB   PHE  46          2HB       PHE  46   1.537  10.130  -5.935
  348   2HB   PHE  46          1HB       PHE  46   3.203   9.815  -6.376
  349    HD1  PHE  46           1HD      PHE  46   4.752  11.659  -6.711
  350    HD2  PHE  46           2HD      PHE  46   0.724  12.344  -5.542
  351    HE1  PHE  46           1HE      PHE  46   5.338  13.946  -6.029
  352    HE2  PHE  46           2HE      PHE  46   1.302  14.634  -4.862
  353    HZ   PHE  46           HZ       PHE  46   3.616  15.434  -5.106
  354    H    TYR  47           H        TYR  47  -0.178   9.017  -7.350
  355    HA   TYR  47           HA       TYR  47   1.027   6.404  -7.741
  356   1HB   TYR  47          2HB       TYR  47  -1.494   7.167  -6.297
  357   2HB   TYR  47          1HB       TYR  47  -0.771   5.562  -6.309
  358    HD1  TYR  47           1HD      TYR  47  -0.535   8.948  -5.012
  359    HD2  TYR  47           2HD      TYR  47   1.345   5.148  -5.118
  360    HE1  TYR  47           1HE      TYR  47   0.900   9.625  -3.156
  361    HE2  TYR  47           2HE      TYR  47   2.795   5.817  -3.244
  362    HH   TYR  47           HH       TYR  47   2.180   8.579  -1.394
  363    H    GLY  48           H        GLY  48  -1.975   8.094  -8.828
  364   1HA   GLY  48          2HA       GLY  48  -2.452   5.703 -10.489
  365   2HA   GLY  48          1HA       GLY  48  -3.740   6.634  -9.765
  366    H    SER  49           H        SER  49  -1.068   8.332 -11.135
  367    HA   SER  49           HA       SER  49  -2.446   8.555 -13.678
  368   1HB   SER  49          2HB       SER  49  -1.717  10.995 -12.050
  369   2HB   SER  49          1HB       SER  49  -2.350  11.021 -13.698
  370    HG   SER  49           HG       SER  49  -3.939   9.501 -12.340
  371    H    GLY  50           H        GLY  50  -0.656   7.235 -14.280
  372   1HA   GLY  50          2HA       GLY  50   1.346   6.866 -15.314
  373   2HA   GLY  50          1HA       GLY  50   1.239   8.547 -15.820
  374    H    GLY  51           H        GLY  51   1.650   7.181 -12.588
  375   1HA   GLY  51          2HA       GLY  51   4.024   8.900 -12.363
  376   2HA   GLY  51          1HA       GLY  51   3.019   8.390 -11.016
  377    H    ASP  52           H        ASP  52   5.671   8.198 -10.856
  378    HA   ASP  52           HA       ASP  52   6.792   5.667 -11.532
  379   1HB   ASP  52          2HB       ASP  52   8.208   7.593 -11.012
  380   2HB   ASP  52          1HB       ASP  52   7.527   7.695  -9.400
  381    H    TYR  53           H        TYR  53   4.812   6.859  -9.002
  382    HA   TYR  53           HA       TYR  53   5.287   4.610  -7.277
  383   1HB   TYR  53          2HB       TYR  53   3.439   6.977  -6.986
  384   2HB   TYR  53          1HB       TYR  53   3.650   5.728  -5.769
  385    HD1  TYR  53           1HD      TYR  53   5.905   5.434  -4.710
  386    HD2  TYR  53           2HD      TYR  53   4.967   8.779  -7.163
  387    HE1  TYR  53           1HE      TYR  53   7.812   6.652  -3.762
  388    HE2  TYR  53           2HE      TYR  53   6.876  10.008  -6.224
  389    HH   TYR  53           HH       TYR  53   9.300   8.511  -4.527
  390    H    SER  54           H        SER  54   3.848   4.560  -9.991
  391    HA   SER  54           HA       SER  54   1.162   3.793  -9.569
  392   1HB   SER  54          2HB       SER  54   2.127   4.465 -11.777
  393   2HB   SER  54          1HB       SER  54   3.030   2.956 -11.786
  394    HG   SER  54           HG       SER  54   1.226   2.592 -12.957
  395    H    MET  55           H        MET  55   4.134   2.165  -9.005
  396    HA   MET  55           HA       MET  55   3.143  -0.511  -9.257
  397   1HB   MET  55          2HB       MET  55   5.539   0.386  -7.665
  398   2HB   MET  55          1HB       MET  55   5.194  -1.247  -8.211
  399   1HG   MET  55          2HG       MET  55   5.940   1.126  -9.833
  400   2HG   MET  55          1HG       MET  55   6.857  -0.346  -9.578
  401   1HE   MET  55          1HE       MET  55   5.987  -0.565 -13.399
  402   2HE   MET  55          2HE       MET  55   7.279  -0.508 -12.194
  403   3HE   MET  55          3HE       MET  55   6.286   0.912 -12.488
  404    H    PHE  56           H        PHE  56   2.860   1.908  -6.923
  405    HA   PHE  56           HA       PHE  56   2.398   0.059  -4.722
  406   1HB   PHE  56          2HB       PHE  56   2.340   3.086  -4.800
  407   2HB   PHE  56          1HB       PHE  56   2.261   2.086  -3.354
  408    HD1  PHE  56           1HD      PHE  56   4.397   3.379  -5.992
  409    HD2  PHE  56           2HD      PHE  56   4.227   0.987  -2.518
  410    HE1  PHE  56           1HE      PHE  56   6.853   3.419  -5.870
  411    HE2  PHE  56           2HE      PHE  56   6.667   1.007  -2.365
  412    HZ   PHE  56           HZ       PHE  56   8.002   2.229  -4.050
  413    H    ALA  57           H        ALA  57   0.779   1.808  -7.133
  414    HA   ALA  57           HA       ALA  57  -1.660   2.310  -5.804
  415   1HB   ALA  57          1HB       ALA  57  -0.945   3.572  -7.776
  416   2HB   ALA  57          2HB       ALA  57  -2.529   2.830  -8.016
  417   3HB   ALA  57          3HB       ALA  57  -1.097   2.115  -8.757
  418    H    GLY  58           H        GLY  58  -2.707   0.694  -4.956
  419   1HA   GLY  58          2HA       GLY  58  -4.308  -0.925  -5.020
  420   2HA   GLY  58          1HA       GLY  58  -3.979  -1.297  -6.682
  421    H    LYS  59           H        LYS  59  -1.564  -1.000  -4.235
  422    HA   LYS  59           HA       LYS  59  -1.181  -3.882  -4.192
  423   1HB   LYS  59          2HB       LYS  59   0.737  -1.748  -4.989
  424   2HB   LYS  59          1HB       LYS  59   1.293  -3.257  -4.346
  425   1HG   LYS  59          2HG       LYS  59  -0.407  -3.067  -6.854
  426   2HG   LYS  59          1HG       LYS  59   1.322  -2.879  -6.868
  427   1HD   LYS  59          2HD       LYS  59   0.805  -5.157  -7.492
  428   2HD   LYS  59          1HD       LYS  59   1.595  -5.161  -5.935
  429   1HE   LYS  59          2HE       LYS  59  -0.182  -6.761  -6.012
  430   2HE   LYS  59          1HE       LYS  59  -0.602  -5.515  -4.856
  431   1HZ   LYS  59          1HZ       LYS  59  -1.603  -5.692  -7.655
  432   2HZ   LYS  59          2HZ       LYS  59  -2.066  -4.526  -6.526
  433   3HZ   LYS  59          3HZ       LYS  59  -2.479  -6.113  -6.295
  434    H    ASP  60           H        ASP  60  -0.431  -4.557  -2.212
  435    HA   ASP  60           HA       ASP  60   0.396  -2.529  -0.289
  436   1HB   ASP  60          2HB       ASP  60  -0.941  -4.487   0.583
  437   2HB   ASP  60          1HB       ASP  60   0.294  -5.561  -0.035
  438    H    ALA  61           H        ALA  61   2.460  -2.103  -0.053
  439    HA   ALA  61           HA       ALA  61   4.265  -3.686  -1.776
  440   1HB   ALA  61          1HB       ALA  61   4.239  -0.719  -1.375
  441   2HB   ALA  61          2HB       ALA  61   3.617  -1.583  -2.784
  442   3HB   ALA  61          3HB       ALA  61   5.342  -1.609  -2.426
  443    H    SER  62           H        SER  62   3.910  -4.028   1.074
  444    HA   SER  62           HA       SER  62   5.704  -2.621   2.621
  445   1HB   SER  62          2HB       SER  62   4.866  -5.505   2.957
  446   2HB   SER  62          1HB       SER  62   5.570  -4.455   4.196
  447    HG   SER  62           HG       SER  62   3.044  -4.351   2.975
  448    H    ARG  63           H        ARG  63   6.337  -5.632   0.807
  449    HA   ARG  63           HA       ARG  63   9.057  -5.836   1.579
  450   1HB   ARG  63          2HB       ARG  63   8.046  -7.801   0.791
  451   2HB   ARG  63          1HB       ARG  63   7.471  -7.048  -0.674
  452   1HG   ARG  63          2HG       ARG  63   9.830  -6.886  -1.452
  453   2HG   ARG  63          1HG       ARG  63  10.344  -7.697   0.025
  454   1HD   ARG  63          2HD       ARG  63   9.169  -9.691  -0.593
  455   2HD   ARG  63          1HD       ARG  63   8.426  -8.884  -1.975
  456    HE   ARG  63           HE       ARG  63  11.085  -8.606  -2.445
  457   1HH1  ARG  63          1HH1      ARG  63   9.094 -11.475  -1.771
  458   2HH1  ARG  63          2HH1      ARG  63  10.041 -12.495  -2.744
  459   1HH2  ARG  63          1HH2      ARG  63  12.324  -9.973  -3.718
  460   2HH2  ARG  63          2HH2      ARG  63  11.949 -11.633  -3.896
  461    H    ALA  64           H        ALA  64   7.477  -4.100  -0.999
  462    HA   ALA  64           HA       ALA  64   9.805  -3.770  -2.635
  463   1HB   ALA  64          1HB       ALA  64   7.182  -2.286  -2.633
  464   2HB   ALA  64          2HB       ALA  64   7.591  -3.693  -3.630
  465   3HB   ALA  64          3HB       ALA  64   8.421  -2.162  -3.879
  466    H    LEU  65           H        LEU  65   8.133  -2.072  -0.196
  467    HA   LEU  65           HA       LEU  65   9.583   0.331  -0.268
  468   1HB   LEU  65          2HB       LEU  65   7.958  -1.054   1.781
  469   2HB   LEU  65          1HB       LEU  65   8.692   0.499   2.071
  470    HG   LEU  65           HG       LEU  65   6.574  -0.124  -0.009
  471   1HD1  LEU  65          1HD1      LEU  65   5.717   0.007   2.257
  472   2HD1  LEU  65          2HD1      LEU  65   5.214   1.385   1.273
  473   3HD1  LEU  65          3HD1      LEU  65   6.489   1.580   2.467
  474   1HD2  LEU  65          1HD2      LEU  65   8.033   2.352   0.683
  475   2HD2  LEU  65          2HD2      LEU  65   6.618   2.296  -0.385
  476   3HD2  LEU  65          3HD2      LEU  65   8.141   1.501  -0.858
  477    H    GLY  66           H        GLY  66  10.308  -2.745   1.123
  478   1HA   GLY  66          2HA       GLY  66  12.461  -1.540   2.639
  479   2HA   GLY  66          1HA       GLY  66  12.059  -3.237   2.622
  480    H    LYS  67           H        LYS  67  11.973  -3.147  -0.344
  481    HA   LYS  67           HA       LYS  67  14.808  -3.728  -0.710
  482   1HB   LYS  67          2HB       LYS  67  12.545  -4.100  -2.665
  483   2HB   LYS  67          1HB       LYS  67  14.142  -4.822  -2.760
  484   1HG   LYS  67          2HG       LYS  67  12.079  -5.365  -0.651
  485   2HG   LYS  67          1HG       LYS  67  12.418  -6.432  -1.996
  486   1HD   LYS  67          2HD       LYS  67  14.335  -5.657   0.226
  487   2HD   LYS  67          1HD       LYS  67  13.469  -7.181   0.107
  488   1HE   LYS  67          2HE       LYS  67  14.619  -7.670  -1.962
  489   2HE   LYS  67          1HE       LYS  67  15.515  -6.154  -1.846
  490   1HZ   LYS  67          1HZ       LYS  67  16.848  -7.992  -0.982
  491   2HZ   LYS  67          2HZ       LYS  67  15.612  -8.398   0.077
  492   3HZ   LYS  67          3HZ       LYS  67  16.425  -6.937   0.283
  493    H    MET  68           H        MET  68  12.437  -1.396  -1.644
  494    HA   MET  68           HA       MET  68  12.565   0.683  -2.498
  495   1HB   MET  68          2HB       MET  68  15.534   0.177  -2.924
  496   2HB   MET  68          1HB       MET  68  14.728   1.719  -3.171
  497   1HG   MET  68          2HG       MET  68  14.142   1.745  -0.767
  498   2HG   MET  68          1HG       MET  68  15.030   0.238  -0.578
  499   1HE   MET  68          1HE       MET  68  17.007   4.259  -1.711
  500   2HE   MET  68          2HE       MET  68  15.294   4.083  -1.346
  501   3HE   MET  68          3HE       MET  68  15.959   3.366  -2.812
  502    H    SER  69           H        SER  69  12.226  -1.824  -3.752
  503    HA   SER  69           HA       SER  69  12.881  -1.286  -6.568
  504   1HB   SER  69          2HB       SER  69  12.204  -3.832  -5.092
  505   2HB   SER  69          1HB       SER  69  12.621  -3.696  -6.795
  506    HG   SER  69           HG       SER  69  14.441  -2.546  -5.101
  507    H    LYS  70           H        LYS  70  11.403  -1.595  -8.065
  508    HA   LYS  70           HA       LYS  70   8.667  -1.014  -7.164
  509   1HB   LYS  70          2HB       LYS  70  10.213  -0.199  -9.606
  510   2HB   LYS  70          1HB       LYS  70   8.585   0.334  -9.204
  511   1HG   LYS  70          2HG       LYS  70   9.304   1.516  -7.321
  512   2HG   LYS  70          1HG       LYS  70  10.888   0.744  -7.356
  513   1HD   LYS  70          2HD       LYS  70  11.415   1.852  -9.384
  514   2HD   LYS  70          1HD       LYS  70   9.775   2.498  -9.445
  515   1HE   LYS  70          2HE       LYS  70  10.222   3.753  -7.353
  516   2HE   LYS  70          1HE       LYS  70  11.845   3.070  -7.306
  517   1HZ   LYS  70          1HZ       LYS  70  10.756   4.940  -9.337
  518   2HZ   LYS  70          2HZ       LYS  70  12.298   4.248  -9.409
  519   3HZ   LYS  70          3HZ       LYS  70  11.899   5.298  -8.148
  520    H    ASN  71           H        ASN  71  10.699  -2.998  -8.927
  521    HA   ASN  71           HA       ASN  71   9.043  -4.292 -10.771
  522   1HB   ASN  71          2HB       ASN  71  10.386  -6.319 -10.264
  523   2HB   ASN  71          1HB       ASN  71  11.329  -4.933 -10.889
  524   1HD2  ASN  71          1HD2      ASN  71  10.706  -7.082  -8.332
  525   2HD2  ASN  71          2HD2      ASN  71  11.932  -6.559  -7.229
  526    H    GLU  72           H        GLU  72   7.726  -5.904 -10.784
  527    HA   GLU  72           HA       GLU  72   5.909  -6.133  -8.714
  528   1HB   GLU  72          2HB       GLU  72   5.040  -8.037  -9.943
  529   2HB   GLU  72          1HB       GLU  72   5.171  -6.573 -10.930
  530   1HG   GLU  72          2HG       GLU  72   7.206  -7.521 -11.918
  531   2HG   GLU  72          1HG       GLU  72   7.019  -8.959 -10.911
  532    H    GLU  73           H        GLU  73   8.731  -8.056  -9.334
  533    HA   GLU  73           HA       GLU  73   8.280 -10.317  -7.796
  534   1HB   GLU  73          2HB       GLU  73  10.224 -10.017  -9.169
  535   2HB   GLU  73          1HB       GLU  73  10.785  -8.686  -8.194
  536   1HG   GLU  73          2HG       GLU  73  12.101 -10.612  -7.713
  537   2HG   GLU  73          1HG       GLU  73  11.104 -10.187  -6.325
  538    H    ASP  74           H        ASP  74   9.374  -7.087  -6.787
  539    HA   ASP  74           HA       ASP  74   9.413  -8.033  -4.055
  540   1HB   ASP  74          2HB       ASP  74  10.545  -5.509  -5.252
  541   2HB   ASP  74          1HB       ASP  74  10.525  -5.839  -3.525
  542    H    VAL  75           H        VAL  75   7.397  -6.311  -6.120
  543    HA   VAL  75           HA       VAL  75   6.090  -4.881  -3.937
  544    HB   VAL  75           HB       VAL  75   4.928  -5.391  -6.709
  545   1HG1  VAL  75          1HG1      VAL  75   3.301  -4.623  -5.049
  546   2HG1  VAL  75          2HG1      VAL  75   3.646  -3.373  -6.274
  547   3HG1  VAL  75          3HG1      VAL  75   4.357  -3.249  -4.685
  548   1HG2  VAL  75          1HG2      VAL  75   5.697  -3.206  -7.326
  549   2HG2  VAL  75          2HG2      VAL  75   7.054  -4.292  -6.940
  550   3HG2  VAL  75          3HG2      VAL  75   6.540  -3.050  -5.780
  551    H    SER  76           H        SER  76   5.245  -6.096  -2.435
  552    HA   SER  76           HA       SER  76   3.404  -8.202  -3.121
  553   1HB   SER  76          2HB       SER  76   5.650  -9.205  -3.237
  554   2HB   SER  76          1HB       SER  76   5.988  -8.644  -1.611
  555    HG   SER  76           HG       SER  76   4.024 -10.533  -2.393
  556    HA   PRO  77           HA       PRO  77   1.666  -6.565   0.699
  557   1HB   PRO  77          2HB       PRO  77  -0.133  -8.473   1.243
  558   2HB   PRO  77          1HB       PRO  77  -0.314  -7.453  -0.184
  559   1HG   PRO  77          2HG       PRO  77   0.787 -10.220   0.027
  560   2HG   PRO  77          1HG       PRO  77  -0.360  -9.563  -1.155
  561   1HD   PRO  77          2HD       PRO  77   2.294  -9.863  -1.668
  562   2HD   PRO  77          1HD       PRO  77   1.305  -8.588  -2.412
  563    H    SER  78           H        SER  78   4.109  -8.095   0.987
  564    HA   SER  78           HA       SER  78   3.861  -8.709   3.770
  565   1HB   SER  78          2HB       SER  78   3.347 -10.890   2.675
  566   2HB   SER  78          1HB       SER  78   4.850 -10.766   1.778
  567    HG   SER  78           HG       SER  78   4.391 -11.603   4.310
  568    H    LEU  79           H        LEU  79   6.171  -9.266   4.479
  569    HA   LEU  79           HA       LEU  79   8.172  -7.970   2.824
  570   1HB   LEU  79          2HB       LEU  79   9.132  -6.911   4.952
  571   2HB   LEU  79          1HB       LEU  79   7.719  -6.154   4.257
  572    HG   LEU  79           HG       LEU  79   7.476  -8.053   6.608
  573   1HD1  LEU  79          1HD1      LEU  79   9.052  -6.197   7.188
  574   2HD1  LEU  79          2HD1      LEU  79   7.503  -6.049   8.028
  575   3HD1  LEU  79          3HD1      LEU  79   7.840  -5.042   6.628
  576   1HD2  LEU  79          1HD2      LEU  79   5.490  -7.450   5.295
  577   2HD2  LEU  79          2HD2      LEU  79   5.886  -5.754   5.575
  578   3HD2  LEU  79          3HD2      LEU  79   5.418  -6.783   6.946
  579    H    GLU  80           H        GLU  80   7.400 -10.661   3.469
  580    HA   GLU  80           HA       GLU  80   9.151 -11.857   5.291
  581   1HB   GLU  80          2HB       GLU  80   7.285 -12.979   4.438
  582   2HB   GLU  80          1HB       GLU  80   7.923 -13.018   2.780
  583   1HG   GLU  80          2HG       GLU  80   8.207 -15.175   3.799
  584   2HG   GLU  80          1HG       GLU  80   9.789 -14.388   3.726
  585    H    GLY  81           H        GLY  81  11.197 -11.949   5.246
  586   1HA   GLY  81          2HA       GLY  81  12.962 -12.975   4.193
  587   2HA   GLY  81          1HA       GLY  81  12.554 -12.188   2.671
  588    H    LEU  82           H        LEU  82  11.761  -9.927   4.650
  589    HA   LEU  82           HA       LEU  82  14.221  -8.485   4.374
  590   1HB   LEU  82          2HB       LEU  82  11.408  -7.735   5.032
  591   2HB   LEU  82          1HB       LEU  82  12.705  -6.624   5.390
  592    HG   LEU  82           HG       LEU  82  13.282  -6.556   2.979
  593   1HD1  LEU  82          1HD1      LEU  82  12.699  -8.679   2.401
  594   2HD1  LEU  82          2HD1      LEU  82  11.881  -7.495   1.352
  595   3HD1  LEU  82          3HD1      LEU  82  10.967  -8.370   2.622
  596   1HD2  LEU  82          1HD2      LEU  82  10.375  -6.005   3.511
  597   2HD2  LEU  82          2HD2      LEU  82  11.353  -5.351   2.196
  598   3HD2  LEU  82          3HD2      LEU  82  11.722  -4.920   3.870
  599    H    THR  83           H        THR  83  15.628  -8.621   5.843
  600    HA   THR  83           HA       THR  83  14.912  -9.120   8.570
  601    HB   THR  83           HB       THR  83  16.977 -10.163   7.713
  602    HG1  THR  83           1HG      THR  83  17.542  -9.962   9.678
  603   1HG2  THR  83          1HG2      THR  83  17.609  -8.504   6.037
  604   2HG2  THR  83          2HG2      THR  83  18.954  -8.780   7.153
  605   3HG2  THR  83          3HG2      THR  83  17.933  -7.346   7.321
  606    H    GLU  84           H        GLU  84  16.579  -7.490   9.956
  607    HA   GLU  84           HA       GLU  84  14.892  -5.363  10.453
  608   1HB   GLU  84          2HB       GLU  84  16.491  -6.290  12.040
  609   2HB   GLU  84          1HB       GLU  84  17.809  -5.559  11.144
  610   1HG   GLU  84          2HG       GLU  84  16.821  -3.343  11.605
  611   2HG   GLU  84          1HG       GLU  84  15.607  -4.135  12.601
  612    H    LYS  85           H        LYS  85  17.971  -5.222   8.625
  613    HA   LYS  85           HA       LYS  85  18.009  -2.441   8.193
  614   1HB   LYS  85          2HB       LYS  85  19.445  -2.920   6.249
  615   2HB   LYS  85          1HB       LYS  85  19.951  -3.798   7.692
  616   1HG   LYS  85          2HG       LYS  85  18.910  -5.762   6.933
  617   2HG   LYS  85          1HG       LYS  85  18.168  -4.916   5.617
  618   1HD   LYS  85          2HD       LYS  85  20.002  -4.533   4.492
  619   2HD   LYS  85          1HD       LYS  85  21.184  -5.025   5.770
  620   1HE   LYS  85          2HE       LYS  85  20.206  -7.340   5.430
  621   2HE   LYS  85          1HE       LYS  85  19.278  -6.675   4.087
  622   1HZ   LYS  85          1HZ       LYS  85  22.227  -6.746   4.289
  623   2HZ   LYS  85          2HZ       LYS  85  21.362  -6.068   3.018
  624   3HZ   LYS  85          3HZ       LYS  85  21.281  -7.730   3.293
  625    H    GLU  86           H        GLU  86  16.399  -5.061   6.271
  626    HA   GLU  86           HA       GLU  86  15.865  -3.432   4.094
  627   1HB   GLU  86          2HB       GLU  86  14.676  -5.980   5.100
  628   2HB   GLU  86          1HB       GLU  86  14.441  -5.215   3.532
  629   1HG   GLU  86          2HG       GLU  86  17.072  -6.265   4.591
  630   2HG   GLU  86          1HG       GLU  86  16.028  -7.133   3.483
  631    H    ILE  87           H        ILE  87  14.201  -4.587   6.936
  632    HA   ILE  87           HA       ILE  87  11.747  -3.441   6.300
  633    HB   ILE  87           HB       ILE  87  12.859  -4.111   9.029
  634   1HG1  ILE  87          2HG1      ILE  87  11.110  -5.681   7.117
  635   2HG1  ILE  87          1HG1      ILE  87  12.747  -6.047   7.579
  636   1HG2  ILE  87          1HG2      ILE  87  11.091  -2.522   9.090
  637   2HG2  ILE  87          2HG2      ILE  87  10.479  -4.112   9.670
  638   3HG2  ILE  87          3HG2      ILE  87  10.141  -3.537   8.009
  639   1HD1  ILE  87          1HD1      ILE  87  12.063  -6.413   9.877
  640   2HD1  ILE  87          2HD1      ILE  87  11.150  -7.461   8.776
  641   3HD1  ILE  87          3HD1      ILE  87  10.406  -6.004   9.450
  642    H    ASN  88           H        ASN  88  14.603  -2.217   8.000
  643    HA   ASN  88           HA       ASN  88  13.531   0.134   9.070
  644   1HB   ASN  88          2HB       ASN  88  16.258  -0.571   8.140
  645   2HB   ASN  88          1HB       ASN  88  15.841   1.130   8.350
  646   1HD2  ASN  88          1HD2      ASN  88  16.225  -1.932   9.982
  647   2HD2  ASN  88          2HD2      ASN  88  16.320  -1.260  11.572
  648    H    THR  89           H        THR  89  14.629  -0.458   5.829
  649    HA   THR  89           HA       THR  89  14.361   2.109   4.838
  650    HB   THR  89           HB       THR  89  14.095  -0.586   3.517
  651    HG1  THR  89           1HG      THR  89  16.203  -0.531   3.421
  652   1HG2  THR  89          1HG2      THR  89  14.613   0.602   1.440
  653   2HG2  THR  89          2HG2      THR  89  14.461   2.153   2.311
  654   3HG2  THR  89          3HG2      THR  89  13.072   1.050   2.159
  655    H    LEU  90           H        LEU  90  11.968  -0.495   5.170
  656    HA   LEU  90           HA       LEU  90   9.927   0.840   3.642
  657   1HB   LEU  90          2HB       LEU  90   9.346  -1.298   3.518
  658   2HB   LEU  90          1HB       LEU  90  10.283  -1.789   4.868
  659    HG   LEU  90           HG       LEU  90   8.225  -0.609   6.108
  660   1HD1  LEU  90          1HD1      LEU  90   7.019  -1.487   3.558
  661   2HD1  LEU  90          2HD1      LEU  90   7.091   0.147   4.229
  662   3HD1  LEU  90          3HD1      LEU  90   6.138  -1.098   5.034
  663   1HD2  LEU  90          1HD2      LEU  90   7.209  -2.792   6.328
  664   2HD2  LEU  90          2HD2      LEU  90   8.982  -2.812   6.500
  665   3HD2  LEU  90          3HD2      LEU  90   8.233  -3.377   5.001
  666    H    ASN  91           H        ASN  91  10.822   0.329   6.932
  667    HA   ASN  91           HA       ASN  91   8.640   1.394   8.264
  668   1HB   ASN  91          2HB       ASN  91  11.562   1.512   8.961
  669   2HB   ASN  91          1HB       ASN  91  10.280   2.053  10.006
  670   1HD2  ASN  91          1HD2      ASN  91   8.515  -0.302   9.148
  671   2HD2  ASN  91          2HD2      ASN  91   9.231  -1.610   9.998
  672    H    ASP  92           H        ASP  92  11.396   2.983   6.799
  673    HA   ASP  92           HA       ASP  92  10.720   5.610   7.641
  674   1HB   ASP  92          2HB       ASP  92  12.977   4.962   6.877
  675   2HB   ASP  92          1HB       ASP  92  12.351   4.732   5.248
  676    H    TRP  93           H        TRP  93  10.032   3.704   4.773
  677    HA   TRP  93           HA       TRP  93   8.569   5.647   3.343
  678   1HB   TRP  93          2HB       TRP  93   8.727   2.707   3.309
  679   2HB   TRP  93          1HB       TRP  93   7.537   3.469   2.293
  680    HD1  TRP  93           HD       TRP  93  11.045   2.353   2.339
  681    HE1  TRP  93           1HE      TRP  93  12.363   3.264   0.348
  682    HE3  TRP  93           3HE      TRP  93   7.743   5.910   0.758
  683    HZ2  TRP  93           2HZ      TRP  93  12.051   5.240  -1.660
  684    HZ3  TRP  93           3HZ      TRP  93   8.326   7.270  -1.210
  685    HH2  TRP  93           HH       TRP  93  10.435   6.942  -2.391
  686    H    GLU  94           H        GLU  94   7.503   3.257   5.659
  687    HA   GLU  94           HA       GLU  94   4.752   3.612   5.594
  688   1HB   GLU  94          2HB       GLU  94   6.517   3.377   8.032
  689   2HB   GLU  94          1HB       GLU  94   4.783   3.138   8.018
  690   1HG   GLU  94          2HG       GLU  94   5.044   1.213   6.590
  691   2HG   GLU  94          1HG       GLU  94   6.794   1.451   6.542
  692    H    THR  95           H        THR  95   7.205   5.451   7.088
  693    HA   THR  95           HA       THR  95   5.667   7.263   8.635
  694    HB   THR  95           HB       THR  95   8.441   7.571   7.529
  695    HG1  THR  95           1HG      THR  95   8.615   5.723   8.719
  696   1HG2  THR  95          1HG2      THR  95   8.822   8.917   9.572
  697   2HG2  THR  95          2HG2      THR  95   7.136   8.687  10.031
  698   3HG2  THR  95          3HG2      THR  95   7.534   9.603   8.580
  699    H    LYS  96           H        LYS  96   6.685   7.257   5.297
  700    HA   LYS  96           HA       LYS  96   6.555  10.097   4.934
  701   1HB   LYS  96          2HB       LYS  96   6.788   7.837   2.945
  702   2HB   LYS  96          1HB       LYS  96   7.054   9.545   2.598
  703   1HG   LYS  96          2HG       LYS  96   8.593   7.978   4.616
  704   2HG   LYS  96          1HG       LYS  96   9.216   8.209   3.011
  705   1HD   LYS  96          2HD       LYS  96   9.084  10.692   3.441
  706   2HD   LYS  96          1HD       LYS  96   8.596  10.313   5.089
  707   1HE   LYS  96          2HE       LYS  96  10.685   9.116   5.453
  708   2HE   LYS  96          1HE       LYS  96  11.182   9.455   3.798
  709   1HZ   LYS  96          1HZ       LYS  96  12.185  10.987   5.380
  710   2HZ   LYS  96          2HZ       LYS  96  10.667  11.509   5.888
  711   3HZ   LYS  96          3HZ       LYS  96  11.172  11.801   4.310
  712    H    PHE  97           H        PHE  97   4.718   7.301   4.138
  713    HA   PHE  97           HA       PHE  97   2.584   8.658   2.898
  714   1HB   PHE  97          2HB       PHE  97   2.970   5.954   4.059
  715   2HB   PHE  97          1HB       PHE  97   1.435   6.421   3.383
  716    HD1  PHE  97           1HD      PHE  97   1.055   6.082   1.097
  717    HD2  PHE  97           2HD      PHE  97   5.063   6.175   2.516
  718    HE1  PHE  97           1HE      PHE  97   1.859   5.383  -1.119
  719    HE2  PHE  97           2HE      PHE  97   5.866   5.480   0.295
  720    HZ   PHE  97           HZ       PHE  97   4.265   5.081  -1.518
  721    H    GLU  98           H        GLU  98   3.253   7.464   6.122
  722    HA   GLU  98           HA       GLU  98   0.792   7.634   7.387
  723   1HB   GLU  98          2HB       GLU  98   3.440   7.067   8.037
  724   2HB   GLU  98          1HB       GLU  98   2.983   8.360   9.124
  725   1HG   GLU  98          2HG       GLU  98   1.539   5.734   8.782
  726   2HG   GLU  98          1HG       GLU  98   2.653   6.157  10.072
  727    H    ALA  99           H        ALA  99   2.803  10.273   6.390
  728    HA   ALA  99           HA       ALA  99   1.488  12.018   8.345
  729   1HB   ALA  99          1HB       ALA  99   3.935  12.043   8.319
  730   2HB   ALA  99          2HB       ALA  99   3.231  13.613   7.924
  731   3HB   ALA  99          3HB       ALA  99   3.884  12.589   6.642
  732    H    LYS 100           H        LYS 100   1.128  11.042   5.198
  733    HA   LYS 100           HA       LYS 100  -0.019  13.644   4.498
  734   1HB   LYS 100          2HB       LYS 100   1.484  11.724   2.737
  735   2HB   LYS 100          1HB       LYS 100   0.409  12.920   2.073
  736   1HG   LYS 100          2HG       LYS 100   2.626  13.752   1.883
  737   2HG   LYS 100          1HG       LYS 100   1.839  14.677   3.150
  738   1HD   LYS 100          2HD       LYS 100   2.977  13.339   4.836
  739   2HD   LYS 100          1HD       LYS 100   3.741  12.369   3.570
  740   1HE   LYS 100          2HE       LYS 100   4.763  14.381   2.684
  741   2HE   LYS 100          1HE       LYS 100   4.089  15.333   4.001
  742   1HZ   LYS 100          1HZ       LYS 100   5.398  13.923   5.568
  743   2HZ   LYS 100          2HZ       LYS 100   6.350  14.780   4.500
  744   3HZ   LYS 100          3HZ       LYS 100   6.086  13.131   4.243
  745    H    TYR 101           H        TYR 101  -0.292  10.147   4.276
  746    HA   TYR 101           HA       TYR 101  -2.943  10.525   3.133
  747   1HB   TYR 101          2HB       TYR 101  -1.147   8.107   2.973
  748   2HB   TYR 101          1HB       TYR 101  -2.677   8.360   2.133
  749    HD1  TYR 101           1HD      TYR 101  -2.794  10.359   0.490
  750    HD2  TYR 101           2HD      TYR 101   0.841   8.743   1.974
  751    HE1  TYR 101           1HE      TYR 101  -1.571  11.425  -1.355
  752    HE2  TYR 101           2HE      TYR 101   2.078   9.802   0.144
  753    HH   TYR 101           HH       TYR 101   0.714  12.200  -1.756
  754    HA   PRO 102           HA       PRO 102  -4.265   8.809   7.014
  755   1HB   PRO 102          2HB       PRO 102  -6.891   8.757   6.526
  756   2HB   PRO 102          1HB       PRO 102  -6.036  10.288   6.753
  757   1HG   PRO 102          2HG       PRO 102  -6.852   8.943   4.208
  758   2HG   PRO 102          1HG       PRO 102  -7.023  10.646   4.657
  759   1HD   PRO 102          2HD       PRO 102  -4.990   9.739   3.089
  760   2HD   PRO 102          1HD       PRO 102  -4.829  11.118   4.203
  761    H    VAL 103           H        VAL 103  -4.513   6.808   7.703
  762    HA   VAL 103           HA       VAL 103  -4.786   4.608   5.882
  763    HB   VAL 103           HB       VAL 103  -4.960   4.590   8.916
  764   1HG1  VAL 103          1HG1      VAL 103  -4.452   2.187   8.726
  765   2HG1  VAL 103          2HG1      VAL 103  -4.515   2.322   6.967
  766   3HG1  VAL 103          3HG1      VAL 103  -5.968   2.603   7.927
  767   1HG2  VAL 103          1HG2      VAL 103  -2.799   5.420   8.176
  768   2HG2  VAL 103          2HG2      VAL 103  -2.621   4.032   7.105
  769   3HG2  VAL 103          3HG2      VAL 103  -2.632   3.797   8.847
  770    H    VAL 104           H        VAL 104  -6.609   4.242   4.996
  771    HA   VAL 104           HA       VAL 104  -9.056   4.957   6.447
  772    HB   VAL 104           HB       VAL 104 -10.198   5.019   4.262
  773   1HG1  VAL 104          1HG1      VAL 104  -9.246   7.051   5.220
  774   2HG1  VAL 104          2HG1      VAL 104  -9.126   7.075   3.463
  775   3HG1  VAL 104          3HG1      VAL 104  -7.702   6.708   4.440
  776   1HG2  VAL 104          1HG2      VAL 104  -7.434   4.553   3.139
  777   2HG2  VAL 104          2HG2      VAL 104  -8.871   4.972   2.209
  778   3HG2  VAL 104          3HG2      VAL 104  -8.790   3.423   3.055
  779    H    GLY 105           H        GLY 105  -7.353   2.279   6.128
  780   1HA   GLY 105          2HA       GLY 105  -9.264   0.606   7.024
  781   2HA   GLY 105          1HA       GLY 105  -9.426   0.478   5.292
  782    H    ARG 106           H        ARG 106  -8.802  -1.669   5.348
  783    HA   ARG 106           HA       ARG 106  -5.938  -2.143   5.869
  784   1HB   ARG 106          2HB       ARG 106  -6.488  -4.356   6.727
  785   2HB   ARG 106          1HB       ARG 106  -7.081  -3.131   7.793
  786   1HG   ARG 106          2HG       ARG 106  -9.302  -3.438   7.071
  787   2HG   ARG 106          1HG       ARG 106  -8.772  -4.532   5.782
  788   1HD   ARG 106          2HD       ARG 106  -9.607  -5.757   7.719
  789   2HD   ARG 106          1HD       ARG 106  -7.883  -6.013   7.327
  790    HE   ARG 106           HE       ARG 106  -8.009  -3.985   9.231
  791   1HH1  ARG 106          1HH1      ARG 106  -8.883  -7.417   9.182
  792   2HH1  ARG 106          2HH1      ARG 106  -8.511  -7.681  10.811
  793   1HH2  ARG 106          1HH2      ARG 106  -7.532  -4.329  11.449
  794   2HH2  ARG 106          2HH2      ARG 106  -7.756  -5.879  12.152
  795    H    VAL 107           H        VAL 107  -5.110  -3.899   4.759
  796    HA   VAL 107           HA       VAL 107  -6.889  -4.872   2.713
  797    HB   VAL 107           HB       VAL 107  -4.723  -3.915   1.825
  798   1HG1  VAL 107          1HG1      VAL 107  -3.314  -4.516   3.663
  799   2HG1  VAL 107          2HG1      VAL 107  -2.699  -5.166   2.112
  800   3HG1  VAL 107          3HG1      VAL 107  -3.537  -6.229   3.258
  801   1HG2  VAL 107          1HG2      VAL 107  -5.950  -5.535   0.591
  802   2HG2  VAL 107          2HG2      VAL 107  -5.265  -6.795   1.584
  803   3HG2  VAL 107          3HG2      VAL 107  -4.209  -5.926   0.425
  804    H    VAL 108           H        VAL 108  -7.318  -6.912   2.632
  805    HA   VAL 108           HA       VAL 108  -6.310  -8.592   4.783
  806    HB   VAL 108           HB       VAL 108  -8.611  -9.694   4.728
  807   1HG1  VAL 108          1HG1      VAL 108  -9.648  -7.870   5.945
  808   2HG1  VAL 108          2HG1      VAL 108  -8.580  -6.770   5.096
  809   3HG1  VAL 108          3HG1      VAL 108  -7.887  -7.902   6.308
  810   1HG2  VAL 108          1HG2      VAL 108 -10.389  -8.417   3.790
  811   2HG2  VAL 108          2HG2      VAL 108  -9.216  -8.797   2.485
  812   3HG2  VAL 108          3HG2      VAL 108  -9.211  -7.205   3.335
  813    H    SER 109           H        SER 109  -5.938 -10.693   4.290
  814    HA   SER 109           HA       SER 109  -6.159 -11.450   1.528
  815   1HB   SER 109          2HB       SER 109  -4.094 -10.213   1.661
  816   2HB   SER 109          1HB       SER 109  -3.598 -11.127   3.078
  817    HG   SER 109           HG       SER 109  -3.943 -12.087   0.413
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1 -18.213  -4.045  -5.329
    2   2H    MET   1          2HT       MET   1 -17.081  -2.922  -4.789
    3   3H    MET   1          3HT       MET   1 -16.963  -3.532  -6.346
    4    HA   MET   1           HA       MET   1 -17.818  -1.275  -6.255
    5   1HB   MET   1          2HB       MET   1 -19.893  -3.296  -7.149
    6   2HB   MET   1          1HB       MET   1 -19.895  -1.601  -7.573
    7   1HG   MET   1          2HG       MET   1 -19.084  -2.895  -9.437
    8   2HG   MET   1          1HG       MET   1 -17.770  -1.927  -8.793
    9   1HE   MET   1          1HE       MET   1 -16.045  -5.215 -10.131
   10   2HE   MET   1          2HE       MET   1 -16.108  -3.461 -10.261
   11   3HE   MET   1          3HE       MET   1 -17.475  -4.435 -10.809
   12    H    GLY   2           H        GLY   2 -20.553  -3.348  -5.223
   13   1HA   GLY   2          2HA       GLY   2 -22.109  -3.007  -3.616
   14   2HA   GLY   2          1HA       GLY   2 -20.934  -1.995  -2.793
   15    H    HIS   3           H        HIS   3 -22.444  -0.491  -2.197
   16    HA   HIS   3           HA       HIS   3 -23.966   0.942  -4.235
   17   1HB   HIS   3          2HB       HIS   3 -23.790   1.417  -1.246
   18   2HB   HIS   3          1HB       HIS   3 -24.889   2.234  -2.348
   19    HD1  HIS   3           1HD      HIS   3 -24.914  -0.289   0.089
   20    HD2  HIS   3           2HD      HIS   3 -26.579   0.064  -3.691
   21    HE1  HIS   3           1HE      HIS   3 -26.801  -1.930   0.034
   22    HE2  HIS   3           2HE      HIS   3 -27.544  -1.910  -2.371
   23    H    HIS   4           H        HIS   4 -21.876   1.864  -1.569
   24    HA   HIS   4           HA       HIS   4 -20.370   3.639  -3.340
   25   1HB   HIS   4          2HB       HIS   4 -22.096   5.061  -2.294
   26   2HB   HIS   4          1HB       HIS   4 -21.592   4.517  -0.705
   27    HD1  HIS   4           1HD      HIS   4 -20.667   6.889  -3.453
   28    HD2  HIS   4           2HD      HIS   4 -19.228   5.731   0.267
   29    HE1  HIS   4           1HE      HIS   4 -18.988   8.617  -2.815
   30    HE2  HIS   4           2HE      HIS   4 -18.343   8.030  -0.461
   31    H    HIS   5           H        HIS   5 -20.709   1.750  -0.467
   32    HA   HIS   5           HA       HIS   5 -19.376   0.865   1.053
   33   1HB   HIS   5          2HB       HIS   5 -17.436  -0.408   0.262
   34   2HB   HIS   5          1HB       HIS   5 -18.720  -0.513  -0.916
   35    HD1  HIS   5           1HD      HIS   5 -15.154   0.372  -0.512
   36    HD2  HIS   5           2HD      HIS   5 -18.121   0.940  -3.375
   37    HE1  HIS   5           1HE      HIS   5 -13.962   1.050  -2.600
   38    HE2  HIS   5           2HE      HIS   5 -15.767   1.141  -4.362
   39    H    HIS   6           H        HIS   6 -16.787   0.738   1.652
   40    HA   HIS   6           HA       HIS   6 -14.980   1.695   2.494
   41   1HB   HIS   6          2HB       HIS   6 -14.936   2.824   0.206
   42   2HB   HIS   6          1HB       HIS   6 -15.671   4.219   0.983
   43    HD1  HIS   6           1HD      HIS   6 -12.533   2.216   0.873
   44    HD2  HIS   6           2HD      HIS   6 -13.878   5.842   2.376
   45    HE1  HIS   6           1HE      HIS   6 -10.466   3.454   1.616
   46    HE2  HIS   6           2HE      HIS   6 -11.337   5.759   2.031
   47    H    HIS   7           H        HIS   7 -17.776   2.084   3.552
   48    HA   HIS   7           HA       HIS   7 -17.451   4.487   5.145
   49   1HB   HIS   7          2HB       HIS   7 -19.760   2.546   4.982
   50   2HB   HIS   7          1HB       HIS   7 -19.718   3.927   6.071
   51    HD1  HIS   7           1HD      HIS   7 -21.284   3.086   3.094
   52    HD2  HIS   7           2HD      HIS   7 -19.008   6.362   4.250
   53    HE1  HIS   7           1HE      HIS   7 -21.919   4.922   1.539
   54    HE2  HIS   7           2HE      HIS   7 -20.883   6.939   2.615
   55    H    HIS   8           H        HIS   8 -17.653   4.432   7.473
   56    HA   HIS   8           HA       HIS   8 -17.042   3.772   9.554
   57   1HB   HIS   8          2HB       HIS   8 -16.870   0.918   8.487
   58   2HB   HIS   8          1HB       HIS   8 -16.754   1.384  10.172
   59    HD1  HIS   8           1HD      HIS   8 -18.936   1.457  11.460
   60    HD2  HIS   8           2HD      HIS   8 -19.526   1.213   7.356
   61    HE1  HIS   8           1HE      HIS   8 -21.377   1.008  11.150
   62    HE2  HIS   8           2HE      HIS   8 -21.743   1.055   8.693
   63    H    LEU   9           H        LEU   9 -15.300   1.655   7.351
   64    HA   LEU   9           HA       LEU   9 -12.955   3.124   7.145
   65   1HB   LEU   9          2HB       LEU   9 -11.415   1.944   8.496
   66   2HB   LEU   9          1HB       LEU   9 -12.782   2.032   9.572
   67    HG   LEU   9           HG       LEU   9 -11.822  -0.359   8.004
   68   1HD1  LEU   9          1HD1      LEU   9 -10.507   0.088   9.912
   69   2HD1  LEU   9          2HD1      LEU   9 -11.459  -1.374  10.163
   70   3HD1  LEU   9          3HD1      LEU   9 -11.936   0.132  10.946
   71   1HD2  LEU   9          1HD2      LEU   9 -14.309  -0.214   9.745
   72   2HD2  LEU   9          2HD2      LEU   9 -13.561  -1.686   9.076
   73   3HD2  LEU   9          3HD2      LEU   9 -14.193  -0.460   7.987
   74    H    GLU  10           H        GLU  10 -11.407   1.269   5.943
   75    HA   GLU  10           HA       GLU  10 -13.314  -0.692   5.112
   76   1HB   GLU  10          2HB       GLU  10 -13.543   1.022   3.478
   77   2HB   GLU  10          1HB       GLU  10 -11.839   0.921   3.076
   78   1HG   GLU  10          2HG       GLU  10 -12.062  -1.281   2.276
   79   2HG   GLU  10          1HG       GLU  10 -13.680  -1.402   2.893
   80    H    GLU  11           H        GLU  11 -12.720  -2.680   5.190
   81    HA   GLU  11           HA       GLU  11 -10.010  -3.295   5.233
   82   1HB   GLU  11          2HB       GLU  11 -11.411  -4.453   6.736
   83   2HB   GLU  11          1HB       GLU  11 -12.555  -4.849   5.461
   84   1HG   GLU  11          2HG       GLU  11 -11.040  -6.259   4.411
   85   2HG   GLU  11          1HG       GLU  11  -9.709  -5.855   5.427
   86    H    PHE  12           H        PHE  12  -9.033  -3.494   3.494
   87    HA   PHE  12           HA       PHE  12 -10.345  -4.290   1.038
   88   1HB   PHE  12          2HB       PHE  12  -7.793  -3.121   1.867
   89   2HB   PHE  12          1HB       PHE  12  -8.065  -3.913   0.320
   90    HD1  PHE  12           1HD      PHE  12  -9.551  -2.717  -1.338
   91    HD2  PHE  12           2HD      PHE  12  -8.701  -0.995   2.458
   92    HE1  PHE  12           1HE      PHE  12 -10.430  -0.562  -2.119
   93    HE2  PHE  12           2HE      PHE  12  -9.580   1.159   1.684
   94    HZ   PHE  12           HZ       PHE  12 -10.445   1.379  -0.605
   95    H    THR  13           H        THR  13  -9.743  -6.179   0.093
   96    HA   THR  13           HA       THR  13  -7.702  -7.654   1.529
   97    HB   THR  13           HB       THR  13  -9.533  -8.748  -0.634
   98    HG1  THR  13           1HG      THR  13 -10.743  -7.960   1.283
   99   1HG2  THR  13          1HG2      THR  13  -8.935 -10.893   0.446
  100   2HG2  THR  13          2HG2      THR  13  -7.920  -9.965   1.579
  101   3HG2  THR  13          3HG2      THR  13  -7.515  -9.995  -0.125
  102    H    ALA  14           H        ALA  14  -6.011  -8.524   0.205
  103    HA   ALA  14           HA       ALA  14  -4.948  -6.333  -1.271
  104   1HB   ALA  14          1HB       ALA  14  -3.653  -9.040  -1.085
  105   2HB   ALA  14          2HB       ALA  14  -3.544  -7.754   0.124
  106   3HB   ALA  14          3HB       ALA  14  -2.894  -7.500  -1.493
  107    H    GLU  15           H        GLU  15  -5.895  -9.507  -2.457
  108    HA   GLU  15           HA       GLU  15  -5.109  -9.117  -5.151
  109   1HB   GLU  15          2HB       GLU  15  -5.874 -11.275  -3.898
  110   2HB   GLU  15          1HB       GLU  15  -7.502 -10.730  -4.223
  111   1HG   GLU  15          2HG       GLU  15  -5.436 -11.437  -6.309
  112   2HG   GLU  15          1HG       GLU  15  -6.734 -12.482  -5.765
  113    H    GLN  16           H        GLN  16  -7.920  -8.298  -3.328
  114    HA   GLN  16           HA       GLN  16  -9.479  -7.352  -5.482
  115   1HB   GLN  16          2HB       GLN  16  -9.778  -7.199  -2.530
  116   2HB   GLN  16          1HB       GLN  16 -10.947  -6.483  -3.643
  117   1HG   GLN  16          2HG       GLN  16 -11.504  -8.563  -4.573
  118   2HG   GLN  16          1HG       GLN  16 -10.058  -9.302  -3.865
  119   1HE2  GLN  16          1HE2      GLN  16 -10.062  -9.984  -1.930
  120   2HE2  GLN  16          2HE2      GLN  16 -11.379  -9.993  -0.856
  121    H    LEU  17           H        LEU  17  -7.307  -5.922  -3.162
  122    HA   LEU  17           HA       LEU  17  -7.876  -3.192  -3.568
  123   1HB   LEU  17          2HB       LEU  17  -6.552  -3.982  -1.677
  124   2HB   LEU  17          1HB       LEU  17  -5.298  -4.540  -2.766
  125    HG   LEU  17           HG       LEU  17  -4.932  -2.177  -3.465
  126   1HD1  LEU  17          1HD1      LEU  17  -7.056  -1.232  -2.892
  127   2HD1  LEU  17          2HD1      LEU  17  -5.736  -0.416  -2.028
  128   3HD1  LEU  17          3HD1      LEU  17  -6.754  -1.584  -1.181
  129   1HD2  LEU  17          1HD2      LEU  17  -4.587  -2.762  -0.545
  130   2HD2  LEU  17          2HD2      LEU  17  -3.781  -1.491  -1.479
  131   3HD2  LEU  17          3HD2      LEU  17  -3.481  -3.195  -1.865
  132    H    SER  18           H        SER  18  -6.110  -5.536  -5.355
  133    HA   SER  18           HA       SER  18  -4.430  -3.845  -6.896
  134   1HB   SER  18          2HB       SER  18  -4.195  -6.348  -6.387
  135   2HB   SER  18          1HB       SER  18  -5.418  -6.605  -7.601
  136    HG   SER  18           HG       SER  18  -3.136  -6.735  -8.204
  137    H    GLN  19           H        GLN  19  -7.446  -3.412  -6.835
  138    HA   GLN  19           HA       GLN  19  -7.900  -3.202  -9.747
  139   1HB   GLN  19          2HB       GLN  19 -10.035  -3.335  -7.615
  140   2HB   GLN  19          1HB       GLN  19 -10.247  -3.477  -9.353
  141   1HG   GLN  19          2HG       GLN  19  -8.932  -5.627  -9.252
  142   2HG   GLN  19          1HG       GLN  19  -8.902  -5.420  -7.529
  143   1HE2  GLN  19          1HE2      GLN  19 -10.713  -5.607  -6.314
  144   2HE2  GLN  19          2HE2      GLN  19 -12.139  -6.410  -6.875
  145    H    TYR  20           H        TYR  20  -6.994  -1.590  -7.089
  146    HA   TYR  20           HA       TYR  20  -8.447   0.904  -7.649
  147   1HB   TYR  20          2HB       TYR  20  -7.207  -0.218  -5.149
  148   2HB   TYR  20          1HB       TYR  20  -7.691   1.460  -5.248
  149    HD1  TYR  20           1HD      TYR  20  -8.797  -1.990  -4.925
  150    HD2  TYR  20           2HD      TYR  20 -10.101   2.024  -5.425
  151    HE1  TYR  20           1HE      TYR  20 -11.071  -2.656  -4.271
  152    HE2  TYR  20           2HE      TYR  20 -12.367   1.390  -4.775
  153    HH   TYR  20           HH       TYR  20 -13.050  -1.599  -3.326
  154    H    ASN  21           H        ASN  21  -6.193  -0.064  -9.115
  155    HA   ASN  21           HA       ASN  21  -3.805   1.305  -8.217
  156   1HB   ASN  21          2HB       ASN  21  -4.382   0.291 -11.007
  157   2HB   ASN  21          1HB       ASN  21  -2.809   0.641 -10.317
  158   1HD2  ASN  21          1HD2      ASN  21  -5.320  -1.630 -10.712
  159   2HD2  ASN  21          2HD2      ASN  21  -4.580  -2.955  -9.919
  160    H    GLY  22           H        GLY  22  -6.640   2.159  -9.818
  161   1HA   GLY  22          2HA       GLY  22  -7.270   4.283 -10.616
  162   2HA   GLY  22          1HA       GLY  22  -5.570   4.762 -10.588
  163    H    THR  23           H        THR  23  -6.584   1.779 -11.954
  164    HA   THR  23           HA       THR  23  -5.523   2.540 -14.555
  165    HB   THR  23           HB       THR  23  -6.343  -0.145 -13.420
  166    HG1  THR  23           1HG      THR  23  -4.009   1.358 -13.197
  167   1HG2  THR  23          1HG2      THR  23  -4.934  -1.072 -15.184
  168   2HG2  THR  23          2HG2      THR  23  -4.636   0.554 -15.817
  169   3HG2  THR  23          3HG2      THR  23  -6.264  -0.132 -15.855
  170    H    ASP  24           H        ASP  24  -8.317   1.293 -12.871
  171    HA   ASP  24           HA       ASP  24  -9.878   1.115 -15.330
  172   1HB   ASP  24          2HB       ASP  24 -10.413   0.093 -12.566
  173   2HB   ASP  24          1HB       ASP  24 -11.527  -0.024 -13.897
  174    H    GLU  25           H        GLU  25 -10.719   3.043 -15.790
  175    HA   GLU  25           HA       GLU  25 -12.087   4.802 -15.755
  176   1HB   GLU  25          2HB       GLU  25 -13.473   3.215 -13.599
  177   2HB   GLU  25          1HB       GLU  25 -14.177   4.603 -14.426
  178   1HG   GLU  25          2HG       GLU  25 -14.010   3.404 -16.558
  179   2HG   GLU  25          1HG       GLU  25 -13.333   2.014 -15.721
  180    H    SER  26           H        SER  26  -9.815   4.654 -13.831
  181    HA   SER  26           HA       SER  26  -8.732   6.062 -12.412
  182   1HB   SER  26          2HB       SER  26  -9.424   7.755 -14.034
  183   2HB   SER  26          1HB       SER  26 -10.972   7.942 -13.214
  184    HG   SER  26           HG       SER  26  -9.795   8.665 -11.397
  185    H    LYS  27           H        LYS  27 -10.571   4.184 -11.291
  186    HA   LYS  27           HA       LYS  27 -12.058   5.316  -9.174
  187   1HB   LYS  27          2HB       LYS  27 -10.727   2.613  -9.341
  188   2HB   LYS  27          1HB       LYS  27 -11.768   3.085  -8.015
  189   1HG   LYS  27          2HG       LYS  27 -13.516   3.520  -9.863
  190   2HG   LYS  27          1HG       LYS  27 -12.439   2.581 -10.866
  191   1HD   LYS  27          2HD       LYS  27 -13.497   1.575  -8.225
  192   2HD   LYS  27          1HD       LYS  27 -14.230   1.191  -9.775
  193   1HE   LYS  27          2HE       LYS  27 -11.396   0.554  -8.959
  194   2HE   LYS  27          1HE       LYS  27 -12.734  -0.593  -8.973
  195   1HZ   LYS  27          1HZ       LYS  27 -12.968  -0.230 -11.330
  196   2HZ   LYS  27          2HZ       LYS  27 -11.474  -0.831 -10.983
  197   3HZ   LYS  27          3HZ       LYS  27 -11.665   0.824 -11.359
  198    HA   PRO  28           HA       PRO  28  -9.422   6.875  -6.012
  199   1HB   PRO  28          2HB       PRO  28 -10.439   4.596  -4.378
  200   2HB   PRO  28          1HB       PRO  28 -10.249   6.299  -3.937
  201   1HG   PRO  28          2HG       PRO  28 -12.631   5.335  -4.569
  202   2HG   PRO  28          1HG       PRO  28 -12.138   6.948  -5.094
  203   1HD   PRO  28          2HD       PRO  28 -12.439   4.469  -6.670
  204   2HD   PRO  28          1HD       PRO  28 -12.572   6.158  -7.189
  205    H    ILE  29           H        ILE  29  -7.418   6.601  -5.411
  206    HA   ILE  29           HA       ILE  29  -6.151   4.058  -6.096
  207    HB   ILE  29           HB       ILE  29  -4.807   6.790  -5.808
  208   1HG1  ILE  29          2HG1      ILE  29  -4.522   6.715  -8.300
  209   2HG1  ILE  29          1HG1      ILE  29  -5.666   5.373  -8.362
  210   1HG2  ILE  29          1HG2      ILE  29  -3.325   4.886  -5.446
  211   2HG2  ILE  29          2HG2      ILE  29  -2.927   5.725  -6.949
  212   3HG2  ILE  29          3HG2      ILE  29  -3.824   4.212  -6.996
  213   1HD1  ILE  29          1HD1      ILE  29  -6.154   8.200  -7.486
  214   2HD1  ILE  29          2HD1      ILE  29  -7.377   6.921  -7.476
  215   3HD1  ILE  29          3HD1      ILE  29  -6.669   7.472  -9.004
  216    H    TYR  30           H        TYR  30  -4.815   3.035  -4.483
  217    HA   TYR  30           HA       TYR  30  -4.773   4.327  -1.931
  218   1HB   TYR  30          2HB       TYR  30  -5.969   1.612  -2.483
  219   2HB   TYR  30          1HB       TYR  30  -5.540   2.209  -0.886
  220    HD1  TYR  30           1HD      TYR  30  -6.700   4.407  -0.164
  221    HD2  TYR  30           2HD      TYR  30  -8.113   1.921  -3.293
  222    HE1  TYR  30           1HE      TYR  30  -8.928   5.392   0.072
  223    HE2  TYR  30           2HE      TYR  30 -10.357   2.903  -3.068
  224    HH   TYR  30           HH       TYR  30 -10.907   5.728  -1.325
  225    H    VAL  31           H        VAL  31  -3.162   3.596  -0.730
  226    HA   VAL  31           HA       VAL  31  -1.558   1.485  -1.856
  227    HB   VAL  31           HB       VAL  31  -0.316   3.475  -2.503
  228   1HG1  VAL  31          1HG1      VAL  31  -0.460   4.346   0.358
  229   2HG1  VAL  31          2HG1      VAL  31  -1.311   5.067  -1.036
  230   3HG1  VAL  31          3HG1      VAL  31   0.458   5.089  -0.963
  231   1HG2  VAL  31          1HG2      VAL  31   1.705   3.214  -1.210
  232   2HG2  VAL  31          2HG2      VAL  31   0.926   1.694  -1.787
  233   3HG2  VAL  31          3HG2      VAL  31   0.788   2.177  -0.080
  234    H    ALA  32           H        ALA  32  -1.035   0.036  -0.450
  235    HA   ALA  32           HA       ALA  32  -1.727   0.643   2.310
  236   1HB   ALA  32          1HB       ALA  32  -2.154  -1.712   2.591
  237   2HB   ALA  32          2HB       ALA  32  -1.606  -2.017   0.943
  238   3HB   ALA  32          3HB       ALA  32  -3.075  -1.092   1.218
  239    H    ILE  33           H        ILE  33  -0.331   0.266   3.866
  240    HA   ILE  33           HA       ILE  33   2.220  -0.958   3.151
  241    HB   ILE  33           HB       ILE  33   1.923   1.592   4.749
  242   1HG1  ILE  33          2HG1      ILE  33   3.277   1.042   2.109
  243   2HG1  ILE  33          1HG1      ILE  33   1.781   1.938   2.312
  244   1HG2  ILE  33          1HG2      ILE  33   4.367  -0.044   4.151
  245   2HG2  ILE  33          2HG2      ILE  33   3.608   0.162   5.724
  246   3HG2  ILE  33          3HG2      ILE  33   4.371   1.547   4.905
  247   1HD1  ILE  33          1HD1      ILE  33   3.632   3.406   1.958
  248   2HD1  ILE  33          2HD1      ILE  33   4.479   2.690   3.346
  249   3HD1  ILE  33          3HD1      ILE  33   2.995   3.622   3.594
  250    H    LYS  34           H        LYS  34   2.415  -2.648   4.322
  251    HA   LYS  34           HA       LYS  34   2.524  -4.066   5.988
  252   1HB   LYS  34          2HB       LYS  34   3.914  -2.208   6.951
  253   2HB   LYS  34          1HB       LYS  34   2.480  -1.592   7.753
  254   1HG   LYS  34          2HG       LYS  34   2.317  -3.543   9.066
  255   2HG   LYS  34          1HG       LYS  34   3.676  -4.311   8.235
  256   1HD   LYS  34          2HD       LYS  34   5.151  -2.529   9.062
  257   2HD   LYS  34          1HD       LYS  34   3.779  -1.784   9.891
  258   1HE   LYS  34          2HE       LYS  34   4.868  -4.544  10.415
  259   2HE   LYS  34          1HE       LYS  34   5.162  -3.123  11.414
  260   1HZ   LYS  34          1HZ       LYS  34   2.490  -4.312  10.882
  261   2HZ   LYS  34          2HZ       LYS  34   2.827  -2.990  11.894
  262   3HZ   LYS  34          3HZ       LYS  34   3.401  -4.523  12.290
  263    H    GLY  35           H        GLY  35   0.005  -3.150   4.905
  264   1HA   GLY  35          2HA       GLY  35  -2.021  -4.238   5.232
  265   2HA   GLY  35          1HA       GLY  35  -1.749  -4.347   6.923
  266    H    ARG  36           H        ARG  36  -0.937  -1.226   6.109
  267    HA   ARG  36           HA       ARG  36  -3.614  -0.345   6.910
  268   1HB   ARG  36          2HB       ARG  36  -1.036   1.237   6.931
  269   2HB   ARG  36          1HB       ARG  36  -2.562   1.681   7.688
  270   1HG   ARG  36          2HG       ARG  36  -2.332  -0.327   9.152
  271   2HG   ARG  36          1HG       ARG  36  -0.735  -0.562   8.423
  272   1HD   ARG  36          2HD       ARG  36  -1.641   1.837  10.021
  273   2HD   ARG  36          1HD       ARG  36  -0.546   0.574  10.571
  274    HE   ARG  36           HE       ARG  36   0.059   2.810   8.865
  275   1HH1  ARG  36          1HH1      ARG  36   1.202  -0.452   9.868
  276   2HH1  ARG  36          2HH1      ARG  36   2.821  -0.013   9.500
  277   1HH2  ARG  36          1HH2      ARG  36   2.238   3.221   8.459
  278   2HH2  ARG  36          2HH2      ARG  36   3.407   1.953   8.738
  279    H    VAL  37           H        VAL  37  -4.848   0.555   5.408
  280    HA   VAL  37           HA       VAL  37  -3.660   1.154   2.828
  281    HB   VAL  37           HB       VAL  37  -6.566   0.931   3.673
  282   1HG1  VAL  37          1HG1      VAL  37  -7.106   1.138   1.298
  283   2HG1  VAL  37          2HG1      VAL  37  -5.401   1.430   0.936
  284   3HG1  VAL  37          3HG1      VAL  37  -6.317   2.602   1.896
  285   1HG2  VAL  37          1HG2      VAL  37  -5.336  -1.173   3.527
  286   2HG2  VAL  37          2HG2      VAL  37  -4.859  -0.761   1.874
  287   3HG2  VAL  37          3HG2      VAL  37  -6.551  -1.036   2.256
  288    H    PHE  38           H        PHE  38  -3.127   3.078   2.256
  289    HA   PHE  38           HA       PHE  38  -4.248   5.422   3.623
  290   1HB   PHE  38          2HB       PHE  38  -1.845   5.015   1.911
  291   2HB   PHE  38          1HB       PHE  38  -2.281   6.569   2.613
  292    HD1  PHE  38           1HD      PHE  38  -1.806   7.007   4.928
  293    HD2  PHE  38           2HD      PHE  38  -0.959   3.200   3.253
  294    HE1  PHE  38           1HE      PHE  38  -0.447   6.449   6.885
  295    HE2  PHE  38           2HE      PHE  38   0.398   2.633   5.226
  296    HZ   PHE  38           HZ       PHE  38   0.661   4.258   7.033
  297    H    ASP  39           H        ASP  39  -5.102   7.064   2.326
  298    HA   ASP  39           HA       ASP  39  -5.856   6.253  -0.387
  299   1HB   ASP  39          2HB       ASP  39  -7.622   7.194   1.100
  300   2HB   ASP  39          1HB       ASP  39  -6.725   8.708   1.178
  301    H    VAL  40           H        VAL  40  -4.781   6.911  -2.082
  302    HA   VAL  40           HA       VAL  40  -3.243   9.395  -1.872
  303    HB   VAL  40           HB       VAL  40  -1.736   8.438  -3.718
  304   1HG1  VAL  40          1HG1      VAL  40  -0.969   8.735  -1.454
  305   2HG1  VAL  40          2HG1      VAL  40  -0.317   7.267  -2.174
  306   3HG1  VAL  40          3HG1      VAL  40  -1.640   7.163  -0.995
  307   1HG2  VAL  40          1HG2      VAL  40  -2.936   5.862  -2.733
  308   2HG2  VAL  40          2HG2      VAL  40  -1.549   6.012  -3.819
  309   3HG2  VAL  40          3HG2      VAL  40  -3.145   6.574  -4.330
  310    H    THR  41           H        THR  41  -6.009   8.829  -2.773
  311    HA   THR  41           HA       THR  41  -6.040   9.241  -5.579
  312    HB   THR  41           HB       THR  41  -8.198   9.977  -3.564
  313    HG1  THR  41           1HG      THR  41  -8.114   7.907  -3.157
  314   1HG2  THR  41          1HG2      THR  41  -8.309   9.132  -6.463
  315   2HG2  THR  41          2HG2      THR  41  -8.577  10.773  -5.864
  316   3HG2  THR  41          3HG2      THR  41  -9.714   9.486  -5.454
  317    H    THR  42           H        THR  42  -5.635  11.159  -2.774
  318    HA   THR  42           HA       THR  42  -6.112  13.718  -3.865
  319    HB   THR  42           HB       THR  42  -6.031  13.334  -1.432
  320    HG1  THR  42           1HG      THR  42  -5.519  15.414  -2.253
  321   1HG2  THR  42          1HG2      THR  42  -3.877  13.015  -0.261
  322   2HG2  THR  42          2HG2      THR  42  -3.066  12.862  -1.821
  323   3HG2  THR  42          3HG2      THR  42  -4.250  11.657  -1.322
  324    H    GLY  43           H        GLY  43  -3.526  11.455  -4.187
  325   1HA   GLY  43          2HA       GLY  43  -1.897  13.463  -5.590
  326   2HA   GLY  43          1HA       GLY  43  -1.209  12.108  -4.697
  327    H    LYS  44           H        LYS  44  -4.051  12.065  -6.687
  328    HA   LYS  44           HA       LYS  44  -3.438   9.672  -7.996
  329   1HB   LYS  44          2HB       LYS  44  -5.723  10.427  -7.694
  330   2HB   LYS  44          1HB       LYS  44  -5.425  11.850  -8.652
  331   1HG   LYS  44          2HG       LYS  44  -5.234   9.114  -9.879
  332   2HG   LYS  44          1HG       LYS  44  -6.799   9.882  -9.650
  333   1HD   LYS  44          2HD       LYS  44  -5.984  11.802 -10.961
  334   2HD   LYS  44          1HD       LYS  44  -4.475  10.940 -11.262
  335   1HE   LYS  44          2HE       LYS  44  -5.653   9.192 -12.435
  336   2HE   LYS  44          1HE       LYS  44  -7.206   9.909 -12.013
  337   1HZ   LYS  44          1HZ       LYS  44  -6.618  11.845 -13.363
  338   2HZ   LYS  44          2HZ       LYS  44  -6.591  10.447 -14.284
  339   3HZ   LYS  44          3HZ       LYS  44  -5.148  11.139 -13.784
  340    H    SER  45           H        SER  45  -2.609  12.911  -8.798
  341    HA   SER  45           HA       SER  45  -1.945  12.491 -11.520
  342   1HB   SER  45          2HB       SER  45  -0.826  14.532  -9.591
  343   2HB   SER  45          1HB       SER  45  -0.853  14.647 -11.353
  344    HG   SER  45           HG       SER  45  -3.192  14.530 -11.171
  345    H    PHE  46           H        PHE  46  -0.370  11.668  -8.546
  346    HA   PHE  46           HA       PHE  46   2.214  11.301  -9.897
  347   1HB   PHE  46          2HB       PHE  46   1.590  11.466  -6.946
  348   2HB   PHE  46          1HB       PHE  46   3.184  11.178  -7.613
  349    HD1  PHE  46           1HD      PHE  46   4.317  12.977  -8.892
  350    HD2  PHE  46           2HD      PHE  46   0.664  13.639  -6.813
  351    HE1  PHE  46           1HE      PHE  46   4.716  15.406  -8.973
  352    HE2  PHE  46           2HE      PHE  46   1.056  16.067  -6.892
  353    HZ   PHE  46           HZ       PHE  46   3.083  16.951  -7.974
  354    H    TYR  47           H        TYR  47  -0.278   9.593  -8.046
  355    HA   TYR  47           HA       TYR  47   1.349   7.159  -8.136
  356   1HB   TYR  47          2HB       TYR  47  -1.057   7.920  -6.501
  357   2HB   TYR  47          1HB       TYR  47  -0.349   6.319  -6.469
  358    HD1  TYR  47           1HD      TYR  47   0.344   9.901  -5.791
  359    HD2  TYR  47           2HD      TYR  47   1.500   5.881  -5.041
  360    HE1  TYR  47           1HE      TYR  47   1.876  10.677  -4.050
  361    HE2  TYR  47           2HE      TYR  47   3.050   6.653  -3.288
  362    HH   TYR  47           HH       TYR  47   2.890   9.786  -2.072
  363    H    GLY  48           H        GLY  48  -1.450   8.575  -9.585
  364   1HA   GLY  48          2HA       GLY  48  -3.113   6.315  -9.602
  365   2HA   GLY  48          1HA       GLY  48  -3.337   7.773 -10.533
  366    H    SER  49           H        SER  49  -2.725   7.732 -12.663
  367    HA   SER  49           HA       SER  49  -3.122   5.037 -13.700
  368   1HB   SER  49          2HB       SER  49  -3.263   7.677 -15.118
  369   2HB   SER  49          1HB       SER  49  -3.779   6.122 -15.780
  370    HG   SER  49           HG       SER  49  -5.206   6.023 -13.892
  371    H    GLY  50           H        GLY  50  -0.721   7.528 -13.894
  372   1HA   GLY  50          2HA       GLY  50   1.159   5.683 -15.022
  373   2HA   GLY  50          1HA       GLY  50   0.690   6.987 -16.116
  374    H    GLY  51           H        GLY  51   1.195   6.808 -12.661
  375   1HA   GLY  51          2HA       GLY  51   2.607   9.309 -12.845
  376   2HA   GLY  51          1HA       GLY  51   1.982   8.567 -11.387
  377    H    ASP  52           H        ASP  52   4.445   9.446 -11.198
  378    HA   ASP  52           HA       ASP  52   6.392   7.447 -11.914
  379   1HB   ASP  52          2HB       ASP  52   6.972   9.861 -11.849
  380   2HB   ASP  52          1HB       ASP  52   6.676   9.870 -10.118
  381    H    TYR  53           H        TYR  53   4.167   7.797  -9.441
  382    HA   TYR  53           HA       TYR  53   5.702   6.065  -7.626
  383   1HB   TYR  53          2HB       TYR  53   3.509   8.055  -7.023
  384   2HB   TYR  53          1HB       TYR  53   4.217   6.965  -5.839
  385    HD1  TYR  53           1HD      TYR  53   4.808   9.921  -7.943
  386    HD2  TYR  53           2HD      TYR  53   6.376   7.406  -4.901
  387    HE1  TYR  53           1HE      TYR  53   6.544  11.588  -7.470
  388    HE2  TYR  53           2HE      TYR  53   8.118   9.062  -4.419
  389    HH   TYR  53           HH       TYR  53   7.986  12.216  -5.657
  390    H    SER  54           H        SER  54   3.837   5.578  -9.985
  391    HA   SER  54           HA       SER  54   1.433   4.518  -9.060
  392   1HB   SER  54          2HB       SER  54   2.984   4.176 -11.560
  393   2HB   SER  54          1HB       SER  54   1.478   3.301 -11.299
  394    HG   SER  54           HG       SER  54   0.537   5.365 -10.859
  395    H    MET  55           H        MET  55   4.460   3.212  -8.543
  396    HA   MET  55           HA       MET  55   3.964   0.444  -8.838
  397   1HB   MET  55          2HB       MET  55   5.726   1.751  -6.769
  398   2HB   MET  55          1HB       MET  55   5.824   0.097  -7.338
  399   1HG   MET  55          2HG       MET  55   7.563   1.219  -8.340
  400   2HG   MET  55          1HG       MET  55   6.325   1.041  -9.593
  401   1HE   MET  55          1HE       MET  55   7.546   2.847 -11.098
  402   2HE   MET  55          2HE       MET  55   8.788   3.099  -9.865
  403   3HE   MET  55          3HE       MET  55   7.942   4.479 -10.558
  404    H    PHE  56           H        PHE  56   3.252   2.773  -6.395
  405    HA   PHE  56           HA       PHE  56   2.573   0.884  -4.328
  406   1HB   PHE  56          2HB       PHE  56   2.144   3.852  -4.513
  407   2HB   PHE  56          1HB       PHE  56   1.968   2.870  -3.073
  408    HD1  PHE  56           1HD      PHE  56   4.016   5.115  -4.629
  409    HD2  PHE  56           2HD      PHE  56   4.203   1.355  -2.665
  410    HE1  PHE  56           1HE      PHE  56   6.363   5.516  -4.109
  411    HE2  PHE  56           2HE      PHE  56   6.546   1.741  -2.128
  412    HZ   PHE  56           HZ       PHE  56   7.656   3.831  -2.852
  413    H    ALA  57           H        ALA  57   0.985   2.719  -6.755
  414    HA   ALA  57           HA       ALA  57  -1.579   3.000  -5.783
  415   1HB   ALA  57          1HB       ALA  57  -0.707   2.603  -8.618
  416   2HB   ALA  57          2HB       ALA  57  -0.728   4.133  -7.741
  417   3HB   ALA  57          3HB       ALA  57  -2.239   3.292  -8.094
  418    H    GLY  58           H        GLY  58  -2.793   1.369  -5.011
  419   1HA   GLY  58          2HA       GLY  58  -4.512  -0.173  -5.505
  420   2HA   GLY  58          1HA       GLY  58  -3.655  -0.608  -6.969
  421    H    LYS  59           H        LYS  59  -1.573  -0.386  -4.381
  422    HA   LYS  59           HA       LYS  59  -1.798  -3.213  -3.845
  423   1HB   LYS  59          2HB       LYS  59   0.196  -1.722  -5.253
  424   2HB   LYS  59          1HB       LYS  59   0.814  -2.784  -4.009
  425   1HG   LYS  59          2HG       LYS  59  -0.107  -4.646  -4.983
  426   2HG   LYS  59          1HG       LYS  59  -1.152  -3.706  -6.072
  427   1HD   LYS  59          2HD       LYS  59   1.830  -3.668  -6.077
  428   2HD   LYS  59          1HD       LYS  59   0.856  -4.764  -7.044
  429   1HE   LYS  59          2HE       LYS  59  -0.244  -2.784  -8.096
  430   2HE   LYS  59          1HE       LYS  59   0.769  -1.735  -7.115
  431   1HZ   LYS  59          1HZ       LYS  59   1.598  -1.960  -9.373
  432   2HZ   LYS  59          2HZ       LYS  59   1.742  -3.611  -9.201
  433   3HZ   LYS  59          3HZ       LYS  59   2.710  -2.576  -8.278
  434    H    ASP  60           H        ASP  60  -0.595  -3.876  -2.198
  435    HA   ASP  60           HA       ASP  60   0.178  -1.906  -0.178
  436   1HB   ASP  60          2HB       ASP  60  -1.113  -3.931   0.593
  437   2HB   ASP  60          1HB       ASP  60   0.173  -4.938  -0.046
  438    H    ALA  61           H        ALA  61   2.302  -1.668   0.289
  439    HA   ALA  61           HA       ALA  61   4.074  -2.963  -1.672
  440   1HB   ALA  61          1HB       ALA  61   3.540  -0.717  -2.281
  441   2HB   ALA  61          2HB       ALA  61   5.260  -0.855  -1.895
  442   3HB   ALA  61          3HB       ALA  61   4.141  -0.112  -0.742
  443    H    SER  62           H        SER  62   3.627  -3.729   1.168
  444    HA   SER  62           HA       SER  62   5.579  -2.797   2.875
  445   1HB   SER  62          2HB       SER  62   4.493  -5.605   2.704
  446   2HB   SER  62          1HB       SER  62   5.359  -4.908   4.076
  447    HG   SER  62           HG       SER  62   2.854  -4.217   3.008
  448    H    ARG  63           H        ARG  63   5.848  -5.543   0.643
  449    HA   ARG  63           HA       ARG  63   8.559  -6.079   1.304
  450   1HB   ARG  63          2HB       ARG  63   7.338  -7.887   0.474
  451   2HB   ARG  63          1HB       ARG  63   6.758  -6.998  -0.910
  452   1HG   ARG  63          2HG       ARG  63   9.045  -7.030  -1.848
  453   2HG   ARG  63          1HG       ARG  63   9.598  -7.928  -0.434
  454   1HD   ARG  63          2HD       ARG  63   8.285  -9.782  -0.988
  455   2HD   ARG  63          1HD       ARG  63   7.405  -8.907  -2.253
  456    HE   ARG  63           HE       ARG  63  10.060  -8.812  -2.964
  457   1HH1  ARG  63          1HH1      ARG  63   7.766 -11.448  -2.374
  458   2HH1  ARG  63          2HH1      ARG  63   8.451 -12.488  -3.524
  459   1HH2  ARG  63          1HH2      ARG  63  10.964 -10.159  -4.514
  460   2HH2  ARG  63          2HH2      ARG  63  10.364 -11.749  -4.788
  461    H    ALA  64           H        ALA  64   7.051  -3.911  -0.933
  462    HA   ALA  64           HA       ALA  64   9.318  -3.694  -2.692
  463   1HB   ALA  64          1HB       ALA  64   8.035  -1.855  -3.722
  464   2HB   ALA  64          2HB       ALA  64   6.837  -1.990  -2.434
  465   3HB   ALA  64          3HB       ALA  64   7.075  -3.323  -3.562
  466    H    LEU  65           H        LEU  65   7.914  -2.075  -0.021
  467    HA   LEU  65           HA       LEU  65   9.600   0.190  -0.005
  468   1HB   LEU  65          2HB       LEU  65   7.863  -1.109   2.007
  469   2HB   LEU  65          1HB       LEU  65   8.767   0.348   2.336
  470    HG   LEU  65           HG       LEU  65   6.552   0.022   0.307
  471   1HD1  LEU  65          1HD1      LEU  65   5.786   0.138   2.594
  472   2HD1  LEU  65          2HD1      LEU  65   5.408   1.630   1.730
  473   3HD1  LEU  65          3HD1      LEU  65   6.739   1.589   2.874
  474   1HD2  LEU  65          1HD2      LEU  65   6.840   2.456   0.028
  475   2HD2  LEU  65          2HD2      LEU  65   8.234   1.497  -0.529
  476   3HD2  LEU  65          3HD2      LEU  65   8.278   2.295   1.053
  477    H    GLY  66           H        GLY  66   9.855  -2.957   1.478
  478   1HA   GLY  66          2HA       GLY  66  12.047  -2.114   3.099
  479   2HA   GLY  66          1HA       GLY  66  11.574  -3.774   2.857
  480    H    LYS  67           H        LYS  67  11.780  -3.514  -0.073
  481    HA   LYS  67           HA       LYS  67  14.661  -3.867  -0.185
  482   1HB   LYS  67          2HB       LYS  67  12.577  -4.440  -2.294
  483   2HB   LYS  67          1HB       LYS  67  14.271  -4.925  -2.326
  484   1HG   LYS  67          2HG       LYS  67  13.884  -6.290  -0.298
  485   2HG   LYS  67          1HG       LYS  67  12.170  -5.868  -0.375
  486   1HD   LYS  67          2HD       LYS  67  12.532  -8.051  -1.324
  487   2HD   LYS  67          1HD       LYS  67  12.042  -6.923  -2.587
  488   1HE   LYS  67          2HE       LYS  67  14.334  -6.687  -3.315
  489   2HE   LYS  67          1HE       LYS  67  14.874  -7.698  -1.974
  490   1HZ   LYS  67          1HZ       LYS  67  14.736  -8.889  -4.108
  491   2HZ   LYS  67          2HZ       LYS  67  13.050  -8.622  -4.134
  492   3HZ   LYS  67          3HZ       LYS  67  13.748  -9.561  -2.931
  493    H    MET  68           H        MET  68  12.173  -1.735  -1.299
  494    HA   MET  68           HA       MET  68  12.176   0.345  -2.032
  495   1HB   MET  68          2HB       MET  68  15.192   0.149  -2.329
  496   2HB   MET  68          1HB       MET  68  14.246   1.612  -2.602
  497   1HG   MET  68          2HG       MET  68  13.498   1.521  -0.254
  498   2HG   MET  68          1HG       MET  68  14.508   0.104  -0.025
  499   1HE   MET  68          1HE       MET  68  15.369   3.328  -2.148
  500   2HE   MET  68          2HE       MET  68  16.158   4.317  -0.917
  501   3HE   MET  68          3HE       MET  68  14.443   3.942  -0.779
  502    H    SER  69           H        SER  69  12.292  -2.191  -3.408
  503    HA   SER  69           HA       SER  69  12.943  -1.604  -6.149
  504   1HB   SER  69          2HB       SER  69  11.511  -3.903  -4.847
  505   2HB   SER  69          1HB       SER  69  12.148  -3.867  -6.484
  506    HG   SER  69           HG       SER  69  13.834  -4.680  -5.586
  507    H    LYS  70           H        LYS  70  11.717  -1.013  -7.603
  508    HA   LYS  70           HA       LYS  70   8.994  -0.185  -6.979
  509   1HB   LYS  70          2HB       LYS  70  11.018   0.541  -9.055
  510   2HB   LYS  70          1HB       LYS  70   9.395   1.207  -9.023
  511   1HG   LYS  70          2HG       LYS  70   9.780   2.445  -7.161
  512   2HG   LYS  70          1HG       LYS  70  10.994   1.319  -6.554
  513   1HD   LYS  70          2HD       LYS  70  12.581   2.076  -8.108
  514   2HD   LYS  70          1HD       LYS  70  11.400   3.027  -8.983
  515   1HE   LYS  70          2HE       LYS  70  12.823   4.463  -7.568
  516   2HE   LYS  70          1HE       LYS  70  11.168   4.485  -6.976
  517   1HZ   LYS  70          1HZ       LYS  70  13.355   2.809  -5.829
  518   2HZ   LYS  70          2HZ       LYS  70  11.778   2.942  -5.226
  519   3HZ   LYS  70          3HZ       LYS  70  12.796   4.261  -5.204
  520    H    ASN  71           H        ASN  71  10.807  -2.463  -8.655
  521    HA   ASN  71           HA       ASN  71   9.069  -3.027 -10.798
  522   1HB   ASN  71          2HB       ASN  71  10.041  -5.249 -10.799
  523   2HB   ASN  71          1HB       ASN  71  11.267  -3.965 -10.967
  524   1HD2  ASN  71          1HD2      ASN  71  10.122  -6.615  -9.113
  525   2HD2  ASN  71          2HD2      ASN  71  11.314  -6.575  -7.857
  526    H    GLU  72           H        GLU  72   7.507  -4.395 -11.077
  527    HA   GLU  72           HA       GLU  72   5.649  -4.646  -9.045
  528   1HB   GLU  72          2HB       GLU  72   4.469  -6.096 -10.571
  529   2HB   GLU  72          1HB       GLU  72   4.906  -4.538 -11.290
  530   1HG   GLU  72          2HG       GLU  72   6.787  -5.762 -12.419
  531   2HG   GLU  72          1HG       GLU  72   6.136  -7.258 -11.751
  532    H    GLU  73           H        GLU  73   8.084  -6.877 -10.053
  533    HA   GLU  73           HA       GLU  73   7.155  -9.307  -9.033
  534   1HB   GLU  73          2HB       GLU  73  10.006  -8.331  -8.974
  535   2HB   GLU  73          1HB       GLU  73   9.480  -9.990  -8.812
  536   1HG   GLU  73          2HG       GLU  73   8.640  -9.966 -11.082
  537   2HG   GLU  73          1HG       GLU  73   9.121  -8.274 -11.251
  538    H    ASP  74           H        ASP  74   8.552  -6.565  -7.320
  539    HA   ASP  74           HA       ASP  74   8.579  -8.174  -4.884
  540   1HB   ASP  74          2HB       ASP  74  10.144  -5.684  -5.551
  541   2HB   ASP  74          1HB       ASP  74  10.070  -6.376  -3.936
  542    H    VAL  75           H        VAL  75   6.447  -6.281  -6.304
  543    HA   VAL  75           HA       VAL  75   5.815  -4.824  -3.853
  544    HB   VAL  75           HB       VAL  75   4.242  -4.716  -6.460
  545   1HG1  VAL  75          1HG1      VAL  75   4.415  -2.826  -4.125
  546   2HG1  VAL  75          2HG1      VAL  75   3.054  -3.888  -4.479
  547   3HG1  VAL  75          3HG1      VAL  75   3.476  -2.556  -5.582
  548   1HG2  VAL  75          1HG2      VAL  75   6.542  -4.027  -6.893
  549   2HG2  VAL  75          2HG2      VAL  75   6.433  -2.857  -5.564
  550   3HG2  VAL  75          3HG2      VAL  75   5.429  -2.657  -6.998
  551    H    SER  76           H        SER  76   4.171  -5.401  -2.540
  552    HA   SER  76           HA       SER  76   2.225  -7.331  -2.949
  553   1HB   SER  76          2HB       SER  76   4.155  -8.792  -3.468
  554   2HB   SER  76          1HB       SER  76   4.839  -8.451  -1.890
  555    HG   SER  76           HG       SER  76   2.890 -10.200  -2.600
  556    HA   PRO  77           HA       PRO  77   1.378  -5.904   1.256
  557   1HB   PRO  77          2HB       PRO  77  -0.231  -7.951   2.074
  558   2HB   PRO  77          1HB       PRO  77  -0.778  -6.667   0.991
  559   1HG   PRO  77          2HG       PRO  77   0.190  -9.420   0.312
  560   2HG   PRO  77          1HG       PRO  77  -1.228  -8.554  -0.304
  561   1HD   PRO  77          2HD       PRO  77   1.012  -8.696  -1.735
  562   2HD   PRO  77          1HD       PRO  77   0.054  -7.197  -1.697
  563    H    SER  78           H        SER  78   2.788  -8.912   0.570
  564    HA   SER  78           HA       SER  78   3.359  -9.423   3.370
  565   1HB   SER  78          2HB       SER  78   3.749 -11.086   0.899
  566   2HB   SER  78          1HB       SER  78   4.145 -11.605   2.535
  567    HG   SER  78           HG       SER  78   1.659 -11.353   1.306
  568    H    LEU  79           H        LEU  79   5.284  -8.972   4.221
  569    HA   LEU  79           HA       LEU  79   7.321  -8.032   2.455
  570   1HB   LEU  79          2HB       LEU  79   8.661  -7.666   4.724
  571   2HB   LEU  79          1HB       LEU  79   7.455  -6.532   4.165
  572    HG   LEU  79           HG       LEU  79   6.853  -8.662   6.243
  573   1HD1  LEU  79          1HD1      LEU  79   8.706  -7.216   7.006
  574   2HD1  LEU  79          2HD1      LEU  79   7.218  -6.833   7.872
  575   3HD1  LEU  79          3HD1      LEU  79   7.777  -5.788   6.574
  576   1HD2  LEU  79          1HD2      LEU  79   4.983  -7.510   5.020
  577   2HD2  LEU  79          2HD2      LEU  79   5.623  -5.991   5.639
  578   3HD2  LEU  79          3HD2      LEU  79   5.008  -7.203   6.763
  579    H    GLU  80           H        GLU  80   6.534 -10.940   3.323
  580    HA   GLU  80           HA       GLU  80   7.345 -12.860   2.784
  581   1HB   GLU  80          2HB       GLU  80   7.649 -11.843   0.692
  582   2HB   GLU  80          1HB       GLU  80   9.224 -11.205   1.122
  583   1HG   GLU  80          2HG       GLU  80   9.487 -13.087  -0.331
  584   2HG   GLU  80          1HG       GLU  80  10.019 -13.418   1.337
  585    H    GLY  81           H        GLY  81  10.673 -11.778   2.476
  586   1HA   GLY  81          2HA       GLY  81  11.135 -13.278   4.872
  587   2HA   GLY  81          1HA       GLY  81  12.058 -13.655   3.421
  588    H    LEU  82           H        LEU  82  11.226 -10.401   4.005
  589    HA   LEU  82           HA       LEU  82  13.797  -9.429   3.977
  590   1HB   LEU  82          2HB       LEU  82  11.201  -8.305   4.942
  591   2HB   LEU  82          1HB       LEU  82  12.674  -7.358   4.801
  592    HG   LEU  82           HG       LEU  82  11.515  -8.828   2.441
  593   1HD1  LEU  82          1HD1      LEU  82  11.045  -6.032   3.409
  594   2HD1  LEU  82          2HD1      LEU  82   9.852  -7.380   3.205
  595   3HD1  LEU  82          3HD1      LEU  82  10.623  -6.665   1.796
  596   1HD2  LEU  82          1HD2      LEU  82  12.887  -7.332   1.209
  597   2HD2  LEU  82          2HD2      LEU  82  13.909  -8.010   2.524
  598   3HD2  LEU  82          3HD2      LEU  82  13.163  -6.419   2.679
  599    H    THR  83           H        THR  83  15.233  -9.075   5.454
  600    HA   THR  83           HA       THR  83  14.771 -10.049   8.106
  601    HB   THR  83           HB       THR  83  16.875 -10.650   7.004
  602    HG1  THR  83           1HG      THR  83  17.432 -10.660   9.026
  603   1HG2  THR  83          1HG2      THR  83  17.454  -7.696   6.989
  604   2HG2  THR  83          2HG2      THR  83  17.196  -8.719   5.575
  605   3HG2  THR  83          3HG2      THR  83  18.626  -8.949   6.585
  606    H    GLU  84           H        GLU  84  16.072  -8.532   9.797
  607    HA   GLU  84           HA       GLU  84  14.119  -6.671  10.484
  608   1HB   GLU  84          2HB       GLU  84  15.917  -7.961  11.874
  609   2HB   GLU  84          1HB       GLU  84  16.914  -6.557  11.582
  610   1HG   GLU  84          2HG       GLU  84  14.216  -6.450  12.871
  611   2HG   GLU  84          1HG       GLU  84  15.702  -6.626  13.815
  612    H    LYS  85           H        LYS  85  17.394  -6.024   9.125
  613    HA   LYS  85           HA       LYS  85  17.227  -3.186   9.096
  614   1HB   LYS  85          2HB       LYS  85  18.953  -3.238   7.352
  615   2HB   LYS  85          1HB       LYS  85  19.343  -4.333   8.679
  616   1HG   LYS  85          2HG       LYS  85  18.701  -6.207   7.448
  617   2HG   LYS  85          1HG       LYS  85  17.892  -5.242   6.273
  618   1HD   LYS  85          2HD       LYS  85  19.664  -4.410   5.326
  619   2HD   LYS  85          1HD       LYS  85  20.885  -4.909   6.556
  620   1HE   LYS  85          2HE       LYS  85  20.376  -7.268   5.757
  621   2HE   LYS  85          1HE       LYS  85  19.320  -6.567   4.533
  622   1HZ   LYS  85          1HZ       LYS  85  21.218  -5.411   3.607
  623   2HZ   LYS  85          2HZ       LYS  85  21.511  -7.074   3.628
  624   3HZ   LYS  85          3HZ       LYS  85  22.243  -6.076   4.772
  625    H    GLU  86           H        GLU  86  16.079  -5.604   6.790
  626    HA   GLU  86           HA       GLU  86  15.721  -3.875   4.608
  627   1HB   GLU  86          2HB       GLU  86  14.684  -6.563   5.363
  628   2HB   GLU  86          1HB       GLU  86  14.352  -5.768   3.839
  629   1HG   GLU  86          2HG       GLU  86  17.065  -6.576   4.887
  630   2HG   GLU  86          1HG       GLU  86  16.152  -7.425   3.647
  631    H    ILE  87           H        ILE  87  13.748  -5.380   7.001
  632    HA   ILE  87           HA       ILE  87  11.350  -4.213   6.290
  633    HB   ILE  87           HB       ILE  87  12.470  -5.259   8.811
  634   1HG1  ILE  87          2HG1      ILE  87  10.555  -6.446   6.818
  635   2HG1  ILE  87          1HG1      ILE  87  12.219  -6.878   7.081
  636   1HG2  ILE  87          1HG2      ILE  87  10.092  -5.326   9.653
  637   2HG2  ILE  87          2HG2      ILE  87   9.639  -4.512   8.133
  638   3HG2  ILE  87          3HG2      ILE  87  10.668  -3.673   9.307
  639   1HD1  ILE  87          1HD1      ILE  87   9.999  -7.242   9.079
  640   2HD1  ILE  87          2HD1      ILE  87  11.686  -7.697   9.322
  641   3HD1  ILE  87          3HD1      ILE  87  10.718  -8.517   8.092
  642    H    ASN  88           H        ASN  88  14.022  -3.106   8.424
  643    HA   ASN  88           HA       ASN  88  12.776  -0.802   9.445
  644   1HB   ASN  88          2HB       ASN  88  15.609  -1.434   8.905
  645   2HB   ASN  88          1HB       ASN  88  15.155   0.246   9.190
  646   1HD2  ASN  88          1HD2      ASN  88  15.339  -2.923  10.509
  647   2HD2  ASN  88          2HD2      ASN  88  15.120  -2.517  12.143
  648    H    THR  89           H        THR  89  14.228  -1.306   6.373
  649    HA   THR  89           HA       THR  89  14.254   1.324   5.497
  650    HB   THR  89           HB       THR  89  14.007  -1.301   4.054
  651    HG1  THR  89           1HG      THR  89  16.026  -1.319   4.658
  652   1HG2  THR  89          1HG2      THR  89  14.530   1.437   2.957
  653   2HG2  THR  89          2HG2      THR  89  13.114   0.376   2.671
  654   3HG2  THR  89          3HG2      THR  89  14.706  -0.092   2.061
  655    H    LEU  90           H        LEU  90  11.724  -1.109   5.443
  656    HA   LEU  90           HA       LEU  90   9.851   0.441   3.925
  657   1HB   LEU  90          2HB       LEU  90   9.147  -1.620   3.687
  658   2HB   LEU  90          1HB       LEU  90  10.027  -2.228   5.033
  659    HG   LEU  90           HG       LEU  90   8.002  -1.017   6.304
  660   1HD1  LEU  90          1HD1      LEU  90   6.942  -0.082   4.502
  661   2HD1  LEU  90          2HD1      LEU  90   5.906  -1.363   5.157
  662   3HD1  LEU  90          3HD1      LEU  90   6.834  -1.633   3.680
  663   1HD2  LEU  90          1HD2      LEU  90   8.588  -3.302   6.606
  664   2HD2  LEU  90          2HD2      LEU  90   7.849  -3.725   5.051
  665   3HD2  LEU  90          3HD2      LEU  90   6.836  -3.131   6.394
  666    H    ASN  91           H        ASN  91  10.476  -0.350   7.242
  667    HA   ASN  91           HA       ASN  91   8.382   0.893   8.528
  668   1HB   ASN  91          2HB       ASN  91  11.224   0.408   9.258
  669   2HB   ASN  91          1HB       ASN  91  10.202   1.324  10.327
  670   1HD2  ASN  91          1HD2      ASN  91   8.908  -1.330   8.438
  671   2HD2  ASN  91          2HD2      ASN  91   8.685  -2.413   9.756
  672    H    ASP  92           H        ASP  92  11.375   2.346   7.361
  673    HA   ASP  92           HA       ASP  92  10.766   5.031   8.211
  674   1HB   ASP  92          2HB       ASP  92  13.059   4.367   7.715
  675   2HB   ASP  92          1HB       ASP  92  12.614   3.985   6.058
  676    H    TRP  93           H        TRP  93  10.112   3.206   5.325
  677    HA   TRP  93           HA       TRP  93   8.994   5.343   3.862
  678   1HB   TRP  93          2HB       TRP  93   8.977   2.417   3.677
  679   2HB   TRP  93          1HB       TRP  93   7.852   3.279   2.668
  680    HD1  TRP  93           HD       TRP  93  11.335   2.040   2.770
  681    HE1  TRP  93           1HE      TRP  93  12.742   3.002   0.858
  682    HE3  TRP  93           3HE      TRP  93   8.169   5.731   1.237
  683    HZ2  TRP  93           2HZ      TRP  93  12.533   5.061  -1.071
  684    HZ3  TRP  93           3HZ      TRP  93   8.842   7.155  -0.653
  685    HH2  TRP  93           HH       TRP  93  10.979   6.822  -1.778
  686    H    GLU  94           H        GLU  94   7.615   3.087   6.118
  687    HA   GLU  94           HA       GLU  94   4.903   3.593   5.774
  688   1HB   GLU  94          2HB       GLU  94   6.408   3.283   8.368
  689   2HB   GLU  94          1HB       GLU  94   4.667   3.182   8.194
  690   1HG   GLU  94          2HG       GLU  94   4.891   1.242   6.825
  691   2HG   GLU  94          1HG       GLU  94   6.654   1.306   6.915
  692    H    THR  95           H        THR  95   7.193   5.198   7.811
  693    HA   THR  95           HA       THR  95   5.798   7.210   9.030
  694    HB   THR  95           HB       THR  95   8.597   7.429   7.928
  695    HG1  THR  95           1HG      THR  95   9.164   5.985   9.422
  696   1HG2  THR  95          1HG2      THR  95   8.995   8.798   9.950
  697   2HG2  THR  95          2HG2      THR  95   7.302   8.615  10.406
  698   3HG2  THR  95          3HG2      THR  95   7.728   9.502   8.944
  699    H    LYS  96           H        LYS  96   6.842   7.045   5.698
  700    HA   LYS  96           HA       LYS  96   6.861   9.876   5.218
  701   1HB   LYS  96          2HB       LYS  96   6.981   7.552   3.284
  702   2HB   LYS  96          1HB       LYS  96   7.440   9.219   2.947
  703   1HG   LYS  96          2HG       LYS  96   8.728   7.485   5.006
  704   2HG   LYS  96          1HG       LYS  96   9.458   7.657   3.449
  705   1HD   LYS  96          2HD       LYS  96   9.540  10.141   3.920
  706   2HD   LYS  96          1HD       LYS  96   8.972   9.763   5.552
  707   1HE   LYS  96          2HE       LYS  96  10.934   8.297   5.845
  708   2HE   LYS  96          1HE       LYS  96  11.505   8.782   4.255
  709   1HZ   LYS  96          1HZ       LYS  96  12.581  10.067   5.977
  710   2HZ   LYS  96          2HZ       LYS  96  11.102  10.555   6.589
  711   3HZ   LYS  96          3HZ       LYS  96  11.597  11.102   5.080
  712    H    PHE  97           H        PHE  97   4.873   7.140   4.656
  713    HA   PHE  97           HA       PHE  97   2.817   8.623   3.321
  714   1HB   PHE  97          2HB       PHE  97   3.164   5.797   4.195
  715   2HB   PHE  97          1HB       PHE  97   1.653   6.346   3.515
  716    HD1  PHE  97           1HD      PHE  97   1.395   6.417   1.150
  717    HD2  PHE  97           2HD      PHE  97   5.304   6.069   2.797
  718    HE1  PHE  97           1HE      PHE  97   2.312   6.037  -1.099
  719    HE2  PHE  97           2HE      PHE  97   6.217   5.685   0.544
  720    HZ   PHE  97           HZ       PHE  97   4.723   5.670  -1.401
  721    H    GLU  98           H        GLU  98   3.422   7.245   6.471
  722    HA   GLU  98           HA       GLU  98   0.997   7.412   7.808
  723   1HB   GLU  98          2HB       GLU  98   3.845   7.602   8.587
  724   2HB   GLU  98          1HB       GLU  98   2.693   7.859   9.852
  725   1HG   GLU  98          2HG       GLU  98   2.865   5.386   8.134
  726   2HG   GLU  98          1HG       GLU  98   3.618   5.566   9.713
  727    H    ALA  99           H        ALA  99   3.177  10.024   6.981
  728    HA   ALA  99           HA       ALA  99   1.688  11.806   8.773
  729   1HB   ALA  99          1HB       ALA  99   4.119  11.742   9.073
  730   2HB   ALA  99          2HB       ALA  99   3.554  13.336   8.559
  731   3HB   ALA  99          3HB       ALA  99   4.319  12.255   7.396
  732    H    LYS 100           H        LYS 100   1.475  10.843   5.637
  733    HA   LYS 100           HA       LYS 100   0.808  13.553   4.774
  734   1HB   LYS 100          2HB       LYS 100   2.258  11.412   3.242
  735   2HB   LYS 100          1HB       LYS 100   1.349  12.657   2.425
  736   1HG   LYS 100          2HG       LYS 100   3.693  13.182   2.461
  737   2HG   LYS 100          1HG       LYS 100   2.789  14.370   3.392
  738   1HD   LYS 100          2HD       LYS 100   3.515  13.266   5.444
  739   2HD   LYS 100          1HD       LYS 100   4.384  12.059   4.494
  740   1HE   LYS 100          2HE       LYS 100   4.861  14.998   4.397
  741   2HE   LYS 100          1HE       LYS 100   5.840  13.885   5.369
  742   1HZ   LYS 100          1HZ       LYS 100   6.913  14.403   3.291
  743   2HZ   LYS 100          2HZ       LYS 100   5.600  13.901   2.375
  744   3HZ   LYS 100          3HZ       LYS 100   6.489  12.787   3.271
  745    H    TYR 101           H        TYR 101   0.018  10.129   4.581
  746    HA   TYR 101           HA       TYR 101  -2.464  10.905   3.247
  747   1HB   TYR 101          2HB       TYR 101  -1.028   8.263   3.165
  748   2HB   TYR 101          1HB       TYR 101  -2.476   8.723   2.272
  749    HD1  TYR 101           1HD      TYR 101  -2.145  10.937   0.791
  750    HD2  TYR 101           2HD      TYR 101   0.957   8.333   2.066
  751    HE1  TYR 101           1HE      TYR 101  -0.709  11.762  -1.028
  752    HE2  TYR 101           2HE      TYR 101   2.391   9.118   0.270
  753    HH   TYR 101           HH       TYR 101   1.578  11.922  -1.559
  754    HA   PRO 102           HA       PRO 102  -4.398   9.319   6.859
  755   1HB   PRO 102          2HB       PRO 102  -6.918   9.179   6.011
  756   2HB   PRO 102          1HB       PRO 102  -6.113  10.746   6.191
  757   1HG   PRO 102          2HG       PRO 102  -6.533   9.109   3.720
  758   2HG   PRO 102          1HG       PRO 102  -6.809  10.844   3.947
  759   1HD   PRO 102          2HD       PRO 102  -4.539   9.861   2.799
  760   2HD   PRO 102          1HD       PRO 102  -4.577  11.346   3.782
  761    H    VAL 103           H        VAL 103  -4.712   7.377   7.677
  762    HA   VAL 103           HA       VAL 103  -4.752   5.056   5.966
  763    HB   VAL 103           HB       VAL 103  -5.060   5.177   9.001
  764   1HG1  VAL 103          1HG1      VAL 103  -4.460   2.843   7.191
  765   2HG1  VAL 103          2HG1      VAL 103  -5.972   3.126   8.053
  766   3HG1  VAL 103          3HG1      VAL 103  -4.491   2.795   8.955
  767   1HG2  VAL 103          1HG2      VAL 103  -2.623   4.573   7.334
  768   2HG2  VAL 103          2HG2      VAL 103  -2.720   4.444   9.077
  769   3HG2  VAL 103          3HG2      VAL 103  -2.876   6.027   8.301
  770    H    VAL 104           H        VAL 104  -6.516   4.634   4.989
  771    HA   VAL 104           HA       VAL 104  -9.076   5.347   6.219
  772    HB   VAL 104           HB       VAL 104 -10.063   5.004   3.939
  773   1HG1  VAL 104          1HG1      VAL 104  -7.732   6.917   4.121
  774   2HG1  VAL 104          2HG1      VAL 104  -9.367   7.223   4.706
  775   3HG1  VAL 104          3HG1      VAL 104  -9.070   7.039   2.979
  776   1HG2  VAL 104          1HG2      VAL 104  -8.536   4.832   2.034
  777   2HG2  VAL 104          2HG2      VAL 104  -8.392   3.411   3.075
  778   3HG2  VAL 104          3HG2      VAL 104  -7.171   4.684   3.135
  779    H    GLY 105           H        GLY 105  -7.239   2.727   6.264
  780   1HA   GLY 105          2HA       GLY 105  -8.954   1.116   7.484
  781   2HA   GLY 105          1HA       GLY 105  -9.300   0.729   5.816
  782    H    ARG 106           H        ARG 106  -8.520  -1.282   5.831
  783    HA   ARG 106           HA       ARG 106  -5.650  -1.688   6.435
  784   1HB   ARG 106          2HB       ARG 106  -6.254  -3.966   7.135
  785   2HB   ARG 106          1HB       ARG 106  -6.843  -2.812   8.279
  786   1HG   ARG 106          2HG       ARG 106  -9.055  -2.997   7.430
  787   2HG   ARG 106          1HG       ARG 106  -8.438  -3.948   6.068
  788   1HD   ARG 106          2HD       ARG 106  -9.459  -5.362   7.726
  789   2HD   ARG 106          1HD       ARG 106  -7.730  -5.628   7.468
  790    HE   ARG 106           HE       ARG 106  -7.907  -3.940   9.622
  791   1HH1  ARG 106          1HH1      ARG 106  -9.280  -7.108   8.834
  792   2HH1  ARG 106          2HH1      ARG 106  -9.126  -7.726  10.414
  793   1HH2  ARG 106          1HH2      ARG 106  -7.744  -4.772  11.816
  794   2HH2  ARG 106          2HH2      ARG 106  -8.268  -6.349  12.167
  795    H    VAL 107           H        VAL 107  -4.770  -3.483   5.341
  796    HA   VAL 107           HA       VAL 107  -6.510  -4.573   3.314
  797    HB   VAL 107           HB       VAL 107  -4.653  -3.192   2.280
  798   1HG1  VAL 107          1HG1      VAL 107  -2.446  -4.198   2.150
  799   2HG1  VAL 107          2HG1      VAL 107  -2.949  -5.341   3.412
  800   3HG1  VAL 107          3HG1      VAL 107  -2.905  -3.586   3.742
  801   1HG2  VAL 107          1HG2      VAL 107  -5.819  -4.862   1.060
  802   2HG2  VAL 107          2HG2      VAL 107  -4.803  -6.095   1.780
  803   3HG2  VAL 107          3HG2      VAL 107  -4.092  -4.946   0.613
  804    H    VAL 108           H        VAL 108  -6.702  -6.610   3.302
  805    HA   VAL 108           HA       VAL 108  -5.120  -8.169   5.194
  806    HB   VAL 108           HB       VAL 108  -7.206  -9.540   5.527
  807   1HG1  VAL 108          1HG1      VAL 108  -6.602  -7.564   6.902
  808   2HG1  VAL 108          2HG1      VAL 108  -8.407  -7.755   6.721
  809   3HG1  VAL 108          3HG1      VAL 108  -7.530  -6.614   5.728
  810   1HG2  VAL 108          1HG2      VAL 108  -8.411  -7.306   4.036
  811   2HG2  VAL 108          2HG2      VAL 108  -9.299  -8.621   4.785
  812   3HG2  VAL 108          3HG2      VAL 108  -8.286  -8.931   3.329
  813    H    SER 109           H        SER 109  -4.501 -10.232   4.497
  814    HA   SER 109           HA       SER 109  -5.170 -10.858   1.763
  815   1HB   SER 109          2HB       SER 109  -3.361  -9.321   1.604
  816   2HB   SER 109          1HB       SER 109  -2.433 -10.235   2.787
  817    HG   SER 109           HG       SER 109  -1.769 -11.493   1.124
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1 -17.598  13.374  -9.643
    2   2H    MET   1          2HT       MET   1 -16.057  12.743  -9.383
    3   3H    MET   1          3HT       MET   1 -16.433  13.438 -10.872
    4    HA   MET   1           HA       MET   1 -15.066  14.884  -9.544
    5   1HB   MET   1          2HB       MET   1 -16.653  15.883 -11.126
    6   2HB   MET   1          1HB       MET   1 -17.912  15.837  -9.901
    7   1HG   MET   1          2HG       MET   1 -16.628  17.416  -8.534
    8   2HG   MET   1          1HG       MET   1 -15.383  17.474  -9.779
    9   1HE   MET   1          1HE       MET   1 -17.102  20.997 -10.043
   10   2HE   MET   1          2HE       MET   1 -15.579  20.137  -9.814
   11   3HE   MET   1          3HE       MET   1 -16.832  20.058  -8.575
   12    H    GLY   2           H        GLY   2 -14.357  14.830  -7.530
   13   1HA   GLY   2          2HA       GLY   2 -14.296  15.098  -5.288
   14   2HA   GLY   2          1HA       GLY   2 -15.800  15.984  -5.425
   15    H    HIS   3           H        HIS   3 -16.737  15.148  -3.611
   16    HA   HIS   3           HA       HIS   3 -18.057  13.819  -2.392
   17   1HB   HIS   3          2HB       HIS   3 -18.037  11.954  -4.776
   18   2HB   HIS   3          1HB       HIS   3 -19.043  11.732  -3.353
   19    HD1  HIS   3           1HD      HIS   3 -18.804  13.579  -6.545
   20    HD2  HIS   3           2HD      HIS   3 -21.145  13.663  -3.115
   21    HE1  HIS   3           1HE      HIS   3 -20.831  14.899  -7.151
   22    HE2  HIS   3           2HE      HIS   3 -22.076  15.168  -4.988
   23    H    HIS   4           H        HIS   4 -15.980  11.541  -4.074
   24    HA   HIS   4           HA       HIS   4 -15.821   9.730  -1.970
   25   1HB   HIS   4          2HB       HIS   4 -13.874   8.684  -3.112
   26   2HB   HIS   4          1HB       HIS   4 -15.232   8.979  -4.185
   27    HD1  HIS   4           1HD      HIS   4 -11.663   9.875  -3.612
   28    HD2  HIS   4           2HD      HIS   4 -14.760  10.987  -6.138
   29    HE1  HIS   4           1HE      HIS   4 -10.604  11.206  -5.448
   30    HE2  HIS   4           2HE      HIS   4 -12.442  11.525  -7.097
   31    H    HIS   5           H        HIS   5 -15.087   9.957  -0.052
   32    HA   HIS   5           HA       HIS   5 -12.377  10.682   0.430
   33   1HB   HIS   5          2HB       HIS   5 -12.775  12.497   2.012
   34   2HB   HIS   5          1HB       HIS   5 -13.522  12.937   0.490
   35    HD1  HIS   5           1HD      HIS   5 -16.175  13.011   0.472
   36    HD2  HIS   5           2HD      HIS   5 -14.472  12.246   4.183
   37    HE1  HIS   5           1HE      HIS   5 -17.997  13.375   2.155
   38    HE2  HIS   5           2HE      HIS   5 -17.016  12.556   4.297
   39    H    HIS   6           H        HIS   6 -11.717   9.761   2.389
   40    HA   HIS   6           HA       HIS   6 -13.817   8.128   3.661
   41   1HB   HIS   6          2HB       HIS   6 -10.971   7.366   3.066
   42   2HB   HIS   6          1HB       HIS   6 -12.093   6.353   3.977
   43    HD1  HIS   6           1HD      HIS   6 -13.368   4.661   2.556
   44    HD2  HIS   6           2HD      HIS   6 -11.748   7.747   0.290
   45    HE1  HIS   6           1HE      HIS   6 -13.748   4.029   0.205
   46    HE2  HIS   6           2HE      HIS   6 -12.373   5.668  -1.078
   47    H    HIS   7           H        HIS   7 -13.997   8.511   5.784
   48    HA   HIS   7           HA       HIS   7 -11.615   9.053   7.327
   49   1HB   HIS   7          2HB       HIS   7 -12.329  11.310   6.674
   50   2HB   HIS   7          1HB       HIS   7 -13.941  10.995   7.299
   51    HD1  HIS   7           1HD      HIS   7 -14.331  11.612   9.672
   52    HD2  HIS   7           2HD      HIS   7 -10.301  11.313   8.778
   53    HE1  HIS   7           1HE      HIS   7 -13.128  12.423  11.719
   54    HE2  HIS   7           2HE      HIS   7 -10.697  12.451  11.041
   55    H    HIS   8           H        HIS   8 -11.839   7.268   8.454
   56    HA   HIS   8           HA       HIS   8 -13.160   6.897  10.785
   57   1HB   HIS   8          2HB       HIS   8 -15.357   6.984   9.584
   58   2HB   HIS   8          1HB       HIS   8 -14.834   5.663   8.555
   59    HD1  HIS   8           1HD      HIS   8 -15.400   3.359   9.346
   60    HD2  HIS   8           2HD      HIS   8 -15.713   6.176  12.379
   61    HE1  HIS   8           1HE      HIS   8 -16.388   2.140  11.307
   62    HE2  HIS   8           2HE      HIS   8 -16.376   3.809  13.165
   63    H    LEU   9           H        LEU   9 -12.316   5.574   7.772
   64    HA   LEU   9           HA       LEU   9 -11.281   4.001   6.954
   65   1HB   LEU   9          2HB       LEU   9  -9.484   2.710   7.980
   66   2HB   LEU   9          1HB       LEU   9  -9.327   4.420   8.210
   67    HG   LEU   9           HG       LEU   9  -9.930   4.115  10.601
   68   1HD1  LEU   9          1HD1      LEU   9  -9.987   1.857  11.539
   69   2HD1  LEU   9          2HD1      LEU   9  -9.836   1.161   9.924
   70   3HD1  LEU   9          3HD1      LEU   9 -11.294   2.050  10.370
   71   1HD2  LEU   9          1HD2      LEU   9  -7.793   2.409   9.478
   72   2HD2  LEU   9          2HD2      LEU   9  -7.820   3.007  11.156
   73   3HD2  LEU   9          3HD2      LEU   9  -7.671   4.134   9.777
   74    H    GLU  10           H        GLU  10 -11.181   2.011   6.333
   75    HA   GLU  10           HA       GLU  10 -13.310   0.327   7.414
   76   1HB   GLU  10          2HB       GLU  10 -14.071   0.148   5.060
   77   2HB   GLU  10          1HB       GLU  10 -14.309   1.740   5.785
   78   1HG   GLU  10          2HG       GLU  10 -12.085   2.362   4.787
   79   2HG   GLU  10          1HG       GLU  10 -12.202   0.885   3.851
   80    H    GLU  11           H        GLU  11 -13.207  -1.863   6.393
   81    HA   GLU  11           HA       GLU  11 -10.508  -2.588   5.856
   82   1HB   GLU  11          2HB       GLU  11 -11.405  -3.886   7.480
   83   2HB   GLU  11          1HB       GLU  11 -12.985  -4.079   6.675
   84   1HG   GLU  11          2HG       GLU  11 -11.885  -5.428   5.029
   85   2HG   GLU  11          1HG       GLU  11 -10.341  -5.297   5.819
   86    H    PHE  12           H        PHE  12  -9.879  -3.352   4.050
   87    HA   PHE  12           HA       PHE  12 -11.671  -3.818   1.781
   88   1HB   PHE  12          2HB       PHE  12  -8.808  -2.852   1.895
   89   2HB   PHE  12          1HB       PHE  12  -9.662  -3.478   0.524
   90    HD1  PHE  12           1HD      PHE  12  -9.363  -0.668   2.872
   91    HD2  PHE  12           2HD      PHE  12 -11.315  -2.082  -0.635
   92    HE1  PHE  12           1HE      PHE  12 -10.164   1.610   2.401
   93    HE2  PHE  12           2HE      PHE  12 -12.118   0.187  -1.114
   94    HZ   PHE  12           HZ       PHE  12 -11.542   2.042   0.407
   95    H    THR  13           H        THR  13 -11.066  -5.672   0.583
   96    HA   THR  13           HA       THR  13  -9.099  -7.364   1.945
   97    HB   THR  13           HB       THR  13 -10.991  -8.232  -0.229
   98    HG1  THR  13           1HG      THR  13 -11.739  -7.322   2.077
   99   1HG2  THR  13          1HG2      THR  13  -9.579  -9.630   1.995
  100   2HG2  THR  13          2HG2      THR  13  -9.093  -9.565   0.304
  101   3HG2  THR  13          3HG2      THR  13 -10.603 -10.411   0.755
  102    H    ALA  14           H        ALA  14  -7.496  -8.425   0.512
  103    HA   ALA  14           HA       ALA  14  -6.166  -6.565  -1.011
  104   1HB   ALA  14          1HB       ALA  14  -5.141  -8.551  -0.003
  105   2HB   ALA  14          2HB       ALA  14  -4.661  -8.279  -1.675
  106   3HB   ALA  14          3HB       ALA  14  -5.826  -9.540  -1.295
  107    H    GLU  15           H        GLU  15  -8.172  -9.213  -2.347
  108    HA   GLU  15           HA       GLU  15  -7.635  -8.408  -5.014
  109   1HB   GLU  15          2HB       GLU  15  -9.866 -10.102  -3.919
  110   2HB   GLU  15          1HB       GLU  15  -9.622  -9.820  -5.637
  111   1HG   GLU  15          2HG       GLU  15  -7.666 -11.123  -3.757
  112   2HG   GLU  15          1HG       GLU  15  -8.658 -11.941  -4.968
  113    H    GLN  16           H        GLN  16  -9.968  -7.425  -2.751
  114    HA   GLN  16           HA       GLN  16 -11.570  -5.971  -4.616
  115   1HB   GLN  16          2HB       GLN  16 -11.479  -6.072  -1.606
  116   2HB   GLN  16          1HB       GLN  16 -12.516  -4.929  -2.430
  117   1HG   GLN  16          2HG       GLN  16 -13.774  -6.909  -1.756
  118   2HG   GLN  16          1HG       GLN  16 -13.705  -6.792  -3.506
  119   1HE2  GLN  16          1HE2      GLN  16 -12.786  -8.615  -0.718
  120   2HE2  GLN  16          2HE2      GLN  16 -12.190  -9.978  -1.598
  121    H    LEU  17           H        LEU  17  -8.878  -5.306  -2.560
  122    HA   LEU  17           HA       LEU  17  -8.901  -2.458  -2.820
  123   1HB   LEU  17          2HB       LEU  17  -8.013  -3.713  -0.856
  124   2HB   LEU  17          1HB       LEU  17  -6.755  -4.365  -1.862
  125    HG   LEU  17           HG       LEU  17  -5.876  -2.605  -0.373
  126   1HD1  LEU  17          1HD1      LEU  17  -4.768  -1.204  -1.833
  127   2HD1  LEU  17          2HD1      LEU  17  -5.803  -1.794  -3.156
  128   3HD1  LEU  17          3HD1      LEU  17  -4.723  -2.910  -2.302
  129   1HD2  LEU  17          1HD2      LEU  17  -7.884  -1.284  -0.104
  130   2HD2  LEU  17          2HD2      LEU  17  -7.729  -0.726  -1.788
  131   3HD2  LEU  17          3HD2      LEU  17  -6.482  -0.336  -0.593
  132    H    SER  18           H        SER  18  -7.102  -5.161  -4.307
  133    HA   SER  18           HA       SER  18  -5.311  -3.599  -5.769
  134   1HB   SER  18          2HB       SER  18  -6.232  -6.439  -6.210
  135   2HB   SER  18          1HB       SER  18  -4.883  -5.684  -7.064
  136    HG   SER  18           HG       SER  18  -4.248  -5.143  -4.754
  137    H    GLN  19           H        GLN  19  -8.525  -3.728  -6.222
  138    HA   GLN  19           HA       GLN  19  -8.451  -3.433  -9.093
  139   1HB   GLN  19          2HB       GLN  19 -10.695  -3.034  -7.114
  140   2HB   GLN  19          1HB       GLN  19 -10.861  -2.975  -8.867
  141   1HG   GLN  19          2HG       GLN  19 -10.188  -5.293  -9.034
  142   2HG   GLN  19          1HG       GLN  19  -9.935  -5.360  -7.296
  143   1HE2  GLN  19          1HE2      GLN  19 -11.375  -6.968  -7.035
  144   2HE2  GLN  19          2HE2      GLN  19 -13.081  -6.776  -7.169
  145    H    TYR  20           H        TYR  20  -8.420  -1.485  -6.212
  146    HA   TYR  20           HA       TYR  20  -8.916   0.941  -7.695
  147   1HB   TYR  20          2HB       TYR  20  -8.390   0.519  -4.751
  148   2HB   TYR  20          1HB       TYR  20  -8.713   2.074  -5.504
  149    HD1  TYR  20           1HD      TYR  20 -10.918   2.589  -6.403
  150    HD2  TYR  20           2HD      TYR  20 -10.171  -1.058  -4.366
  151    HE1  TYR  20           1HE      TYR  20 -13.330   2.242  -6.162
  152    HE2  TYR  20           2HE      TYR  20 -12.574  -1.421  -4.113
  153    HH   TYR  20           HH       TYR  20 -14.609  -0.131  -4.089
  154    H    ASN  21           H        ASN  21  -7.111   0.605  -8.988
  155    HA   ASN  21           HA       ASN  21  -4.654   1.453  -7.671
  156   1HB   ASN  21          2HB       ASN  21  -3.357   0.361  -9.458
  157   2HB   ASN  21          1HB       ASN  21  -4.393  -0.735  -8.611
  158   1HD2  ASN  21          1HD2      ASN  21  -4.261  -2.183 -10.331
  159   2HD2  ASN  21          2HD2      ASN  21  -5.182  -2.002 -11.777
  160    H    GLY  22           H        GLY  22  -7.031   2.418  -9.798
  161   1HA   GLY  22          2HA       GLY  22  -7.305   4.680 -10.426
  162   2HA   GLY  22          1HA       GLY  22  -5.593   4.909 -10.135
  163    H    THR  23           H        THR  23  -5.461   2.358 -12.090
  164    HA   THR  23           HA       THR  23  -4.973   4.193 -14.264
  165    HB   THR  23           HB       THR  23  -3.376   2.421 -13.623
  166    HG1  THR  23           1HG      THR  23  -2.885   1.855 -15.843
  167   1HG2  THR  23          1HG2      THR  23  -5.364   0.567 -14.940
  168   2HG2  THR  23          2HG2      THR  23  -4.894   0.561 -13.242
  169   3HG2  THR  23          3HG2      THR  23  -3.721   0.117 -14.483
  170    H    ASP  24           H        ASP  24  -7.547   2.371 -13.267
  171    HA   ASP  24           HA       ASP  24  -8.458   1.960 -15.981
  172   1HB   ASP  24          2HB       ASP  24  -8.578  -0.011 -14.468
  173   2HB   ASP  24          1HB       ASP  24  -9.601   0.912 -13.411
  174    H    GLU  25           H        GLU  25  -9.519   3.889 -16.640
  175    HA   GLU  25           HA       GLU  25 -11.020   5.574 -16.765
  176   1HB   GLU  25          2HB       GLU  25 -12.581   3.823 -14.871
  177   2HB   GLU  25          1HB       GLU  25 -13.228   5.255 -15.641
  178   1HG   GLU  25          2HG       GLU  25 -12.861   4.194 -17.838
  179   2HG   GLU  25          1HG       GLU  25 -12.298   2.744 -17.001
  180    H    SER  26           H        SER  26  -9.028   5.480 -14.563
  181    HA   SER  26           HA       SER  26  -8.338   6.661 -12.827
  182   1HB   SER  26          2HB       SER  26  -8.864   8.627 -14.117
  183   2HB   SER  26          1HB       SER  26 -10.573   8.492 -13.704
  184    HG   SER  26           HG       SER  26 -10.116   9.007 -11.665
  185    H    LYS  27           H        LYS  27  -9.556   4.507 -12.021
  186    HA   LYS  27           HA       LYS  27 -11.625   4.851 -10.092
  187   1HB   LYS  27          2HB       LYS  27  -9.335   2.851 -10.036
  188   2HB   LYS  27          1HB       LYS  27 -10.754   2.790  -9.018
  189   1HG   LYS  27          2HG       LYS  27 -12.110   2.428 -11.169
  190   2HG   LYS  27          1HG       LYS  27 -10.562   2.340 -11.973
  191   1HD   LYS  27          2HD       LYS  27  -9.858   0.485 -10.645
  192   2HD   LYS  27          1HD       LYS  27 -11.309   0.585  -9.659
  193   1HE   LYS  27          2HE       LYS  27 -11.231  -0.042 -12.607
  194   2HE   LYS  27          1HE       LYS  27 -11.406  -1.224 -11.308
  195   1HZ   LYS  27          1HZ       LYS  27 -13.482  -0.148 -10.691
  196   2HZ   LYS  27          2HZ       LYS  27 -13.529  -0.692 -12.280
  197   3HZ   LYS  27          3HZ       LYS  27 -13.331   0.947 -11.971
  198    HA   PRO  28           HA       PRO  28  -9.531   6.925  -6.685
  199   1HB   PRO  28          2HB       PRO  28 -10.524   4.628  -5.066
  200   2HB   PRO  28          1HB       PRO  28 -10.674   6.361  -4.734
  201   1HG   PRO  28          2HG       PRO  28 -12.760   4.959  -5.599
  202   2HG   PRO  28          1HG       PRO  28 -12.466   6.606  -6.178
  203   1HD   PRO  28          2HD       PRO  28 -12.058   4.011  -7.574
  204   2HD   PRO  28          1HD       PRO  28 -12.516   5.591  -8.231
  205    H    ILE  29           H        ILE  29  -7.560   6.639  -5.594
  206    HA   ILE  29           HA       ILE  29  -6.209   4.099  -6.243
  207    HB   ILE  29           HB       ILE  29  -4.726   6.745  -5.965
  208   1HG1  ILE  29          2HG1      ILE  29  -4.528   6.622  -8.541
  209   2HG1  ILE  29          1HG1      ILE  29  -5.900   5.517  -8.435
  210   1HG2  ILE  29          1HG2      ILE  29  -4.063   4.140  -7.298
  211   2HG2  ILE  29          2HG2      ILE  29  -3.441   4.668  -5.744
  212   3HG2  ILE  29          3HG2      ILE  29  -3.003   5.539  -7.229
  213   1HD1  ILE  29          1HD1      ILE  29  -7.247   7.290  -7.479
  214   2HD1  ILE  29          2HD1      ILE  29  -6.596   7.702  -9.061
  215   3HD1  ILE  29          3HD1      ILE  29  -5.875   8.404  -7.612
  216    H    TYR  30           H        TYR  30  -5.019   3.090  -4.551
  217    HA   TYR  30           HA       TYR  30  -4.712   4.544  -2.093
  218   1HB   TYR  30          2HB       TYR  30  -6.193   1.890  -2.278
  219   2HB   TYR  30          1HB       TYR  30  -5.755   2.752  -0.804
  220    HD1  TYR  30           1HD      TYR  30  -6.735   5.070  -0.473
  221    HD2  TYR  30           2HD      TYR  30  -8.249   2.299  -3.293
  222    HE1  TYR  30           1HE      TYR  30  -8.835   6.352  -0.588
  223    HE2  TYR  30           2HE      TYR  30 -10.351   3.548  -3.415
  224    HH   TYR  30           HH       TYR  30 -10.617   6.679  -2.227
  225    H    VAL  31           H        VAL  31  -3.215   3.355  -0.744
  226    HA   VAL  31           HA       VAL  31  -1.824   1.215  -2.153
  227    HB   VAL  31           HB       VAL  31  -0.457   3.293  -2.563
  228   1HG1  VAL  31          1HG1      VAL  31  -0.265   3.489   0.371
  229   2HG1  VAL  31          2HG1      VAL  31  -1.151   4.572  -0.745
  230   3HG1  VAL  31          3HG1      VAL  31   0.618   4.408  -0.861
  231   1HG2  VAL  31          1HG2      VAL  31   0.654   1.246  -2.386
  232   2HG2  VAL  31          2HG2      VAL  31   0.714   1.407  -0.616
  233   3HG2  VAL  31          3HG2      VAL  31   1.626   2.555  -1.649
  234    H    ALA  32           H        ALA  32  -0.809  -0.316  -0.774
  235    HA   ALA  32           HA       ALA  32  -1.730  -0.050   1.975
  236   1HB   ALA  32          1HB       ALA  32  -1.973  -2.463   2.013
  237   2HB   ALA  32          2HB       ALA  32  -1.456  -2.555   0.327
  238   3HB   ALA  32          3HB       ALA  32  -2.961  -1.740   0.749
  239    H    ILE  33           H        ILE  33  -0.283  -0.145   3.475
  240    HA   ILE  33           HA       ILE  33   2.223  -1.598   3.022
  241    HB   ILE  33           HB       ILE  33   2.008   1.053   4.534
  242   1HG1  ILE  33          2HG1      ILE  33   3.327   0.407   1.885
  243   2HG1  ILE  33          1HG1      ILE  33   1.907   1.406   2.122
  244   1HG2  ILE  33          1HG2      ILE  33   3.624  -0.381   5.594
  245   2HG2  ILE  33          2HG2      ILE  33   4.452   0.927   4.726
  246   3HG2  ILE  33          3HG2      ILE  33   4.405  -0.681   4.043
  247   1HD1  ILE  33          1HD1      ILE  33   3.840   2.731   1.700
  248   2HD1  ILE  33          2HD1      ILE  33   4.682   2.010   3.098
  249   3HD1  ILE  33          3HD1      ILE  33   3.256   3.033   3.342
  250    H    LYS  34           H        LYS  34   2.161  -3.184   4.341
  251    HA   LYS  34           HA       LYS  34   1.531  -4.590   5.851
  252   1HB   LYS  34          2HB       LYS  34   2.540  -2.325   7.344
  253   2HB   LYS  34          1HB       LYS  34   1.497  -3.367   8.318
  254   1HG   LYS  34          2HG       LYS  34   3.751  -4.394   6.619
  255   2HG   LYS  34          1HG       LYS  34   3.901  -4.035   8.345
  256   1HD   LYS  34          2HD       LYS  34   2.292  -5.665   8.935
  257   2HD   LYS  34          1HD       LYS  34   1.759  -5.890   7.280
  258   1HE   LYS  34          2HE       LYS  34   4.498  -6.564   8.305
  259   2HE   LYS  34          1HE       LYS  34   3.173  -7.723   8.169
  260   1HZ   LYS  34          1HZ       LYS  34   4.404  -6.227   5.909
  261   2HZ   LYS  34          2HZ       LYS  34   3.116  -7.302   5.801
  262   3HZ   LYS  34          3HZ       LYS  34   4.619  -7.862   6.296
  263    H    GLY  35           H        GLY  35  -0.541  -3.540   4.533
  264   1HA   GLY  35          2HA       GLY  35  -2.787  -4.023   4.567
  265   2HA   GLY  35          1HA       GLY  35  -2.718  -4.347   6.274
  266    H    ARG  36           H        ARG  36  -1.287  -1.420   5.702
  267    HA   ARG  36           HA       ARG  36  -3.646   0.033   6.655
  268   1HB   ARG  36          2HB       ARG  36  -0.879   1.116   5.978
  269   2HB   ARG  36          1HB       ARG  36  -2.100   1.837   6.980
  270   1HG   ARG  36          2HG       ARG  36  -1.078  -0.788   7.738
  271   2HG   ARG  36          1HG       ARG  36  -0.010   0.560   8.017
  272   1HD   ARG  36          2HD       ARG  36  -2.853   0.169   9.078
  273   2HD   ARG  36          1HD       ARG  36  -1.331   0.022   9.971
  274    HE   ARG  36           HE       ARG  36  -1.400   2.599   8.926
  275   1HH1  ARG  36          1HH1      ARG  36  -3.207   0.730  11.349
  276   2HH1  ARG  36          2HH1      ARG  36  -3.538   2.076  12.306
  277   1HH2  ARG  36          1HH2      ARG  36  -1.832   4.386  10.242
  278   2HH2  ARG  36          2HH2      ARG  36  -2.767   4.240  11.670
  279    H    VAL  37           H        VAL  37  -4.910   1.012   5.152
  280    HA   VAL  37           HA       VAL  37  -3.876   1.266   2.435
  281    HB   VAL  37           HB       VAL  37  -6.719   1.256   3.495
  282   1HG1  VAL  37          1HG1      VAL  37  -5.747   1.455   0.656
  283   2HG1  VAL  37          2HG1      VAL  37  -6.520   2.768   1.558
  284   3HG1  VAL  37          3HG1      VAL  37  -7.428   1.299   1.166
  285   1HG2  VAL  37          1HG2      VAL  37  -5.646  -0.906   3.467
  286   2HG2  VAL  37          2HG2      VAL  37  -5.170  -0.655   1.789
  287   3HG2  VAL  37          3HG2      VAL  37  -6.882  -0.819   2.204
  288    H    PHE  38           H        PHE  38  -3.100   3.124   1.939
  289    HA   PHE  38           HA       PHE  38  -4.019   5.558   3.319
  290   1HB   PHE  38          2HB       PHE  38  -1.630   5.183   1.522
  291   2HB   PHE  38          1HB       PHE  38  -1.972   6.573   2.540
  292    HD1  PHE  38           1HD      PHE  38  -1.755   6.391   4.989
  293    HD2  PHE  38           2HD      PHE  38  -0.670   3.205   2.400
  294    HE1  PHE  38           1HE      PHE  38  -0.480   5.295   6.821
  295    HE2  PHE  38           2HE      PHE  38   0.573   2.151   4.211
  296    HZ   PHE  38           HZ       PHE  38   0.674   3.205   6.417
  297    H    ASP  39           H        ASP  39  -4.816   7.293   2.200
  298    HA   ASP  39           HA       ASP  39  -5.859   6.753  -0.449
  299   1HB   ASP  39          2HB       ASP  39  -7.184   8.087   1.222
  300   2HB   ASP  39          1HB       ASP  39  -5.947   9.336   1.094
  301    H    VAL  40           H        VAL  40  -4.519   6.795  -2.029
  302    HA   VAL  40           HA       VAL  40  -2.815   9.138  -2.221
  303    HB   VAL  40           HB       VAL  40  -1.464   7.854  -3.923
  304   1HG1  VAL  40          1HG1      VAL  40  -0.695   8.135  -1.643
  305   2HG1  VAL  40          2HG1      VAL  40  -0.235   6.564  -2.286
  306   3HG1  VAL  40          3HG1      VAL  40  -1.584   6.694  -1.142
  307   1HG2  VAL  40          1HG2      VAL  40  -3.128   6.176  -4.464
  308   2HG2  VAL  40          2HG2      VAL  40  -2.999   5.511  -2.829
  309   3HG2  VAL  40          3HG2      VAL  40  -1.622   5.430  -3.930
  310    H    THR  41           H        THR  41  -5.667   8.709  -2.864
  311    HA   THR  41           HA       THR  41  -5.815   9.093  -5.708
  312    HB   THR  41           HB       THR  41  -7.882   9.813  -3.586
  313    HG1  THR  41           1HG      THR  41  -7.033   7.465  -3.793
  314   1HG2  THR  41          1HG2      THR  41  -9.479   9.467  -5.427
  315   2HG2  THR  41          2HG2      THR  41  -8.131   9.134  -6.517
  316   3HG2  THR  41          3HG2      THR  41  -8.319  10.738  -5.807
  317    H    THR  42           H        THR  42  -5.406  10.807  -2.806
  318    HA   THR  42           HA       THR  42  -5.718  13.477  -3.617
  319    HB   THR  42           HB       THR  42  -3.906  12.314  -1.464
  320    HG1  THR  42           1HG      THR  42  -6.091  11.570  -1.241
  321   1HG2  THR  42          1HG2      THR  42  -5.272  15.007  -1.692
  322   2HG2  THR  42          2HG2      THR  42  -3.542  14.704  -1.881
  323   3HG2  THR  42          3HG2      THR  42  -4.316  14.458  -0.315
  324    H    GLY  43           H        GLY  43  -3.260  11.088  -4.148
  325   1HA   GLY  43          2HA       GLY  43  -1.484  13.044  -5.473
  326   2HA   GLY  43          1HA       GLY  43  -0.880  11.682  -4.545
  327    H    LYS  44           H        LYS  44  -3.560  11.949  -6.939
  328    HA   LYS  44           HA       LYS  44  -3.335   9.414  -7.904
  329   1HB   LYS  44          2HB       LYS  44  -5.284  10.795  -8.088
  330   2HB   LYS  44          1HB       LYS  44  -4.421  11.935  -9.108
  331   1HG   LYS  44          2HG       LYS  44  -4.142  10.181 -10.793
  332   2HG   LYS  44          1HG       LYS  44  -5.057   9.086  -9.770
  333   1HD   LYS  44          2HD       LYS  44  -6.080  11.669 -10.941
  334   2HD   LYS  44          1HD       LYS  44  -6.336  10.004 -11.491
  335   1HE   LYS  44          2HE       LYS  44  -7.488   9.455  -9.425
  336   2HE   LYS  44          1HE       LYS  44  -7.185  11.070  -8.799
  337   1HZ   LYS  44          1HZ       LYS  44  -8.603  11.960 -10.555
  338   2HZ   LYS  44          2HZ       LYS  44  -9.417  10.780  -9.635
  339   3HZ   LYS  44          3HZ       LYS  44  -8.840  10.392 -11.154
  340    H    SER  45           H        SER  45  -1.836  12.407  -8.987
  341    HA   SER  45           HA       SER  45  -0.939  11.421 -11.469
  342   1HB   SER  45          2HB       SER  45   0.155  13.695  -9.818
  343   2HB   SER  45          1HB       SER  45   0.431  13.438 -11.544
  344    HG   SER  45           HG       SER  45  -1.974  13.389 -11.615
  345    H    PHE  46           H        PHE  46   0.088  10.544  -8.404
  346    HA   PHE  46           HA       PHE  46   2.780   9.910  -9.349
  347   1HB   PHE  46          2HB       PHE  46   1.710   9.977  -6.522
  348   2HB   PHE  46          1HB       PHE  46   3.365   9.606  -6.977
  349    HD1  PHE  46           1HD      PHE  46   4.831  11.389  -7.827
  350    HD2  PHE  46           2HD      PHE  46   0.888  12.210  -6.452
  351    HE1  PHE  46           1HE      PHE  46   5.384  13.779  -7.661
  352    HE2  PHE  46           2HE      PHE  46   1.434  14.600  -6.289
  353    HZ   PHE  46           HZ       PHE  46   3.688  15.387  -6.894
  354    H    TYR  47           H        TYR  47  -0.253   8.527  -8.280
  355    HA   TYR  47           HA       TYR  47   0.995   5.852  -8.311
  356   1HB   TYR  47          2HB       TYR  47  -1.302   6.841  -6.642
  357   2HB   TYR  47          1HB       TYR  47  -0.818   5.157  -6.747
  358    HD1  TYR  47           1HD      TYR  47   0.365   8.523  -5.773
  359    HD2  TYR  47           2HD      TYR  47   0.880   4.334  -5.377
  360    HE1  TYR  47           1HE      TYR  47   1.961   8.915  -3.980
  361    HE2  TYR  47           2HE      TYR  47   2.503   4.698  -3.567
  362    HH   TYR  47           HH       TYR  47   3.974   6.396  -2.773
  363    H    GLY  48           H        GLY  48  -1.562   7.738  -9.796
  364   1HA   GLY  48          2HA       GLY  48  -3.438   5.687 -10.188
  365   2HA   GLY  48          1HA       GLY  48  -3.362   7.214 -11.035
  366    H    SER  49           H        SER  49  -2.424   7.260 -13.053
  367    HA   SER  49           HA       SER  49  -2.132   4.587 -14.245
  368   1HB   SER  49          2HB       SER  49  -4.119   5.889 -14.999
  369   2HB   SER  49          1HB       SER  49  -3.032   7.146 -15.572
  370    HG   SER  49           HG       SER  49  -3.127   4.463 -16.492
  371    H    GLY  50           H        GLY  50  -0.944   7.928 -14.560
  372   1HA   GLY  50          2HA       GLY  50   1.356   6.906 -16.054
  373   2HA   GLY  50          1HA       GLY  50   0.880   8.594 -15.918
  374    H    GLY  51           H        GLY  51   0.681   7.019 -13.009
  375   1HA   GLY  51          2HA       GLY  51   2.800   8.607 -11.940
  376   2HA   GLY  51          1HA       GLY  51   1.777   7.498 -11.036
  377    H    ASP  52           H        ASP  52   4.626   7.892 -10.883
  378    HA   ASP  52           HA       ASP  52   5.924   5.623 -12.067
  379   1HB   ASP  52          2HB       ASP  52   7.196   7.651 -11.631
  380   2HB   ASP  52          1HB       ASP  52   6.790   7.574  -9.925
  381    H    TYR  53           H        TYR  53   4.332   6.375  -9.109
  382    HA   TYR  53           HA       TYR  53   5.226   3.919  -7.827
  383   1HB   TYR  53          2HB       TYR  53   3.498   6.186  -6.810
  384   2HB   TYR  53          1HB       TYR  53   4.064   4.822  -5.853
  385    HD1  TYR  53           1HD      TYR  53   4.931   8.026  -7.329
  386    HD2  TYR  53           2HD      TYR  53   6.454   4.631  -5.275
  387    HE1  TYR  53           1HE      TYR  53   6.967   9.280  -6.783
  388    HE2  TYR  53           2HE      TYR  53   8.501   5.878  -4.723
  389    HH   TYR  53           HH       TYR  53   8.697   9.232  -5.143
  390    H    SER  54           H        SER  54   3.422   4.093 -10.165
  391    HA   SER  54           HA       SER  54   0.750   3.537  -9.531
  392   1HB   SER  54          2HB       SER  54   1.559   4.188 -11.778
  393   2HB   SER  54          1HB       SER  54   2.394   2.643 -11.892
  394    HG   SER  54           HG       SER  54  -0.153   2.180 -11.290
  395    H    MET  55           H        MET  55   3.559   1.629  -9.197
  396    HA   MET  55           HA       MET  55   2.337  -0.973  -9.420
  397   1HB   MET  55          2HB       MET  55   4.879  -0.290  -7.966
  398   2HB   MET  55          1HB       MET  55   4.423  -1.832  -8.668
  399   1HG   MET  55          2HG       MET  55   5.080   0.684 -10.087
  400   2HG   MET  55          1HG       MET  55   6.126  -0.715  -9.982
  401   1HE   MET  55          1HE       MET  55   5.416   0.691 -12.755
  402   2HE   MET  55          2HE       MET  55   5.146  -0.714 -13.786
  403   3HE   MET  55          3HE       MET  55   6.463  -0.717 -12.610
  404    H    PHE  56           H        PHE  56   2.870   1.412  -6.995
  405    HA   PHE  56           HA       PHE  56   2.461  -0.190  -4.657
  406   1HB   PHE  56          2HB       PHE  56   2.385   2.788  -5.168
  407   2HB   PHE  56          1HB       PHE  56   2.155   2.086  -3.582
  408    HD1  PHE  56           1HD      PHE  56   3.960   2.220  -2.214
  409    HD2  PHE  56           2HD      PHE  56   4.632   1.818  -6.389
  410    HE1  PHE  56           1HE      PHE  56   6.356   2.337  -1.822
  411    HE2  PHE  56           2HE      PHE  56   7.054   1.929  -6.012
  412    HZ   PHE  56           HZ       PHE  56   7.933   2.190  -3.722
  413    H    ALA  57           H        ALA  57   0.611   1.876  -6.711
  414    HA   ALA  57           HA       ALA  57  -1.756   2.212  -5.423
  415   1HB   ALA  57          1HB       ALA  57  -1.373   1.682  -8.349
  416   2HB   ALA  57          2HB       ALA  57  -1.170   3.238  -7.547
  417   3HB   ALA  57          3HB       ALA  57  -2.760   2.478  -7.611
  418    H    GLY  58           H        GLY  58  -3.056   0.861  -4.563
  419   1HA   GLY  58          2HA       GLY  58  -4.357  -0.787  -4.094
  420   2HA   GLY  58          1HA       GLY  58  -4.571  -1.231  -5.723
  421    H    LYS  59           H        LYS  59  -1.384  -1.348  -3.930
  422    HA   LYS  59           HA       LYS  59  -1.763  -4.155  -3.692
  423   1HB   LYS  59          2HB       LYS  59  -0.645  -3.405  -5.832
  424   2HB   LYS  59          1HB       LYS  59   0.570  -2.691  -4.802
  425   1HG   LYS  59          2HG       LYS  59   1.085  -4.794  -3.874
  426   2HG   LYS  59          1HG       LYS  59  -0.178  -5.548  -4.847
  427   1HD   LYS  59          2HD       LYS  59   2.216  -4.087  -5.897
  428   2HD   LYS  59          1HD       LYS  59   1.962  -5.820  -5.679
  429   1HE   LYS  59          2HE       LYS  59   1.557  -5.379  -8.040
  430   2HE   LYS  59          1HE       LYS  59   0.008  -5.606  -7.225
  431   1HZ   LYS  59          1HZ       LYS  59   1.074  -2.887  -7.673
  432   2HZ   LYS  59          2HZ       LYS  59  -0.570  -3.363  -7.549
  433   3HZ   LYS  59          3HZ       LYS  59   0.356  -3.752  -8.887
  434    H    ASP  60           H        ASP  60  -0.311  -4.912  -1.993
  435    HA   ASP  60           HA       ASP  60   0.529  -2.873  -0.130
  436   1HB   ASP  60          2HB       ASP  60  -0.436  -5.050   0.655
  437   2HB   ASP  60          1HB       ASP  60   0.969  -5.862  -0.034
  438    H    ALA  61           H        ALA  61   2.441  -2.056  -0.084
  439    HA   ALA  61           HA       ALA  61   4.444  -3.142  -1.956
  440   1HB   ALA  61          1HB       ALA  61   3.509  -0.980  -2.576
  441   2HB   ALA  61          2HB       ALA  61   5.236  -0.879  -2.234
  442   3HB   ALA  61          3HB       ALA  61   4.067  -0.305  -1.045
  443    H    SER  62           H        SER  62   4.114  -3.762   1.006
  444    HA   SER  62           HA       SER  62   5.909  -2.309   2.499
  445   1HB   SER  62          2HB       SER  62   5.194  -5.222   2.891
  446   2HB   SER  62          1HB       SER  62   5.915  -4.146   4.095
  447    HG   SER  62           HG       SER  62   3.386  -4.075   2.915
  448    H    ARG  63           H        ARG  63   6.634  -5.161   0.487
  449    HA   ARG  63           HA       ARG  63   9.343  -5.408   1.333
  450   1HB   ARG  63          2HB       ARG  63   8.190  -7.222   0.055
  451   2HB   ARG  63          1HB       ARG  63   8.236  -6.204  -1.382
  452   1HG   ARG  63          2HG       ARG  63  10.809  -6.137  -0.960
  453   2HG   ARG  63          1HG       ARG  63  10.510  -7.545   0.048
  454   1HD   ARG  63          2HD       ARG  63   9.856  -7.287  -2.881
  455   2HD   ARG  63          1HD       ARG  63  11.224  -8.153  -2.206
  456    HE   ARG  63           HE       ARG  63   8.980  -9.248  -1.063
  457   1HH1  ARG  63          1HH1      ARG  63  10.403  -8.930  -4.327
  458   2HH1  ARG  63          2HH1      ARG  63   9.596 -10.260  -4.966
  459   1HH2  ARG  63          1HH2      ARG  63   7.895 -11.145  -1.988
  460   2HH2  ARG  63          2HH2      ARG  63   8.145 -11.562  -3.623
  461    H    ALA  64           H        ALA  64   7.810  -3.395  -1.136
  462    HA   ALA  64           HA       ALA  64  10.213  -2.946  -2.654
  463   1HB   ALA  64          1HB       ALA  64   8.867  -1.332  -3.918
  464   2HB   ALA  64          2HB       ALA  64   7.561  -1.495  -2.742
  465   3HB   ALA  64          3HB       ALA  64   8.028  -2.871  -3.745
  466    H    LEU  65           H        LEU  65   8.408  -1.376  -0.234
  467    HA   LEU  65           HA       LEU  65   9.598   1.133  -0.037
  468   1HB   LEU  65          2HB       LEU  65   8.732  -0.786   2.022
  469   2HB   LEU  65          1HB       LEU  65   8.962   0.921   2.319
  470    HG   LEU  65           HG       LEU  65   6.832  -0.371   0.606
  471   1HD1  LEU  65          1HD1      LEU  65   6.714  -0.709   3.040
  472   2HD1  LEU  65          2HD1      LEU  65   5.380   0.222   2.369
  473   3HD1  LEU  65          3HD1      LEU  65   6.676   1.041   3.245
  474   1HD2  LEU  65          1HD2      LEU  65   7.449   1.952  -0.129
  475   2HD2  LEU  65          2HD2      LEU  65   7.011   2.471   1.530
  476   3HD2  LEU  65          3HD2      LEU  65   5.808   1.763   0.502
  477    H    GLY  66           H        GLY  66  10.364  -1.985   1.472
  478   1HA   GLY  66          2HA       GLY  66  12.588  -1.029   2.947
  479   2HA   GLY  66          1HA       GLY  66  12.131  -2.709   2.744
  480    H    LYS  67           H        LYS  67  12.231  -2.550  -0.163
  481    HA   LYS  67           HA       LYS  67  15.045  -3.110  -0.502
  482   1HB   LYS  67          2HB       LYS  67  13.019  -2.729  -2.706
  483   2HB   LYS  67          1HB       LYS  67  14.535  -3.588  -2.808
  484   1HG   LYS  67          2HG       LYS  67  12.057  -4.425  -1.331
  485   2HG   LYS  67          1HG       LYS  67  12.695  -5.117  -2.821
  486   1HD   LYS  67          2HD       LYS  67  13.990  -5.210  -0.089
  487   2HD   LYS  67          1HD       LYS  67  13.159  -6.532  -0.910
  488   1HE   LYS  67          2HE       LYS  67  14.861  -6.448  -2.697
  489   2HE   LYS  67          1HE       LYS  67  15.612  -5.123  -1.793
  490   1HZ   LYS  67          1HZ       LYS  67  15.277  -7.848  -0.682
  491   2HZ   LYS  67          2HZ       LYS  67  16.093  -6.528   0.011
  492   3HZ   LYS  67          3HZ       LYS  67  16.707  -7.261  -1.375
  493    H    MET  68           H        MET  68  12.854  -0.558  -1.153
  494    HA   MET  68           HA       MET  68  12.947   1.460  -1.906
  495   1HB   MET  68          2HB       MET  68  15.985   1.298  -1.810
  496   2HB   MET  68          1HB       MET  68  15.055   2.765  -2.073
  497   1HG   MET  68          2HG       MET  68  14.002   2.321   0.209
  498   2HG   MET  68          1HG       MET  68  15.215   1.091   0.395
  499   1HE   MET  68          1HE       MET  68  16.355   5.545  -0.106
  500   2HE   MET  68          2HE       MET  68  14.691   4.966  -0.138
  501   3HE   MET  68          3HE       MET  68  15.798   4.550  -1.447
  502    H    SER  69           H        SER  69  11.955   0.311  -3.526
  503    HA   SER  69           HA       SER  69  13.033   0.621  -6.069
  504   1HB   SER  69          2HB       SER  69  12.301  -2.097  -4.922
  505   2HB   SER  69          1HB       SER  69  12.704  -1.761  -6.590
  506    HG   SER  69           HG       SER  69  14.647  -0.841  -5.011
  507    H    LYS  70           H        LYS  70  11.012  -0.760  -7.222
  508    HA   LYS  70           HA       LYS  70   8.586   0.072  -5.966
  509   1HB   LYS  70          2HB       LYS  70   8.222   1.819  -7.861
  510   2HB   LYS  70          1HB       LYS  70   9.137   2.236  -6.405
  511   1HG   LYS  70          2HG       LYS  70  11.152   1.829  -7.460
  512   2HG   LYS  70          1HG       LYS  70  10.443   1.264  -8.933
  513   1HD   LYS  70          2HD       LYS  70  11.160   3.553  -9.280
  514   2HD   LYS  70          1HD       LYS  70   9.410   3.614  -9.056
  515   1HE   LYS  70          2HE       LYS  70   9.669   4.260  -6.740
  516   2HE   LYS  70          1HE       LYS  70  11.419   4.075  -6.854
  517   1HZ   LYS  70          1HZ       LYS  70  10.729   6.408  -7.013
  518   2HZ   LYS  70          2HZ       LYS  70   9.794   6.017  -8.383
  519   3HZ   LYS  70          3HZ       LYS  70  11.463   5.879  -8.439
  520    H    ASN  71           H        ASN  71  10.208  -1.380  -8.659
  521    HA   ASN  71           HA       ASN  71   7.913  -1.900 -10.240
  522   1HB   ASN  71          2HB       ASN  71   9.177  -3.877 -11.199
  523   2HB   ASN  71          1HB       ASN  71  10.137  -2.370 -11.278
  524   1HD2  ASN  71          1HD2      ASN  71  10.558  -3.017  -8.263
  525   2HD2  ASN  71          2HD2      ASN  71  11.731  -4.217  -8.266
  526    H    GLU  72           H        GLU  72   6.542  -3.710 -10.411
  527    HA   GLU  72           HA       GLU  72   5.509  -4.572  -7.971
  528   1HB   GLU  72          2HB       GLU  72   4.940  -5.683 -10.713
  529   2HB   GLU  72          1HB       GLU  72   4.010  -6.057  -9.271
  530   1HG   GLU  72          2HG       GLU  72   3.450  -3.696  -9.017
  531   2HG   GLU  72          1HG       GLU  72   4.352  -3.332 -10.489
  532    H    GLU  73           H        GLU  73   8.151  -5.718  -9.436
  533    HA   GLU  73           HA       GLU  73   8.015  -8.521  -9.119
  534   1HB   GLU  73          2HB       GLU  73   9.455  -7.414 -10.735
  535   2HB   GLU  73          1HB       GLU  73  10.229  -6.499  -9.467
  536   1HG   GLU  73          2HG       GLU  73  11.662  -8.246 -10.251
  537   2HG   GLU  73          1HG       GLU  73  11.159  -8.472  -8.574
  538    H    ASP  74           H        ASP  74   8.989  -5.699  -7.273
  539    HA   ASP  74           HA       ASP  74   9.401  -7.449  -5.028
  540   1HB   ASP  74          2HB       ASP  74  10.551  -5.383  -4.159
  541   2HB   ASP  74          1HB       ASP  74  11.554  -6.579  -5.034
  542    H    VAL  75           H        VAL  75   7.111  -5.609  -6.116
  543    HA   VAL  75           HA       VAL  75   6.482  -4.285  -3.592
  544    HB   VAL  75           HB       VAL  75   4.685  -4.634  -6.047
  545   1HG1  VAL  75          1HG1      VAL  75   3.512  -2.702  -5.236
  546   2HG1  VAL  75          2HG1      VAL  75   4.559  -2.610  -3.842
  547   3HG1  VAL  75          3HG1      VAL  75   3.441  -3.990  -4.020
  548   1HG2  VAL  75          1HG2      VAL  75   5.286  -2.409  -6.668
  549   2HG2  VAL  75          2HG2      VAL  75   6.708  -3.486  -6.619
  550   3HG2  VAL  75          3HG2      VAL  75   6.421  -2.326  -5.315
  551    H    SER  76           H        SER  76   6.037  -5.696  -1.986
  552    HA   SER  76           HA       SER  76   4.009  -7.730  -2.379
  553   1HB   SER  76          2HB       SER  76   6.087  -8.740  -3.164
  554   2HB   SER  76          1HB       SER  76   6.866  -8.386  -1.636
  555    HG   SER  76           HG       SER  76   6.181 -10.343  -1.115
  556    HA   PRO  77           HA       PRO  77   3.365  -6.657   1.948
  557   1HB   PRO  77          2HB       PRO  77   1.542  -8.506   2.563
  558   2HB   PRO  77          1HB       PRO  77   1.172  -7.171   1.471
  559   1HG   PRO  77          2HG       PRO  77   1.808 -10.025   0.853
  560   2HG   PRO  77          1HG       PRO  77   0.619  -8.956   0.095
  561   1HD   PRO  77          2HD       PRO  77   3.095  -9.526  -0.965
  562   2HD   PRO  77          1HD       PRO  77   2.155  -8.063  -1.330
  563    H    SER  78           H        SER  78   4.564  -9.765   1.041
  564    HA   SER  78           HA       SER  78   4.408 -11.101   3.619
  565   1HB   SER  78          2HB       SER  78   4.537 -12.262   1.337
  566   2HB   SER  78          1HB       SER  78   6.230 -11.711   1.399
  567    HG   SER  78           HG       SER  78   4.916 -13.545   3.091
  568    H    LEU  79           H        LEU  79   7.104  -9.402   2.209
  569    HA   LEU  79           HA       LEU  79   8.921  -8.649   3.273
  570   1HB   LEU  79          2HB       LEU  79   7.328  -9.384   5.691
  571   2HB   LEU  79          1HB       LEU  79   8.814  -8.538   5.853
  572    HG   LEU  79           HG       LEU  79   6.151  -7.635   4.903
  573   1HD1  LEU  79          1HD1      LEU  79   6.781  -7.138   7.194
  574   2HD1  LEU  79          2HD1      LEU  79   6.577  -5.674   6.241
  575   3HD1  LEU  79          3HD1      LEU  79   8.186  -6.237   6.617
  576   1HD2  LEU  79          1HD2      LEU  79   7.513  -7.163   3.026
  577   2HD2  LEU  79          2HD2      LEU  79   8.706  -6.304   4.028
  578   3HD2  LEU  79          3HD2      LEU  79   7.061  -5.663   3.834
  579    H    GLU  80           H        GLU  80   8.577 -10.998   2.308
  580    HA   GLU  80           HA       GLU  80   9.132 -13.335   3.610
  581   1HB   GLU  80          2HB       GLU  80   9.785 -14.129   1.289
  582   2HB   GLU  80          1HB       GLU  80   8.167 -13.491   1.517
  583   1HG   GLU  80          2HG       GLU  80  10.407 -11.789   0.430
  584   2HG   GLU  80          1HG       GLU  80   9.478 -12.765  -0.643
  585    H    GLY  81           H        GLY  81  11.537 -11.607   1.576
  586   1HA   GLY  81          2HA       GLY  81  13.577 -13.071   3.090
  587   2HA   GLY  81          1HA       GLY  81  13.717 -12.705   1.376
  588    H    LEU  82           H        LEU  82  13.234 -11.068   4.479
  589    HA   LEU  82           HA       LEU  82  14.978  -8.937   3.565
  590   1HB   LEU  82          2HB       LEU  82  12.248  -8.655   4.779
  591   2HB   LEU  82          1HB       LEU  82  13.375  -7.336   4.540
  592    HG   LEU  82           HG       LEU  82  12.216  -8.984   2.281
  593   1HD1  LEU  82          1HD1      LEU  82  10.533  -7.632   3.484
  594   2HD1  LEU  82          2HD1      LEU  82  10.886  -7.072   1.837
  595   3HD1  LEU  82          3HD1      LEU  82  11.581  -6.219   3.230
  596   1HD2  LEU  82          1HD2      LEU  82  14.420  -7.881   1.946
  597   2HD2  LEU  82          2HD2      LEU  82  13.558  -6.363   2.332
  598   3HD2  LEU  82          3HD2      LEU  82  13.099  -7.296   0.913
  599    H    THR  83           H        THR  83  16.479  -8.591   5.048
  600    HA   THR  83           HA       THR  83  16.317  -9.650   7.693
  601    HB   THR  83           HB       THR  83  18.505  -8.445   7.938
  602    HG1  THR  83           1HG      THR  83  19.288  -7.632   5.812
  603   1HG2  THR  83          1HG2      THR  83  19.744  -9.798   6.311
  604   2HG2  THR  83          2HG2      THR  83  18.253 -10.088   5.413
  605   3HG2  THR  83          3HG2      THR  83  18.439 -10.731   7.047
  606    H    GLU  84           H        GLU  84  17.005  -7.885   9.493
  607    HA   GLU  84           HA       GLU  84  14.817  -6.143   9.631
  608   1HB   GLU  84          2HB       GLU  84  17.305  -6.188  11.286
  609   2HB   GLU  84          1HB       GLU  84  15.901  -5.183  11.647
  610   1HG   GLU  84          2HG       GLU  84  14.526  -7.226  11.737
  611   2HG   GLU  84          1HG       GLU  84  16.015  -8.119  11.436
  612    H    LYS  85           H        LYS  85  18.035  -5.675   8.489
  613    HA   LYS  85           HA       LYS  85  18.227  -2.894   8.271
  614   1HB   LYS  85          2HB       LYS  85  19.978  -4.392   7.534
  615   2HB   LYS  85          1HB       LYS  85  18.935  -5.041   6.278
  616   1HG   LYS  85          2HG       LYS  85  18.813  -2.673   5.393
  617   2HG   LYS  85          1HG       LYS  85  20.194  -2.325   6.435
  618   1HD   LYS  85          2HD       LYS  85  20.022  -4.440   4.326
  619   2HD   LYS  85          1HD       LYS  85  20.909  -2.924   4.160
  620   1HE   LYS  85          2HE       LYS  85  21.522  -5.122   6.161
  621   2HE   LYS  85          1HE       LYS  85  22.458  -4.763   4.716
  622   1HZ   LYS  85          1HZ       LYS  85  22.100  -2.940   7.041
  623   2HZ   LYS  85          2HZ       LYS  85  22.975  -2.587   5.653
  624   3HZ   LYS  85          3HZ       LYS  85  23.485  -3.819   6.667
  625    H    GLU  86           H        GLU  86  16.855  -5.229   6.027
  626    HA   GLU  86           HA       GLU  86  15.908  -3.541   4.053
  627   1HB   GLU  86          2HB       GLU  86  15.370  -6.261   5.043
  628   2HB   GLU  86          1HB       GLU  86  14.581  -5.701   3.611
  629   1HG   GLU  86          2HG       GLU  86  17.549  -6.017   4.092
  630   2HG   GLU  86          1HG       GLU  86  16.541  -7.056   3.088
  631    H    ILE  87           H        ILE  87  14.340  -5.291   6.624
  632    HA   ILE  87           HA       ILE  87  11.736  -4.462   6.230
  633    HB   ILE  87           HB       ILE  87  13.279  -5.464   8.516
  634   1HG1  ILE  87          2HG1      ILE  87  12.922  -7.018   6.725
  635   2HG1  ILE  87          1HG1      ILE  87  12.070  -7.558   8.164
  636   1HG2  ILE  87          1HG2      ILE  87  11.429  -4.195   9.499
  637   2HG2  ILE  87          2HG2      ILE  87  11.096  -5.927   9.706
  638   3HG2  ILE  87          3HG2      ILE  87  10.296  -5.008   8.417
  639   1HD1  ILE  87          1HD1      ILE  87  10.024  -6.692   7.283
  640   2HD1  ILE  87          2HD1      ILE  87  10.740  -7.905   6.212
  641   3HD1  ILE  87          3HD1      ILE  87  10.832  -6.186   5.794
  642    H    ASN  88           H        ASN  88  14.219  -3.175   8.453
  643    HA   ASN  88           HA       ASN  88  12.694  -1.207   9.704
  644   1HB   ASN  88          2HB       ASN  88  15.606  -1.591   9.274
  645   2HB   ASN  88          1HB       ASN  88  15.026  -0.066   9.947
  646   1HD2  ASN  88          1HD2      ASN  88  16.568  -2.532  11.114
  647   2HD2  ASN  88          2HD2      ASN  88  15.645  -2.885  12.529
  648    H    THR  89           H        THR  89  14.313  -1.206   6.695
  649    HA   THR  89           HA       THR  89  14.225   1.537   6.242
  650    HB   THR  89           HB       THR  89  14.132  -0.728   4.233
  651    HG1  THR  89           1HG      THR  89  15.984  -0.889   5.521
  652   1HG2  THR  89          1HG2      THR  89  15.102   0.940   2.720
  653   2HG2  THR  89          2HG2      THR  89  14.956   2.140   4.030
  654   3HG2  THR  89          3HG2      THR  89  13.501   1.418   3.320
  655    H    LEU  90           H        LEU  90  11.797  -1.040   5.721
  656    HA   LEU  90           HA       LEU  90  10.070   0.664   4.165
  657   1HB   LEU  90          2HB       LEU  90   8.809  -1.185   3.802
  658   2HB   LEU  90          1HB       LEU  90  10.209  -2.049   4.422
  659    HG   LEU  90           HG       LEU  90   8.879  -1.551   6.653
  660   1HD1  LEU  90          1HD1      LEU  90   6.674  -1.854   4.652
  661   2HD1  LEU  90          2HD1      LEU  90   7.027  -0.438   5.635
  662   3HD1  LEU  90          3HD1      LEU  90   6.486  -1.933   6.407
  663   1HD2  LEU  90          1HD2      LEU  90   9.678  -3.689   5.970
  664   2HD2  LEU  90          2HD2      LEU  90   8.347  -3.773   4.777
  665   3HD2  LEU  90          3HD2      LEU  90   7.988  -3.798   6.517
  666    H    ASN  91           H        ASN  91  10.466  -0.436   7.393
  667    HA   ASN  91           HA       ASN  91   8.205   0.548   8.613
  668   1HB   ASN  91          2HB       ASN  91  11.008   0.201   9.629
  669   2HB   ASN  91          1HB       ASN  91   9.701   0.735  10.664
  670   1HD2  ASN  91          1HD2      ASN  91  11.319  -1.756  10.755
  671   2HD2  ASN  91          2HD2      ASN  91  10.178  -3.033  10.664
  672    H    ASP  92           H        ASP  92  11.114   2.281   7.699
  673    HA   ASP  92           HA       ASP  92  10.352   4.802   8.807
  674   1HB   ASP  92          2HB       ASP  92  12.678   4.344   8.087
  675   2HB   ASP  92          1HB       ASP  92  12.121   4.169   6.427
  676    H    TRP  93           H        TRP  93  10.096   3.321   5.637
  677    HA   TRP  93           HA       TRP  93   8.769   5.264   4.136
  678   1HB   TRP  93          2HB       TRP  93   9.215   2.441   4.191
  679   2HB   TRP  93          1HB       TRP  93   7.998   2.804   3.062
  680    HD1  TRP  93           HD       TRP  93  11.698   2.924   3.765
  681    HE1  TRP  93           1HE      TRP  93  13.038   3.656   1.698
  682    HE3  TRP  93           3HE      TRP  93   7.839   4.419   0.807
  683    HZ2  TRP  93           2HZ      TRP  93  12.521   4.719  -0.867
  684    HZ3  TRP  93           3HZ      TRP  93   8.334   5.281  -1.446
  685    HH2  TRP  93           HH       TRP  93  10.630   5.428  -2.264
  686    H    GLU  94           H        GLU  94   7.399   2.728   6.072
  687    HA   GLU  94           HA       GLU  94   4.725   3.065   5.454
  688   1HB   GLU  94          2HB       GLU  94   5.774   1.264   6.817
  689   2HB   GLU  94          1HB       GLU  94   5.890   2.407   8.145
  690   1HG   GLU  94          2HG       GLU  94   3.420   2.699   7.972
  691   2HG   GLU  94          1HG       GLU  94   3.506   1.367   6.787
  692    H    THR  95           H        THR  95   6.573   4.479   8.134
  693    HA   THR  95           HA       THR  95   4.716   6.073   9.344
  694    HB   THR  95           HB       THR  95   7.666   6.554   9.012
  695    HG1  THR  95           1HG      THR  95   7.846   4.694  10.099
  696   1HG2  THR  95          1HG2      THR  95   5.747   7.230  11.271
  697   2HG2  THR  95          2HG2      THR  95   6.466   8.385  10.151
  698   3HG2  THR  95          3HG2      THR  95   7.487   7.518  11.297
  699    H    LYS  96           H        LYS  96   6.513   6.566   6.401
  700    HA   LYS  96           HA       LYS  96   6.248   9.422   6.392
  701   1HB   LYS  96          2HB       LYS  96   7.227   7.494   4.278
  702   2HB   LYS  96          1HB       LYS  96   7.356   9.254   4.188
  703   1HG   LYS  96          2HG       LYS  96   8.495   7.626   6.410
  704   2HG   LYS  96          1HG       LYS  96   9.481   8.031   5.039
  705   1HD   LYS  96          2HD       LYS  96   9.120  10.438   5.553
  706   2HD   LYS  96          1HD       LYS  96   8.089   9.977   6.899
  707   1HE   LYS  96          2HE       LYS  96  10.316  10.580   7.681
  708   2HE   LYS  96          1HE       LYS  96   9.961   8.885   7.991
  709   1HZ   LYS  96          1HZ       LYS  96  11.361   8.274   6.118
  710   2HZ   LYS  96          2HZ       LYS  96  12.206   9.242   7.175
  711   3HZ   LYS  96          3HZ       LYS  96  11.626   9.901   5.747
  712    H    PHE  97           H        PHE  97   4.819   6.686   4.841
  713    HA   PHE  97           HA       PHE  97   2.905   8.148   3.362
  714   1HB   PHE  97          2HB       PHE  97   3.206   5.328   4.267
  715   2HB   PHE  97          1HB       PHE  97   1.728   5.827   3.479
  716    HD1  PHE  97           1HD      PHE  97   5.418   6.223   2.948
  717    HD2  PHE  97           2HD      PHE  97   1.643   5.328   1.214
  718    HE1  PHE  97           1HE      PHE  97   6.509   5.839   0.788
  719    HE2  PHE  97           2HE      PHE  97   2.736   4.937  -0.957
  720    HZ   PHE  97           HZ       PHE  97   5.170   5.192  -1.170
  721    H    GLU  98           H        GLU  98   2.957   6.621   6.492
  722    HA   GLU  98           HA       GLU  98   0.384   6.956   7.432
  723   1HB   GLU  98          2HB       GLU  98   3.054   6.744   8.561
  724   2HB   GLU  98          1HB       GLU  98   1.867   7.169   9.732
  725   1HG   GLU  98          2HG       GLU  98   1.872   4.732   7.959
  726   2HG   GLU  98          1HG       GLU  98   2.287   4.760   9.664
  727    H    ALA  99           H        ALA  99   2.833   9.442   7.102
  728    HA   ALA  99           HA       ALA  99   1.110  11.205   8.694
  729   1HB   ALA  99          1HB       ALA  99   3.976  11.628   7.959
  730   2HB   ALA  99          2HB       ALA  99   3.418  10.942   9.491
  731   3HB   ALA  99          3HB       ALA  99   3.016  12.610   9.068
  732    H    LYS 100           H        LYS 100   1.966  10.547   5.503
  733    HA   LYS 100           HA       LYS 100   1.475  13.322   4.781
  734   1HB   LYS 100          2HB       LYS 100   3.079  11.176   3.430
  735   2HB   LYS 100          1HB       LYS 100   2.426  12.477   2.474
  736   1HG   LYS 100          2HG       LYS 100   4.740  12.904   3.058
  737   2HG   LYS 100          1HG       LYS 100   3.679  14.101   3.777
  738   1HD   LYS 100          2HD       LYS 100   3.864  12.987   5.934
  739   2HD   LYS 100          1HD       LYS 100   4.857  11.719   5.213
  740   1HE   LYS 100          2HE       LYS 100   6.509  13.351   4.593
  741   2HE   LYS 100          1HE       LYS 100   5.558  14.644   5.306
  742   1HZ   LYS 100          1HZ       LYS 100   6.694  12.352   6.879
  743   2HZ   LYS 100          2HZ       LYS 100   5.814  13.641   7.491
  744   3HZ   LYS 100          3HZ       LYS 100   7.313  13.902   6.839
  745    H    TYR 101           H        TYR 101   0.499  10.001   4.217
  746    HA   TYR 101           HA       TYR 101  -1.767  11.025   2.719
  747   1HB   TYR 101          2HB       TYR 101  -0.523   8.280   2.830
  748   2HB   TYR 101          1HB       TYR 101  -1.996   8.691   1.967
  749    HD1  TYR 101           1HD      TYR 101   1.176   7.809   1.311
  750    HD2  TYR 101           2HD      TYR 101  -1.403  11.119   0.573
  751    HE1  TYR 101           1HE      TYR 101   2.523   8.414  -0.635
  752    HE2  TYR 101           2HE      TYR 101  -0.064  11.739  -1.382
  753    HH   TYR 101           HH       TYR 101   2.233  11.440  -2.135
  754    HA   PRO 102           HA       PRO 102  -4.117   9.808   6.212
  755   1HB   PRO 102          2HB       PRO 102  -6.581   9.734   5.107
  756   2HB   PRO 102          1HB       PRO 102  -5.764  11.246   5.514
  757   1HG   PRO 102          2HG       PRO 102  -6.167   9.941   2.898
  758   2HG   PRO 102          1HG       PRO 102  -6.071  11.658   3.322
  759   1HD   PRO 102          2HD       PRO 102  -3.988  10.188   2.177
  760   2HD   PRO 102          1HD       PRO 102  -3.810  11.725   3.039
  761    H    VAL 103           H        VAL 103  -4.158   7.882   6.968
  762    HA   VAL 103           HA       VAL 103  -4.481   5.626   5.234
  763    HB   VAL 103           HB       VAL 103  -2.819   5.463   7.054
  764   1HG1  VAL 103          1HG1      VAL 103  -3.868   6.740   8.775
  765   2HG1  VAL 103          2HG1      VAL 103  -3.406   5.124   9.333
  766   3HG1  VAL 103          3HG1      VAL 103  -5.100   5.480   8.981
  767   1HG2  VAL 103          1HG2      VAL 103  -3.696   3.395   6.192
  768   2HG2  VAL 103          2HG2      VAL 103  -5.011   3.428   7.380
  769   3HG2  VAL 103          3HG2      VAL 103  -3.328   3.275   7.910
  770    H    VAL 104           H        VAL 104  -6.301   5.420   4.461
  771    HA   VAL 104           HA       VAL 104  -8.697   6.041   5.985
  772    HB   VAL 104           HB       VAL 104  -9.846   6.027   3.835
  773   1HG1  VAL 104          1HG1      VAL 104  -7.351   7.736   3.919
  774   2HG1  VAL 104          2HG1      VAL 104  -8.893   8.114   4.686
  775   3HG1  VAL 104          3HG1      VAL 104  -8.770   8.067   2.928
  776   1HG2  VAL 104          1HG2      VAL 104  -7.106   5.516   2.666
  777   2HG2  VAL 104          2HG2      VAL 104  -8.541   5.939   1.736
  778   3HG2  VAL 104          3HG2      VAL 104  -8.484   4.414   2.625
  779    H    GLY 105           H        GLY 105  -6.974   3.309   5.455
  780   1HA   GLY 105          2HA       GLY 105  -9.251   1.753   6.111
  781   2HA   GLY 105          1HA       GLY 105  -8.763   1.502   4.458
  782    H    ARG 106           H        ARG 106  -8.813  -0.541   5.598
  783    HA   ARG 106           HA       ARG 106  -6.128  -1.466   6.414
  784   1HB   ARG 106          2HB       ARG 106  -7.577  -1.582   8.351
  785   2HB   ARG 106          1HB       ARG 106  -8.857  -2.069   7.239
  786   1HG   ARG 106          2HG       ARG 106  -8.151  -3.963   8.675
  787   2HG   ARG 106          1HG       ARG 106  -7.899  -4.264   6.963
  788   1HD   ARG 106          2HD       ARG 106  -6.051  -5.041   8.291
  789   2HD   ARG 106          1HD       ARG 106  -5.552  -3.731   7.217
  790    HE   ARG 106           HE       ARG 106  -6.371  -2.637   9.578
  791   1HH1  ARG 106          1HH1      ARG 106  -3.785  -4.783   8.442
  792   2HH1  ARG 106          2HH1      ARG 106  -2.655  -4.355   9.617
  793   1HH2  ARG 106          1HH2      ARG 106  -4.736  -1.997  11.268
  794   2HH2  ARG 106          2HH2      ARG 106  -3.199  -2.720  11.263
  795    H    VAL 107           H        VAL 107  -5.492  -2.916   4.906
  796    HA   VAL 107           HA       VAL 107  -7.626  -4.223   3.414
  797    HB   VAL 107           HB       VAL 107  -6.001  -2.999   1.989
  798   1HG1  VAL 107          1HG1      VAL 107  -3.774  -3.788   1.728
  799   2HG1  VAL 107          2HG1      VAL 107  -4.086  -4.961   3.042
  800   3HG1  VAL 107          3HG1      VAL 107  -4.142  -3.202   3.376
  801   1HG2  VAL 107          1HG2      VAL 107  -5.891  -5.985   1.673
  802   2HG2  VAL 107          2HG2      VAL 107  -5.483  -4.807   0.427
  803   3HG2  VAL 107          3HG2      VAL 107  -7.138  -4.910   1.038
  804    H    VAL 108           H        VAL 108  -7.911  -6.253   3.594
  805    HA   VAL 108           HA       VAL 108  -6.082  -7.750   5.291
  806    HB   VAL 108           HB       VAL 108  -8.004  -9.054   6.024
  807   1HG1  VAL 108          1HG1      VAL 108  -8.517  -6.149   5.906
  808   2HG1  VAL 108          2HG1      VAL 108  -7.477  -6.942   7.102
  809   3HG1  VAL 108          3HG1      VAL 108  -9.262  -7.201   7.111
  810   1HG2  VAL 108          1HG2      VAL 108  -9.614  -7.280   4.212
  811   2HG2  VAL 108          2HG2      VAL 108 -10.278  -8.455   5.336
  812   3HG2  VAL 108          3HG2      VAL 108  -9.334  -9.008   3.929
  813    H    SER 109           H        SER 109  -5.610  -9.852   4.632
  814    HA   SER 109           HA       SER 109  -6.226 -10.278   1.831
  815   1HB   SER 109          2HB       SER 109  -4.276  -8.944   1.902
  816   2HB   SER 109          1HB       SER 109  -3.556  -9.954   3.142
  817    HG   SER 109           HG       SER 109  -3.060 -11.418   1.675
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1 -15.593  -3.264  -8.852
    2   2H    MET   1          2HT       MET   1 -15.097  -1.997  -9.849
    3   3H    MET   1          3HT       MET   1 -15.458  -3.503 -10.521
    4    HA   MET   1           HA       MET   1 -17.210  -1.892 -10.889
    5   1HB   MET   1          2HB       MET   1 -17.983  -4.122  -8.974
    6   2HB   MET   1          1HB       MET   1 -19.097  -3.223  -9.982
    7   1HG   MET   1          2HG       MET   1 -18.701  -5.351 -10.996
    8   2HG   MET   1          1HG       MET   1 -17.948  -4.113 -11.991
    9   1HE   MET   1          1HE       MET   1 -17.390  -7.103  -9.501
   10   2HE   MET   1          2HE       MET   1 -16.678  -5.767  -8.604
   11   3HE   MET   1          3HE       MET   1 -15.648  -7.049  -9.237
   12    H    GLY   2           H        GLY   2 -17.882  -0.021 -10.205
   13   1HA   GLY   2          2HA       GLY   2 -19.009   1.396  -8.759
   14   2HA   GLY   2          1HA       GLY   2 -18.690   0.283  -7.437
   15    H    HIS   3           H        HIS   3 -18.340   3.126  -7.550
   16    HA   HIS   3           HA       HIS   3 -15.499   3.657  -7.580
   17   1HB   HIS   3          2HB       HIS   3 -17.182   5.383  -8.204
   18   2HB   HIS   3          1HB       HIS   3 -17.812   5.338  -6.564
   19    HD1  HIS   3           1HD      HIS   3 -16.670   6.837  -4.860
   20    HD2  HIS   3           2HD      HIS   3 -14.563   6.568  -8.433
   21    HE1  HIS   3           1HE      HIS   3 -14.876   8.554  -4.710
   22    HE2  HIS   3           2HE      HIS   3 -13.782   8.551  -6.947
   23    H    HIS   4           H        HIS   4 -17.822   2.498  -5.405
   24    HA   HIS   4           HA       HIS   4 -17.800   1.676  -3.379
   25   1HB   HIS   4          2HB       HIS   4 -14.815   1.870  -3.633
   26   2HB   HIS   4          1HB       HIS   4 -15.560   1.345  -2.131
   27    HD1  HIS   4           1HD      HIS   4 -15.223  -1.140  -2.060
   28    HD2  HIS   4           2HD      HIS   4 -16.396   0.179  -5.830
   29    HE1  HIS   4           1HE      HIS   4 -15.581  -3.200  -3.417
   30    HE2  HIS   4           2HE      HIS   4 -16.049  -2.363  -5.749
   31    H    HIS   5           H        HIS   5 -19.053   2.949  -2.413
   32    HA   HIS   5           HA       HIS   5 -17.940   5.155  -0.891
   33   1HB   HIS   5          2HB       HIS   5 -20.100   5.483  -2.152
   34   2HB   HIS   5          1HB       HIS   5 -20.822   4.208  -1.186
   35    HD1  HIS   5           1HD      HIS   5 -22.156   5.052   0.719
   36    HD2  HIS   5           2HD      HIS   5 -19.171   7.721  -0.372
   37    HE1  HIS   5           1HE      HIS   5 -22.502   7.086   2.158
   38    HE2  HIS   5           2HE      HIS   5 -20.511   8.515   1.689
   39    H    HIS   6           H        HIS   6 -16.853   4.182   0.668
   40    HA   HIS   6           HA       HIS   6 -17.954   1.818   1.832
   41   1HB   HIS   6          2HB       HIS   6 -15.666   1.628   2.993
   42   2HB   HIS   6          1HB       HIS   6 -15.864   1.214   1.291
   43    HD1  HIS   6           1HD      HIS   6 -14.211   3.774   3.576
   44    HD2  HIS   6           2HD      HIS   6 -14.438   2.810  -0.473
   45    HE1  HIS   6           1HE      HIS   6 -12.397   5.065   2.459
   46    HE2  HIS   6           2HE      HIS   6 -12.435   4.326   0.045
   47    H    HIS   7           H        HIS   7 -18.973   1.629   3.370
   48    HA   HIS   7           HA       HIS   7 -19.403   3.577   5.413
   49   1HB   HIS   7          2HB       HIS   7 -20.937   1.862   6.381
   50   2HB   HIS   7          1HB       HIS   7 -21.235   2.144   4.671
   51    HD1  HIS   7           1HD      HIS   7 -20.773  -0.536   7.056
   52    HD2  HIS   7           2HD      HIS   7 -20.041  -0.031   3.003
   53    HE1  HIS   7           1HE      HIS   7 -20.457  -2.843   6.136
   54    HE2  HIS   7           2HE      HIS   7 -19.894  -2.506   3.715
   55    H    HIS   8           H        HIS   8 -18.375   3.815   7.272
   56    HA   HIS   8           HA       HIS   8 -17.006   3.565   9.046
   57   1HB   HIS   8          2HB       HIS   8 -17.019   0.585   8.417
   58   2HB   HIS   8          1HB       HIS   8 -16.256   1.286   9.829
   59    HD1  HIS   8           1HD      HIS   8 -17.792   1.859  11.804
   60    HD2  HIS   8           2HD      HIS   8 -19.827   0.471   8.469
   61    HE1  HIS   8           1HE      HIS   8 -20.123   1.371  12.590
   62    HE2  HIS   8           2HE      HIS   8 -21.376   0.753  10.509
   63    H    LEU   9           H        LEU   9 -15.790   1.114   6.795
   64    HA   LEU   9           HA       LEU   9 -13.632   2.627   5.815
   65   1HB   LEU   9          2HB       LEU   9 -11.792   1.571   6.875
   66   2HB   LEU   9          1HB       LEU   9 -12.859   1.900   8.211
   67    HG   LEU   9           HG       LEU   9 -12.262  -0.756   6.914
   68   1HD1  LEU   9          1HD1      LEU   9 -10.590  -0.058   8.444
   69   2HD1  LEU   9          2HD1      LEU   9 -11.493  -1.412   9.123
   70   3HD1  LEU   9          3HD1      LEU   9 -11.798   0.226   9.697
   71   1HD2  LEU   9          1HD2      LEU   9 -14.604  -0.774   7.377
   72   2HD2  LEU   9          2HD2      LEU   9 -14.353  -0.242   9.051
   73   3HD2  LEU   9          3HD2      LEU   9 -13.776  -1.837   8.509
   74    H    GLU  10           H        GLU  10 -12.253   0.652   4.584
   75    HA   GLU  10           HA       GLU  10 -14.196  -1.452   4.208
   76   1HB   GLU  10          2HB       GLU  10 -14.439   0.257   2.365
   77   2HB   GLU  10          1HB       GLU  10 -12.841  -0.227   1.823
   78   1HG   GLU  10          2HG       GLU  10 -13.613  -2.511   1.567
   79   2HG   GLU  10          1HG       GLU  10 -15.191  -2.048   2.125
   80    H    GLU  11           H        GLU  11 -13.370  -3.455   4.053
   81    HA   GLU  11           HA       GLU  11 -10.588  -3.721   4.192
   82   1HB   GLU  11          2HB       GLU  11 -11.913  -5.065   5.605
   83   2HB   GLU  11          1HB       GLU  11 -12.916  -5.596   4.264
   84   1HG   GLU  11          2HG       GLU  11 -11.209  -6.783   3.315
   85   2HG   GLU  11          1HG       GLU  11  -9.977  -6.161   4.346
   86    H    PHE  12           H        PHE  12  -9.409  -4.100   2.570
   87    HA   PHE  12           HA       PHE  12 -10.608  -4.733  -0.004
   88   1HB   PHE  12          2HB       PHE  12  -8.134  -3.306   0.799
   89   2HB   PHE  12          1HB       PHE  12  -8.622  -3.958  -0.751
   90    HD1  PHE  12           1HD      PHE  12  -9.274  -1.396   1.820
   91    HD2  PHE  12           2HD      PHE  12 -10.320  -2.716  -2.082
   92    HE1  PHE  12           1HE      PHE  12 -10.485   0.705   1.442
   93    HE2  PHE  12           2HE      PHE  12 -11.536  -0.616  -2.467
   94    HZ   PHE  12           HZ       PHE  12 -11.621   1.098  -0.706
   95    H    THR  13           H        THR  13  -9.786  -6.507  -1.030
   96    HA   THR  13           HA       THR  13  -7.670  -7.902   0.384
   97    HB   THR  13           HB       THR  13  -9.155  -8.838  -2.076
   98    HG1  THR  13           1HG      THR  13  -9.867  -9.806   0.449
   99   1HG2  THR  13          1HG2      THR  13  -8.538 -11.041  -1.182
  100   2HG2  THR  13          2HG2      THR  13  -7.707 -10.194   0.160
  101   3HG2  THR  13          3HG2      THR  13  -7.138  -9.995  -1.498
  102    H    ALA  14           H        ALA  14  -5.757  -8.533  -0.761
  103    HA   ALA  14           HA       ALA  14  -4.442  -6.480  -2.047
  104   1HB   ALA  14          1HB       ALA  14  -2.685  -8.053  -2.568
  105   2HB   ALA  14          2HB       ALA  14  -3.781  -9.406  -2.280
  106   3HB   ALA  14          3HB       ALA  14  -3.317  -8.340  -0.950
  107    H    GLU  15           H        GLU  15  -5.961  -9.271  -3.623
  108    HA   GLU  15           HA       GLU  15  -5.132  -8.531  -6.228
  109   1HB   GLU  15          2HB       GLU  15  -7.412 -10.285  -5.357
  110   2HB   GLU  15          1HB       GLU  15  -6.810 -10.178  -7.002
  111   1HG   GLU  15          2HG       GLU  15  -4.608 -10.997  -6.196
  112   2HG   GLU  15          1HG       GLU  15  -5.300 -11.164  -4.586
  113    H    GLN  16           H        GLN  16  -7.902  -7.776  -4.296
  114    HA   GLN  16           HA       GLN  16  -9.394  -6.535  -6.401
  115   1HB   GLN  16          2HB       GLN  16  -9.731  -6.685  -3.426
  116   2HB   GLN  16          1HB       GLN  16 -10.760  -5.642  -4.378
  117   1HG   GLN  16          2HG       GLN  16 -11.900  -7.746  -3.939
  118   2HG   GLN  16          1HG       GLN  16 -11.519  -7.592  -5.645
  119   1HE2  GLN  16          1HE2      GLN  16 -10.842  -9.307  -2.733
  120   2HE2  GLN  16          2HE2      GLN  16  -9.984 -10.606  -3.485
  121    H    LEU  17           H        LEU  17  -7.184  -5.517  -3.948
  122    HA   LEU  17           HA       LEU  17  -7.594  -2.746  -3.881
  123   1HB   LEU  17          2HB       LEU  17  -6.155  -4.383  -2.422
  124   2HB   LEU  17          1HB       LEU  17  -4.901  -4.078  -3.589
  125    HG   LEU  17           HG       LEU  17  -4.468  -2.732  -1.666
  126   1HD1  LEU  17          1HD1      LEU  17  -3.950  -1.619  -3.649
  127   2HD1  LEU  17          2HD1      LEU  17  -4.533  -0.489  -2.406
  128   3HD1  LEU  17          3HD1      LEU  17  -5.592  -0.965  -3.743
  129   1HD2  LEU  17          1HD2      LEU  17  -6.619  -2.754  -0.656
  130   2HD2  LEU  17          2HD2      LEU  17  -7.238  -1.678  -1.922
  131   3HD2  LEU  17          3HD2      LEU  17  -6.007  -1.102  -0.791
  132    H    SER  18           H        SER  18  -5.851  -4.848  -6.069
  133    HA   SER  18           HA       SER  18  -4.166  -3.032  -7.329
  134   1HB   SER  18          2HB       SER  18  -5.380  -5.562  -8.414
  135   2HB   SER  18          1HB       SER  18  -3.953  -4.739  -9.058
  136    HG   SER  18           HG       SER  18  -3.540  -4.974  -6.507
  137    H    GLN  19           H        GLN  19  -7.553  -3.399  -7.654
  138    HA   GLN  19           HA       GLN  19  -7.686  -2.264 -10.300
  139   1HB   GLN  19          2HB       GLN  19  -9.777  -3.005  -8.278
  140   2HB   GLN  19          1HB       GLN  19 -10.189  -2.140  -9.747
  141   1HG   GLN  19          2HG       GLN  19 -10.596  -4.523  -9.883
  142   2HG   GLN  19          1HG       GLN  19  -9.434  -3.999 -11.102
  143   1HE2  GLN  19          1HE2      GLN  19  -9.999  -5.869  -8.270
  144   2HE2  GLN  19          2HE2      GLN  19  -8.488  -6.705  -8.285
  145    H    TYR  20           H        TYR  20  -7.075  -1.033  -7.363
  146    HA   TYR  20           HA       TYR  20  -8.320   1.574  -7.911
  147   1HB   TYR  20          2HB       TYR  20  -7.122   0.457  -5.372
  148   2HB   TYR  20          1HB       TYR  20  -7.830   2.060  -5.537
  149    HD1  TYR  20           1HD      TYR  20 -10.237   2.339  -5.706
  150    HD2  TYR  20           2HD      TYR  20  -8.502  -1.517  -5.340
  151    HE1  TYR  20           1HE      TYR  20 -12.444   1.402  -5.175
  152    HE2  TYR  20           2HE      TYR  20 -10.691  -2.465  -4.809
  153    HH   TYR  20           HH       TYR  20 -12.799  -1.762  -3.970
  154    H    ASN  21           H        ASN  21  -5.818   0.386  -9.121
  155    HA   ASN  21           HA       ASN  21  -3.631   1.809  -7.963
  156   1HB   ASN  21          2HB       ASN  21  -2.269   1.110  -9.855
  157   2HB   ASN  21          1HB       ASN  21  -3.241  -0.246  -9.312
  158   1HD2  ASN  21          1HD2      ASN  21  -4.804  -1.094 -10.699
  159   2HD2  ASN  21          2HD2      ASN  21  -4.929  -0.587 -12.343
  160    H    GLY  22           H        GLY  22  -6.074   2.712 -10.160
  161   1HA   GLY  22          2HA       GLY  22  -6.534   5.071 -10.237
  162   2HA   GLY  22          1HA       GLY  22  -4.797   5.377 -10.336
  163    H    THR  23           H        THR  23  -5.319   2.838 -12.244
  164    HA   THR  23           HA       THR  23  -5.471   4.519 -14.607
  165    HB   THR  23           HB       THR  23  -4.796   1.592 -14.225
  166    HG1  THR  23           1HG      THR  23  -2.942   3.529 -15.031
  167   1HG2  THR  23          1HG2      THR  23  -4.403   3.316 -16.691
  168   2HG2  THR  23          2HG2      THR  23  -5.587   2.017 -16.522
  169   3HG2  THR  23          3HG2      THR  23  -3.865   1.644 -16.515
  170    H    ASP  24           H        ASP  24  -7.603   3.146 -12.698
  171    HA   ASP  24           HA       ASP  24  -9.539   2.094 -14.526
  172   1HB   ASP  24          2HB       ASP  24  -9.505   1.764 -11.985
  173   2HB   ASP  24          1HB       ASP  24 -10.048   3.431 -11.847
  174    H    GLU  25           H        GLU  25 -11.883   3.660 -14.239
  175    HA   GLU  25           HA       GLU  25 -10.935   6.063 -15.456
  176   1HB   GLU  25          2HB       GLU  25 -13.486   4.533 -16.013
  177   2HB   GLU  25          1HB       GLU  25 -13.123   6.133 -16.635
  178   1HG   GLU  25          2HG       GLU  25 -11.191   5.153 -17.842
  179   2HG   GLU  25          1HG       GLU  25 -11.709   3.562 -17.278
  180    H    SER  26           H        SER  26 -10.642   6.374 -13.324
  181    HA   SER  26           HA       SER  26 -11.117   7.746 -11.672
  182   1HB   SER  26          2HB       SER  26 -13.849   7.694 -12.775
  183   2HB   SER  26          1HB       SER  26 -13.377   8.523 -11.296
  184    HG   SER  26           HG       SER  26 -11.660   9.018 -13.350
  185    H    LYS  27           H        LYS  27 -10.420   6.053 -10.381
  186    HA   LYS  27           HA       LYS  27 -12.422   5.574  -8.396
  187   1HB   LYS  27          2HB       LYS  27 -10.578   3.389  -9.415
  188   2HB   LYS  27          1HB       LYS  27 -11.315   3.324  -7.831
  189   1HG   LYS  27          2HG       LYS  27 -13.496   3.709  -9.385
  190   2HG   LYS  27          1HG       LYS  27 -12.456   2.830 -10.489
  191   1HD   LYS  27          2HD       LYS  27 -13.112   1.899  -7.681
  192   2HD   LYS  27          1HD       LYS  27 -13.873   1.291  -9.141
  193   1HE   LYS  27          2HE       LYS  27 -10.898   1.167  -8.738
  194   2HE   LYS  27          1HE       LYS  27 -11.964  -0.079  -8.093
  195   1HZ   LYS  27          1HZ       LYS  27 -12.691  -0.574 -10.279
  196   2HZ   LYS  27          2HZ       LYS  27 -11.005  -0.610 -10.289
  197   3HZ   LYS  27          3HZ       LYS  27 -11.815   0.666 -10.990
  198    HA   PRO  28           HA       PRO  28  -9.382   7.262  -5.800
  199   1HB   PRO  28          2HB       PRO  28  -9.762   5.782  -3.508
  200   2HB   PRO  28          1HB       PRO  28 -10.802   7.124  -3.997
  201   1HG   PRO  28          2HG       PRO  28 -11.210   4.188  -4.349
  202   2HG   PRO  28          1HG       PRO  28 -12.381   5.431  -3.877
  203   1HD   PRO  28          2HD       PRO  28 -12.282   4.447  -6.361
  204   2HD   PRO  28          1HD       PRO  28 -12.679   6.143  -6.071
  205    H    ILE  29           H        ILE  29  -7.341   6.853  -5.037
  206    HA   ILE  29           HA       ILE  29  -6.260   4.294  -5.953
  207    HB   ILE  29           HB       ILE  29  -4.721   6.878  -5.412
  208   1HG1  ILE  29          2HG1      ILE  29  -4.318   6.915  -7.883
  209   2HG1  ILE  29          1HG1      ILE  29  -5.528   5.649  -8.076
  210   1HG2  ILE  29          1HG2      ILE  29  -3.843   4.291  -6.661
  211   2HG2  ILE  29          2HG2      ILE  29  -3.367   4.902  -5.076
  212   3HG2  ILE  29          3HG2      ILE  29  -2.856   5.746  -6.540
  213   1HD1  ILE  29          1HD1      ILE  29  -5.927   8.461  -7.089
  214   2HD1  ILE  29          2HD1      ILE  29  -7.206   7.244  -7.207
  215   3HD1  ILE  29          3HD1      ILE  29  -6.383   7.816  -8.662
  216    H    TYR  30           H        TYR  30  -5.189   2.953  -4.531
  217    HA   TYR  30           HA       TYR  30  -5.062   3.936  -1.785
  218   1HB   TYR  30          2HB       TYR  30  -6.263   1.335  -2.690
  219   2HB   TYR  30          1HB       TYR  30  -5.861   1.685  -1.022
  220    HD1  TYR  30           1HD      TYR  30  -8.518   1.432  -3.108
  221    HD2  TYR  30           2HD      TYR  30  -6.820   4.250  -0.427
  222    HE1  TYR  30           1HE      TYR  30 -10.724   2.473  -2.809
  223    HE2  TYR  30           2HE      TYR  30  -9.020   5.297  -0.127
  224    HH   TYR  30           HH       TYR  30 -11.090   5.486  -1.348
  225    H    VAL  31           H        VAL  31  -3.303   3.511  -0.729
  226    HA   VAL  31           HA       VAL  31  -1.465   1.453  -1.766
  227    HB   VAL  31           HB       VAL  31  -0.756   4.064  -0.357
  228   1HG1  VAL  31          1HG1      VAL  31   0.776   2.235   0.297
  229   2HG1  VAL  31          2HG1      VAL  31   1.566   3.441  -0.732
  230   3HG1  VAL  31          3HG1      VAL  31   1.071   1.899  -1.419
  231   1HG2  VAL  31          1HG2      VAL  31  -1.399   4.270  -2.661
  232   2HG2  VAL  31          2HG2      VAL  31  -0.158   3.071  -3.090
  233   3HG2  VAL  31          3HG2      VAL  31   0.322   4.644  -2.416
  234    H    ALA  32           H        ALA  32  -0.729  -0.007  -0.303
  235    HA   ALA  32           HA       ALA  32  -1.659   0.404   2.429
  236   1HB   ALA  32          1HB       ALA  32  -2.971  -1.279   1.284
  237   2HB   ALA  32          2HB       ALA  32  -2.014  -1.976   2.592
  238   3HB   ALA  32          3HB       ALA  32  -1.507  -2.181   0.918
  239    H    ILE  33           H        ILE  33  -0.209   0.337   3.904
  240    HA   ILE  33           HA       ILE  33   2.292  -1.142   3.470
  241    HB   ILE  33           HB       ILE  33   2.046   1.503   4.981
  242   1HG1  ILE  33          2HG1      ILE  33   3.372   0.972   2.329
  243   2HG1  ILE  33          1HG1      ILE  33   1.865   1.848   2.511
  244   1HG2  ILE  33          1HG2      ILE  33   3.808   0.087   5.897
  245   2HG2  ILE  33          2HG2      ILE  33   4.542   1.421   4.973
  246   3HG2  ILE  33          3HG2      ILE  33   4.457  -0.171   4.278
  247   1HD1  ILE  33          1HD1      ILE  33   3.693   3.389   2.215
  248   2HD1  ILE  33          2HD1      ILE  33   4.562   2.643   3.551
  249   3HD1  ILE  33          3HD1      ILE  33   3.069   3.533   3.863
  250    H    LYS  34           H        LYS  34   2.416  -2.686   4.950
  251    HA   LYS  34           HA       LYS  34   2.028  -3.978   6.792
  252   1HB   LYS  34          2HB       LYS  34   1.580  -1.283   8.058
  253   2HB   LYS  34          1HB       LYS  34   1.577  -2.779   8.977
  254   1HG   LYS  34          2HG       LYS  34   3.850  -3.216   8.444
  255   2HG   LYS  34          1HG       LYS  34   3.893  -1.887   7.287
  256   1HD   LYS  34          2HD       LYS  34   3.439  -1.575  10.256
  257   2HD   LYS  34          1HD       LYS  34   4.992  -1.365   9.437
  258   1HE   LYS  34          2HE       LYS  34   4.007   0.349   8.032
  259   2HE   LYS  34          1HE       LYS  34   2.486   0.249   8.923
  260   1HZ   LYS  34          1HZ       LYS  34   5.131   1.051  10.038
  261   2HZ   LYS  34          2HZ       LYS  34   3.688   0.968  10.934
  262   3HZ   LYS  34          3HZ       LYS  34   3.849   2.082   9.686
  263    H    GLY  35           H        GLY  35  -0.109  -3.192   4.938
  264   1HA   GLY  35          2HA       GLY  35  -2.182  -4.014   4.692
  265   2HA   GLY  35          1HA       GLY  35  -2.331  -4.364   6.379
  266    H    ARG  36           H        ARG  36  -1.278  -1.250   6.319
  267    HA   ARG  36           HA       ARG  36  -3.952  -0.302   6.834
  268   1HB   ARG  36          2HB       ARG  36  -1.375   1.293   6.846
  269   2HB   ARG  36          1HB       ARG  36  -2.901   1.764   7.568
  270   1HG   ARG  36          2HG       ARG  36  -2.659  -0.151   9.158
  271   2HG   ARG  36          1HG       ARG  36  -1.054  -0.434   8.486
  272   1HD   ARG  36          2HD       ARG  36  -0.765   0.872  10.468
  273   2HD   ARG  36          1HD       ARG  36  -0.483   1.946   9.098
  274    HE   ARG  36           HE       ARG  36  -3.186   2.027   9.904
  275   1HH1  ARG  36          1HH1      ARG  36   0.030   3.420  10.798
  276   2HH1  ARG  36          2HH1      ARG  36  -0.681   4.601  11.767
  277   1HH2  ARG  36          1HH2      ARG  36  -4.044   3.758  11.292
  278   2HH2  ARG  36          2HH2      ARG  36  -2.957   4.826  12.034
  279    H    VAL  37           H        VAL  37  -5.151   0.219   5.138
  280    HA   VAL  37           HA       VAL  37  -3.903   1.159   2.724
  281    HB   VAL  37           HB       VAL  37  -6.742   0.336   3.368
  282   1HG1  VAL  37          1HG1      VAL  37  -6.932   2.374   2.000
  283   2HG1  VAL  37          2HG1      VAL  37  -7.326   0.955   1.017
  284   3HG1  VAL  37          3HG1      VAL  37  -5.738   1.726   0.890
  285   1HG2  VAL  37          1HG2      VAL  37  -4.769  -0.433   1.260
  286   2HG2  VAL  37          2HG2      VAL  37  -6.328  -1.211   1.548
  287   3HG2  VAL  37          3HG2      VAL  37  -5.034  -1.327   2.753
  288    H    PHE  38           H        PHE  38  -3.517   3.100   2.294
  289    HA   PHE  38           HA       PHE  38  -4.869   5.243   3.789
  290   1HB   PHE  38          2HB       PHE  38  -2.477   5.408   2.042
  291   2HB   PHE  38          1HB       PHE  38  -2.986   6.589   3.237
  292    HD1  PHE  38           1HD      PHE  38  -2.858   5.815   5.732
  293    HD2  PHE  38           2HD      PHE  38  -0.877   3.838   2.528
  294    HE1  PHE  38           1HE      PHE  38  -1.309   4.773   7.323
  295    HE2  PHE  38           2HE      PHE  38   0.660   2.790   4.116
  296    HZ   PHE  38           HZ       PHE  38   0.452   3.252   6.513
  297    H    ASP  39           H        ASP  39  -5.821   6.893   2.599
  298    HA   ASP  39           HA       ASP  39  -6.347   6.302  -0.199
  299   1HB   ASP  39          2HB       ASP  39  -8.252   7.112   1.127
  300   2HB   ASP  39          1HB       ASP  39  -7.370   8.586   1.511
  301    H    VAL  40           H        VAL  40  -4.808   6.771  -1.531
  302    HA   VAL  40           HA       VAL  40  -3.293   9.243  -1.113
  303    HB   VAL  40           HB       VAL  40  -1.701   8.361  -2.826
  304   1HG1  VAL  40          1HG1      VAL  40  -1.219   8.099  -0.461
  305   2HG1  VAL  40          2HG1      VAL  40  -0.625   6.755  -1.432
  306   3HG1  VAL  40          3HG1      VAL  40  -2.088   6.545  -0.446
  307   1HG2  VAL  40          1HG2      VAL  40  -3.257   5.810  -2.519
  308   2HG2  VAL  40          2HG2      VAL  40  -1.732   6.019  -3.385
  309   3HG2  VAL  40          3HG2      VAL  40  -3.190   6.832  -3.958
  310    H    THR  41           H        THR  41  -6.019   8.762  -2.374
  311    HA   THR  41           HA       THR  41  -5.853   9.357  -5.095
  312    HB   THR  41           HB       THR  41  -8.073  10.136  -3.179
  313    HG1  THR  41           1HG      THR  41  -8.216   8.042  -2.914
  314   1HG2  THR  41          1HG2      THR  41  -8.068   9.448  -6.126
  315   2HG2  THR  41          2HG2      THR  41  -8.250  11.071  -5.464
  316   3HG2  THR  41          3HG2      THR  41  -9.494   9.853  -5.167
  317    H    THR  42           H        THR  42  -5.632  11.322  -2.239
  318    HA   THR  42           HA       THR  42  -5.974  13.847  -3.412
  319    HB   THR  42           HB       THR  42  -6.101  13.595  -0.996
  320    HG1  THR  42           1HG      THR  42  -4.935  15.524  -2.136
  321   1HG2  THR  42          1HG2      THR  42  -4.461  11.803  -0.683
  322   2HG2  THR  42          2HG2      THR  42  -4.115  13.152   0.395
  323   3HG2  THR  42          3HG2      THR  42  -3.153  12.921  -1.067
  324    H    GLY  43           H        GLY  43  -3.334  11.632  -3.400
  325   1HA   GLY  43          2HA       GLY  43  -1.642  13.607  -4.761
  326   2HA   GLY  43          1HA       GLY  43  -1.022  12.279  -3.777
  327    H    LYS  44           H        LYS  44  -3.680  12.294  -6.177
  328    HA   LYS  44           HA       LYS  44  -3.210   9.849  -7.214
  329   1HB   LYS  44          2HB       LYS  44  -5.230  11.143  -7.446
  330   2HB   LYS  44          1HB       LYS  44  -4.386  12.312  -8.450
  331   1HG   LYS  44          2HG       LYS  44  -3.962  10.513 -10.081
  332   2HG   LYS  44          1HG       LYS  44  -4.965   9.446  -9.099
  333   1HD   LYS  44          2HD       LYS  44  -5.850  12.028 -10.386
  334   2HD   LYS  44          1HD       LYS  44  -6.130  10.370 -10.920
  335   1HE   LYS  44          2HE       LYS  44  -7.494   9.902  -8.988
  336   2HE   LYS  44          1HE       LYS  44  -7.105  11.473  -8.285
  337   1HZ   LYS  44          1HZ       LYS  44  -8.247  12.540 -10.094
  338   2HZ   LYS  44          2HZ       LYS  44  -9.309  11.475  -9.333
  339   3HZ   LYS  44          3HZ       LYS  44  -8.638  11.072 -10.815
  340    H    SER  45           H        SER  45  -1.807  12.974  -8.116
  341    HA   SER  45           HA       SER  45  -0.744  12.274 -10.575
  342   1HB   SER  45          2HB       SER  45   0.287  14.263  -8.559
  343   2HB   SER  45          1HB       SER  45   0.648  14.254 -10.291
  344    HG   SER  45           HG       SER  45  -1.045  15.673  -9.911
  345    H    PHE  46           H        PHE  46   0.385  11.532  -7.370
  346    HA   PHE  46           HA       PHE  46   3.058  10.800  -8.215
  347   1HB   PHE  46          2HB       PHE  46   1.601  10.294  -5.614
  348   2HB   PHE  46          1HB       PHE  46   3.291   9.934  -5.907
  349    HD1  PHE  46           1HD      PHE  46   0.811  12.644  -5.554
  350    HD2  PHE  46           2HD      PHE  46   4.934  11.609  -5.664
  351    HE1  PHE  46           1HE      PHE  46   1.387  14.874  -4.703
  352    HE2  PHE  46           2HE      PHE  46   5.521  13.839  -4.817
  353    HZ   PHE  46           HZ       PHE  46   3.748  15.474  -4.333
  354    H    TYR  47           H        TYR  47   0.094   9.168  -7.161
  355    HA   TYR  47           HA       TYR  47   1.345   6.594  -7.652
  356   1HB   TYR  47          2HB       TYR  47  -1.293   7.230  -6.339
  357   2HB   TYR  47          1HB       TYR  47  -0.455   5.675  -6.316
  358    HD1  TYR  47           1HD      TYR  47   1.663   5.437  -5.041
  359    HD2  TYR  47           2HD      TYR  47  -0.621   9.011  -4.925
  360    HE1  TYR  47           1HE      TYR  47   2.940   6.192  -3.089
  361    HE2  TYR  47           2HE      TYR  47   0.636   9.773  -2.975
  362    HH   TYR  47           HH       TYR  47   3.513   8.270  -1.961
  363    H    GLY  48           H        GLY  48  -1.967   7.860  -8.292
  364   1HA   GLY  48          2HA       GLY  48  -2.393   5.766 -10.234
  365   2HA   GLY  48          1HA       GLY  48  -3.550   6.958  -9.696
  366    H    SER  49           H        SER  49  -0.535   8.073 -10.858
  367    HA   SER  49           HA       SER  49  -1.831   8.772 -13.414
  368   1HB   SER  49          2HB       SER  49   0.146  10.427 -11.852
  369   2HB   SER  49          1HB       SER  49  -0.593  10.886 -13.392
  370    HG   SER  49           HG       SER  49  -1.855  10.402 -10.924
  371    H    GLY  50           H        GLY  50   0.144   6.624 -12.406
  372   1HA   GLY  50          2HA       GLY  50   1.696   5.353 -13.578
  373   2HA   GLY  50          1HA       GLY  50   1.737   6.605 -14.814
  374    H    GLY  51           H        GLY  51   2.181   7.417 -11.507
  375   1HA   GLY  51          2HA       GLY  51   4.857   8.523 -11.957
  376   2HA   GLY  51          1HA       GLY  51   3.910   8.511 -10.468
  377    H    ASP  52           H        ASP  52   6.199   8.245  -9.969
  378    HA   ASP  52           HA       ASP  52   7.673   5.933 -10.409
  379   1HB   ASP  52          2HB       ASP  52   7.635   7.662  -7.926
  380   2HB   ASP  52          1HB       ASP  52   8.828   6.467  -8.424
  381    H    TYR  53           H        TYR  53   5.136   6.650  -8.167
  382    HA   TYR  53           HA       TYR  53   5.576   4.134  -6.767
  383   1HB   TYR  53          2HB       TYR  53   3.869   6.500  -5.991
  384   2HB   TYR  53          1HB       TYR  53   4.188   5.080  -5.002
  385    HD1  TYR  53           1HD      TYR  53   6.477   4.683  -4.105
  386    HD2  TYR  53           2HD      TYR  53   5.467   8.263  -6.169
  387    HE1  TYR  53           1HE      TYR  53   8.507   5.764  -3.221
  388    HE2  TYR  53           2HE      TYR  53   7.479   9.349  -5.297
  389    HH   TYR  53           HH       TYR  53   8.981   9.109  -3.421
  390    H    SER  54           H        SER  54   4.184   4.570  -9.450
  391    HA   SER  54           HA       SER  54   1.413   4.122  -9.089
  392   1HB   SER  54          2HB       SER  54   2.394   5.008 -11.183
  393   2HB   SER  54          1HB       SER  54   3.169   3.454 -11.466
  394    HG   SER  54           HG       SER  54   0.349   3.876 -11.301
  395    H    MET  55           H        MET  55   4.099   2.012  -8.778
  396    HA   MET  55           HA       MET  55   2.677  -0.470  -9.329
  397   1HB   MET  55          2HB       MET  55   5.203  -0.244  -7.692
  398   2HB   MET  55          1HB       MET  55   4.652  -1.602  -8.659
  399   1HG   MET  55          2HG       MET  55   5.731   1.004  -9.571
  400   2HG   MET  55          1HG       MET  55   6.510  -0.555  -9.710
  401   1HE   MET  55          1HE       MET  55   5.732   0.344 -13.475
  402   2HE   MET  55          2HE       MET  55   6.986  -0.076 -12.305
  403   3HE   MET  55          3HE       MET  55   6.151   1.476 -12.190
  404    H    PHE  56           H        PHE  56   3.180   1.687  -6.783
  405    HA   PHE  56           HA       PHE  56   2.620  -0.140  -4.597
  406   1HB   PHE  56          2HB       PHE  56   3.178   2.845  -4.650
  407   2HB   PHE  56          1HB       PHE  56   3.115   1.837  -3.215
  408    HD1  PHE  56           1HD      PHE  56   4.997   2.202  -6.433
  409    HD2  PHE  56           2HD      PHE  56   5.103   0.985  -2.368
  410    HE1  PHE  56           1HE      PHE  56   7.423   1.843  -6.613
  411    HE2  PHE  56           2HE      PHE  56   7.506   0.613  -2.532
  412    HZ   PHE  56           HZ       PHE  56   8.688   1.042  -4.663
  413    H    ALA  57           H        ALA  57   0.973   1.641  -6.835
  414    HA   ALA  57           HA       ALA  57  -0.903   3.061  -5.213
  415   1HB   ALA  57          1HB       ALA  57  -0.919   2.590  -8.173
  416   2HB   ALA  57          2HB       ALA  57  -0.069   3.892  -7.351
  417   3HB   ALA  57          3HB       ALA  57  -1.829   3.818  -7.294
  418    H    GLY  58           H        GLY  58  -0.815  -0.149  -5.939
  419   1HA   GLY  58          2HA       GLY  58  -3.611  -0.359  -5.256
  420   2HA   GLY  58          1HA       GLY  58  -3.253  -1.039  -6.816
  421    H    LYS  59           H        LYS  59  -1.040  -1.103  -4.149
  422    HA   LYS  59           HA       LYS  59  -1.729  -3.832  -3.533
  423   1HB   LYS  59          2HB       LYS  59   0.862  -3.018  -4.725
  424   2HB   LYS  59          1HB       LYS  59   0.758  -4.383  -3.618
  425   1HG   LYS  59          2HG       LYS  59  -0.789  -5.432  -4.965
  426   2HG   LYS  59          1HG       LYS  59  -0.877  -4.058  -6.082
  427   1HD   LYS  59          2HD       LYS  59   1.460  -4.443  -6.629
  428   2HD   LYS  59          1HD       LYS  59   1.480  -5.817  -5.505
  429   1HE   LYS  59          2HE       LYS  59  -0.169  -6.923  -6.666
  430   2HE   LYS  59          1HE       LYS  59  -0.476  -5.446  -7.606
  431   1HZ   LYS  59          1HZ       LYS  59   0.766  -7.190  -8.867
  432   2HZ   LYS  59          2HZ       LYS  59   1.996  -7.142  -7.708
  433   3HZ   LYS  59          3HZ       LYS  59   1.677  -5.779  -8.677
  434    H    ASP  60           H        ASP  60  -0.475  -4.672  -1.926
  435    HA   ASP  60           HA       ASP  60   0.211  -2.679   0.133
  436   1HB   ASP  60          2HB       ASP  60  -0.940  -4.889   0.824
  437   2HB   ASP  60          1HB       ASP  60   0.544  -5.691   0.337
  438    H    ALA  61           H        ALA  61   2.001  -1.802  -0.269
  439    HA   ALA  61           HA       ALA  61   3.935  -3.292  -1.876
  440   1HB   ALA  61          1HB       ALA  61   4.727  -1.127  -2.565
  441   2HB   ALA  61          2HB       ALA  61   3.567  -0.356  -1.466
  442   3HB   ALA  61          3HB       ALA  61   2.996  -1.330  -2.825
  443    H    SER  62           H        SER  62   3.653  -3.397   1.085
  444    HA   SER  62           HA       SER  62   5.585  -1.840   2.294
  445   1HB   SER  62          2HB       SER  62   4.688  -4.575   3.212
  446   2HB   SER  62          1HB       SER  62   5.414  -3.248   4.143
  447    HG   SER  62           HG       SER  62   2.876  -3.438   3.008
  448    H    ARG  63           H        ARG  63   5.965  -5.114   0.813
  449    HA   ARG  63           HA       ARG  63   8.673  -5.259   1.719
  450   1HB   ARG  63          2HB       ARG  63   7.281  -7.287   1.052
  451   2HB   ARG  63          1HB       ARG  63   7.573  -6.825  -0.624
  452   1HG   ARG  63          2HG       ARG  63  10.004  -6.936  -0.213
  453   2HG   ARG  63          1HG       ARG  63   9.655  -7.460   1.430
  454   1HD   ARG  63          2HD       ARG  63   8.460  -9.424   0.449
  455   2HD   ARG  63          1HD       ARG  63   9.080  -8.926  -1.130
  456    HE   ARG  63           HE       ARG  63  11.001  -9.289   1.029
  457   1HH1  ARG  63          1HH1      ARG  63   9.724 -10.469  -2.038
  458   2HH1  ARG  63          2HH1      ARG  63  10.889 -11.701  -2.211
  459   1HH2  ARG  63          1HH2      ARG  63  12.613 -10.947   0.785
  460   2HH2  ARG  63          2HH2      ARG  63  12.579 -11.958  -0.587
  461    H    ALA  64           H        ALA  64   7.104  -3.871  -0.991
  462    HA   ALA  64           HA       ALA  64   9.360  -3.843  -2.731
  463   1HB   ALA  64          1HB       ALA  64   6.782  -2.257  -2.809
  464   2HB   ALA  64          2HB       ALA  64   7.184  -3.714  -3.751
  465   3HB   ALA  64          3HB       ALA  64   8.021  -2.209  -4.058
  466    H    LEU  65           H        LEU  65   7.884  -1.815  -0.391
  467    HA   LEU  65           HA       LEU  65   9.417   0.509  -0.665
  468   1HB   LEU  65          2HB       LEU  65   7.963  -0.782   1.575
  469   2HB   LEU  65          1HB       LEU  65   8.796   0.731   1.802
  470    HG   LEU  65           HG       LEU  65   6.474   0.248  -0.104
  471   1HD1  LEU  65          1HD1      LEU  65   5.247   1.682   1.389
  472   2HD1  LEU  65          2HD1      LEU  65   6.619   1.789   2.487
  473   3HD1  LEU  65          3HD1      LEU  65   5.798   0.250   2.242
  474   1HD2  LEU  65          1HD2      LEU  65   8.007   1.919  -0.958
  475   2HD2  LEU  65          2HD2      LEU  65   8.043   2.635   0.644
  476   3HD2  LEU  65          3HD2      LEU  65   6.546   2.715  -0.306
  477    H    GLY  66           H        GLY  66  10.121  -2.523   0.935
  478   1HA   GLY  66          2HA       GLY  66  12.449  -1.328   2.161
  479   2HA   GLY  66          1HA       GLY  66  11.963  -2.999   2.358
  480    H    LYS  67           H        LYS  67  11.694  -3.344  -0.527
  481    HA   LYS  67           HA       LYS  67  14.464  -4.007  -1.063
  482   1HB   LYS  67          2HB       LYS  67  11.927  -4.558  -2.599
  483   2HB   LYS  67          1HB       LYS  67  13.511  -5.208  -2.978
  484   1HG   LYS  67          2HG       LYS  67  12.355  -5.710  -0.268
  485   2HG   LYS  67          1HG       LYS  67  11.740  -6.619  -1.637
  486   1HD   LYS  67          2HD       LYS  67  13.515  -7.807  -0.378
  487   2HD   LYS  67          1HD       LYS  67  13.926  -7.549  -2.064
  488   1HE   LYS  67          2HE       LYS  67  15.390  -5.714  -1.433
  489   2HE   LYS  67          1HE       LYS  67  14.922  -5.894   0.263
  490   1HZ   LYS  67          1HZ       LYS  67  15.868  -8.027   0.305
  491   2HZ   LYS  67          2HZ       LYS  67  17.039  -6.958  -0.272
  492   3HZ   LYS  67          3HZ       LYS  67  16.256  -8.015  -1.343
  493    H    MET  68           H        MET  68  12.130  -1.625  -1.998
  494    HA   MET  68           HA       MET  68  12.039   0.067  -3.398
  495   1HB   MET  68          2HB       MET  68  15.044  -0.289  -3.468
  496   2HB   MET  68          1HB       MET  68  14.240   1.053  -4.296
  497   1HG   MET  68          2HG       MET  68  14.328   0.421  -1.360
  498   2HG   MET  68          1HG       MET  68  15.189   1.708  -2.198
  499   1HE   MET  68          1HE       MET  68  13.948   3.816  -3.322
  500   2HE   MET  68          2HE       MET  68  12.202   4.047  -3.272
  501   3HE   MET  68          3HE       MET  68  12.887   2.736  -4.228
  502    H    SER  69           H        SER  69  11.305  -2.283  -4.311
  503    HA   SER  69           HA       SER  69  12.370  -2.653  -6.999
  504   1HB   SER  69          2HB       SER  69  12.042  -4.640  -5.664
  505   2HB   SER  69          1HB       SER  69  10.333  -4.262  -5.436
  506    HG   SER  69           HG       SER  69  11.612  -5.497  -7.455
  507    H    LYS  70           H        LYS  70  10.809  -2.920  -8.746
  508    HA   LYS  70           HA       LYS  70   8.422  -1.261  -8.381
  509   1HB   LYS  70          2HB       LYS  70  10.306  -1.155 -10.715
  510   2HB   LYS  70          1HB       LYS  70   8.787  -0.283 -10.573
  511   1HG   LYS  70          2HG       LYS  70   9.602   0.964  -8.706
  512   2HG   LYS  70          1HG       LYS  70  11.086  -0.002  -8.686
  513   1HD   LYS  70          2HD       LYS  70  11.487   2.177  -9.777
  514   2HD   LYS  70          1HD       LYS  70  11.617   0.823 -10.914
  515   1HE   LYS  70          2HE       LYS  70   9.371   1.280 -11.744
  516   2HE   LYS  70          1HE       LYS  70   9.198   2.595 -10.580
  517   1HZ   LYS  70          1HZ       LYS  70  11.170   2.484 -12.795
  518   2HZ   LYS  70          2HZ       LYS  70  10.995   3.746 -11.695
  519   3HZ   LYS  70          3HZ       LYS  70   9.747   3.393 -12.767
  520    H    ASN  71           H        ASN  71   9.717  -4.177  -9.441
  521    HA   ASN  71           HA       ASN  71   7.629  -4.589 -11.354
  522   1HB   ASN  71          2HB       ASN  71   8.184  -6.977 -11.325
  523   2HB   ASN  71          1HB       ASN  71   9.510  -5.963 -11.903
  524   1HD2  ASN  71          1HD2      ASN  71   8.639  -6.577  -8.506
  525   2HD2  ASN  71          2HD2      ASN  71  10.072  -7.491  -8.148
  526    H    GLU  72           H        GLU  72   5.885  -5.789 -11.263
  527    HA   GLU  72           HA       GLU  72   4.314  -5.313  -9.042
  528   1HB   GLU  72          2HB       GLU  72   2.700  -6.691 -10.134
  529   2HB   GLU  72          1HB       GLU  72   3.425  -5.542 -11.266
  530   1HG   GLU  72          2HG       GLU  72   4.889  -7.438 -12.013
  531   2HG   GLU  72          1HG       GLU  72   3.922  -8.493 -10.994
  532    H    GLU  73           H        GLU  73   6.291  -8.045  -9.769
  533    HA   GLU  73           HA       GLU  73   5.088 -10.032  -8.223
  534   1HB   GLU  73          2HB       GLU  73   6.787 -10.384  -9.975
  535   2HB   GLU  73          1HB       GLU  73   7.993  -9.616  -8.968
  536   1HG   GLU  73          2HG       GLU  73   6.596 -12.230  -8.335
  537   2HG   GLU  73          1HG       GLU  73   8.163 -12.046  -9.120
  538    H    ASP  74           H        ASP  74   7.780  -7.778  -7.385
  539    HA   ASP  74           HA       ASP  74   7.882  -8.926  -4.774
  540   1HB   ASP  74          2HB       ASP  74   9.915  -8.237  -6.026
  541   2HB   ASP  74          1HB       ASP  74   9.421  -6.564  -5.812
  542    H    VAL  75           H        VAL  75   6.016  -6.555  -6.103
  543    HA   VAL  75           HA       VAL  75   5.760  -4.932  -3.720
  544    HB   VAL  75           HB       VAL  75   3.671  -5.258  -5.912
  545   1HG1  VAL  75          1HG1      VAL  75   3.139  -2.935  -5.429
  546   2HG1  VAL  75          2HG1      VAL  75   4.377  -2.907  -4.194
  547   3HG1  VAL  75          3HG1      VAL  75   2.956  -3.953  -3.991
  548   1HG2  VAL  75          1HG2      VAL  75   6.043  -3.411  -6.015
  549   2HG2  VAL  75          2HG2      VAL  75   4.672  -3.417  -7.132
  550   3HG2  VAL  75          3HG2      VAL  75   5.749  -4.811  -7.055
  551    H    SER  76           H        SER  76   5.220  -6.042  -1.931
  552    HA   SER  76           HA       SER  76   2.960  -7.857  -1.942
  553   1HB   SER  76          2HB       SER  76   4.911  -9.165  -2.773
  554   2HB   SER  76          1HB       SER  76   5.796  -8.717  -1.324
  555    HG   SER  76           HG       SER  76   3.996 -10.661  -1.753
  556    HA   PRO  77           HA       PRO  77   2.717  -6.263   2.253
  557   1HB   PRO  77          2HB       PRO  77   1.300  -8.225   3.459
  558   2HB   PRO  77          1HB       PRO  77   0.587  -7.101   2.298
  559   1HG   PRO  77          2HG       PRO  77   1.563  -9.893   1.875
  560   2HG   PRO  77          1HG       PRO  77   0.067  -9.137   1.299
  561   1HD   PRO  77          2HD       PRO  77   2.225  -9.442  -0.290
  562   2HD   PRO  77          1HD       PRO  77   1.138  -8.047  -0.431
  563    H    SER  78           H        SER  78   4.584  -8.916   1.554
  564    HA   SER  78           HA       SER  78   5.197  -9.974   4.176
  565   1HB   SER  78          2HB       SER  78   5.660 -11.328   2.214
  566   2HB   SER  78          1HB       SER  78   6.739 -10.052   1.620
  567    HG   SER  78           HG       SER  78   7.436 -12.061   3.197
  568    H    LEU  79           H        LEU  79   5.982  -9.208   5.730
  569    HA   LEU  79           HA       LEU  79   8.304  -7.550   5.277
  570   1HB   LEU  79          2HB       LEU  79   6.742  -7.752   7.857
  571   2HB   LEU  79          1HB       LEU  79   8.128  -6.757   7.484
  572    HG   LEU  79           HG       LEU  79   5.288  -6.407   6.620
  573   1HD1  LEU  79          1HD1      LEU  79   7.262  -4.511   7.864
  574   2HD1  LEU  79          2HD1      LEU  79   5.963  -5.346   8.715
  575   3HD1  LEU  79          3HD1      LEU  79   5.589  -4.148   7.472
  576   1HD2  LEU  79          1HD2      LEU  79   6.573  -6.164   4.587
  577   2HD2  LEU  79          2HD2      LEU  79   7.687  -5.067   5.425
  578   3HD2  LEU  79          3HD2      LEU  79   5.996  -4.606   5.195
  579    H    GLU  80           H        GLU  80   7.544 -10.511   5.554
  580    HA   GLU  80           HA       GLU  80   9.291 -11.322   7.725
  581   1HB   GLU  80          2HB       GLU  80   8.311 -13.594   7.305
  582   2HB   GLU  80          1HB       GLU  80   7.160 -12.367   7.795
  583   1HG   GLU  80          2HG       GLU  80   5.992 -13.427   6.092
  584   2HG   GLU  80          1HG       GLU  80   6.803 -12.073   5.284
  585    H    GLY  81           H        GLY  81   9.356 -10.885   4.429
  586   1HA   GLY  81          2HA       GLY  81  11.730 -12.589   4.151
  587   2HA   GLY  81          1HA       GLY  81  10.783 -11.934   2.811
  588    H    LEU  82           H        LEU  82  11.933 -10.340   5.724
  589    HA   LEU  82           HA       LEU  82  13.730  -8.618   4.201
  590   1HB   LEU  82          2HB       LEU  82  11.501  -7.681   5.992
  591   2HB   LEU  82          1HB       LEU  82  12.735  -6.663   5.293
  592    HG   LEU  82           HG       LEU  82  10.680  -8.164   3.656
  593   1HD1  LEU  82          1HD1      LEU  82  10.771  -5.273   4.478
  594   2HD1  LEU  82          2HD1      LEU  82   9.796  -6.506   5.254
  595   3HD1  LEU  82          3HD1      LEU  82   9.475  -6.090   3.564
  596   1HD2  LEU  82          1HD2      LEU  82  12.805  -7.494   2.528
  597   2HD2  LEU  82          2HD2      LEU  82  12.426  -5.817   2.999
  598   3HD2  LEU  82          3HD2      LEU  82  11.377  -6.672   1.894
  599    H    THR  83           H        THR  83  15.544  -8.489   5.389
  600    HA   THR  83           HA       THR  83  15.417  -8.972   8.255
  601    HB   THR  83           HB       THR  83  17.254 -10.063   6.895
  602    HG1  THR  83           1HG      THR  83  17.885  -9.934   8.885
  603   1HG2  THR  83          1HG2      THR  83  17.643  -8.232   5.294
  604   2HG2  THR  83          2HG2      THR  83  19.136  -8.695   6.116
  605   3HG2  THR  83          3HG2      THR  83  18.267  -7.243   6.612
  606    H    GLU  84           H        GLU  84  17.398  -7.227   9.184
  607    HA   GLU  84           HA       GLU  84  15.792  -4.991   9.663
  608   1HB   GLU  84          2HB       GLU  84  18.731  -5.302  10.153
  609   2HB   GLU  84          1HB       GLU  84  17.761  -3.961  10.744
  610   1HG   GLU  84          2HG       GLU  84  16.369  -5.487  11.958
  611   2HG   GLU  84          1HG       GLU  84  17.333  -6.856  11.396
  612    H    LYS  85           H        LYS  85  18.597  -5.151   7.501
  613    HA   LYS  85           HA       LYS  85  18.711  -2.420   6.786
  614   1HB   LYS  85          2HB       LYS  85  19.958  -3.147   4.830
  615   2HB   LYS  85          1HB       LYS  85  20.404  -4.197   6.176
  616   1HG   LYS  85          2HG       LYS  85  18.683  -5.789   5.365
  617   2HG   LYS  85          1HG       LYS  85  18.470  -4.767   3.985
  618   1HD   LYS  85          2HD       LYS  85  19.803  -6.562   3.397
  619   2HD   LYS  85          1HD       LYS  85  20.797  -5.099   3.297
  620   1HE   LYS  85          2HE       LYS  85  21.761  -5.632   5.523
  621   2HE   LYS  85          1HE       LYS  85  20.809  -7.112   5.574
  622   1HZ   LYS  85          1HZ       LYS  85  23.036  -7.580   4.935
  623   2HZ   LYS  85          2HZ       LYS  85  23.011  -6.449   3.710
  624   3HZ   LYS  85          3HZ       LYS  85  22.067  -7.860   3.579
  625    H    GLU  86           H        GLU  86  16.703  -5.038   5.683
  626    HA   GLU  86           HA       GLU  86  15.669  -3.805   3.358
  627   1HB   GLU  86          2HB       GLU  86  15.011  -6.235   4.959
  628   2HB   GLU  86          1HB       GLU  86  14.206  -5.845   3.469
  629   1HG   GLU  86          2HG       GLU  86  16.419  -5.987   2.318
  630   2HG   GLU  86          1HG       GLU  86  17.136  -6.447   3.859
  631    H    ILE  87           H        ILE  87  14.475  -4.777   6.507
  632    HA   ILE  87           HA       ILE  87  11.955  -3.660   6.276
  633    HB   ILE  87           HB       ILE  87  13.624  -4.194   8.711
  634   1HG1  ILE  87          2HG1      ILE  87  11.298  -5.676   7.496
  635   2HG1  ILE  87          1HG1      ILE  87  12.971  -6.206   7.524
  636   1HG2  ILE  87          1HG2      ILE  87  12.016  -2.459   9.185
  637   2HG2  ILE  87          2HG2      ILE  87  11.499  -3.992   9.955
  638   3HG2  ILE  87          3HG2      ILE  87  10.779  -3.455   8.414
  639   1HD1  ILE  87          1HD1      ILE  87  11.242  -5.747   9.936
  640   2HD1  ILE  87          2HD1      ILE  87  12.894  -6.349   9.965
  641   3HD1  ILE  87          3HD1      ILE  87  11.603  -7.338   9.252
  642    H    ASN  88           H        ASN  88  14.956  -2.274   7.659
  643    HA   ASN  88           HA       ASN  88  13.799   0.104   8.571
  644   1HB   ASN  88          2HB       ASN  88  16.588  -0.523   7.781
  645   2HB   ASN  88          1HB       ASN  88  16.136   1.150   8.086
  646   1HD2  ASN  88          1HD2      ASN  88  16.716  -1.968   9.453
  647   2HD2  ASN  88          2HD2      ASN  88  16.637  -1.522  11.116
  648    H    THR  89           H        THR  89  14.822  -0.670   5.376
  649    HA   THR  89           HA       THR  89  14.808   1.923   4.320
  650    HB   THR  89           HB       THR  89  14.130  -0.711   2.988
  651    HG1  THR  89           1HG      THR  89  16.215  -0.824   3.852
  652   1HG2  THR  89          1HG2      THR  89  15.070   1.903   1.886
  653   2HG2  THR  89          2HG2      THR  89  13.439   1.202   1.727
  654   3HG2  THR  89          3HG2      THR  89  14.819   0.417   0.936
  655    H    LEU  90           H        LEU  90  12.296  -0.552   4.491
  656    HA   LEU  90           HA       LEU  90  10.170   1.002   3.421
  657   1HB   LEU  90          2HB       LEU  90   9.562  -1.029   3.131
  658   2HB   LEU  90          1HB       LEU  90  10.636  -1.695   4.305
  659    HG   LEU  90           HG       LEU  90   8.755  -0.718   5.928
  660   1HD1  LEU  90          1HD1      LEU  90   7.408   0.304   4.301
  661   2HD1  LEU  90          2HD1      LEU  90   6.539  -1.016   5.080
  662   3HD1  LEU  90          3HD1      LEU  90   7.197  -1.232   3.458
  663   1HD2  LEU  90          1HD2      LEU  90   8.566  -3.292   4.437
  664   2HD2  LEU  90          2HD2      LEU  90   7.741  -2.925   5.964
  665   3HD2  LEU  90          3HD2      LEU  90   9.509  -2.996   5.897
  666    H    ASN  91           H        ASN  91  11.175   0.085   6.664
  667    HA   ASN  91           HA       ASN  91   9.141   0.992   8.266
  668   1HB   ASN  91          2HB       ASN  91  11.369  -0.168   8.841
  669   2HB   ASN  91          1HB       ASN  91  12.057   1.444   8.887
  670   1HD2  ASN  91          1HD2      ASN  91  10.008  -0.816  10.357
  671   2HD2  ASN  91          2HD2      ASN  91   9.821  -0.129  11.904
  672    H    ASP  92           H        ASP  92  11.779   2.809   6.815
  673    HA   ASP  92           HA       ASP  92  11.153   5.383   7.800
  674   1HB   ASP  92          2HB       ASP  92  13.325   4.840   6.805
  675   2HB   ASP  92          1HB       ASP  92  12.554   4.481   5.273
  676    H    TRP  93           H        TRP  93  10.367   3.724   4.762
  677    HA   TRP  93           HA       TRP  93   8.772   5.649   3.498
  678   1HB   TRP  93          2HB       TRP  93   8.993   2.724   3.316
  679   2HB   TRP  93          1HB       TRP  93   7.745   3.523   2.404
  680    HD1  TRP  93           HD       TRP  93  10.978   2.145   1.859
  681    HE1  TRP  93           1HE      TRP  93  12.248   3.238  -0.071
  682    HE3  TRP  93           3HE      TRP  93   8.229   6.440   1.460
  683    HZ2  TRP  93           2HZ      TRP  93  12.125   5.662  -1.552
  684    HZ3  TRP  93           3HZ      TRP  93   8.874   8.092  -0.229
  685    HH2  TRP  93           HH       TRP  93  10.782   7.711  -1.706
  686    H    GLU  94           H        GLU  94   7.787   3.186   5.737
  687    HA   GLU  94           HA       GLU  94   5.027   3.228   5.557
  688   1HB   GLU  94          2HB       GLU  94   6.606   3.302   8.126
  689   2HB   GLU  94          1HB       GLU  94   4.992   2.654   7.911
  690   1HG   GLU  94          2HG       GLU  94   5.833   0.874   6.560
  691   2HG   GLU  94          1HG       GLU  94   7.467   1.526   6.602
  692    H    THR  95           H        THR  95   6.966   5.140   7.604
  693    HA   THR  95           HA       THR  95   5.216   6.900   8.802
  694    HB   THR  95           HB       THR  95   8.050   7.402   7.980
  695    HG1  THR  95           1HG      THR  95   8.437   5.732   9.319
  696   1HG2  THR  95          1HG2      THR  95   8.118   8.738  10.075
  697   2HG2  THR  95          2HG2      THR  95   6.404   8.406  10.327
  698   3HG2  THR  95          3HG2      THR  95   6.925   9.361   8.936
  699    H    LYS  96           H        LYS  96   6.564   7.021   5.563
  700    HA   LYS  96           HA       LYS  96   6.371   9.874   5.281
  701   1HB   LYS  96          2HB       LYS  96   6.823   7.715   3.213
  702   2HB   LYS  96          1HB       LYS  96   7.138   9.437   3.008
  703   1HG   LYS  96          2HG       LYS  96   8.476   7.700   5.044
  704   2HG   LYS  96          1HG       LYS  96   9.229   8.047   3.520
  705   1HD   LYS  96          2HD       LYS  96   9.085  10.476   4.129
  706   2HD   LYS  96          1HD       LYS  96   8.473   9.976   5.708
  707   1HE   LYS  96          2HE       LYS  96  10.529   8.692   6.087
  708   2HE   LYS  96          1HE       LYS  96  11.134   9.204   4.517
  709   1HZ   LYS  96          1HZ       LYS  96  12.065  10.551   6.255
  710   2HZ   LYS  96          2HZ       LYS  96  10.533  10.956   6.825
  711   3HZ   LYS  96          3HZ       LYS  96  11.042  11.513   5.313
  712    H    PHE  97           H        PHE  97   4.645   7.048   4.437
  713    HA   PHE  97           HA       PHE  97   2.573   8.424   3.029
  714   1HB   PHE  97          2HB       PHE  97   3.006   5.633   3.974
  715   2HB   PHE  97          1HB       PHE  97   1.519   6.105   3.194
  716    HD1  PHE  97           1HD      PHE  97   5.220   6.101   2.665
  717    HD2  PHE  97           2HD      PHE  97   1.371   5.921   0.879
  718    HE1  PHE  97           1HE      PHE  97   6.262   5.617   0.487
  719    HE2  PHE  97           2HE      PHE  97   2.398   5.444  -1.293
  720    HZ   PHE  97           HZ       PHE  97   4.848   5.290  -1.499
  721    H    GLU  98           H        GLU  98   2.984   6.707   6.087
  722    HA   GLU  98           HA       GLU  98   0.452   6.938   7.142
  723   1HB   GLU  98          2HB       GLU  98   3.138   6.556   8.298
  724   2HB   GLU  98          1HB       GLU  98   1.846   6.686   9.436
  725   1HG   GLU  98          2HG       GLU  98   0.747   4.774   8.178
  726   2HG   GLU  98          1HG       GLU  98   2.246   4.640   7.261
  727    H    ALA  99           H        ALA  99   2.726   9.496   6.839
  728    HA   ALA  99           HA       ALA  99   1.390  10.996   8.965
  729   1HB   ALA  99          1HB       ALA  99   3.208  12.586   8.780
  730   2HB   ALA  99          2HB       ALA  99   3.855  11.709   7.393
  731   3HB   ALA  99          3HB       ALA  99   3.836  10.949   8.983
  732    H    LYS 100           H        LYS 100   1.234  10.596   5.600
  733    HA   LYS 100           HA       LYS 100   0.228  13.327   5.285
  734   1HB   LYS 100          2HB       LYS 100   1.762  11.562   3.468
  735   2HB   LYS 100          1HB       LYS 100   0.638  12.685   2.755
  736   1HG   LYS 100          2HG       LYS 100   2.862  13.606   2.748
  737   2HG   LYS 100          1HG       LYS 100   1.842  14.534   3.832
  738   1HD   LYS 100          2HD       LYS 100   2.839  13.411   5.747
  739   2HD   LYS 100          1HD       LYS 100   3.825  12.415   4.668
  740   1HE   LYS 100          2HE       LYS 100   4.824  14.398   3.750
  741   2HE   LYS 100          1HE       LYS 100   3.894  15.422   4.837
  742   1HZ   LYS 100          1HZ       LYS 100   5.922  13.407   5.668
  743   2HZ   LYS 100          2HZ       LYS 100   5.073  14.435   6.726
  744   3HZ   LYS 100          3HZ       LYS 100   6.148  15.061   5.602
  745    H    TYR 101           H        TYR 101  -0.447   9.949   4.741
  746    HA   TYR 101           HA       TYR 101  -2.924  10.735   3.418
  747   1HB   TYR 101          2HB       TYR 101  -1.452   8.113   3.285
  748   2HB   TYR 101          1HB       TYR 101  -2.862   8.595   2.348
  749    HD1  TYR 101           1HD      TYR 101  -2.574  10.645   0.770
  750    HD2  TYR 101           2HD      TYR 101   0.657   8.493   2.481
  751    HE1  TYR 101           1HE      TYR 101  -1.063  11.544  -0.961
  752    HE2  TYR 101           2HE      TYR 101   2.173   9.379   0.773
  753    HH   TYR 101           HH       TYR 101   1.983  10.205  -1.455
  754    HA   PRO 102           HA       PRO 102  -5.008   9.040   6.938
  755   1HB   PRO 102          2HB       PRO 102  -7.496   9.095   6.016
  756   2HB   PRO 102          1HB       PRO 102  -6.599  10.602   6.291
  757   1HG   PRO 102          2HG       PRO 102  -7.049   9.099   3.739
  758   2HG   PRO 102          1HG       PRO 102  -7.238  10.833   4.045
  759   1HD   PRO 102          2HD       PRO 102  -4.997   9.786   2.904
  760   2HD   PRO 102          1HD       PRO 102  -4.987  11.225   3.951
  761    H    VAL 103           H        VAL 103  -5.614   7.113   7.652
  762    HA   VAL 103           HA       VAL 103  -5.553   4.846   5.852
  763    HB   VAL 103           HB       VAL 103  -6.123   4.853   8.829
  764   1HG1  VAL 103          1HG1      VAL 103  -5.320   2.631   6.962
  765   2HG1  VAL 103          2HG1      VAL 103  -6.887   2.823   7.753
  766   3HG1  VAL 103          3HG1      VAL 103  -5.443   2.490   8.712
  767   1HG2  VAL 103          1HG2      VAL 103  -3.521   4.380   7.392
  768   2HG2  VAL 103          2HG2      VAL 103  -3.779   4.204   9.122
  769   3HG2  VAL 103          3HG2      VAL 103  -3.914   5.798   8.364
  770    H    VAL 104           H        VAL 104  -7.252   4.304   4.788
  771    HA   VAL 104           HA       VAL 104  -9.899   4.898   5.951
  772    HB   VAL 104           HB       VAL 104 -10.795   4.876   3.628
  773   1HG1  VAL 104          1HG1      VAL 104 -10.205   6.986   4.722
  774   2HG1  VAL 104          2HG1      VAL 104  -9.854   7.064   2.996
  775   3HG1  VAL 104          3HG1      VAL 104  -8.544   6.825   4.152
  776   1HG2  VAL 104          1HG2      VAL 104  -9.231   5.044   1.775
  777   2HG2  VAL 104          2HG2      VAL 104  -9.066   3.485   2.593
  778   3HG2  VAL 104          3HG2      VAL 104  -7.881   4.767   2.870
  779    H    GLY 105           H        GLY 105  -8.030   2.317   5.788
  780   1HA   GLY 105          2HA       GLY 105  -9.884   0.493   6.495
  781   2HA   GLY 105          1HA       GLY 105  -9.900   0.374   4.745
  782    H    ARG 106           H        ARG 106  -9.089  -1.746   4.852
  783    HA   ARG 106           HA       ARG 106  -6.207  -1.840   5.444
  784   1HB   ARG 106          2HB       ARG 106  -6.374  -4.083   6.314
  785   2HB   ARG 106          1HB       ARG 106  -7.308  -3.041   7.326
  786   1HG   ARG 106          2HG       ARG 106  -9.333  -3.842   6.485
  787   2HG   ARG 106          1HG       ARG 106  -8.503  -4.721   5.190
  788   1HD   ARG 106          2HD       ARG 106  -9.102  -6.189   7.043
  789   2HD   ARG 106          1HD       ARG 106  -7.354  -6.043   6.744
  790    HE   ARG 106           HE       ARG 106  -8.563  -4.348   8.788
  791   1HH1  ARG 106          1HH1      ARG 106  -6.473  -7.147   8.114
  792   2HH1  ARG 106          2HH1      ARG 106  -5.912  -7.263   9.704
  793   1HH2  ARG 106          1HH2      ARG 106  -7.742  -4.510  10.944
  794   2HH2  ARG 106          2HH2      ARG 106  -6.618  -5.729  11.347
  795    H    VAL 107           H        VAL 107  -5.143  -3.549   4.410
  796    HA   VAL 107           HA       VAL 107  -6.719  -4.708   2.285
  797    HB   VAL 107           HB       VAL 107  -4.764  -3.334   1.466
  798   1HG1  VAL 107          1HG1      VAL 107  -2.567  -4.248   1.653
  799   2HG1  VAL 107          2HG1      VAL 107  -3.183  -5.488   2.767
  800   3HG1  VAL 107          3HG1      VAL 107  -3.251  -3.757   3.208
  801   1HG2  VAL 107          1HG2      VAL 107  -4.716  -6.253   0.975
  802   2HG2  VAL 107          2HG2      VAL 107  -3.988  -5.042  -0.110
  803   3HG2  VAL 107          3HG2      VAL 107  -5.751  -5.095   0.154
  804    H    VAL 108           H        VAL 108  -6.829  -6.759   2.200
  805    HA   VAL 108           HA       VAL 108  -5.440  -8.354   4.199
  806    HB   VAL 108           HB       VAL 108  -7.526  -9.862   4.076
  807   1HG1  VAL 108          1HG1      VAL 108  -7.935  -7.004   4.596
  808   2HG1  VAL 108          2HG1      VAL 108  -7.119  -8.078   5.771
  809   3HG1  VAL 108          3HG1      VAL 108  -8.876  -8.269   5.364
  810   1HG2  VAL 108          1HG2      VAL 108  -8.546  -7.427   2.812
  811   2HG2  VAL 108          2HG2      VAL 108  -9.524  -8.814   3.258
  812   3HG2  VAL 108          3HG2      VAL 108  -8.355  -8.935   1.890
  813    H    SER 109           H        SER 109  -4.717 -10.404   3.465
  814    HA   SER 109           HA       SER 109  -4.674 -10.639   0.596
  815   1HB   SER 109          2HB       SER 109  -2.966  -9.029   1.093
  816   2HB   SER 109          1HB       SER 109  -2.259 -10.099   2.295
  817    HG   SER 109           HG       SER 109  -1.053 -10.469   0.492
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1 -17.943  -6.605  -6.702
    2   2H    MET   1          2HT       MET   1 -16.959  -6.478  -5.332
    3   3H    MET   1          3HT       MET   1 -17.312  -5.118  -6.230
    4    HA   MET   1           HA       MET   1 -19.555  -5.163  -5.654
    5   1HB   MET   1          2HB       MET   1 -20.383  -6.799  -3.933
    6   2HB   MET   1          1HB       MET   1 -19.972  -7.535  -5.465
    7   1HG   MET   1          2HG       MET   1 -19.254  -8.983  -3.711
    8   2HG   MET   1          1HG       MET   1 -17.824  -8.294  -4.461
    9   1HE   MET   1          1HE       MET   1 -16.317  -9.083  -2.440
   10   2HE   MET   1          2HE       MET   1 -17.732  -9.830  -1.698
   11   3HE   MET   1          3HE       MET   1 -16.698  -8.760  -0.750
   12    H    GLY   2           H        GLY   2 -20.374  -4.359  -3.533
   13   1HA   GLY   2          2HA       GLY   2 -20.092  -3.260  -1.539
   14   2HA   GLY   2          1HA       GLY   2 -18.456  -3.899  -1.453
   15    H    HIS   3           H        HIS   3 -20.454  -1.452  -2.974
   16    HA   HIS   3           HA       HIS   3 -18.168   0.069  -3.891
   17   1HB   HIS   3          2HB       HIS   3 -21.087   0.875  -3.809
   18   2HB   HIS   3          1HB       HIS   3 -19.806   1.725  -4.655
   19    HD1  HIS   3           1HD      HIS   3 -22.484  -0.528  -5.269
   20    HD2  HIS   3           2HD      HIS   3 -18.617  -0.148  -6.722
   21    HE1  HIS   3           1HE      HIS   3 -22.479  -1.716  -7.461
   22    HE2  HIS   3           2HE      HIS   3 -20.233  -1.174  -8.438
   23    H    HIS   4           H        HIS   4 -17.017   0.647  -2.074
   24    HA   HIS   4           HA       HIS   4 -16.368   1.885  -0.323
   25   1HB   HIS   4          2HB       HIS   4 -16.838   3.819  -1.627
   26   2HB   HIS   4          1HB       HIS   4 -18.567   3.675  -1.362
   27    HD1  HIS   4           1HD      HIS   4 -15.475   4.253   0.909
   28    HD2  HIS   4           2HD      HIS   4 -19.406   5.525   0.375
   29    HE1  HIS   4           1HE      HIS   4 -15.843   6.029   2.595
   30    HE2  HIS   4           2HE      HIS   4 -18.291   6.571   2.441
   31    H    HIS   5           H        HIS   5 -16.504   0.813   1.427
   32    HA   HIS   5           HA       HIS   5 -19.077   0.570   2.809
   33   1HB   HIS   5          2HB       HIS   5 -16.399  -0.737   3.361
   34   2HB   HIS   5          1HB       HIS   5 -17.787  -0.909   4.420
   35    HD1  HIS   5           1HD      HIS   5 -16.218  -2.289   1.402
   36    HD2  HIS   5           2HD      HIS   5 -19.952  -2.411   3.214
   37    HE1  HIS   5           1HE      HIS   5 -17.389  -4.224   0.378
   38    HE2  HIS   5           2HE      HIS   5 -19.462  -4.472   1.734
   39    H    HIS   6           H        HIS   6 -18.820   0.813   5.329
   40    HA   HIS   6           HA       HIS   6 -16.857   2.614   6.166
   41   1HB   HIS   6          2HB       HIS   6 -18.361   4.551   6.762
   42   2HB   HIS   6          1HB       HIS   6 -18.005   4.364   5.055
   43    HD1  HIS   6           1HD      HIS   6 -20.791   4.661   7.438
   44    HD2  HIS   6           2HD      HIS   6 -20.249   3.355   3.537
   45    HE1  HIS   6           1HE      HIS   6 -23.074   4.609   6.430
   46    HE2  HIS   6           2HE      HIS   6 -22.712   3.440   4.229
   47    H    HIS   7           H        HIS   7 -16.412   1.386   7.755
   48    HA   HIS   7           HA       HIS   7 -18.249   1.458  10.022
   49   1HB   HIS   7          2HB       HIS   7 -18.239  -0.871   9.046
   50   2HB   HIS   7          1HB       HIS   7 -16.496  -0.913   9.214
   51    HD1  HIS   7           1HD      HIS   7 -19.617  -1.579  11.000
   52    HD2  HIS   7           2HD      HIS   7 -15.624  -1.082  11.985
   53    HE1  HIS   7           1HE      HIS   7 -19.364  -2.523  13.311
   54    HE2  HIS   7           2HE      HIS   7 -17.068  -1.832  13.976
   55    H    HIS   8           H        HIS   8 -17.063   3.338  10.427
   56    HA   HIS   8           HA       HIS   8 -15.480   4.692  11.260
   57   1HB   HIS   8          2HB       HIS   8 -13.983   2.141  11.961
   58   2HB   HIS   8          1HB       HIS   8 -13.355   3.737  12.327
   59    HD1  HIS   8           1HD      HIS   8 -14.961   1.089  13.924
   60    HD2  HIS   8           2HD      HIS   8 -15.518   5.187  13.944
   61    HE1  HIS   8           1HE      HIS   8 -16.133   1.578  16.051
   62    HE2  HIS   8           2HE      HIS   8 -16.025   4.054  16.207
   63    H    LEU   9           H        LEU   9 -14.042   2.064   9.516
   64    HA   LEU   9           HA       LEU   9 -12.941   3.878   7.523
   65   1HB   LEU   9          2HB       LEU   9 -11.482   1.565   8.849
   66   2HB   LEU   9          1HB       LEU   9 -10.902   2.445   7.451
   67    HG   LEU   9           HG       LEU   9 -11.244   3.576  10.235
   68   1HD1  LEU   9          1HD1      LEU   9  -9.395   1.997  10.093
   69   2HD1  LEU   9          2HD1      LEU   9  -8.802   3.646  10.267
   70   3HD1  LEU   9          3HD1      LEU   9  -8.760   2.855   8.688
   71   1HD2  LEU   9          1HD2      LEU   9 -11.603   5.284   8.530
   72   2HD2  LEU   9          2HD2      LEU   9 -10.108   4.806   7.726
   73   3HD2  LEU   9          3HD2      LEU   9 -10.044   5.536   9.326
   74    H    GLU  10           H        GLU  10 -12.139   2.081   5.667
   75    HA   GLU  10           HA       GLU  10 -14.240   0.071   5.737
   76   1HB   GLU  10          2HB       GLU  10 -14.603   0.257   3.331
   77   2HB   GLU  10          1HB       GLU  10 -14.950   1.767   4.146
   78   1HG   GLU  10          2HG       GLU  10 -12.839   2.673   3.351
   79   2HG   GLU  10          1HG       GLU  10 -12.468   1.129   2.578
   80    H    GLU  11           H        GLU  11 -13.861  -1.906   4.599
   81    HA   GLU  11           HA       GLU  11 -11.069  -2.511   4.601
   82   1HB   GLU  11          2HB       GLU  11 -12.403  -3.886   6.038
   83   2HB   GLU  11          1HB       GLU  11 -13.561  -4.176   4.736
   84   1HG   GLU  11          2HG       GLU  11 -12.029  -5.469   3.649
   85   2HG   GLU  11          1HG       GLU  11 -10.702  -5.032   4.624
   86    H    PHE  12           H        PHE  12 -10.110  -3.363   2.900
   87    HA   PHE  12           HA       PHE  12 -11.605  -3.477   0.387
   88   1HB   PHE  12          2HB       PHE  12  -8.744  -2.702   0.912
   89   2HB   PHE  12          1HB       PHE  12  -9.517  -3.023  -0.620
   90    HD1  PHE  12           1HD      PHE  12  -9.216  -0.670   2.175
   91    HD2  PHE  12           2HD      PHE  12 -11.037  -1.380  -1.605
   92    HE1  PHE  12           1HE      PHE  12  -9.871   1.693   2.053
   93    HE2  PHE  12           2HE      PHE  12 -11.694   0.984  -1.736
   94    HZ   PHE  12           HZ       PHE  12 -11.110   2.526   0.094
   95    H    THR  13           H        THR  13 -11.379  -5.415  -0.631
   96    HA   THR  13           HA       THR  13  -9.683  -7.372   0.658
   97    HB   THR  13           HB       THR  13 -11.293  -7.706  -1.863
   98    HG1  THR  13           1HG      THR  13 -12.452  -8.544   0.515
   99   1HG2  THR  13          1HG2      THR  13 -11.395 -10.023  -1.096
  100   2HG2  THR  13          2HG2      THR  13 -10.405  -9.552   0.322
  101   3HG2  THR  13          3HG2      THR  13  -9.740  -9.425  -1.303
  102    H    ALA  14           H        ALA  14  -8.007  -8.460  -0.555
  103    HA   ALA  14           HA       ALA  14  -6.198  -6.814  -1.881
  104   1HB   ALA  14          1HB       ALA  14  -6.393  -9.810  -2.162
  105   2HB   ALA  14          2HB       ALA  14  -5.582  -8.956  -0.848
  106   3HB   ALA  14          3HB       ALA  14  -4.970  -8.826  -2.497
  107    H    GLU  15           H        GLU  15  -8.458  -9.098  -3.334
  108    HA   GLU  15           HA       GLU  15  -7.805  -8.724  -6.029
  109   1HB   GLU  15          2HB       GLU  15 -10.448  -9.410  -4.754
  110   2HB   GLU  15          1HB       GLU  15 -10.075  -9.619  -6.455
  111   1HG   GLU  15          2HG       GLU  15  -8.361 -11.243  -5.903
  112   2HG   GLU  15          1HG       GLU  15  -8.660 -10.992  -4.184
  113    H    GLN  16           H        GLN  16  -9.960  -7.011  -3.913
  114    HA   GLN  16           HA       GLN  16 -11.027  -5.322  -5.952
  115   1HB   GLN  16          2HB       GLN  16 -11.307  -5.380  -2.965
  116   2HB   GLN  16          1HB       GLN  16 -11.938  -4.029  -3.879
  117   1HG   GLN  16          2HG       GLN  16 -13.700  -5.646  -3.392
  118   2HG   GLN  16          1HG       GLN  16 -13.405  -5.552  -5.117
  119   1HE2  GLN  16          1HE2      GLN  16 -13.182  -7.544  -2.274
  120   2HE2  GLN  16          2HE2      GLN  16 -12.865  -9.005  -3.123
  121    H    LEU  17           H        LEU  17  -8.633  -4.957  -3.413
  122    HA   LEU  17           HA       LEU  17  -8.172  -2.219  -3.484
  123   1HB   LEU  17          2HB       LEU  17  -7.344  -4.030  -1.854
  124   2HB   LEU  17          1HB       LEU  17  -6.069  -4.336  -3.000
  125    HG   LEU  17           HG       LEU  17  -5.187  -3.015  -1.188
  126   1HD1  LEU  17          1HD1      LEU  17  -4.334  -1.066  -2.200
  127   2HD1  LEU  17          2HD1      LEU  17  -5.481  -1.259  -3.530
  128   3HD1  LEU  17          3HD1      LEU  17  -4.229  -2.479  -3.256
  129   1HD2  LEU  17          1HD2      LEU  17  -6.020  -0.806  -0.615
  130   2HD2  LEU  17          2HD2      LEU  17  -7.190  -2.081  -0.312
  131   3HD2  LEU  17          3HD2      LEU  17  -7.375  -1.034  -1.729
  132    H    SER  18           H        SER  18  -6.575  -4.821  -5.345
  133    HA   SER  18           HA       SER  18  -4.753  -3.146  -6.637
  134   1HB   SER  18          2HB       SER  18  -5.778  -5.858  -7.444
  135   2HB   SER  18          1HB       SER  18  -4.366  -5.052  -8.140
  136    HG   SER  18           HG       SER  18  -3.801  -4.830  -5.784
  137    H    GLN  19           H        GLN  19  -8.081  -3.407  -7.190
  138    HA   GLN  19           HA       GLN  19  -7.884  -2.646  -9.964
  139   1HB   GLN  19          2HB       GLN  19 -10.262  -2.881  -8.107
  140   2HB   GLN  19          1HB       GLN  19 -10.384  -2.419  -9.798
  141   1HG   GLN  19          2HG       GLN  19  -9.482  -4.566 -10.483
  142   2HG   GLN  19          1HG       GLN  19  -9.255  -5.028  -8.800
  143   1HE2  GLN  19          1HE2      GLN  19 -11.004  -5.634  -7.606
  144   2HE2  GLN  19          2HE2      GLN  19 -12.557  -5.970  -8.290
  145    H    TYR  20           H        TYR  20  -7.773  -1.153  -6.935
  146    HA   TYR  20           HA       TYR  20  -8.753   1.409  -7.827
  147   1HB   TYR  20          2HB       TYR  20  -7.711   0.430  -5.169
  148   2HB   TYR  20          1HB       TYR  20  -8.129   2.110  -5.482
  149    HD1  TYR  20           1HD      TYR  20 -10.436   2.771  -5.816
  150    HD2  TYR  20           2HD      TYR  20  -9.452  -1.257  -4.945
  151    HE1  TYR  20           1HE      TYR  20 -12.796   2.321  -5.295
  152    HE2  TYR  20           2HE      TYR  20 -11.807  -1.727  -4.418
  153    HH   TYR  20           HH       TYR  20 -13.816  -0.531  -3.742
  154    H    ASN  21           H        ASN  21  -6.285   0.148  -8.913
  155    HA   ASN  21           HA       ASN  21  -4.121   1.796  -8.020
  156   1HB   ASN  21          2HB       ASN  21  -2.816   0.911  -9.895
  157   2HB   ASN  21          1HB       ASN  21  -3.673  -0.398  -9.093
  158   1HD2  ASN  21          1HD2      ASN  21  -5.268  -1.520 -10.242
  159   2HD2  ASN  21          2HD2      ASN  21  -5.486  -1.266 -11.935
  160    H    GLY  22           H        GLY  22  -6.715   2.276 -10.121
  161   1HA   GLY  22          2HA       GLY  22  -7.275   4.586 -10.556
  162   2HA   GLY  22          1HA       GLY  22  -5.574   4.882 -10.938
  163    H    THR  23           H        THR  23  -5.227   2.572 -12.493
  164    HA   THR  23           HA       THR  23  -5.982   3.502 -15.008
  165    HB   THR  23           HB       THR  23  -5.040   0.837 -14.040
  166    HG1  THR  23           1HG      THR  23  -3.821   3.255 -14.673
  167   1HG2  THR  23          1HG2      THR  23  -4.957   2.011 -16.821
  168   2HG2  THR  23          2HG2      THR  23  -5.949   0.652 -16.274
  169   3HG2  THR  23          3HG2      THR  23  -4.188   0.490 -16.336
  170    H    ASP  24           H        ASP  24  -7.637   1.368 -12.734
  171    HA   ASP  24           HA       ASP  24  -9.222   0.118 -14.785
  172   1HB   ASP  24          2HB       ASP  24  -8.297  -1.073 -12.821
  173   2HB   ASP  24          1HB       ASP  24  -9.314  -0.106 -11.789
  174    H    GLU  25           H        GLU  25 -10.531   1.739 -15.598
  175    HA   GLU  25           HA       GLU  25 -12.382   3.081 -15.791
  176   1HB   GLU  25          2HB       GLU  25 -13.213   1.788 -13.205
  177   2HB   GLU  25          1HB       GLU  25 -14.262   2.654 -14.315
  178   1HG   GLU  25          2HG       GLU  25 -13.959   0.931 -15.977
  179   2HG   GLU  25          1HG       GLU  25 -12.809   0.101 -14.921
  180    H    SER  26           H        SER  26 -10.081   3.991 -14.186
  181    HA   SER  26           HA       SER  26  -9.381   5.577 -12.825
  182   1HB   SER  26          2HB       SER  26 -10.538   7.822 -12.909
  183   2HB   SER  26          1HB       SER  26 -10.223   7.125 -14.495
  184    HG   SER  26           HG       SER  26 -12.530   6.247 -13.708
  185    H    LYS  27           H        LYS  27  -9.728   4.054 -11.236
  186    HA   LYS  27           HA       LYS  27 -11.740   4.482  -9.168
  187   1HB   LYS  27          2HB       LYS  27  -9.156   2.941  -9.164
  188   2HB   LYS  27          1HB       LYS  27 -10.343   2.914  -7.873
  189   1HG   LYS  27          2HG       LYS  27 -10.897   2.037 -10.679
  190   2HG   LYS  27          1HG       LYS  27 -10.323   0.955  -9.418
  191   1HD   LYS  27          2HD       LYS  27 -12.319   1.470  -8.097
  192   2HD   LYS  27          1HD       LYS  27 -12.886   2.537  -9.387
  193   1HE   LYS  27          2HE       LYS  27 -12.154  -0.297  -9.854
  194   2HE   LYS  27          1HE       LYS  27 -13.834   0.132  -9.408
  195   1HZ   LYS  27          1HZ       LYS  27 -13.767   1.545 -11.445
  196   2HZ   LYS  27          2HZ       LYS  27 -13.577  -0.096 -11.796
  197   3HZ   LYS  27          3HZ       LYS  27 -12.239   0.914 -11.796
  198    HA   PRO  28           HA       PRO  28  -9.203   7.322  -6.591
  199   1HB   PRO  28          2HB       PRO  28 -10.175   5.677  -4.314
  200   2HB   PRO  28          1HB       PRO  28 -10.327   7.420  -4.554
  201   1HG   PRO  28          2HG       PRO  28 -12.445   5.812  -4.784
  202   2HG   PRO  28          1HG       PRO  28 -12.232   7.211  -5.853
  203   1HD   PRO  28          2HD       PRO  28 -11.763   4.312  -6.411
  204   2HD   PRO  28          1HD       PRO  28 -12.448   5.568  -7.458
  205    H    ILE  29           H        ILE  29  -7.211   6.993  -5.345
  206    HA   ILE  29           HA       ILE  29  -6.137   4.348  -6.005
  207    HB   ILE  29           HB       ILE  29  -4.501   6.879  -5.556
  208   1HG1  ILE  29          2HG1      ILE  29  -4.104   6.723  -8.109
  209   2HG1  ILE  29          1HG1      ILE  29  -5.529   5.717  -8.160
  210   1HG2  ILE  29          1HG2      ILE  29  -3.776   4.230  -6.766
  211   2HG2  ILE  29          2HG2      ILE  29  -3.276   4.830  -5.187
  212   3HG2  ILE  29          3HG2      ILE  29  -2.707   5.628  -6.657
  213   1HD1  ILE  29          1HD1      ILE  29  -6.047   7.980  -8.749
  214   2HD1  ILE  29          2HD1      ILE  29  -5.337   8.549  -7.247
  215   3HD1  ILE  29          3HD1      ILE  29  -6.827   7.590  -7.205
  216    H    TYR  30           H        TYR  30  -5.305   3.051  -4.451
  217    HA   TYR  30           HA       TYR  30  -4.894   4.113  -1.730
  218   1HB   TYR  30          2HB       TYR  30  -6.507   1.650  -2.409
  219   2HB   TYR  30          1HB       TYR  30  -6.082   2.203  -0.804
  220    HD1  TYR  30           1HD      TYR  30  -8.486   2.326  -3.424
  221    HD2  TYR  30           2HD      TYR  30  -7.049   4.454  -0.044
  222    HE1  TYR  30           1HE      TYR  30 -10.597   3.573  -3.319
  223    HE2  TYR  30           2HE      TYR  30  -9.163   5.702   0.069
  224    HH   TYR  30           HH       TYR  30 -10.962   6.340  -1.441
  225    H    VAL  31           H        VAL  31  -3.233   3.363  -0.771
  226    HA   VAL  31           HA       VAL  31  -1.863   1.079  -2.027
  227    HB   VAL  31           HB       VAL  31   0.208   1.879  -1.113
  228   1HG1  VAL  31          1HG1      VAL  31   0.547   3.917  -2.348
  229   2HG1  VAL  31          2HG1      VAL  31  -1.208   4.067  -2.575
  230   3HG1  VAL  31          3HG1      VAL  31  -0.322   2.701  -3.278
  231   1HG2  VAL  31          1HG2      VAL  31  -1.319   4.212  -0.039
  232   2HG2  VAL  31          2HG2      VAL  31   0.453   4.004  -0.025
  233   3HG2  VAL  31          3HG2      VAL  31  -0.575   2.907   0.905
  234    H    ALA  32           H        ALA  32  -0.696  -0.325  -0.499
  235    HA   ALA  32           HA       ALA  32  -1.778  -0.132   2.187
  236   1HB   ALA  32          1HB       ALA  32  -2.094  -2.547   2.237
  237   2HB   ALA  32          2HB       ALA  32  -1.561  -2.666   0.561
  238   3HB   ALA  32          3HB       ALA  32  -3.058  -1.825   0.951
  239    H    ILE  33           H        ILE  33  -0.346  -0.373   3.704
  240    HA   ILE  33           HA       ILE  33   2.242  -1.657   3.092
  241    HB   ILE  33           HB       ILE  33   1.732   0.722   4.945
  242   1HG1  ILE  33          2HG1      ILE  33   3.203   0.654   2.322
  243   2HG1  ILE  33          1HG1      ILE  33   1.636   1.397   2.565
  244   1HG2  ILE  33          1HG2      ILE  33   3.568  -0.592   5.825
  245   2HG2  ILE  33          2HG2      ILE  33   4.200   0.892   5.065
  246   3HG2  ILE  33          3HG2      ILE  33   4.331  -0.628   4.227
  247   1HD1  ILE  33          1HD1      ILE  33   3.384   3.070   2.548
  248   2HD1  ILE  33          2HD1      ILE  33   4.226   2.209   3.836
  249   3HD1  ILE  33          3HD1      ILE  33   2.669   2.970   4.164
  250    H    LYS  34           H        LYS  34   2.065  -3.557   4.174
  251    HA   LYS  34           HA       LYS  34   1.516  -5.111   5.641
  252   1HB   LYS  34          2HB       LYS  34   2.107  -2.850   7.491
  253   2HB   LYS  34          1HB       LYS  34   1.403  -4.314   8.167
  254   1HG   LYS  34          2HG       LYS  34   3.950  -4.158   6.569
  255   2HG   LYS  34          1HG       LYS  34   3.825  -4.377   8.321
  256   1HD   LYS  34          2HD       LYS  34   2.551  -6.463   7.956
  257   2HD   LYS  34          1HD       LYS  34   2.743  -6.287   6.226
  258   1HE   LYS  34          2HE       LYS  34   5.161  -6.347   6.532
  259   2HE   LYS  34          1HE       LYS  34   4.891  -6.679   8.244
  260   1HZ   LYS  34          1HZ       LYS  34   3.934  -8.324   5.985
  261   2HZ   LYS  34          2HZ       LYS  34   3.618  -8.648   7.600
  262   3HZ   LYS  34          3HZ       LYS  34   5.204  -8.733   7.023
  263    H    GLY  35           H        GLY  35  -0.549  -3.834   4.338
  264   1HA   GLY  35          2HA       GLY  35  -2.748  -4.376   4.278
  265   2HA   GLY  35          1HA       GLY  35  -2.772  -4.754   5.981
  266    H    ARG  36           H        ARG  36  -1.267  -1.921   6.028
  267    HA   ARG  36           HA       ARG  36  -3.605  -0.466   6.799
  268   1HB   ARG  36          2HB       ARG  36  -0.696   0.310   6.544
  269   2HB   ARG  36          1HB       ARG  36  -1.940   1.226   7.394
  270   1HG   ARG  36          2HG       ARG  36  -2.127  -0.378   9.102
  271   2HG   ARG  36          1HG       ARG  36  -1.337  -1.602   8.095
  272   1HD   ARG  36          2HD       ARG  36   0.131  -0.821   9.892
  273   2HD   ARG  36          1HD       ARG  36   0.748  -0.482   8.281
  274    HE   ARG  36           HE       ARG  36  -0.581   1.784   9.133
  275   1HH1  ARG  36          1HH1      ARG  36   2.189  -0.178  10.179
  276   2HH1  ARG  36          2HH1      ARG  36   3.073   1.124  10.763
  277   1HH2  ARG  36          1HH2      ARG  36   0.698   3.620   9.961
  278   2HH2  ARG  36          2HH2      ARG  36   2.209   3.302  10.653
  279    H    VAL  37           H        VAL  37  -4.851   0.355   5.262
  280    HA   VAL  37           HA       VAL  37  -3.677   1.001   2.705
  281    HB   VAL  37           HB       VAL  37  -6.578   0.753   3.556
  282   1HG1  VAL  37          1HG1      VAL  37  -6.346   2.481   1.825
  283   2HG1  VAL  37          2HG1      VAL  37  -7.116   1.027   1.177
  284   3HG1  VAL  37          3HG1      VAL  37  -5.406   1.352   0.848
  285   1HG2  VAL  37          1HG2      VAL  37  -4.840  -0.886   1.733
  286   2HG2  VAL  37          2HG2      VAL  37  -6.551  -1.162   2.053
  287   3HG2  VAL  37          3HG2      VAL  37  -5.371  -1.342   3.351
  288    H    PHE  38           H        PHE  38  -3.146   2.877   2.199
  289    HA   PHE  38           HA       PHE  38  -4.212   5.208   3.664
  290   1HB   PHE  38          2HB       PHE  38  -1.746   4.860   2.013
  291   2HB   PHE  38          1HB       PHE  38  -2.205   6.381   2.767
  292    HD1  PHE  38           1HD      PHE  38  -1.747   6.747   5.097
  293    HD2  PHE  38           2HD      PHE  38  -0.937   2.967   3.331
  294    HE1  PHE  38           1HE      PHE  38  -0.422   6.110   7.067
  295    HE2  PHE  38           2HE      PHE  38   0.381   2.324   5.299
  296    HZ   PHE  38           HZ       PHE  38   0.649   3.897   7.171
  297    H    ASP  39           H        ASP  39  -5.264   6.751   2.497
  298    HA   ASP  39           HA       ASP  39  -5.808   6.217  -0.302
  299   1HB   ASP  39          2HB       ASP  39  -7.666   7.115   0.995
  300   2HB   ASP  39          1HB       ASP  39  -6.706   8.525   1.444
  301    H    VAL  40           H        VAL  40  -4.524   6.809  -1.813
  302    HA   VAL  40           HA       VAL  40  -2.850   9.161  -1.342
  303    HB   VAL  40           HB       VAL  40  -1.269   8.216  -3.032
  304   1HG1  VAL  40          1HG1      VAL  40  -0.837   7.920  -0.670
  305   2HG1  VAL  40          2HG1      VAL  40  -0.290   6.541  -1.618
  306   3HG1  VAL  40          3HG1      VAL  40  -1.782   6.421  -0.668
  307   1HG2  VAL  40          1HG2      VAL  40  -2.821   6.776  -4.211
  308   2HG2  VAL  40          2HG2      VAL  40  -2.969   5.745  -2.785
  309   3HG2  VAL  40          3HG2      VAL  40  -1.424   5.875  -3.633
  310    H    THR  41           H        THR  41  -5.624   8.800  -2.491
  311    HA   THR  41           HA       THR  41  -5.480   9.377  -5.245
  312    HB   THR  41           HB       THR  41  -7.707  10.148  -3.330
  313    HG1  THR  41           1HG      THR  41  -7.774   8.048  -3.040
  314   1HG2  THR  41          1HG2      THR  41  -7.892  11.090  -5.598
  315   2HG2  THR  41          2HG2      THR  41  -9.126   9.850  -5.333
  316   3HG2  THR  41          3HG2      THR  41  -7.678   9.476  -6.272
  317    H    THR  42           H        THR  42  -5.312  11.282  -2.337
  318    HA   THR  42           HA       THR  42  -5.600  13.821  -3.570
  319    HB   THR  42           HB       THR  42  -6.029  13.543  -1.157
  320    HG1  THR  42           1HG      THR  42  -4.269  15.261  -0.514
  321   1HG2  THR  42          1HG2      THR  42  -4.314  11.867  -0.633
  322   2HG2  THR  42          2HG2      THR  42  -4.167  13.258   0.442
  323   3HG2  THR  42          3HG2      THR  42  -3.051  13.066  -0.910
  324    H    GLY  43           H        GLY  43  -2.998  11.589  -3.331
  325   1HA   GLY  43          2HA       GLY  43  -1.142  13.601  -4.415
  326   2HA   GLY  43          1HA       GLY  43  -0.635  12.241  -3.412
  327    H    LYS  44           H        LYS  44  -3.044  12.233  -5.926
  328    HA   LYS  44           HA       LYS  44  -2.267   9.808  -7.082
  329   1HB   LYS  44          2HB       LYS  44  -4.487  10.828  -7.358
  330   2HB   LYS  44          1HB       LYS  44  -3.778  12.084  -8.358
  331   1HG   LYS  44          2HG       LYS  44  -3.085  10.331  -9.988
  332   2HG   LYS  44          1HG       LYS  44  -3.909   9.149  -8.986
  333   1HD   LYS  44          2HD       LYS  44  -5.981  10.379  -9.226
  334   2HD   LYS  44          1HD       LYS  44  -5.174  11.541 -10.262
  335   1HE   LYS  44          2HE       LYS  44  -4.648   9.788 -11.889
  336   2HE   LYS  44          1HE       LYS  44  -5.443   8.591 -10.867
  337   1HZ   LYS  44          1HZ       LYS  44  -6.872   9.336 -12.662
  338   2HZ   LYS  44          2HZ       LYS  44  -6.763  10.923 -12.150
  339   3HZ   LYS  44          3HZ       LYS  44  -7.526   9.764 -11.174
  340    H    SER  45           H        SER  45  -1.349  13.050  -7.692
  341    HA   SER  45           HA       SER  45  -0.125  12.971 -10.143
  342   1HB   SER  45          2HB       SER  45   0.789  14.511  -7.712
  343   2HB   SER  45          1HB       SER  45   1.150  14.909  -9.395
  344    HG   SER  45           HG       SER  45  -0.606  16.030  -9.249
  345    H    PHE  46           H        PHE  46   1.018  11.521  -7.194
  346    HA   PHE  46           HA       PHE  46   3.591  10.880  -8.448
  347   1HB   PHE  46          2HB       PHE  46   2.591  10.490  -5.628
  348   2HB   PHE  46          1HB       PHE  46   4.116   9.851  -6.213
  349    HD1  PHE  46           1HD      PHE  46   5.996  11.277  -6.573
  350    HD2  PHE  46           2HD      PHE  46   2.269  12.894  -5.335
  351    HE1  PHE  46           1HE      PHE  46   7.111  13.396  -6.017
  352    HE2  PHE  46           2HE      PHE  46   3.379  15.018  -4.778
  353    HZ   PHE  46           HZ       PHE  46   5.801  15.267  -5.117
  354    H    TYR  47           H        TYR  47   0.693   9.296  -7.121
  355    HA   TYR  47           HA       TYR  47   1.855   6.768  -7.820
  356   1HB   TYR  47          2HB       TYR  47  -0.806   7.396  -6.546
  357   2HB   TYR  47          1HB       TYR  47  -0.073   5.793  -6.683
  358    HD1  TYR  47           1HD      TYR  47   1.799   5.165  -5.270
  359    HD2  TYR  47           2HD      TYR  47   0.110   9.049  -5.025
  360    HE1  TYR  47           1HE      TYR  47   3.049   5.591  -3.193
  361    HE2  TYR  47           2HE      TYR  47   1.349   9.471  -2.967
  362    HH   TYR  47           HH       TYR  47   3.888   7.534  -1.943
  363    H    GLY  48           H        GLY  48  -1.473   7.887  -8.419
  364   1HA   GLY  48          2HA       GLY  48  -1.640   6.032 -10.604
  365   2HA   GLY  48          1HA       GLY  48  -2.919   7.093 -10.047
  366    H    SER  49           H        SER  49  -0.466   9.128 -10.490
  367    HA   SER  49           HA       SER  49  -0.840   9.422 -13.379
  368   1HB   SER  49          2HB       SER  49  -2.466  10.747 -12.277
  369   2HB   SER  49          1HB       SER  49  -1.263  11.566 -11.285
  370    HG   SER  49           HG       SER  49  -0.431  11.925 -13.706
  371    H    GLY  50           H        GLY  50   1.261   8.831 -11.087
  372   1HA   GLY  50          2HA       GLY  50   3.284  10.719 -12.077
  373   2HA   GLY  50          1HA       GLY  50   3.367   9.863 -10.538
  374    H    GLY  51           H        GLY  51   2.173   7.578 -12.180
  375   1HA   GLY  51          2HA       GLY  51   2.903   5.729 -13.276
  376   2HA   GLY  51          1HA       GLY  51   4.173   6.704 -14.014
  377    H    ASP  52           H        ASP  52   5.729   7.282 -12.079
  378    HA   ASP  52           HA       ASP  52   7.235   4.937 -11.725
  379   1HB   ASP  52          2HB       ASP  52   8.190   7.045 -12.033
  380   2HB   ASP  52          1HB       ASP  52   7.414   7.661 -10.583
  381    H    TYR  53           H        TYR  53   4.901   6.438  -9.661
  382    HA   TYR  53           HA       TYR  53   5.675   4.613  -7.490
  383   1HB   TYR  53          2HB       TYR  53   3.929   7.082  -7.406
  384   2HB   TYR  53          1HB       TYR  53   4.249   6.036  -6.031
  385    HD1  TYR  53           1HD      TYR  53   5.657   8.563  -8.303
  386    HD2  TYR  53           2HD      TYR  53   6.362   6.154  -4.874
  387    HE1  TYR  53           1HE      TYR  53   7.613   9.933  -7.753
  388    HE2  TYR  53           2HE      TYR  53   8.329   7.518  -4.310
  389    HH   TYR  53           HH       TYR  53   9.923   8.995  -5.450
  390    H    SER  54           H        SER  54   3.828   4.444 -10.088
  391    HA   SER  54           HA       SER  54   1.272   3.923  -8.927
  392   1HB   SER  54          2HB       SER  54   1.543   4.855 -11.267
  393   2HB   SER  54          1HB       SER  54   2.198   3.256 -11.672
  394    HG   SER  54           HG       SER  54   0.103   2.525 -10.678
  395    H    MET  55           H        MET  55   4.084   2.086  -9.187
  396    HA   MET  55           HA       MET  55   2.973  -0.482  -9.559
  397   1HB   MET  55          2HB       MET  55   5.363   0.282  -7.878
  398   2HB   MET  55          1HB       MET  55   4.931  -1.359  -8.319
  399   1HG   MET  55          2HG       MET  55   6.655  -0.717  -9.682
  400   2HG   MET  55          1HG       MET  55   5.226  -0.720 -10.692
  401   1HE   MET  55          1HE       MET  55   7.289   2.267 -12.252
  402   2HE   MET  55          2HE       MET  55   6.467   0.741 -12.578
  403   3HE   MET  55          3HE       MET  55   7.929   0.760 -11.591
  404    H    PHE  56           H        PHE  56   3.271   1.629  -6.866
  405    HA   PHE  56           HA       PHE  56   1.491  -0.127  -5.460
  406   1HB   PHE  56          2HB       PHE  56   2.169   1.372  -3.429
  407   2HB   PHE  56          1HB       PHE  56   3.156   0.002  -3.818
  408    HD1  PHE  56           1HD      PHE  56   3.008   3.534  -3.321
  409    HD2  PHE  56           2HD      PHE  56   5.293   0.464  -5.172
  410    HE1  PHE  56           1HE      PHE  56   4.976   5.036  -3.412
  411    HE2  PHE  56           2HE      PHE  56   7.243   1.951  -5.265
  412    HZ   PHE  56           HZ       PHE  56   7.085   4.237  -4.384
  413    H    ALA  57           H        ALA  57   0.097   0.805  -7.085
  414    HA   ALA  57           HA       ALA  57  -1.180   3.158  -5.903
  415   1HB   ALA  57          1HB       ALA  57  -2.345   3.360  -8.073
  416   2HB   ALA  57          2HB       ALA  57  -1.464   1.946  -8.658
  417   3HB   ALA  57          3HB       ALA  57  -0.596   3.421  -8.251
  418    H    GLY  58           H        GLY  58  -1.314  -0.181  -6.306
  419   1HA   GLY  58          2HA       GLY  58  -3.625  -0.370  -4.655
  420   2HA   GLY  58          1HA       GLY  58  -3.954  -0.999  -6.253
  421    H    LYS  59           H        LYS  59  -1.263  -1.070  -3.992
  422    HA   LYS  59           HA       LYS  59  -1.224  -4.003  -4.025
  423   1HB   LYS  59          2HB       LYS  59   1.090  -2.190  -4.687
  424   2HB   LYS  59          1HB       LYS  59   1.258  -3.872  -4.259
  425   1HG   LYS  59          2HG       LYS  59  -0.416  -3.077  -6.592
  426   2HG   LYS  59          1HG       LYS  59   1.335  -3.094  -6.737
  427   1HD   LYS  59          2HD       LYS  59   0.554  -5.200  -7.529
  428   2HD   LYS  59          1HD       LYS  59   1.279  -5.445  -5.945
  429   1HE   LYS  59          2HE       LYS  59  -0.858  -5.642  -4.916
  430   2HE   LYS  59          1HE       LYS  59  -1.693  -5.182  -6.408
  431   1HZ   LYS  59          1HZ       LYS  59  -1.735  -7.572  -6.045
  432   2HZ   LYS  59          2HZ       LYS  59  -0.053  -7.622  -5.985
  433   3HZ   LYS  59          3HZ       LYS  59  -0.825  -7.204  -7.416
  434    H    ASP  60           H        ASP  60  -0.254  -4.820  -2.124
  435    HA   ASP  60           HA       ASP  60   0.449  -2.837  -0.118
  436   1HB   ASP  60          2HB       ASP  60  -0.801  -5.004   0.492
  437   2HB   ASP  60          1HB       ASP  60   0.701  -5.850   0.123
  438    H    ALA  61           H        ALA  61   2.329  -2.043  -0.309
  439    HA   ALA  61           HA       ALA  61   4.397  -3.557  -1.745
  440   1HB   ALA  61          1HB       ALA  61   5.405  -1.383  -2.204
  441   2HB   ALA  61          2HB       ALA  61   4.136  -0.601  -1.256
  442   3HB   ALA  61          3HB       ALA  61   3.730  -1.488  -2.729
  443    H    SER  62           H        SER  62   3.810  -3.881   1.181
  444    HA   SER  62           HA       SER  62   5.588  -2.471   2.743
  445   1HB   SER  62          2HB       SER  62   3.776  -3.925   3.628
  446   2HB   SER  62          1HB       SER  62   4.713  -5.340   3.156
  447    HG   SER  62           HG       SER  62   6.237  -3.703   4.604
  448    H    ARG  63           H        ARG  63   6.203  -5.486   0.917
  449    HA   ARG  63           HA       ARG  63   8.893  -5.747   1.825
  450   1HB   ARG  63          2HB       ARG  63   7.825  -7.710   1.005
  451   2HB   ARG  63          1HB       ARG  63   7.427  -6.937  -0.521
  452   1HG   ARG  63          2HG       ARG  63   9.779  -6.874  -1.128
  453   2HG   ARG  63          1HG       ARG  63  10.210  -7.600   0.417
  454   1HD   ARG  63          2HD       ARG  63   9.175  -9.648  -0.161
  455   2HD   ARG  63          1HD       ARG  63   8.357  -8.919  -1.548
  456    HE   ARG  63           HE       ARG  63  10.871  -8.496  -2.195
  457   1HH1  ARG  63          1HH1      ARG  63   9.351 -11.478  -1.039
  458   2HH1  ARG  63          2HH1      ARG  63  10.396 -12.494  -1.928
  459   1HH2  ARG  63          1HH2      ARG  63  12.202  -9.840  -3.379
  460   2HH2  ARG  63          2HH2      ARG  63  12.084 -11.558  -3.314
  461    H    ALA  64           H        ALA  64   7.408  -4.030  -0.794
  462    HA   ALA  64           HA       ALA  64   9.763  -3.829  -2.421
  463   1HB   ALA  64          1HB       ALA  64   8.411  -2.290  -3.785
  464   2HB   ALA  64          2HB       ALA  64   7.159  -2.304  -2.543
  465   3HB   ALA  64          3HB       ALA  64   7.533  -3.779  -3.434
  466    H    LEU  65           H        LEU  65   8.090  -2.000  -0.073
  467    HA   LEU  65           HA       LEU  65   9.467   0.419  -0.187
  468   1HB   LEU  65          2HB       LEU  65   8.051  -1.032   1.999
  469   2HB   LEU  65          1HB       LEU  65   8.717   0.565   2.219
  470    HG   LEU  65           HG       LEU  65   6.454  -0.219   0.350
  471   1HD1  LEU  65          1HD1      LEU  65   6.493   1.483   2.838
  472   2HD1  LEU  65          2HD1      LEU  65   5.751  -0.098   2.647
  473   3HD1  LEU  65          3HD1      LEU  65   5.147   1.276   1.727
  474   1HD2  LEU  65          1HD2      LEU  65   6.313   2.180  -0.113
  475   2HD2  LEU  65          2HD2      LEU  65   7.852   1.464  -0.654
  476   3HD2  LEU  65          3HD2      LEU  65   7.776   2.375   0.867
  477    H    GLY  66           H        GLY  66  10.354  -2.626   1.273
  478   1HA   GLY  66          2HA       GLY  66  12.561  -1.274   2.593
  479   2HA   GLY  66          1HA       GLY  66  12.155  -2.951   2.846
  480    H    LYS  67           H        LYS  67  11.967  -3.422  -0.056
  481    HA   LYS  67           HA       LYS  67  14.695  -4.040  -0.568
  482   1HB   LYS  67          2HB       LYS  67  12.262  -4.121  -2.359
  483   2HB   LYS  67          1HB       LYS  67  13.837  -4.737  -2.816
  484   1HG   LYS  67          2HG       LYS  67  12.421  -5.744  -0.391
  485   2HG   LYS  67          1HG       LYS  67  12.006  -6.351  -1.979
  486   1HD   LYS  67          2HD       LYS  67  13.644  -7.823  -0.812
  487   2HD   LYS  67          1HD       LYS  67  14.268  -7.181  -2.322
  488   1HE   LYS  67          2HE       LYS  67  15.588  -5.604  -1.181
  489   2HE   LYS  67          1HE       LYS  67  14.889  -6.012   0.392
  490   1HZ   LYS  67          1HZ       LYS  67  16.609  -7.762  -1.316
  491   2HZ   LYS  67          2HZ       LYS  67  15.901  -8.203   0.179
  492   3HZ   LYS  67          3HZ       LYS  67  17.015  -6.955   0.120
  493    H    MET  68           H        MET  68  12.507  -1.503  -1.395
  494    HA   MET  68           HA       MET  68  12.622   0.389  -2.497
  495   1HB   MET  68          2HB       MET  68  15.614  -0.028  -2.278
  496   2HB   MET  68          1HB       MET  68  14.937   1.399  -3.066
  497   1HG   MET  68          2HG       MET  68  14.573   0.544  -0.207
  498   2HG   MET  68          1HG       MET  68  15.691   1.782  -0.773
  499   1HE   MET  68          1HE       MET  68  13.932   3.238  -3.031
  500   2HE   MET  68          2HE       MET  68  14.920   4.084  -1.841
  501   3HE   MET  68          3HE       MET  68  13.240   4.551  -2.081
  502    H    SER  69           H        SER  69  11.660  -1.371  -3.721
  503    HA   SER  69           HA       SER  69  12.620  -1.391  -6.411
  504   1HB   SER  69          2HB       SER  69  11.851  -3.914  -4.896
  505   2HB   SER  69          1HB       SER  69  12.385  -3.774  -6.526
  506    HG   SER  69           HG       SER  69  14.204  -2.558  -5.138
  507    H    LYS  70           H        LYS  70  10.801  -2.535  -7.556
  508    HA   LYS  70           HA       LYS  70   8.267  -1.904  -6.384
  509   1HB   LYS  70          2HB       LYS  70   7.928  -0.188  -8.333
  510   2HB   LYS  70          1HB       LYS  70   8.691   0.271  -6.817
  511   1HG   LYS  70          2HG       LYS  70  10.800   0.122  -7.666
  512   2HG   LYS  70          1HG       LYS  70  10.358  -0.641  -9.156
  513   1HD   LYS  70          2HD       LYS  70  10.839   1.710  -9.572
  514   2HD   LYS  70          1HD       LYS  70   9.085   1.503  -9.643
  515   1HE   LYS  70          2HE       LYS  70   8.854   2.320  -7.378
  516   2HE   LYS  70          1HE       LYS  70  10.602   2.453  -7.209
  517   1HZ   LYS  70          1HZ       LYS  70   9.666   4.597  -7.680
  518   2HZ   LYS  70          2HZ       LYS  70   8.842   4.017  -9.005
  519   3HZ   LYS  70          3HZ       LYS  70  10.516   4.115  -9.053
  520    H    ASN  71           H        ASN  71  10.025  -3.784  -8.475
  521    HA   ASN  71           HA       ASN  71   7.913  -4.303 -10.457
  522   1HB   ASN  71          2HB       ASN  71   9.125  -6.305 -11.026
  523   2HB   ASN  71          1HB       ASN  71  10.314  -5.022 -10.882
  524   1HD2  ASN  71          1HD2      ASN  71  11.793  -5.165  -9.331
  525   2HD2  ASN  71          2HD2      ASN  71  12.093  -6.535  -8.327
  526    H    GLU  72           H        GLU  72   6.533  -5.514 -10.627
  527    HA   GLU  72           HA       GLU  72   4.773  -5.882  -8.556
  528   1HB   GLU  72          2HB       GLU  72   4.365  -5.567 -10.881
  529   2HB   GLU  72          1HB       GLU  72   5.102  -7.105 -11.257
  530   1HG   GLU  72          2HG       GLU  72   2.899  -6.960 -11.470
  531   2HG   GLU  72          1HG       GLU  72   3.235  -8.270 -10.301
  532    H    GLU  73           H        GLU  73   7.375  -7.861  -9.638
  533    HA   GLU  73           HA       GLU  73   6.431 -10.340  -8.616
  534   1HB   GLU  73          2HB       GLU  73   9.280  -9.546  -9.230
  535   2HB   GLU  73          1HB       GLU  73   8.624 -11.177  -9.164
  536   1HG   GLU  73          2HG       GLU  73   7.182 -10.543 -11.161
  537   2HG   GLU  73          1HG       GLU  73   8.116  -9.027 -11.137
  538    H    ASP  74           H        ASP  74   8.538  -7.660  -7.429
  539    HA   ASP  74           HA       ASP  74   9.183  -9.081  -5.017
  540   1HB   ASP  74          2HB       ASP  74  10.857  -7.671  -6.169
  541   2HB   ASP  74          1HB       ASP  74   9.830  -6.267  -5.921
  542    H    VAL  75           H        VAL  75   6.989  -6.623  -6.139
  543    HA   VAL  75           HA       VAL  75   6.304  -5.450  -3.663
  544    HB   VAL  75           HB       VAL  75   4.513  -5.789  -6.111
  545   1HG1  VAL  75          1HG1      VAL  75   4.410  -3.783  -3.879
  546   2HG1  VAL  75          2HG1      VAL  75   3.225  -5.076  -4.167
  547   3HG1  VAL  75          3HG1      VAL  75   3.443  -3.756  -5.342
  548   1HG2  VAL  75          1HG2      VAL  75   6.367  -3.546  -5.384
  549   2HG2  VAL  75          2HG2      VAL  75   5.267  -3.594  -6.779
  550   3HG2  VAL  75          3HG2      VAL  75   6.605  -4.740  -6.661
  551    H    SER  76           H        SER  76   5.137  -6.166  -1.988
  552    HA   SER  76           HA       SER  76   3.224  -8.226  -1.990
  553   1HB   SER  76          2HB       SER  76   5.217  -9.522  -2.694
  554   2HB   SER  76          1HB       SER  76   6.062  -8.995  -1.256
  555    HG   SER  76           HG       SER  76   5.265 -10.986  -0.852
  556    HA   PRO  77           HA       PRO  77   3.105  -6.523   2.227
  557   1HB   PRO  77          2HB       PRO  77   1.431  -8.270   3.399
  558   2HB   PRO  77          1HB       PRO  77   0.874  -7.123   2.174
  559   1HG   PRO  77          2HG       PRO  77   1.552 -10.026   1.871
  560   2HG   PRO  77          1HG       PRO  77   0.165  -9.135   1.223
  561   1HD   PRO  77          2HD       PRO  77   2.380  -9.726  -0.247
  562   2HD   PRO  77          1HD       PRO  77   1.377  -8.290  -0.539
  563    H    SER  78           H        SER  78   4.376  -9.539   1.437
  564    HA   SER  78           HA       SER  78   5.114 -10.499   4.122
  565   1HB   SER  78          2HB       SER  78   4.642 -12.011   2.102
  566   2HB   SER  78          1HB       SER  78   6.117 -11.287   1.435
  567    HG   SER  78           HG       SER  78   6.902 -13.019   2.363
  568    H    LEU  79           H        LEU  79   6.994 -10.550   5.031
  569    HA   LEU  79           HA       LEU  79   8.870  -8.702   3.856
  570   1HB   LEU  79          2HB       LEU  79   8.294  -9.051   6.791
  571   2HB   LEU  79          1HB       LEU  79   9.560  -8.074   6.085
  572    HG   LEU  79           HG       LEU  79   6.609  -7.623   5.962
  573   1HD1  LEU  79          1HD1      LEU  79   8.842  -5.925   7.078
  574   2HD1  LEU  79          2HD1      LEU  79   7.655  -6.854   8.002
  575   3HD1  LEU  79          3HD1      LEU  79   7.135  -5.492   7.015
  576   1HD2  LEU  79          1HD2      LEU  79   7.496  -7.163   3.777
  577   2HD2  LEU  79          2HD2      LEU  79   8.768  -6.148   4.463
  578   3HD2  LEU  79          3HD2      LEU  79   7.076  -5.648   4.574
  579    H    GLU  80           H        GLU  80   9.810 -10.245   2.868
  580    HA   GLU  80           HA       GLU  80  11.434 -12.018   4.475
  581   1HB   GLU  80          2HB       GLU  80  10.988 -13.793   2.820
  582   2HB   GLU  80          1HB       GLU  80   9.550 -13.294   3.672
  583   1HG   GLU  80          2HG       GLU  80   8.788 -11.990   1.822
  584   2HG   GLU  80          1HG       GLU  80  10.270 -12.293   0.930
  585    H    GLY  81           H        GLY  81  13.497 -12.038   3.755
  586   1HA   GLY  81          2HA       GLY  81  15.246 -11.832   2.224
  587   2HA   GLY  81          1HA       GLY  81  14.112 -11.162   1.046
  588    H    LEU  82           H        LEU  82  14.054 -10.105   4.250
  589    HA   LEU  82           HA       LEU  82  15.263  -7.547   3.543
  590   1HB   LEU  82          2HB       LEU  82  12.845  -8.142   5.200
  591   2HB   LEU  82          1HB       LEU  82  13.618  -6.587   5.088
  592    HG   LEU  82           HG       LEU  82  12.208  -8.037   2.838
  593   1HD1  LEU  82          1HD1      LEU  82  10.592  -6.231   3.081
  594   2HD1  LEU  82          2HD1      LEU  82  11.544  -5.604   4.442
  595   3HD1  LEU  82          3HD1      LEU  82  10.744  -7.173   4.573
  596   1HD2  LEU  82          1HD2      LEU  82  12.516  -6.015   1.586
  597   2HD2  LEU  82          2HD2      LEU  82  14.105  -6.616   2.109
  598   3HD2  LEU  82          3HD2      LEU  82  13.324  -5.270   2.958
  599    H    THR  83           H        THR  83  16.848  -7.109   4.829
  600    HA   THR  83           HA       THR  83  17.160  -8.425   7.372
  601    HB   THR  83           HB       THR  83  19.280  -7.076   7.461
  602    HG1  THR  83           1HG      THR  83  18.619  -6.465   4.761
  603   1HG2  THR  83          1HG2      THR  83  19.234  -9.362   6.575
  604   2HG2  THR  83          2HG2      THR  83  20.391  -8.372   5.686
  605   3HG2  THR  83          3HG2      THR  83  18.816  -8.733   4.983
  606    H    GLU  84           H        GLU  84  18.102  -6.615   9.117
  607    HA   GLU  84           HA       GLU  84  15.819  -5.259   9.985
  608   1HB   GLU  84          2HB       GLU  84  17.724  -5.902  11.453
  609   2HB   GLU  84          1HB       GLU  84  18.681  -4.621  10.727
  610   1HG   GLU  84          2HG       GLU  84  17.036  -2.971  11.527
  611   2HG   GLU  84          1HG       GLU  84  16.153  -4.263  12.316
  612    H    LYS  85           H        LYS  85  18.681  -4.079   8.315
  613    HA   LYS  85           HA       LYS  85  18.192  -1.343   8.073
  614   1HB   LYS  85          2HB       LYS  85  20.228  -2.367   7.249
  615   2HB   LYS  85          1HB       LYS  85  19.315  -3.263   6.043
  616   1HG   LYS  85          2HG       LYS  85  18.570  -0.972   5.169
  617   2HG   LYS  85          1HG       LYS  85  19.877  -0.323   6.153
  618   1HD   LYS  85          2HD       LYS  85  20.142  -2.416   4.026
  619   2HD   LYS  85          1HD       LYS  85  20.538  -0.713   3.816
  620   1HE   LYS  85          2HE       LYS  85  22.243  -0.893   5.565
  621   2HE   LYS  85          1HE       LYS  85  21.860  -2.595   5.773
  622   1HZ   LYS  85          1HZ       LYS  85  23.790  -2.312   4.362
  623   2HZ   LYS  85          2HZ       LYS  85  22.892  -1.348   3.300
  624   3HZ   LYS  85          3HZ       LYS  85  22.516  -2.976   3.476
  625    H    GLU  86           H        GLU  86  17.159  -4.004   6.030
  626    HA   GLU  86           HA       GLU  86  15.990  -2.416   4.074
  627   1HB   GLU  86          2HB       GLU  86  15.922  -5.273   4.793
  628   2HB   GLU  86          1HB       GLU  86  15.099  -4.690   3.368
  629   1HG   GLU  86          2HG       GLU  86  17.265  -3.755   2.575
  630   2HG   GLU  86          1HG       GLU  86  18.040  -4.389   4.018
  631    H    ILE  87           H        ILE  87  14.734  -4.209   6.804
  632    HA   ILE  87           HA       ILE  87  12.090  -3.500   6.174
  633    HB   ILE  87           HB       ILE  87  13.251  -4.230   8.854
  634   1HG1  ILE  87          2HG1      ILE  87  11.810  -5.888   6.780
  635   2HG1  ILE  87          1HG1      ILE  87  13.499  -5.992   7.211
  636   1HG2  ILE  87          1HG2      ILE  87  10.480  -4.133   7.786
  637   2HG2  ILE  87          2HG2      ILE  87  11.196  -2.984   8.939
  638   3HG2  ILE  87          3HG2      ILE  87  10.898  -4.687   9.427
  639   1HD1  ILE  87          1HD1      ILE  87  12.929  -6.710   9.451
  640   2HD1  ILE  87          2HD1      ILE  87  12.141  -7.779   8.265
  641   3HD1  ILE  87          3HD1      ILE  87  11.226  -6.486   9.076
  642    H    ASN  88           H        ASN  88  14.594  -2.028   8.219
  643    HA   ASN  88           HA       ASN  88  13.208   0.077   9.385
  644   1HB   ASN  88          2HB       ASN  88  15.994   0.016   8.297
  645   2HB   ASN  88          1HB       ASN  88  15.293   1.421   9.085
  646   1HD2  ASN  88          1HD2      ASN  88  17.599  -0.210   9.852
  647   2HD2  ASN  88          2HD2      ASN  88  17.280  -0.830  11.412
  648    H    THR  89           H        THR  89  14.458  -0.222   6.215
  649    HA   THR  89           HA       THR  89  14.122   2.375   5.284
  650    HB   THR  89           HB       THR  89  14.006  -0.278   3.861
  651    HG1  THR  89           1HG      THR  89  15.974   0.252   5.053
  652   1HG2  THR  89          1HG2      THR  89  13.054   1.442   2.537
  653   2HG2  THR  89          2HG2      THR  89  14.651   1.012   1.886
  654   3HG2  THR  89          3HG2      THR  89  14.432   2.506   2.855
  655    H    LEU  90           H        LEU  90  11.935  -0.386   5.379
  656    HA   LEU  90           HA       LEU  90   9.826   0.900   3.930
  657   1HB   LEU  90          2HB       LEU  90   9.410  -1.183   3.613
  658   2HB   LEU  90          1HB       LEU  90  10.472  -1.750   4.842
  659    HG   LEU  90           HG       LEU  90   8.391  -0.957   6.339
  660   1HD1  LEU  90          1HD1      LEU  90   7.060  -0.106   4.630
  661   2HD1  LEU  90          2HD1      LEU  90   6.285  -1.533   5.331
  662   3HD1  LEU  90          3HD1      LEU  90   7.103  -1.645   3.771
  663   1HD2  LEU  90          1HD2      LEU  90   7.604  -3.263   6.347
  664   2HD2  LEU  90          2HD2      LEU  90   9.377  -3.130   6.420
  665   3HD2  LEU  90          3HD2      LEU  90   8.587  -3.580   4.911
  666    H    ASN  91           H        ASN  91  10.665   0.092   7.193
  667    HA   ASN  91           HA       ASN  91   8.465   1.015   8.600
  668   1HB   ASN  91          2HB       ASN  91  11.373   1.334   9.347
  669   2HB   ASN  91          1HB       ASN  91  10.016   1.495  10.427
  670   1HD2  ASN  91          1HD2      ASN  91   8.669  -0.947   9.147
  671   2HD2  ASN  91          2HD2      ASN  91   9.585  -2.248   9.802
  672    H    ASP  92           H        ASP  92  11.223   2.763   7.313
  673    HA   ASP  92           HA       ASP  92  10.538   5.360   8.161
  674   1HB   ASP  92          2HB       ASP  92  12.772   4.857   7.325
  675   2HB   ASP  92          1HB       ASP  92  12.115   4.387   5.766
  676    H    TRP  93           H        TRP  93   9.925   3.618   5.145
  677    HA   TRP  93           HA       TRP  93   8.249   5.479   3.869
  678   1HB   TRP  93          2HB       TRP  93   8.523   2.544   3.749
  679   2HB   TRP  93          1HB       TRP  93   7.254   3.290   2.827
  680    HD1  TRP  93           HD       TRP  93  10.745   2.197   2.517
  681    HE1  TRP  93           1HE      TRP  93  11.890   3.185   0.445
  682    HE3  TRP  93           3HE      TRP  93   7.368   5.889   1.460
  683    HZ2  TRP  93           2HZ      TRP  93  11.413   5.308  -1.396
  684    HZ3  TRP  93           3HZ      TRP  93   7.792   7.358  -0.467
  685    HH2  TRP  93           HH       TRP  93   9.770   7.071  -1.863
  686    H    GLU  94           H        GLU  94   7.261   2.955   6.090
  687    HA   GLU  94           HA       GLU  94   4.521   3.338   6.098
  688   1HB   GLU  94          2HB       GLU  94   6.337   2.880   8.483
  689   2HB   GLU  94          1HB       GLU  94   4.595   2.666   8.500
  690   1HG   GLU  94          2HG       GLU  94   4.744   0.875   6.949
  691   2HG   GLU  94          1HG       GLU  94   6.483   1.098   6.734
  692    H    THR  95           H        THR  95   6.930   4.986   7.888
  693    HA   THR  95           HA       THR  95   5.484   6.787   9.452
  694    HB   THR  95           HB       THR  95   8.262   7.030   8.314
  695    HG1  THR  95           1HG      THR  95   8.251   5.141   9.505
  696   1HG2  THR  95          1HG2      THR  95   7.546   9.118   9.304
  697   2HG2  THR  95          2HG2      THR  95   8.730   8.362  10.377
  698   3HG2  THR  95          3HG2      THR  95   7.008   8.295  10.766
  699    H    LYS  96           H        LYS  96   6.551   6.994   6.109
  700    HA   LYS  96           HA       LYS  96   6.294   9.859   5.943
  701   1HB   LYS  96          2HB       LYS  96   6.627   7.809   3.754
  702   2HB   LYS  96          1HB       LYS  96   6.897   9.546   3.614
  703   1HG   LYS  96          2HG       LYS  96   8.377   7.715   5.439
  704   2HG   LYS  96          1HG       LYS  96   9.041   8.215   3.914
  705   1HD   LYS  96          2HD       LYS  96   8.898  10.587   4.749
  706   2HD   LYS  96          1HD       LYS  96   8.335   9.948   6.292
  707   1HE   LYS  96          2HE       LYS  96  10.400   8.645   6.501
  708   2HE   LYS  96          1HE       LYS  96  10.959   9.317   4.977
  709   1HZ   LYS  96          1HZ       LYS  96  10.363  10.876   7.424
  710   2HZ   LYS  96          2HZ       LYS  96  10.960  11.512   5.967
  711   3HZ   LYS  96          3HZ       LYS  96  11.904  10.460   6.878
  712    H    PHE  97           H        PHE  97   4.626   7.026   4.858
  713    HA   PHE  97           HA       PHE  97   2.432   8.340   3.701
  714   1HB   PHE  97          2HB       PHE  97   2.927   5.585   4.734
  715   2HB   PHE  97          1HB       PHE  97   1.342   6.037   4.156
  716    HD1  PHE  97           1HD      PHE  97   4.877   5.563   3.202
  717    HD2  PHE  97           2HD      PHE  97   0.915   6.200   1.812
  718    HE1  PHE  97           1HE      PHE  97   5.598   5.012   0.919
  719    HE2  PHE  97           2HE      PHE  97   1.636   5.655  -0.478
  720    HZ   PHE  97           HZ       PHE  97   3.973   5.059  -0.923
  721    H    GLU  98           H        GLU  98   3.129   7.128   6.893
  722    HA   GLU  98           HA       GLU  98   0.762   7.469   8.260
  723   1HB   GLU  98          2HB       GLU  98   3.604   7.470   8.823
  724   2HB   GLU  98          1HB       GLU  98   2.727   8.078  10.162
  725   1HG   GLU  98          2HG       GLU  98   2.430   5.390   8.824
  726   2HG   GLU  98          1HG       GLU  98   3.185   5.748  10.373
  727    H    ALA  99           H        ALA  99   2.959   9.932   7.160
  728    HA   ALA  99           HA       ALA  99   1.477  11.933   8.717
  729   1HB   ALA  99          1HB       ALA  99   3.361  13.410   8.380
  730   2HB   ALA  99          2HB       ALA  99   4.134  12.203   7.353
  731   3HB   ALA  99          3HB       ALA  99   3.885  11.870   9.070
  732    H    LYS 100           H        LYS 100   1.913  10.806   5.459
  733    HA   LYS 100           HA       LYS 100   1.156  13.414   4.372
  734   1HB   LYS 100          2HB       LYS 100   2.641  11.079   3.336
  735   2HB   LYS 100          1HB       LYS 100   1.596  11.886   2.202
  736   1HG   LYS 100          2HG       LYS 100   3.920  12.611   1.982
  737   2HG   LYS 100          1HG       LYS 100   2.888  13.943   2.440
  738   1HD   LYS 100          2HD       LYS 100   4.583  12.424   4.425
  739   2HD   LYS 100          1HD       LYS 100   5.205  13.790   3.506
  740   1HE   LYS 100          2HE       LYS 100   3.334  15.161   4.460
  741   2HE   LYS 100          1HE       LYS 100   2.920  13.780   5.467
  742   1HZ   LYS 100          1HZ       LYS 100   5.173  13.910   6.439
  743   2HZ   LYS 100          2HZ       LYS 100   4.272  15.297   6.689
  744   3HZ   LYS 100          3HZ       LYS 100   5.471  15.288   5.513
  745    H    TYR 101           H        TYR 101   0.016  10.150   4.872
  746    HA   TYR 101           HA       TYR 101  -2.344  10.801   3.301
  747   1HB   TYR 101          2HB       TYR 101  -0.722   8.269   3.206
  748   2HB   TYR 101          1HB       TYR 101  -2.289   8.501   2.453
  749    HD1  TYR 101           1HD      TYR 101  -2.470  10.408   0.717
  750    HD2  TYR 101           2HD      TYR 101   1.234   8.810   2.044
  751    HE1  TYR 101           1HE      TYR 101  -1.374  11.328  -1.269
  752    HE2  TYR 101           2HE      TYR 101   2.347   9.730   0.056
  753    HH   TYR 101           HH       TYR 101   0.842  12.004  -1.965
  754    HA   PRO 102           HA       PRO 102  -4.390   9.079   6.824
  755   1HB   PRO 102          2HB       PRO 102  -6.867   9.020   5.918
  756   2HB   PRO 102          1HB       PRO 102  -6.028  10.569   6.101
  757   1HG   PRO 102          2HG       PRO 102  -6.461   8.922   3.647
  758   2HG   PRO 102          1HG       PRO 102  -6.678  10.666   3.858
  759   1HD   PRO 102          2HD       PRO 102  -4.407   9.556   2.762
  760   2HD   PRO 102          1HD       PRO 102  -4.443  11.095   3.652
  761    H    VAL 103           H        VAL 103  -4.581   7.091   7.529
  762    HA   VAL 103           HA       VAL 103  -4.809   4.788   5.797
  763    HB   VAL 103           HB       VAL 103  -5.097   4.863   8.848
  764   1HG1  VAL 103          1HG1      VAL 103  -6.168   2.871   7.876
  765   2HG1  VAL 103          2HG1      VAL 103  -4.692   2.439   8.757
  766   3HG1  VAL 103          3HG1      VAL 103  -4.674   2.511   7.005
  767   1HG2  VAL 103          1HG2      VAL 103  -2.842   5.522   8.103
  768   2HG2  VAL 103          2HG2      VAL 103  -2.750   4.014   7.169
  769   3HG2  VAL 103          3HG2      VAL 103  -2.840   3.950   8.912
  770    H    VAL 104           H        VAL 104  -6.599   4.525   4.779
  771    HA   VAL 104           HA       VAL 104  -9.119   5.344   6.011
  772    HB   VAL 104           HB       VAL 104 -10.147   4.995   3.749
  773   1HG1  VAL 104          1HG1      VAL 104  -7.744   6.824   3.863
  774   2HG1  VAL 104          2HG1      VAL 104  -9.357   7.196   4.468
  775   3HG1  VAL 104          3HG1      VAL 104  -9.095   6.976   2.739
  776   1HG2  VAL 104          1HG2      VAL 104  -8.557   3.322   2.912
  777   2HG2  VAL 104          2HG2      VAL 104  -7.284   4.551   2.917
  778   3HG2  VAL 104          3HG2      VAL 104  -8.665   4.717   1.836
  779    H    GLY 105           H        GLY 105  -7.426   2.600   6.026
  780   1HA   GLY 105          2HA       GLY 105  -9.142   1.020   7.293
  781   2HA   GLY 105          1HA       GLY 105  -9.630   0.779   5.620
  782    H    ARG 106           H        ARG 106  -9.017  -1.373   5.718
  783    HA   ARG 106           HA       ARG 106  -6.102  -1.693   5.487
  784   1HB   ARG 106          2HB       ARG 106  -5.964  -3.630   6.809
  785   2HB   ARG 106          1HB       ARG 106  -7.192  -2.751   7.701
  786   1HG   ARG 106          2HG       ARG 106  -7.826  -4.782   5.611
  787   2HG   ARG 106          1HG       ARG 106  -7.735  -5.216   7.291
  788   1HD   ARG 106          2HD       ARG 106  -9.467  -3.127   6.122
  789   2HD   ARG 106          1HD       ARG 106  -9.851  -4.849   6.373
  790    HE   ARG 106           HE       ARG 106  -8.998  -3.983   8.814
  791   1HH1  ARG 106          1HH1      ARG 106 -11.511  -2.588   6.745
  792   2HH1  ARG 106          2HH1      ARG 106 -12.473  -2.068   8.048
  793   1HH2  ARG 106          1HH2      ARG 106 -10.317  -3.214  10.587
  794   2HH2  ARG 106          2HH2      ARG 106 -11.786  -2.430  10.276
  795    H    VAL 107           H        VAL 107  -5.559  -3.534   4.224
  796    HA   VAL 107           HA       VAL 107  -7.710  -4.319   2.463
  797    HB   VAL 107           HB       VAL 107  -5.565  -3.587   1.370
  798   1HG1  VAL 107          1HG1      VAL 107  -4.143  -4.378   3.070
  799   2HG1  VAL 107          2HG1      VAL 107  -3.666  -5.113   1.491
  800   3HG1  VAL 107          3HG1      VAL 107  -4.611  -6.036   2.709
  801   1HG2  VAL 107          1HG2      VAL 107  -6.313  -6.434   1.088
  802   2HG2  VAL 107          2HG2      VAL 107  -5.461  -5.483  -0.166
  803   3HG2  VAL 107          3HG2      VAL 107  -7.135  -5.083   0.337
  804    H    VAL 108           H        VAL 108  -8.293  -6.412   2.333
  805    HA   VAL 108           HA       VAL 108  -7.348  -8.145   4.484
  806    HB   VAL 108           HB       VAL 108  -9.526  -6.857   4.568
  807   1HG1  VAL 108          1HG1      VAL 108 -11.533  -7.948   3.732
  808   2HG1  VAL 108          2HG1      VAL 108 -10.511  -8.890   2.628
  809   3HG1  VAL 108          3HG1      VAL 108 -10.529  -7.118   2.570
  810   1HG2  VAL 108          1HG2      VAL 108  -8.972  -8.380   6.207
  811   2HG2  VAL 108          2HG2      VAL 108  -9.538  -9.781   5.248
  812   3HG2  VAL 108          3HG2      VAL 108 -10.669  -8.507   5.811
  813    H    SER 109           H        SER 109  -7.195 -10.368   3.861
  814    HA   SER 109           HA       SER 109  -8.010 -10.964   1.165
  815   1HB   SER 109          2HB       SER 109  -5.623 -10.307   1.029
  816   2HB   SER 109          1HB       SER 109  -5.221 -11.494   2.264
  817    HG   SER 109           HG       SER 109  -6.242 -12.046  -0.351
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1 -17.110  -0.611  -7.157
    2   2H    MET   1          2HT       MET   1 -18.110  -1.924  -6.779
    3   3H    MET   1          3HT       MET   1 -17.324  -1.888  -8.245
    4    HA   MET   1           HA       MET   1 -16.316  -3.413  -6.675
    5   1HB   MET   1          2HB       MET   1 -14.619  -1.008  -7.363
    6   2HB   MET   1          1HB       MET   1 -13.974  -2.544  -6.801
    7   1HG   MET   1          2HG       MET   1 -15.546  -2.097  -9.323
    8   2HG   MET   1          1HG       MET   1 -13.805  -2.380  -9.207
    9   1HE   MET   1          1HE       MET   1 -15.166  -5.688 -10.806
   10   2HE   MET   1          2HE       MET   1 -14.056  -4.328 -10.991
   11   3HE   MET   1          3HE       MET   1 -15.796  -4.063 -11.077
   12    H    GLY   2           H        GLY   2 -17.805  -1.156  -5.117
   13   1HA   GLY   2          2HA       GLY   2 -16.030  -0.658  -2.947
   14   2HA   GLY   2          1HA       GLY   2 -17.739  -0.245  -3.051
   15    H    HIS   3           H        HIS   3 -16.998  -1.149  -0.715
   16    HA   HIS   3           HA       HIS   3 -17.969  -3.922  -0.724
   17   1HB   HIS   3          2HB       HIS   3 -15.814  -2.860   1.131
   18   2HB   HIS   3          1HB       HIS   3 -16.418  -4.512   1.058
   19    HD1  HIS   3           1HD      HIS   3 -13.913  -2.249  -0.383
   20    HD2  HIS   3           2HD      HIS   3 -15.619  -5.901  -1.407
   21    HE1  HIS   3           1HE      HIS   3 -12.415  -3.236  -2.134
   22    HE2  HIS   3           2HE      HIS   3 -13.752  -5.158  -3.001
   23    H    HIS   4           H        HIS   4 -17.399  -1.003   1.228
   24    HA   HIS   4           HA       HIS   4 -20.106  -1.235   2.292
   25   1HB   HIS   4          2HB       HIS   4 -17.615  -0.842   4.003
   26   2HB   HIS   4          1HB       HIS   4 -19.252  -0.559   4.579
   27    HD1  HIS   4           1HD      HIS   4 -16.701  -3.194   4.303
   28    HD2  HIS   4           2HD      HIS   4 -20.843  -3.009   4.612
   29    HE1  HIS   4           1HE      HIS   4 -17.427  -5.478   4.945
   30    HE2  HIS   4           2HE      HIS   4 -19.941  -5.390   4.949
   31    H    HIS   5           H        HIS   5 -20.970   0.556   1.475
   32    HA   HIS   5           HA       HIS   5 -19.307   2.712   0.651
   33   1HB   HIS   5          2HB       HIS   5 -21.294   3.804  -0.241
   34   2HB   HIS   5          1HB       HIS   5 -21.254   2.128  -0.700
   35    HD1  HIS   5           1HD      HIS   5 -23.312   0.795  -0.248
   36    HD2  HIS   5           2HD      HIS   5 -23.295   4.385   1.836
   37    HE1  HIS   5           1HE      HIS   5 -25.596   0.997   0.750
   38    HE2  HIS   5           2HE      HIS   5 -25.406   2.965   2.283
   39    H    HIS   6           H        HIS   6 -18.917   4.613   1.375
   40    HA   HIS   6           HA       HIS   6 -18.643   6.336   2.672
   41   1HB   HIS   6          2HB       HIS   6 -21.028   6.816   2.265
   42   2HB   HIS   6          1HB       HIS   6 -21.462   5.846   3.663
   43    HD1  HIS   6           1HD      HIS   6 -21.823   7.165   5.730
   44    HD2  HIS   6           2HD      HIS   6 -19.324   9.143   3.077
   45    HE1  HIS   6           1HE      HIS   6 -21.361   9.383   6.782
   46    HE2  HIS   6           2HE      HIS   6 -20.143  10.656   4.991
   47    H    HIS   7           H        HIS   7 -17.161   4.652   3.506
   48    HA   HIS   7           HA       HIS   7 -17.167   4.941   6.399
   49   1HB   HIS   7          2HB       HIS   7 -16.625   2.315   4.958
   50   2HB   HIS   7          1HB       HIS   7 -16.239   2.619   6.637
   51    HD1  HIS   7           1HD      HIS   7 -18.066   2.057   8.315
   52    HD2  HIS   7           2HD      HIS   7 -19.453   2.203   4.404
   53    HE1  HIS   7           1HE      HIS   7 -20.375   1.153   8.389
   54    HE2  HIS   7           2HE      HIS   7 -21.278   1.608   6.119
   55    H    HIS   8           H        HIS   8 -15.045   5.157   7.136
   56    HA   HIS   8           HA       HIS   8 -13.080   5.633   5.068
   57   1HB   HIS   8          2HB       HIS   8 -12.803   5.706   8.097
   58   2HB   HIS   8          1HB       HIS   8 -11.519   6.117   6.975
   59    HD1  HIS   8           1HD      HIS   8 -14.185   7.574   8.874
   60    HD2  HIS   8           2HD      HIS   8 -12.265   8.433   5.302
   61    HE1  HIS   8           1HE      HIS   8 -14.737   9.969   8.368
   62    HE2  HIS   8           2HE      HIS   8 -13.248  10.522   6.443
   63    H    LEU   9           H        LEU   9 -13.505   3.539   7.852
   64    HA   LEU   9           HA       LEU   9 -11.454   1.810   6.932
   65   1HB   LEU   9          2HB       LEU   9 -11.764   2.156   9.352
   66   2HB   LEU   9          1HB       LEU   9 -13.388   1.533   9.223
   67    HG   LEU   9           HG       LEU   9 -11.679  -0.025  10.298
   68   1HD1  LEU   9          1HD1      LEU   9 -12.464  -2.057   9.205
   69   2HD1  LEU   9          2HD1      LEU   9 -13.085  -1.098   7.862
   70   3HD1  LEU   9          3HD1      LEU   9 -13.785  -0.916   9.470
   71   1HD2  LEU   9          1HD2      LEU   9 -10.740  -0.321   7.462
   72   2HD2  LEU   9          2HD2      LEU   9 -10.208  -1.293   8.830
   73   3HD2  LEU   9          3HD2      LEU   9  -9.816   0.433   8.764
   74    H    GLU  10           H        GLU  10 -11.821   0.736   5.278
   75    HA   GLU  10           HA       GLU  10 -14.117  -1.013   5.270
   76   1HB   GLU  10          2HB       GLU  10 -14.469   0.724   3.550
   77   2HB   GLU  10          1HB       GLU  10 -12.890   0.358   2.862
   78   1HG   GLU  10          2HG       GLU  10 -13.602  -1.891   2.421
   79   2HG   GLU  10          1HG       GLU  10 -15.204  -1.539   3.050
   80    H    GLU  11           H        GLU  11 -13.492  -3.151   4.929
   81    HA   GLU  11           HA       GLU  11 -10.756  -3.581   4.798
   82   1HB   GLU  11          2HB       GLU  11 -12.043  -4.891   6.273
   83   2HB   GLU  11          1HB       GLU  11 -13.117  -5.384   4.971
   84   1HG   GLU  11          2HG       GLU  11 -11.426  -6.525   3.884
   85   2HG   GLU  11          1HG       GLU  11 -10.176  -6.001   4.948
   86    H    PHE  12           H        PHE  12  -9.783  -3.556   3.067
   87    HA   PHE  12           HA       PHE  12 -10.959  -4.371   0.551
   88   1HB   PHE  12          2HB       PHE  12  -8.518  -3.072   1.518
   89   2HB   PHE  12          1HB       PHE  12  -8.655  -3.787  -0.075
   90    HD1  PHE  12           1HD      PHE  12 -10.160  -2.590  -1.733
   91    HD2  PHE  12           2HD      PHE  12  -9.580  -1.050   2.190
   92    HE1  PHE  12           1HE      PHE  12 -11.147  -0.443  -2.432
   93    HE2  PHE  12           2HE      PHE  12 -10.567   1.092   1.502
   94    HZ   PHE  12           HZ       PHE  12 -11.351   1.398  -0.811
   95    H    THR  13           H        THR  13 -10.433  -6.334  -0.241
   96    HA   THR  13           HA       THR  13  -8.247  -7.693   1.097
   97    HB   THR  13           HB       THR  13 -10.026  -8.745  -1.117
   98    HG1  THR  13           1HG      THR  13 -10.875  -8.028   1.171
   99   1HG2  THR  13          1HG2      THR  13  -7.988  -9.928  -0.759
  100   2HG2  THR  13          2HG2      THR  13  -9.346 -10.917  -0.146
  101   3HG2  THR  13          3HG2      THR  13  -8.299 -10.002   0.970
  102    H    ALA  14           H        ALA  14  -6.401  -8.371  -0.171
  103    HA   ALA  14           HA       ALA  14  -5.433  -6.260  -1.706
  104   1HB   ALA  14          1HB       ALA  14  -3.988  -7.778  -0.455
  105   2HB   ALA  14          2HB       ALA  14  -3.437  -7.493  -2.106
  106   3HB   ALA  14          3HB       ALA  14  -4.223  -9.017  -1.694
  107    H    GLU  15           H        GLU  15  -6.657  -9.347  -2.930
  108    HA   GLU  15           HA       GLU  15  -6.092  -8.837  -5.642
  109   1HB   GLU  15          2HB       GLU  15  -8.387 -10.411  -4.465
  110   2HB   GLU  15          1HB       GLU  15  -7.930 -10.439  -6.161
  111   1HG   GLU  15          2HG       GLU  15  -6.250 -11.366  -3.842
  112   2HG   GLU  15          1HG       GLU  15  -7.075 -12.386  -5.018
  113    H    GLN  16           H        GLN  16  -8.698  -7.826  -3.620
  114    HA   GLN  16           HA       GLN  16 -10.254  -6.631  -5.698
  115   1HB   GLN  16          2HB       GLN  16 -10.404  -6.566  -2.692
  116   2HB   GLN  16          1HB       GLN  16 -11.446  -5.542  -3.649
  117   1HG   GLN  16          2HG       GLN  16 -12.640  -7.529  -2.980
  118   2HG   GLN  16          1HG       GLN  16 -12.391  -7.554  -4.714
  119   1HE2  GLN  16          1HE2      GLN  16 -11.677  -9.070  -1.699
  120   2HE2  GLN  16          2HE2      GLN  16 -10.939 -10.476  -2.352
  121    H    LEU  17           H        LEU  17  -7.863  -5.556  -3.399
  122    HA   LEU  17           HA       LEU  17  -8.150  -2.759  -3.749
  123   1HB   LEU  17          2HB       LEU  17  -7.023  -3.751  -1.813
  124   2HB   LEU  17          1HB       LEU  17  -5.743  -4.338  -2.858
  125    HG   LEU  17           HG       LEU  17  -5.263  -1.936  -3.451
  126   1HD1  LEU  17          1HD1      LEU  17  -7.060  -1.412  -1.135
  127   2HD1  LEU  17          2HD1      LEU  17  -7.332  -0.932  -2.820
  128   3HD1  LEU  17          3HD1      LEU  17  -5.995  -0.230  -1.892
  129   1HD2  LEU  17          1HD2      LEU  17  -3.861  -3.153  -1.926
  130   2HD2  LEU  17          2HD2      LEU  17  -4.931  -2.727  -0.574
  131   3HD2  LEU  17          3HD2      LEU  17  -4.030  -1.463  -1.429
  132    H    SER  18           H        SER  18  -6.498  -5.209  -5.550
  133    HA   SER  18           HA       SER  18  -4.473  -3.662  -6.754
  134   1HB   SER  18          2HB       SER  18  -5.739  -6.237  -7.700
  135   2HB   SER  18          1HB       SER  18  -4.224  -5.565  -8.309
  136    HG   SER  18           HG       SER  18  -4.670  -6.166  -5.560
  137    H    GLN  19           H        GLN  19  -7.521  -2.988  -7.111
  138    HA   GLN  19           HA       GLN  19  -7.419  -2.368  -9.999
  139   1HB   GLN  19          2HB       GLN  19  -9.754  -2.267  -8.083
  140   2HB   GLN  19          1HB       GLN  19  -9.827  -1.931  -9.806
  141   1HG   GLN  19          2HG       GLN  19  -9.172  -4.224 -10.278
  142   2HG   GLN  19          1HG       GLN  19  -9.101  -4.564  -8.552
  143   1HE2  GLN  19          1HE2      GLN  19 -11.015  -4.672  -7.386
  144   2HE2  GLN  19          2HE2      GLN  19 -12.539  -4.888  -8.168
  145    H    TYR  20           H        TYR  20  -7.222  -1.104  -6.845
  146    HA   TYR  20           HA       TYR  20  -8.012   1.583  -7.521
  147   1HB   TYR  20          2HB       TYR  20  -7.215   0.240  -4.944
  148   2HB   TYR  20          1HB       TYR  20  -7.570   1.963  -5.061
  149    HD1  TYR  20           1HD      TYR  20  -9.005  -1.422  -5.197
  150    HD2  TYR  20           2HD      TYR  20  -9.818   2.744  -5.452
  151    HE1  TYR  20           1HE      TYR  20 -11.421  -1.877  -5.015
  152    HE2  TYR  20           2HE      TYR  20 -12.211   2.301  -5.266
  153    HH   TYR  20           HH       TYR  20 -13.497  -0.699  -4.365
  154    H    ASN  21           H        ASN  21  -5.573   0.232  -8.551
  155    HA   ASN  21           HA       ASN  21  -3.438   1.865  -7.501
  156   1HB   ASN  21          2HB       ASN  21  -2.025   0.921  -9.296
  157   2HB   ASN  21          1HB       ASN  21  -2.865  -0.355  -8.429
  158   1HD2  ASN  21          1HD2      ASN  21  -4.362  -1.642  -9.537
  159   2HD2  ASN  21          2HD2      ASN  21  -4.588  -1.474 -11.227
  160    H    GLY  22           H        GLY  22  -5.935   2.220  -9.730
  161   1HA   GLY  22          2HA       GLY  22  -6.585   4.394 -10.324
  162   2HA   GLY  22          1HA       GLY  22  -4.888   4.892 -10.365
  163    H    THR  23           H        THR  23  -4.908   2.055 -11.839
  164    HA   THR  23           HA       THR  23  -4.992   3.333 -14.416
  165    HB   THR  23           HB       THR  23  -4.279   0.534 -13.624
  166    HG1  THR  23           1HG      THR  23  -2.729   1.653 -12.783
  167   1HG2  THR  23          1HG2      THR  23  -3.141   0.440 -15.813
  168   2HG2  THR  23          2HG2      THR  23  -3.764   2.057 -16.174
  169   3HG2  THR  23          3HG2      THR  23  -4.883   0.699 -15.966
  170    H    ASP  24           H        ASP  24  -6.730   0.716 -12.702
  171    HA   ASP  24           HA       ASP  24  -8.306  -0.185 -14.901
  172   1HB   ASP  24          2HB       ASP  24  -7.926  -1.257 -12.451
  173   2HB   ASP  24          1HB       ASP  24  -9.257  -0.242 -12.084
  174    H    GLU  25           H        GLU  25  -9.380   1.574 -15.931
  175    HA   GLU  25           HA       GLU  25 -11.028   3.104 -16.328
  176   1HB   GLU  25          2HB       GLU  25 -12.276   2.051 -13.769
  177   2HB   GLU  25          1HB       GLU  25 -13.086   3.038 -14.974
  178   1HG   GLU  25          2HG       GLU  25 -12.820   1.221 -16.608
  179   2HG   GLU  25          1HG       GLU  25 -12.045   0.248 -15.358
  180    H    SER  26           H        SER  26  -8.791   3.509 -14.315
  181    HA   SER  26           HA       SER  26  -7.922   5.038 -12.953
  182   1HB   SER  26          2HB       SER  26  -8.338   6.463 -14.930
  183   2HB   SER  26          1HB       SER  26  -9.929   6.863 -14.305
  184    HG   SER  26           HG       SER  26  -7.394   7.669 -13.516
  185    H    LYS  27           H        LYS  27  -9.170   3.559 -11.390
  186    HA   LYS  27           HA       LYS  27 -11.400   4.706  -9.967
  187   1HB   LYS  27          2HB       LYS  27  -9.572   2.489  -8.975
  188   2HB   LYS  27          1HB       LYS  27 -11.202   2.829  -8.431
  189   1HG   LYS  27          2HG       LYS  27 -11.824   2.272 -10.960
  190   2HG   LYS  27          1HG       LYS  27 -10.237   1.621 -10.930
  191   1HD   LYS  27          2HD       LYS  27 -10.735   0.097  -9.179
  192   2HD   LYS  27          1HD       LYS  27 -12.359   0.775  -9.003
  193   1HE   LYS  27          2HE       LYS  27 -11.235  -0.611 -11.426
  194   2HE   LYS  27          1HE       LYS  27 -12.479  -1.238 -10.344
  195   1HZ   LYS  27          1HZ       LYS  27 -12.712   1.158 -12.079
  196   2HZ   LYS  27          2HZ       LYS  27 -13.929   0.628 -11.079
  197   3HZ   LYS  27          3HZ       LYS  27 -13.454  -0.299 -12.401
  198    HA   PRO  28           HA       PRO  28  -9.338   7.105  -6.710
  199   1HB   PRO  28          2HB       PRO  28 -10.422   5.150  -4.732
  200   2HB   PRO  28          1HB       PRO  28 -10.519   6.916  -4.713
  201   1HG   PRO  28          2HG       PRO  28 -12.649   5.502  -5.364
  202   2HG   PRO  28          1HG       PRO  28 -12.241   6.963  -6.283
  203   1HD   PRO  28          2HD       PRO  28 -11.851   4.097  -7.005
  204   2HD   PRO  28          1HD       PRO  28 -12.355   5.453  -8.038
  205    H    ILE  29           H        ILE  29  -7.488   6.937  -5.300
  206    HA   ILE  29           HA       ILE  29  -6.064   4.463  -5.926
  207    HB   ILE  29           HB       ILE  29  -4.776   7.184  -5.428
  208   1HG1  ILE  29          2HG1      ILE  29  -4.256   7.142  -7.897
  209   2HG1  ILE  29          1HG1      ILE  29  -5.454   5.865  -8.081
  210   1HG2  ILE  29          1HG2      ILE  29  -3.356   5.240  -5.023
  211   2HG2  ILE  29          2HG2      ILE  29  -2.820   6.142  -6.444
  212   3HG2  ILE  29          3HG2      ILE  29  -3.731   4.644  -6.635
  213   1HD1  ILE  29          1HD1      ILE  29  -5.877   8.718  -7.228
  214   2HD1  ILE  29          2HD1      ILE  29  -7.145   7.489  -7.251
  215   3HD1  ILE  29          3HD1      ILE  29  -6.355   7.975  -8.755
  216    H    TYR  30           H        TYR  30  -5.343   3.235  -4.290
  217    HA   TYR  30           HA       TYR  30  -5.148   4.386  -1.585
  218   1HB   TYR  30          2HB       TYR  30  -6.679   1.903  -2.355
  219   2HB   TYR  30          1HB       TYR  30  -6.271   2.319  -0.704
  220    HD1  TYR  30           1HD      TYR  30  -8.666   2.656  -3.311
  221    HD2  TYR  30           2HD      TYR  30  -7.172   4.571   0.177
  222    HE1  TYR  30           1HE      TYR  30 -10.748   3.952  -3.132
  223    HE2  TYR  30           2HE      TYR  30  -9.244   5.869   0.359
  224    HH   TYR  30           HH       TYR  30 -11.003   6.639  -1.108
  225    H    VAL  31           H        VAL  31  -3.381   3.790  -0.527
  226    HA   VAL  31           HA       VAL  31  -1.701   1.614  -1.653
  227    HB   VAL  31           HB       VAL  31  -0.850   4.111  -0.130
  228   1HG1  VAL  31          1HG1      VAL  31   1.436   3.447  -0.640
  229   2HG1  VAL  31          2HG1      VAL  31   0.854   1.962  -1.389
  230   3HG1  VAL  31          3HG1      VAL  31   0.648   2.213   0.353
  231   1HG2  VAL  31          1HG2      VAL  31  -1.566   4.521  -2.374
  232   2HG2  VAL  31          2HG2      VAL  31  -0.440   3.261  -2.932
  233   3HG2  VAL  31          3HG2      VAL  31   0.193   4.752  -2.200
  234    H    ALA  32           H        ALA  32  -0.864   0.101  -0.234
  235    HA   ALA  32           HA       ALA  32  -1.775   0.415   2.517
  236   1HB   ALA  32          1HB       ALA  32  -2.204  -1.932   2.634
  237   2HB   ALA  32          2HB       ALA  32  -1.654  -2.150   0.975
  238   3HB   ALA  32          3HB       ALA  32  -3.108  -1.222   1.301
  239    H    ILE  33           H        ILE  33  -0.450   0.049   4.065
  240    HA   ILE  33           HA       ILE  33   2.166  -1.233   3.607
  241    HB   ILE  33           HB       ILE  33   1.648   1.270   5.263
  242   1HG1  ILE  33          2HG1      ILE  33   3.125   0.977   2.653
  243   2HG1  ILE  33          1HG1      ILE  33   1.584   1.786   2.865
  244   1HG2  ILE  33          1HG2      ILE  33   4.072   1.407   5.481
  245   2HG2  ILE  33          2HG2      ILE  33   4.248  -0.161   4.707
  246   3HG2  ILE  33          3HG2      ILE  33   3.402  -0.018   6.268
  247   1HD1  ILE  33          1HD1      ILE  33   3.371   3.394   2.696
  248   2HD1  ILE  33          2HD1      ILE  33   4.219   2.618   4.033
  249   3HD1  ILE  33          3HD1      ILE  33   2.685   3.439   4.323
  250    H    LYS  34           H        LYS  34   2.114  -2.995   4.897
  251    HA   LYS  34           HA       LYS  34   1.606  -4.455   6.550
  252   1HB   LYS  34          2HB       LYS  34   1.829  -1.898   8.055
  253   2HB   LYS  34          1HB       LYS  34   1.199  -3.306   8.917
  254   1HG   LYS  34          2HG       LYS  34   3.845  -3.122   7.494
  255   2HG   LYS  34          1HG       LYS  34   3.610  -2.915   9.231
  256   1HD   LYS  34          2HD       LYS  34   2.662  -5.212   9.335
  257   2HD   LYS  34          1HD       LYS  34   3.032  -5.415   7.625
  258   1HE   LYS  34          2HE       LYS  34   5.402  -5.068   8.096
  259   2HE   LYS  34          1HE       LYS  34   5.031  -4.850   9.805
  260   1HZ   LYS  34          1HZ       LYS  34   4.566  -7.344   8.244
  261   2HZ   LYS  34          2HZ       LYS  34   4.229  -7.120   9.885
  262   3HZ   LYS  34          3HZ       LYS  34   5.818  -7.065   9.352
  263    H    GLY  35           H        GLY  35  -0.524  -3.316   4.940
  264   1HA   GLY  35          2HA       GLY  35  -2.724  -4.027   4.861
  265   2HA   GLY  35          1HA       GLY  35  -2.726  -4.266   6.577
  266    H    ARG  36           H        ARG  36  -1.343  -1.331   6.217
  267    HA   ARG  36           HA       ARG  36  -3.832   0.001   6.891
  268   1HB   ARG  36          2HB       ARG  36  -0.997   1.056   6.832
  269   2HB   ARG  36          1HB       ARG  36  -2.386   1.946   7.427
  270   1HG   ARG  36          2HG       ARG  36  -2.704   0.272   9.177
  271   2HG   ARG  36          1HG       ARG  36  -1.319  -0.613   8.549
  272   1HD   ARG  36          2HD       ARG  36  -0.636   0.666  10.476
  273   2HD   ARG  36          1HD       ARG  36   0.114   1.318   9.031
  274    HE   ARG  36           HE       ARG  36  -1.325   3.174   9.135
  275   1HH1  ARG  36          1HH1      ARG  36  -1.741   1.004  11.887
  276   2HH1  ARG  36          2HH1      ARG  36  -2.211   2.184  12.993
  277   1HH2  ARG  36          1HH2      ARG  36  -1.995   4.905  10.673
  278   2HH2  ARG  36          2HH2      ARG  36  -2.379   4.491  12.255
  279    H    VAL  37           H        VAL  37  -5.040   0.615   5.271
  280    HA   VAL  37           HA       VAL  37  -3.808   1.398   2.782
  281    HB   VAL  37           HB       VAL  37  -6.697   0.838   3.518
  282   1HG1  VAL  37          1HG1      VAL  37  -7.217   1.289   1.150
  283   2HG1  VAL  37          2HG1      VAL  37  -5.539   1.835   0.941
  284   3HG1  VAL  37          3HG1      VAL  37  -6.638   2.748   1.971
  285   1HG2  VAL  37          1HG2      VAL  37  -5.196  -1.060   3.086
  286   2HG2  VAL  37          2HG2      VAL  37  -4.821  -0.329   1.512
  287   3HG2  VAL  37          3HG2      VAL  37  -6.452  -0.895   1.846
  288    H    PHE  38           H        PHE  38  -3.265   3.308   2.413
  289    HA   PHE  38           HA       PHE  38  -4.531   5.572   3.809
  290   1HB   PHE  38          2HB       PHE  38  -2.000   5.480   2.195
  291   2HB   PHE  38          1HB       PHE  38  -2.550   6.820   3.188
  292    HD1  PHE  38           1HD      PHE  38  -2.632   6.479   5.690
  293    HD2  PHE  38           2HD      PHE  38  -0.681   3.783   3.057
  294    HE1  PHE  38           1HE      PHE  38  -1.346   5.566   7.574
  295    HE2  PHE  38           2HE      PHE  38   0.599   2.868   4.923
  296    HZ   PHE  38           HZ       PHE  38   0.276   3.747   7.188
  297    H    ASP  39           H        ASP  39  -5.398   7.213   2.600
  298    HA   ASP  39           HA       ASP  39  -5.982   6.580  -0.175
  299   1HB   ASP  39          2HB       ASP  39  -7.802   7.490   1.213
  300   2HB   ASP  39          1HB       ASP  39  -6.863   8.955   1.490
  301    H    VAL  40           H        VAL  40  -4.780   7.232  -1.770
  302    HA   VAL  40           HA       VAL  40  -3.182   9.682  -1.439
  303    HB   VAL  40           HB       VAL  40  -1.606   8.678  -3.160
  304   1HG1  VAL  40          1HG1      VAL  40  -1.835   7.183  -0.537
  305   2HG1  VAL  40          2HG1      VAL  40  -1.010   8.734  -0.810
  306   3HG1  VAL  40          3HG1      VAL  40  -0.422   7.273  -1.602
  307   1HG2  VAL  40          1HG2      VAL  40  -1.585   6.265  -3.383
  308   2HG2  VAL  40          2HG2      VAL  40  -3.079   6.974  -4.015
  309   3HG2  VAL  40          3HG2      VAL  40  -3.075   6.160  -2.446
  310    H    THR  41           H        THR  41  -5.898   9.229  -2.468
  311    HA   THR  41           HA       THR  41  -5.907   9.293  -5.258
  312    HB   THR  41           HB       THR  41  -8.030  10.359  -3.351
  313    HG1  THR  41           1HG      THR  41  -7.969   8.234  -2.886
  314   1HG2  THR  41          1HG2      THR  41  -9.585   9.936  -5.222
  315   2HG2  THR  41          2HG2      THR  41  -8.217   9.445  -6.230
  316   3HG2  THR  41          3HG2      THR  41  -8.349  11.114  -5.683
  317    H    THR  42           H        THR  42  -5.304  11.861  -2.918
  318    HA   THR  42           HA       THR  42  -5.775  13.982  -4.778
  319    HB   THR  42           HB       THR  42  -4.610  15.411  -3.091
  320    HG1  THR  42           1HG      THR  42  -4.583  13.497  -1.136
  321   1HG2  THR  42          1HG2      THR  42  -6.309  15.169  -1.326
  322   2HG2  THR  42          2HG2      THR  42  -6.731  13.574  -1.954
  323   3HG2  THR  42          3HG2      THR  42  -7.030  15.012  -2.929
  324    H    GLY  43           H        GLY  43  -3.201  11.844  -4.129
  325   1HA   GLY  43          2HA       GLY  43  -1.312  13.515  -5.646
  326   2HA   GLY  43          1HA       GLY  43  -0.862  12.214  -4.548
  327    H    LYS  44           H        LYS  44  -3.399  12.203  -7.031
  328    HA   LYS  44           HA       LYS  44  -2.977   9.681  -7.906
  329   1HB   LYS  44          2HB       LYS  44  -4.927  11.114  -8.214
  330   2HB   LYS  44          1HB       LYS  44  -4.037  12.049  -9.405
  331   1HG   LYS  44          2HG       LYS  44  -3.792  10.030 -10.760
  332   2HG   LYS  44          1HG       LYS  44  -4.771   9.155  -9.583
  333   1HD   LYS  44          2HD       LYS  44  -5.627  11.486 -11.289
  334   2HD   LYS  44          1HD       LYS  44  -6.070   9.773 -11.369
  335   1HE   LYS  44          2HE       LYS  44  -7.199   9.923  -9.213
  336   2HE   LYS  44          1HE       LYS  44  -6.721  11.611  -9.068
  337   1HZ   LYS  44          1HZ       LYS  44  -9.002  11.392  -9.821
  338   2HZ   LYS  44          2HZ       LYS  44  -8.512  10.526 -11.171
  339   3HZ   LYS  44          3HZ       LYS  44  -8.055  12.135 -10.991
  340    H    SER  45           H        SER  45  -1.527  12.719  -9.052
  341    HA   SER  45           HA       SER  45  -0.382  11.666 -11.384
  342   1HB   SER  45          2HB       SER  45   0.407  14.044  -9.727
  343   2HB   SER  45          1HB       SER  45   0.950  13.735 -11.375
  344    HG   SER  45           HG       SER  45  -0.748  14.958 -11.711
  345    H    PHE  46           H        PHE  46   0.513  11.238  -8.117
  346    HA   PHE  46           HA       PHE  46   3.257  10.480  -8.809
  347   1HB   PHE  46          2HB       PHE  46   1.869  10.651  -6.129
  348   2HB   PHE  46          1HB       PHE  46   3.524  10.129  -6.357
  349    HD1  PHE  46           1HD      PHE  46   1.227  12.962  -6.311
  350    HD2  PHE  46           2HD      PHE  46   5.256  11.729  -6.887
  351    HE1  PHE  46           1HE      PHE  46   1.978  15.291  -6.064
  352    HE2  PHE  46           2HE      PHE  46   6.009  14.045  -6.644
  353    HZ   PHE  46           HZ       PHE  46   4.376  15.828  -6.228
  354    H    TYR  47           H        TYR  47   0.216   9.184  -7.535
  355    HA   TYR  47           HA       TYR  47   1.418   6.548  -7.515
  356   1HB   TYR  47          2HB       TYR  47  -1.166   7.527  -6.311
  357   2HB   TYR  47          1HB       TYR  47  -0.502   5.904  -6.136
  358    HD1  TYR  47           1HD      TYR  47   1.344   5.485  -4.640
  359    HD2  TYR  47           2HD      TYR  47  -0.086   9.435  -5.231
  360    HE1  TYR  47           1HE      TYR  47   2.672   6.256  -2.721
  361    HE2  TYR  47           2HE      TYR  47   1.224  10.218  -3.325
  362    HH   TYR  47           HH       TYR  47   3.634   8.310  -1.863
  363    H    GLY  48           H        GLY  48  -1.838   7.778  -8.398
  364   1HA   GLY  48          2HA       GLY  48  -2.411   5.339  -9.768
  365   2HA   GLY  48          1HA       GLY  48  -3.440   6.739  -9.662
  366    H    SER  49           H        SER  49  -1.004   8.264 -10.947
  367    HA   SER  49           HA       SER  49  -1.596   7.235 -13.602
  368   1HB   SER  49          2HB       SER  49  -1.775  10.130 -12.794
  369   2HB   SER  49          1HB       SER  49  -1.961   9.505 -14.434
  370    HG   SER  49           HG       SER  49  -3.573   8.068 -13.070
  371    H    GLY  50           H        GLY  50   0.352   6.355 -13.730
  372   1HA   GLY  50          2HA       GLY  50   2.539   6.229 -14.475
  373   2HA   GLY  50          1HA       GLY  50   2.198   7.771 -15.228
  374    H    GLY  51           H        GLY  51   2.414   6.996 -11.806
  375   1HA   GLY  51          2HA       GLY  51   4.469   9.047 -11.614
  376   2HA   GLY  51          1HA       GLY  51   3.523   8.413 -10.279
  377    H    ASP  52           H        ASP  52   6.122   8.461  -9.756
  378    HA   ASP  52           HA       ASP  52   7.411   5.977 -10.477
  379   1HB   ASP  52          2HB       ASP  52   8.802   7.914  -9.853
  380   2HB   ASP  52          1HB       ASP  52   8.079   7.930  -8.248
  381    H    TYR  53           H        TYR  53   5.258   7.075  -8.127
  382    HA   TYR  53           HA       TYR  53   5.583   4.810  -6.352
  383   1HB   TYR  53          2HB       TYR  53   3.689   7.162  -6.272
  384   2HB   TYR  53          1HB       TYR  53   3.854   5.949  -5.017
  385    HD1  TYR  53           1HD      TYR  53   5.501   8.812  -6.673
  386    HD2  TYR  53           2HD      TYR  53   5.634   6.071  -3.424
  387    HE1  TYR  53           1HE      TYR  53   7.198  10.212  -5.569
  388    HE2  TYR  53           2HE      TYR  53   7.334   7.459  -2.314
  389    HH   TYR  53           HH       TYR  53   8.011  10.622  -3.327
  390    H    SER  54           H        SER  54   4.392   4.880  -9.242
  391    HA   SER  54           HA       SER  54   1.614   4.471  -9.066
  392   1HB   SER  54          2HB       SER  54   2.789   5.192 -11.129
  393   2HB   SER  54          1HB       SER  54   3.486   3.582 -11.272
  394    HG   SER  54           HG       SER  54   0.738   3.714 -10.998
  395    H    MET  55           H        MET  55   4.200   2.366  -8.388
  396    HA   MET  55           HA       MET  55   2.732  -0.096  -8.934
  397   1HB   MET  55          2HB       MET  55   5.307   0.193  -7.402
  398   2HB   MET  55          1HB       MET  55   4.686  -1.246  -8.193
  399   1HG   MET  55          2HG       MET  55   5.713   1.244  -9.472
  400   2HG   MET  55          1HG       MET  55   6.467  -0.342  -9.479
  401   1HE   MET  55          1HE       MET  55   6.082   1.342 -12.096
  402   2HE   MET  55          2HE       MET  55   5.518   0.096 -13.208
  403   3HE   MET  55          3HE       MET  55   6.796  -0.268 -12.051
  404    H    PHE  56           H        PHE  56   3.110   2.130  -6.454
  405    HA   PHE  56           HA       PHE  56   2.500   0.277  -4.280
  406   1HB   PHE  56          2HB       PHE  56   3.051   3.263  -4.240
  407   2HB   PHE  56          1HB       PHE  56   3.012   2.186  -2.850
  408    HD1  PHE  56           1HD      PHE  56   4.958   0.986  -2.208
  409    HD2  PHE  56           2HD      PHE  56   4.888   3.016  -5.923
  410    HE1  PHE  56           1HE      PHE  56   7.365   0.598  -2.451
  411    HE2  PHE  56           2HE      PHE  56   7.304   2.644  -6.185
  412    HZ   PHE  56           HZ       PHE  56   8.552   1.425  -4.444
  413    H    ALA  57           H        ALA  57   1.131   2.369  -6.473
  414    HA   ALA  57           HA       ALA  57  -0.738   3.930  -5.284
  415   1HB   ALA  57          1HB       ALA  57  -1.806   4.086  -7.410
  416   2HB   ALA  57          2HB       ALA  57  -1.021   2.600  -7.940
  417   3HB   ALA  57          3HB       ALA  57  -0.055   4.033  -7.603
  418    H    GLY  58           H        GLY  58  -1.258   0.530  -6.127
  419   1HA   GLY  58          2HA       GLY  58  -3.676   0.617  -4.471
  420   2HA   GLY  58          1HA       GLY  58  -3.859   0.068  -6.139
  421    H    LYS  59           H        LYS  59  -1.343  -0.372  -3.796
  422    HA   LYS  59           HA       LYS  59  -1.714  -3.264  -3.876
  423   1HB   LYS  59          2HB       LYS  59  -0.298  -2.637  -5.800
  424   2HB   LYS  59          1HB       LYS  59   0.726  -1.732  -4.726
  425   1HG   LYS  59          2HG       LYS  59   1.746  -3.771  -5.421
  426   2HG   LYS  59          1HG       LYS  59   1.473  -3.792  -3.682
  427   1HD   LYS  59          2HD       LYS  59   1.073  -5.902  -4.891
  428   2HD   LYS  59          1HD       LYS  59  -0.292  -5.378  -3.935
  429   1HE   LYS  59          2HE       LYS  59  -0.971  -6.230  -6.173
  430   2HE   LYS  59          1HE       LYS  59  -1.373  -4.528  -6.008
  431   1HZ   LYS  59          1HZ       LYS  59  -0.419  -5.027  -8.143
  432   2HZ   LYS  59          2HZ       LYS  59   1.032  -5.564  -7.524
  433   3HZ   LYS  59          3HZ       LYS  59   0.571  -3.964  -7.350
  434    H    ASP  60           H        ASP  60  -1.146  -4.086  -1.843
  435    HA   ASP  60           HA       ASP  60   0.062  -2.337   0.095
  436   1HB   ASP  60          2HB       ASP  60  -1.327  -4.373   0.783
  437   2HB   ASP  60          1HB       ASP  60  -0.006  -5.369   0.188
  438    H    ALA  61           H        ALA  61   1.941  -1.684  -0.198
  439    HA   ALA  61           HA       ALA  61   3.750  -3.310  -1.825
  440   1HB   ALA  61          1HB       ALA  61   3.048  -1.220  -2.769
  441   2HB   ALA  61          2HB       ALA  61   4.777  -1.183  -2.409
  442   3HB   ALA  61          3HB       ALA  61   3.624  -0.368  -1.345
  443    H    SER  62           H        SER  62   3.424  -3.570   1.115
  444    HA   SER  62           HA       SER  62   5.372  -2.200   2.522
  445   1HB   SER  62          2HB       SER  62   4.414  -5.026   3.038
  446   2HB   SER  62          1HB       SER  62   5.215  -3.961   4.196
  447    HG   SER  62           HG       SER  62   2.667  -3.755   3.040
  448    H    ARG  63           H        ARG  63   5.755  -5.203   0.637
  449    HA   ARG  63           HA       ARG  63   8.496  -5.559   1.440
  450   1HB   ARG  63          2HB       ARG  63   7.147  -7.460   0.581
  451   2HB   ARG  63          1HB       ARG  63   7.100  -6.686  -0.999
  452   1HG   ARG  63          2HG       ARG  63   9.573  -6.819  -1.091
  453   2HG   ARG  63          1HG       ARG  63   9.542  -7.702   0.430
  454   1HD   ARG  63          2HD       ARG  63   8.277  -8.576  -2.165
  455   2HD   ARG  63          1HD       ARG  63   9.768  -9.203  -1.474
  456    HE   ARG  63           HE       ARG  63   7.627  -9.485   0.349
  457   1HH1  ARG  63          1HH1      ARG  63   9.036 -10.890  -2.586
  458   2HH1  ARG  63          2HH1      ARG  63   8.296 -12.413  -2.390
  459   1HH2  ARG  63          1HH2      ARG  63   6.564 -11.666   0.605
  460   2HH2  ARG  63          2HH2      ARG  63   6.901 -12.846  -0.554
  461    H    ALA  64           H        ALA  64   6.843  -4.037  -1.162
  462    HA   ALA  64           HA       ALA  64   9.064  -3.592  -2.930
  463   1HB   ALA  64          1HB       ALA  64   6.746  -3.401  -3.754
  464   2HB   ALA  64          2HB       ALA  64   7.659  -1.927  -4.048
  465   3HB   ALA  64          3HB       ALA  64   6.521  -2.003  -2.708
  466    H    LEU  65           H        LEU  65   7.559  -1.846  -0.406
  467    HA   LEU  65           HA       LEU  65   8.968   0.545  -0.498
  468   1HB   LEU  65          2HB       LEU  65   7.554  -1.001   1.564
  469   2HB   LEU  65          1HB       LEU  65   8.340   0.477   2.014
  470    HG   LEU  65           HG       LEU  65   6.039   0.149   0.045
  471   1HD1  LEU  65          1HD1      LEU  65   5.371   0.000   2.388
  472   2HD1  LEU  65          2HD1      LEU  65   4.811   1.493   1.629
  473   3HD1  LEU  65          3HD1      LEU  65   6.178   1.534   2.723
  474   1HD2  LEU  65          1HD2      LEU  65   6.051   2.598  -0.045
  475   2HD2  LEU  65          2HD2      LEU  65   7.553   1.903  -0.694
  476   3HD2  LEU  65          3HD2      LEU  65   7.505   2.554   0.954
  477    H    GLY  66           H        GLY  66   9.930  -2.549   0.828
  478   1HA   GLY  66          2HA       GLY  66  12.221  -1.232   2.039
  479   2HA   GLY  66          1HA       GLY  66  11.847  -2.915   2.224
  480    H    LYS  67           H        LYS  67  11.399  -2.808  -0.832
  481    HA   LYS  67           HA       LYS  67  14.178  -3.498  -1.451
  482   1HB   LYS  67          2HB       LYS  67  11.683  -3.940  -3.083
  483   2HB   LYS  67          1HB       LYS  67  13.263  -4.631  -3.395
  484   1HG   LYS  67          2HG       LYS  67  11.496  -5.212  -1.025
  485   2HG   LYS  67          1HG       LYS  67  11.730  -6.265  -2.411
  486   1HD   LYS  67          2HD       LYS  67  13.857  -5.424  -0.430
  487   2HD   LYS  67          1HD       LYS  67  13.041  -6.985  -0.461
  488   1HE   LYS  67          2HE       LYS  67  13.906  -7.359  -2.699
  489   2HE   LYS  67          1HE       LYS  67  14.808  -5.848  -2.619
  490   1HZ   LYS  67          1HZ       LYS  67  16.273  -7.648  -2.018
  491   2HZ   LYS  67          2HZ       LYS  67  15.147  -8.241  -0.937
  492   3HZ   LYS  67          3HZ       LYS  67  15.917  -6.777  -0.593
  493    H    MET  68           H        MET  68  11.928  -0.963  -1.921
  494    HA   MET  68           HA       MET  68  11.760   0.851  -3.236
  495   1HB   MET  68          2HB       MET  68  14.722   0.352  -3.521
  496   2HB   MET  68          1HB       MET  68  13.951   1.774  -4.223
  497   1HG   MET  68          2HG       MET  68  14.081   0.995  -1.327
  498   2HG   MET  68          1HG       MET  68  15.023   2.265  -2.114
  499   1HE   MET  68          1HE       MET  68  12.824   3.543  -4.069
  500   2HE   MET  68          2HE       MET  68  13.931   4.515  -3.100
  501   3HE   MET  68          3HE       MET  68  12.199   4.848  -3.063
  502    H    SER  69           H        SER  69  11.196  -1.650  -4.262
  503    HA   SER  69           HA       SER  69  12.040  -1.547  -7.014
  504   1HB   SER  69          2HB       SER  69  12.562  -3.465  -6.295
  505   2HB   SER  69          1HB       SER  69  11.101  -3.836  -5.307
  506    HG   SER  69           HG       SER  69  11.756  -4.535  -7.796
  507    H    LYS  70           H        LYS  70  10.666  -1.989  -8.605
  508    HA   LYS  70           HA       LYS  70   8.074  -0.679  -8.225
  509   1HB   LYS  70          2HB       LYS  70  10.128  -0.308 -10.404
  510   2HB   LYS  70          1HB       LYS  70   8.671   0.656 -10.137
  511   1HG   LYS  70          2HG       LYS  70  10.490   0.281  -7.975
  512   2HG   LYS  70          1HG       LYS  70  11.199   1.406  -8.976
  513   1HD   LYS  70          2HD       LYS  70   8.813   2.622  -8.641
  514   2HD   LYS  70          1HD       LYS  70   8.636   1.419  -7.367
  515   1HE   LYS  70          2HE       LYS  70   9.477   3.499  -6.435
  516   2HE   LYS  70          1HE       LYS  70  10.695   2.238  -6.307
  517   1HZ   LYS  70          1HZ       LYS  70  11.671   4.309  -7.023
  518   2HZ   LYS  70          2HZ       LYS  70  10.620   4.444  -8.302
  519   3HZ   LYS  70          3HZ       LYS  70  11.783   3.213  -8.301
  520    H    ASN  71           H        ASN  71   9.632  -3.440  -9.000
  521    HA   ASN  71           HA       ASN  71   7.869  -4.160 -11.209
  522   1HB   ASN  71          2HB       ASN  71   9.417  -6.198 -11.422
  523   2HB   ASN  71          1HB       ASN  71  10.132  -4.651 -11.832
  524   1HD2  ASN  71          1HD2      ASN  71  10.039  -7.207  -9.510
  525   2HD2  ASN  71          2HD2      ASN  71  11.486  -6.811  -8.657
  526    H    GLU  72           H        GLU  72   6.416  -5.829 -11.014
  527    HA   GLU  72           HA       GLU  72   5.235  -6.171  -8.505
  528   1HB   GLU  72          2HB       GLU  72   4.879  -7.811 -11.001
  529   2HB   GLU  72          1HB       GLU  72   3.893  -8.000  -9.564
  530   1HG   GLU  72          2HG       GLU  72   4.099  -5.571 -11.316
  531   2HG   GLU  72          1HG       GLU  72   2.735  -6.673 -11.180
  532    H    GLU  73           H        GLU  73   7.724  -7.956  -9.975
  533    HA   GLU  73           HA       GLU  73   7.623 -10.407  -8.646
  534   1HB   GLU  73          2HB       GLU  73  10.154  -8.838  -9.154
  535   2HB   GLU  73          1HB       GLU  73   9.997 -10.563  -8.938
  536   1HG   GLU  73          2HG       GLU  73   8.811 -10.770 -11.023
  537   2HG   GLU  73          1HG       GLU  73   8.846  -9.018 -11.237
  538    H    ASP  74           H        ASP  74   8.719  -7.224  -7.485
  539    HA   ASP  74           HA       ASP  74   9.277  -8.434  -4.876
  540   1HB   ASP  74          2HB       ASP  74  10.342  -5.863  -6.051
  541   2HB   ASP  74          1HB       ASP  74  10.603  -6.371  -4.389
  542    H    VAL  75           H        VAL  75   6.975  -6.630  -6.481
  543    HA   VAL  75           HA       VAL  75   6.290  -5.098  -4.128
  544    HB   VAL  75           HB       VAL  75   4.566  -5.333  -6.627
  545   1HG1  VAL  75          1HG1      VAL  75   3.468  -4.525  -4.667
  546   2HG1  VAL  75          2HG1      VAL  75   3.669  -3.222  -5.870
  547   3HG1  VAL  75          3HG1      VAL  75   4.707  -3.288  -4.453
  548   1HG2  VAL  75          1HG2      VAL  75   5.534  -3.242  -7.372
  549   2HG2  VAL  75          2HG2      VAL  75   6.788  -4.495  -7.237
  550   3HG2  VAL  75          3HG2      VAL  75   6.635  -3.251  -5.991
  551    H    SER  76           H        SER  76   5.123  -5.782  -2.561
  552    HA   SER  76           HA       SER  76   3.293  -7.933  -2.692
  553   1HB   SER  76          2HB       SER  76   6.135  -8.275  -1.997
  554   2HB   SER  76          1HB       SER  76   4.950  -9.391  -1.328
  555    HG   SER  76           HG       SER  76   4.824  -8.924  -4.047
  556    HA   PRO  77           HA       PRO  77   2.762  -6.188   1.422
  557   1HB   PRO  77          2HB       PRO  77   1.166  -7.989   2.572
  558   2HB   PRO  77          1HB       PRO  77   0.624  -7.007   1.207
  559   1HG   PRO  77          2HG       PRO  77   1.483  -9.856   1.276
  560   2HG   PRO  77          1HG       PRO  77   0.215  -9.095   0.306
  561   1HD   PRO  77          2HD       PRO  77   2.783  -9.723  -0.591
  562   2HD   PRO  77          1HD       PRO  77   1.666  -8.584  -1.367
  563    H    SER  78           H        SER  78   4.224  -9.386   1.229
  564    HA   SER  78           HA       SER  78   4.693  -9.452   4.106
  565   1HB   SER  78          2HB       SER  78   5.497 -11.727   3.637
  566   2HB   SER  78          1HB       SER  78   3.811 -11.304   3.216
  567    HG   SER  78           HG       SER  78   4.472 -12.321   1.465
  568    H    LEU  79           H        LEU  79   6.580  -9.833   5.107
  569    HA   LEU  79           HA       LEU  79   8.800  -8.514   3.690
  570   1HB   LEU  79          2HB       LEU  79   8.321  -8.456   6.658
  571   2HB   LEU  79          1HB       LEU  79   9.366  -7.443   5.685
  572    HG   LEU  79           HG       LEU  79   6.399  -7.351   5.921
  573   1HD1  LEU  79          1HD1      LEU  79   8.487  -5.281   6.472
  574   2HD1  LEU  79          2HD1      LEU  79   7.516  -6.178   7.644
  575   3HD1  LEU  79          3HD1      LEU  79   6.747  -5.034   6.555
  576   1HD2  LEU  79          1HD2      LEU  79   8.075  -5.940   3.833
  577   2HD2  LEU  79          2HD2      LEU  79   6.386  -5.570   4.236
  578   3HD2  LEU  79          3HD2      LEU  79   6.800  -7.160   3.619
  579    H    GLU  80           H        GLU  80   8.000 -11.375   4.182
  580    HA   GLU  80           HA       GLU  80   9.741 -12.586   6.006
  581   1HB   GLU  80          2HB       GLU  80   9.238 -14.658   4.686
  582   2HB   GLU  80          1HB       GLU  80   7.845 -13.776   5.296
  583   1HG   GLU  80          2HG       GLU  80   7.509 -12.791   3.079
  584   2HG   GLU  80          1HG       GLU  80   8.904 -13.688   2.481
  585    H    GLY  81           H        GLY  81  10.411 -11.219   2.984
  586   1HA   GLY  81          2HA       GLY  81  12.935 -12.709   2.767
  587   2HA   GLY  81          1HA       GLY  81  12.202 -11.751   1.487
  588    H    LEU  82           H        LEU  82  11.848 -10.077   4.333
  589    HA   LEU  82           HA       LEU  82  14.183  -8.454   3.737
  590   1HB   LEU  82          2HB       LEU  82  11.417  -7.696   4.619
  591   2HB   LEU  82          1HB       LEU  82  12.771  -6.633   4.913
  592    HG   LEU  82           HG       LEU  82  13.134  -6.500   2.433
  593   1HD1  LEU  82          1HD1      LEU  82  11.513  -7.214   0.954
  594   2HD1  LEU  82          2HD1      LEU  82  10.692  -8.116   2.275
  595   3HD1  LEU  82          3HD1      LEU  82  12.376  -8.502   1.802
  596   1HD2  LEU  82          1HD2      LEU  82  11.816  -4.788   3.557
  597   2HD2  LEU  82          2HD2      LEU  82  10.362  -5.768   3.317
  598   3HD2  LEU  82          3HD2      LEU  82  11.242  -5.128   1.922
  599    H    THR  83           H        THR  83  15.672  -8.680   5.185
  600    HA   THR  83           HA       THR  83  14.950  -9.085   7.950
  601    HB   THR  83           HB       THR  83  16.956 -10.289   7.035
  602    HG1  THR  83           1HG      THR  83  17.227 -10.009   9.159
  603   1HG2  THR  83          1HG2      THR  83  18.153  -7.549   6.816
  604   2HG2  THR  83          2HG2      THR  83  17.638  -8.524   5.440
  605   3HG2  THR  83          3HG2      THR  83  18.980  -9.065   6.456
  606    H    GLU  84           H        GLU  84  16.595  -7.425   9.367
  607    HA   GLU  84           HA       GLU  84  15.108  -5.108   9.407
  608   1HB   GLU  84          2HB       GLU  84  16.323  -5.889  11.343
  609   2HB   GLU  84          1HB       GLU  84  17.853  -5.532  10.551
  610   1HG   GLU  84          2HG       GLU  84  17.367  -3.172  10.598
  611   2HG   GLU  84          1HG       GLU  84  15.771  -3.493  11.267
  612    H    LYS  85           H        LYS  85  18.225  -5.530   7.768
  613    HA   LYS  85           HA       LYS  85  18.776  -2.851   7.130
  614   1HB   LYS  85          2HB       LYS  85  20.165  -3.671   5.317
  615   2HB   LYS  85          1HB       LYS  85  20.309  -4.818   6.642
  616   1HG   LYS  85          2HG       LYS  85  18.542  -6.177   5.539
  617   2HG   LYS  85          1HG       LYS  85  18.578  -5.055   4.237
  618   1HD   LYS  85          2HD       LYS  85  19.784  -6.969   3.662
  619   2HD   LYS  85          1HD       LYS  85  20.872  -5.580   3.681
  620   1HE   LYS  85          2HE       LYS  85  21.709  -6.253   5.903
  621   2HE   LYS  85          1HE       LYS  85  20.618  -7.636   5.895
  622   1HZ   LYS  85          1HZ       LYS  85  22.847  -8.286   5.293
  623   2HZ   LYS  85          2HZ       LYS  85  22.887  -7.190   4.023
  624   3HZ   LYS  85          3HZ       LYS  85  21.823  -8.501   3.980
  625    H    GLU  86           H        GLU  86  16.584  -5.208   5.468
  626    HA   GLU  86           HA       GLU  86  16.086  -3.609   3.233
  627   1HB   GLU  86          2HB       GLU  86  14.829  -5.998   4.483
  628   2HB   GLU  86          1HB       GLU  86  14.425  -5.362   2.913
  629   1HG   GLU  86          2HG       GLU  86  17.084  -6.526   3.756
  630   2HG   GLU  86          1HG       GLU  86  15.865  -7.348   2.795
  631    H    ILE  87           H        ILE  87  14.523  -4.594   6.223
  632    HA   ILE  87           HA       ILE  87  12.065  -3.406   5.755
  633    HB   ILE  87           HB       ILE  87  13.367  -3.905   8.439
  634   1HG1  ILE  87          2HG1      ILE  87  11.424  -5.584   6.836
  635   2HG1  ILE  87          1HG1      ILE  87  13.117  -5.959   7.127
  636   1HG2  ILE  87          1HG2      ILE  87  11.572  -2.303   8.536
  637   2HG2  ILE  87          2HG2      ILE  87  11.032  -3.846   9.262
  638   3HG2  ILE  87          3HG2      ILE  87  10.555  -3.400   7.601
  639   1HD1  ILE  87          1HD1      ILE  87  11.624  -7.230   8.607
  640   2HD1  ILE  87          2HD1      ILE  87  11.026  -5.691   9.266
  641   3HD1  ILE  87          3HD1      ILE  87  12.702  -6.148   9.497
  642    H    ASN  88           H        ASN  88  15.024  -2.125   7.171
  643    HA   ASN  88           HA       ASN  88  14.066   0.202   8.333
  644   1HB   ASN  88          2HB       ASN  88  16.657  -0.277   6.942
  645   2HB   ASN  88          1HB       ASN  88  16.247   1.286   7.637
  646   1HD2  ASN  88          1HD2      ASN  88  18.385  -0.546   8.393
  647   2HD2  ASN  88          2HD2      ASN  88  18.113  -0.976  10.042
  648    H    THR  89           H        THR  89  14.666  -0.323   4.957
  649    HA   THR  89           HA       THR  89  14.367   2.329   4.128
  650    HB   THR  89           HB       THR  89  13.903  -0.304   2.751
  651    HG1  THR  89           1HG      THR  89  16.132   1.399   3.108
  652   1HG2  THR  89          1HG2      THR  89  12.835   1.454   1.591
  653   2HG2  THR  89          2HG2      THR  89  14.297   0.942   0.712
  654   3HG2  THR  89          3HG2      THR  89  14.298   2.456   1.675
  655    H    LEU  90           H        LEU  90  12.076  -0.369   4.322
  656    HA   LEU  90           HA       LEU  90   9.753   1.065   3.505
  657   1HB   LEU  90          2HB       LEU  90   9.383  -1.069   3.196
  658   2HB   LEU  90          1HB       LEU  90  10.466  -1.608   4.428
  659    HG   LEU  90           HG       LEU  90   8.535  -0.804   6.016
  660   1HD1  LEU  90          1HD1      LEU  90   6.979  -1.228   3.524
  661   2HD1  LEU  90          2HD1      LEU  90   7.160   0.271   4.439
  662   3HD1  LEU  90          3HD1      LEU  90   6.324  -1.106   5.157
  663   1HD2  LEU  90          1HD2      LEU  90   9.327  -3.026   5.875
  664   2HD2  LEU  90          2HD2      LEU  90   8.416  -3.295   4.388
  665   3HD2  LEU  90          3HD2      LEU  90   7.560  -3.033   5.920
  666    H    ASN  91           H        ASN  91  11.207   0.233   6.526
  667    HA   ASN  91           HA       ASN  91   9.304   0.968   8.411
  668   1HB   ASN  91          2HB       ASN  91  11.590  -0.154   8.671
  669   2HB   ASN  91          1HB       ASN  91  12.271   1.456   8.641
  670   1HD2  ASN  91          1HD2      ASN  91  10.515  -0.870  10.379
  671   2HD2  ASN  91          2HD2      ASN  91  10.532  -0.147  11.918
  672    H    ASP  92           H        ASP  92  11.632   2.862   6.620
  673    HA   ASP  92           HA       ASP  92  11.059   5.431   7.712
  674   1HB   ASP  92          2HB       ASP  92  13.118   4.970   6.460
  675   2HB   ASP  92          1HB       ASP  92  12.181   4.585   5.027
  676    H    TRP  93           H        TRP  93  10.056   3.741   4.787
  677    HA   TRP  93           HA       TRP  93   8.259   5.595   3.726
  678   1HB   TRP  93          2HB       TRP  93   8.529   2.676   3.479
  679   2HB   TRP  93          1HB       TRP  93   7.209   3.483   2.676
  680    HD1  TRP  93           HD       TRP  93  10.507   2.247   1.919
  681    HE1  TRP  93           1HE      TRP  93  11.578   3.444  -0.091
  682    HE3  TRP  93           3HE      TRP  93   7.453   6.331   1.719
  683    HZ2  TRP  93           2HZ      TRP  93  11.179   5.829  -1.543
  684    HZ3  TRP  93           3HZ      TRP  93   7.869   8.029  -0.005
  685    HH2  TRP  93           HH       TRP  93   9.688   7.785  -1.599
  686    H    GLU  94           H        GLU  94   7.503   3.045   6.021
  687    HA   GLU  94           HA       GLU  94   4.729   3.211   6.091
  688   1HB   GLU  94          2HB       GLU  94   6.547   3.062   8.494
  689   2HB   GLU  94          1HB       GLU  94   4.858   2.602   8.456
  690   1HG   GLU  94          2HG       GLU  94   5.363   0.810   6.950
  691   2HG   GLU  94          1HG       GLU  94   7.068   1.236   6.917
  692    H    THR  95           H        THR  95   7.080   5.140   7.583
  693    HA   THR  95           HA       THR  95   5.394   6.756   9.215
  694    HB   THR  95           HB       THR  95   8.187   7.330   8.252
  695    HG1  THR  95           1HG      THR  95   8.559   5.465   9.317
  696   1HG2  THR  95          1HG2      THR  95   8.383   8.494  10.425
  697   2HG2  THR  95          2HG2      THR  95   6.689   8.127  10.765
  698   3HG2  THR  95          3HG2      THR  95   7.110   9.190   9.422
  699    H    LYS  96           H        LYS  96   6.637   7.006   5.959
  700    HA   LYS  96           HA       LYS  96   6.333   9.853   5.730
  701   1HB   LYS  96          2HB       LYS  96   6.926   7.715   3.684
  702   2HB   LYS  96          1HB       LYS  96   7.014   9.448   3.393
  703   1HG   LYS  96          2HG       LYS  96   8.617   8.016   5.476
  704   2HG   LYS  96          1HG       LYS  96   9.254   8.332   3.883
  705   1HD   LYS  96          2HD       LYS  96   8.895  10.765   4.296
  706   2HD   LYS  96          1HD       LYS  96   8.334  10.372   5.921
  707   1HE   LYS  96          2HE       LYS  96  10.669  11.086   5.914
  708   2HE   LYS  96          1HE       LYS  96  10.502   9.417   6.456
  709   1HZ   LYS  96          1HZ       LYS  96  11.231   8.646   4.325
  710   2HZ   LYS  96          2HZ       LYS  96  12.358   9.737   4.894
  711   3HZ   LYS  96          3HZ       LYS  96  11.271  10.206   3.689
  712    H    PHE  97           H        PHE  97   4.658   7.002   4.879
  713    HA   PHE  97           HA       PHE  97   2.629   8.371   3.436
  714   1HB   PHE  97          2HB       PHE  97   3.112   5.596   4.311
  715   2HB   PHE  97          1HB       PHE  97   1.532   6.040   3.719
  716    HD1  PHE  97           1HD      PHE  97   1.156   6.323   1.394
  717    HD2  PHE  97           2HD      PHE  97   5.113   5.757   2.835
  718    HE1  PHE  97           1HE      PHE  97   1.922   5.952  -0.890
  719    HE2  PHE  97           2HE      PHE  97   5.900   5.382   0.530
  720    HZ   PHE  97           HZ       PHE  97   4.311   5.478  -1.337
  721    H    GLU  98           H        GLU  98   2.913   6.775   6.588
  722    HA   GLU  98           HA       GLU  98   0.220   6.915   7.328
  723   1HB   GLU  98          2HB       GLU  98   2.389   5.654   8.261
  724   2HB   GLU  98          1HB       GLU  98   2.375   6.992   9.387
  725   1HG   GLU  98          2HG       GLU  98   0.186   4.986   8.946
  726   2HG   GLU  98          1HG       GLU  98   1.284   4.992  10.288
  727    H    ALA  99           H        ALA  99   2.756   9.345   7.469
  728    HA   ALA  99           HA       ALA  99   1.198  10.938   9.353
  729   1HB   ALA  99          1HB       ALA  99   3.992  11.342   8.330
  730   2HB   ALA  99          2HB       ALA  99   3.563  10.584   9.864
  731   3HB   ALA  99          3HB       ALA  99   3.203  12.291   9.587
  732    H    LYS 100           H        LYS 100   1.486  10.565   6.077
  733    HA   LYS 100           HA       LYS 100   0.942  13.404   5.648
  734   1HB   LYS 100          2HB       LYS 100   2.555  11.516   3.971
  735   2HB   LYS 100          1HB       LYS 100   1.749  12.876   3.237
  736   1HG   LYS 100          2HG       LYS 100   4.040  13.439   3.660
  737   2HG   LYS 100          1HG       LYS 100   2.999  14.399   4.697
  738   1HD   LYS 100          2HD       LYS 100   3.491  12.851   6.550
  739   2HD   LYS 100          1HD       LYS 100   4.583  11.963   5.486
  740   1HE   LYS 100          2HE       LYS 100   4.792  14.865   6.149
  741   2HE   LYS 100          1HE       LYS 100   5.761  13.609   6.938
  742   1HZ   LYS 100          1HZ       LYS 100   7.001  14.694   5.210
  743   2HZ   LYS 100          2HZ       LYS 100   5.817  14.403   4.067
  744   3HZ   LYS 100          3HZ       LYS 100   6.705  13.124   4.698
  745    H    TYR 101           H        TYR 101  -0.116  10.181   5.131
  746    HA   TYR 101           HA       TYR 101  -2.426  11.205   3.652
  747   1HB   TYR 101          2HB       TYR 101  -1.056   8.523   3.381
  748   2HB   TYR 101          1HB       TYR 101  -2.514   9.020   2.539
  749    HD1  TYR 101           1HD      TYR 101  -2.321  10.970   0.883
  750    HD2  TYR 101           2HD      TYR 101   1.037   8.973   2.528
  751    HE1  TYR 101           1HE      TYR 101  -0.913  11.849  -0.943
  752    HE2  TYR 101           2HE      TYR 101   2.458   9.839   0.725
  753    HH   TYR 101           HH       TYR 101   2.159  10.606  -1.538
  754    HA   PRO 102           HA       PRO 102  -4.614   9.444   7.017
  755   1HB   PRO 102          2HB       PRO 102  -7.063   9.319   6.013
  756   2HB   PRO 102          1HB       PRO 102  -6.280  10.886   6.272
  757   1HG   PRO 102          2HG       PRO 102  -6.572   9.299   3.759
  758   2HG   PRO 102          1HG       PRO 102  -6.834  11.030   4.026
  759   1HD   PRO 102          2HD       PRO 102  -4.520  10.021   2.964
  760   2HD   PRO 102          1HD       PRO 102  -4.591  11.516   3.920
  761    H    VAL 103           H        VAL 103  -4.583   7.456   7.667
  762    HA   VAL 103           HA       VAL 103  -4.920   5.278   5.839
  763    HB   VAL 103           HB       VAL 103  -3.313   4.919   7.683
  764   1HG1  VAL 103          1HG1      VAL 103  -4.306   6.184   9.484
  765   2HG1  VAL 103          2HG1      VAL 103  -3.999   4.501   9.946
  766   3HG1  VAL 103          3HG1      VAL 103  -5.643   5.018   9.568
  767   1HG2  VAL 103          1HG2      VAL 103  -4.320   2.960   6.726
  768   2HG2  VAL 103          2HG2      VAL 103  -5.671   3.067   7.861
  769   3HG2  VAL 103          3HG2      VAL 103  -4.038   2.732   8.453
  770    H    VAL 104           H        VAL 104  -6.722   4.948   5.073
  771    HA   VAL 104           HA       VAL 104  -9.053   5.565   6.632
  772    HB   VAL 104           HB       VAL 104 -10.381   5.124   4.523
  773   1HG1  VAL 104          1HG1      VAL 104  -9.721   7.379   5.166
  774   2HG1  VAL 104          2HG1      VAL 104  -9.652   7.197   3.414
  775   3HG1  VAL 104          3HG1      VAL 104  -8.166   7.166   4.364
  776   1HG2  VAL 104          1HG2      VAL 104  -8.784   3.633   3.378
  777   2HG2  VAL 104          2HG2      VAL 104  -7.634   4.971   3.273
  778   3HG2  VAL 104          3HG2      VAL 104  -9.157   5.053   2.394
  779    H    GLY 105           H        GLY 105  -7.892   2.703   4.879
  780   1HA   GLY 105          2HA       GLY 105  -9.477   1.223   6.809
  781   2HA   GLY 105          1HA       GLY 105  -9.745   0.883   5.110
  782    H    ARG 106           H        ARG 106  -9.109  -1.219   5.267
  783    HA   ARG 106           HA       ARG 106  -6.257  -1.653   5.874
  784   1HB   ARG 106          2HB       ARG 106  -6.835  -3.905   6.598
  785   2HB   ARG 106          1HB       ARG 106  -7.493  -2.764   7.719
  786   1HG   ARG 106          2HG       ARG 106  -9.672  -3.059   6.819
  787   2HG   ARG 106          1HG       ARG 106  -8.995  -4.016   5.493
  788   1HD   ARG 106          2HD       ARG 106  -9.986  -5.423   7.199
  789   2HD   ARG 106          1HD       ARG 106  -8.247  -5.657   6.969
  790    HE   ARG 106           HE       ARG 106  -8.218  -4.037   9.052
  791   1HH1  ARG 106          1HH1      ARG 106 -10.368  -6.815   8.461
  792   2HH1  ARG 106          2HH1      ARG 106 -10.554  -7.152  10.125
  793   1HH2  ARG 106          1HH2      ARG 106  -8.487  -4.551  11.290
  794   2HH2  ARG 106          2HH2      ARG 106  -9.487  -5.863  11.747
  795    H    VAL 107           H        VAL 107  -5.379  -3.437   4.813
  796    HA   VAL 107           HA       VAL 107  -7.098  -4.556   2.794
  797    HB   VAL 107           HB       VAL 107  -5.257  -3.173   1.751
  798   1HG1  VAL 107          1HG1      VAL 107  -3.500  -3.562   3.263
  799   2HG1  VAL 107          2HG1      VAL 107  -3.045  -4.157   1.655
  800   3HG1  VAL 107          3HG1      VAL 107  -3.527  -5.301   2.919
  801   1HG2  VAL 107          1HG2      VAL 107  -6.390  -4.881   0.554
  802   2HG2  VAL 107          2HG2      VAL 107  -5.355  -6.092   1.281
  803   3HG2  VAL 107          3HG2      VAL 107  -4.664  -4.935   0.110
  804    H    VAL 108           H        VAL 108  -7.138  -6.643   2.697
  805    HA   VAL 108           HA       VAL 108  -5.556  -8.154   4.630
  806    HB   VAL 108           HB       VAL 108  -7.612  -9.588   4.954
  807   1HG1  VAL 108          1HG1      VAL 108  -8.015  -6.682   5.224
  808   2HG1  VAL 108          2HG1      VAL 108  -7.026  -7.624   6.363
  809   3HG1  VAL 108          3HG1      VAL 108  -8.817  -7.875   6.236
  810   1HG2  VAL 108          1HG2      VAL 108  -8.713  -8.976   2.786
  811   2HG2  VAL 108          2HG2      VAL 108  -8.886  -7.346   3.533
  812   3HG2  VAL 108          3HG2      VAL 108  -9.725  -8.699   4.238
  813    H    SER 109           H        SER 109  -4.913 -10.211   3.934
  814    HA   SER 109           HA       SER 109  -5.529 -10.836   1.194
  815   1HB   SER 109          2HB       SER 109  -3.717  -9.297   1.054
  816   2HB   SER 109          1HB       SER 109  -2.828 -10.160   2.299
  817    HG   SER 109           HG       SER 109  -3.434 -10.973  -0.374
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1 -16.940  -7.878  -8.917
    2   2H    MET   1          2HT       MET   1 -17.604  -6.384  -8.510
    3   3H    MET   1          3HT       MET   1 -17.461  -7.568  -7.349
    4    HA   MET   1           HA       MET   1 -15.100  -7.422  -7.379
    5   1HB   MET   1          2HB       MET   1 -15.574  -5.378  -9.558
    6   2HB   MET   1          1HB       MET   1 -14.054  -5.530  -8.698
    7   1HG   MET   1          2HG       MET   1 -13.949  -6.622 -10.859
    8   2HG   MET   1          1HG       MET   1 -13.779  -7.800  -9.570
    9   1HE   MET   1          1HE       MET   1 -15.556  -9.873 -12.322
   10   2HE   MET   1          2HE       MET   1 -14.201  -9.788 -11.197
   11   3HE   MET   1          3HE       MET   1 -14.309  -8.645 -12.536
   12    H    GLY   2           H        GLY   2 -14.130  -6.123  -5.877
   13   1HA   GLY   2          2HA       GLY   2 -13.870  -4.082  -4.697
   14   2HA   GLY   2          1HA       GLY   2 -15.481  -3.607  -5.213
   15    H    HIS   3           H        HIS   3 -16.721  -3.398  -3.526
   16    HA   HIS   3           HA       HIS   3 -17.915  -3.828  -1.659
   17   1HB   HIS   3          2HB       HIS   3 -16.933  -6.646  -2.076
   18   2HB   HIS   3          1HB       HIS   3 -17.974  -6.206  -0.733
   19    HD1  HIS   3           1HD      HIS   3 -20.368  -6.398  -1.166
   20    HD2  HIS   3           2HD      HIS   3 -18.209  -6.005  -4.684
   21    HE1  HIS   3           1HE      HIS   3 -22.036  -6.688  -3.004
   22    HE2  HIS   3           2HE      HIS   3 -20.757  -6.079  -5.072
   23    H    HIS   4           H        HIS   4 -17.680  -4.927   0.627
   24    HA   HIS   4           HA       HIS   4 -16.666  -5.086   2.602
   25   1HB   HIS   4          2HB       HIS   4 -14.087  -5.034   1.029
   26   2HB   HIS   4          1HB       HIS   4 -14.163  -5.239   2.771
   27    HD1  HIS   4           1HD      HIS   4 -14.299  -7.581   3.559
   28    HD2  HIS   4           2HD      HIS   4 -15.452  -7.210  -0.420
   29    HE1  HIS   4           1HE      HIS   4 -14.691  -9.902   2.748
   30    HE2  HIS   4           2HE      HIS   4 -15.085  -9.672   0.305
   31    H    HIS   5           H        HIS   5 -16.689  -2.348   0.857
   32    HA   HIS   5           HA       HIS   5 -15.116  -0.905   2.812
   33   1HB   HIS   5          2HB       HIS   5 -15.475   1.178   1.533
   34   2HB   HIS   5          1HB       HIS   5 -14.821  -0.081   0.518
   35    HD1  HIS   5           1HD      HIS   5 -15.857  -0.032  -1.778
   36    HD2  HIS   5           2HD      HIS   5 -18.503   1.361   1.127
   37    HE1  HIS   5           1HE      HIS   5 -17.867   0.739  -3.012
   38    HE2  HIS   5           2HE      HIS   5 -19.538   1.215  -1.252
   39    H    HIS   6           H        HIS   6 -15.805   0.277   4.472
   40    HA   HIS   6           HA       HIS   6 -18.716   0.447   4.810
   41   1HB   HIS   6          2HB       HIS   6 -16.660  -0.189   6.939
   42   2HB   HIS   6          1HB       HIS   6 -18.352   0.131   7.260
   43    HD1  HIS   6           1HD      HIS   6 -20.038  -1.794   6.751
   44    HD2  HIS   6           2HD      HIS   6 -16.079  -2.722   5.899
   45    HE1  HIS   6           1HE      HIS   6 -19.982  -4.263   6.426
   46    HE2  HIS   6           2HE      HIS   6 -17.546  -4.762   6.411
   47    H    HIS   7           H        HIS   7 -19.161   2.066   6.723
   48    HA   HIS   7           HA       HIS   7 -17.949   4.513   5.815
   49   1HB   HIS   7          2HB       HIS   7 -20.443   4.213   6.240
   50   2HB   HIS   7          1HB       HIS   7 -20.067   4.187   7.951
   51    HD1  HIS   7           1HD      HIS   7 -20.493   6.448   5.064
   52    HD2  HIS   7           2HD      HIS   7 -19.263   6.759   9.016
   53    HE1  HIS   7           1HE      HIS   7 -20.522   8.901   5.599
   54    HE2  HIS   7           2HE      HIS   7 -19.619   9.063   7.926
   55    H    HIS   8           H        HIS   8 -17.765   2.417   8.596
   56    HA   HIS   8           HA       HIS   8 -16.315   4.265  10.261
   57   1HB   HIS   8          2HB       HIS   8 -16.359   1.229  10.375
   58   2HB   HIS   8          1HB       HIS   8 -15.477   2.220  11.517
   59    HD1  HIS   8           1HD      HIS   8 -16.995   3.688  13.176
   60    HD2  HIS   8           2HD      HIS   8 -18.996   0.848  10.908
   61    HE1  HIS   8           1HE      HIS   8 -19.205   3.374  14.297
   62    HE2  HIS   8           2HE      HIS   8 -20.158   1.376  13.131
   63    H    LEU   9           H        LEU   9 -15.129   1.354   8.602
   64    HA   LEU   9           HA       LEU   9 -13.066   2.876   7.417
   65   1HB   LEU   9          2HB       LEU   9 -11.174   1.491   8.184
   66   2HB   LEU   9          1HB       LEU   9 -11.906   2.341   9.509
   67    HG   LEU   9           HG       LEU   9 -11.178   0.228  10.279
   68   1HD1  LEU   9          1HD1      LEU   9 -13.179  -0.879  11.111
   69   2HD1  LEU   9          2HD1      LEU   9 -14.139   0.154  10.040
   70   3HD1  LEU   9          3HD1      LEU   9 -13.164   0.873  11.315
   71   1HD2  LEU   9          1HD2      LEU   9 -12.739  -1.101   8.062
   72   2HD2  LEU   9          2HD2      LEU   9 -11.923  -1.943   9.377
   73   3HD2  LEU   9          3HD2      LEU   9 -10.984  -1.006   8.211
   74    H    GLU  10           H        GLU  10 -12.205   1.882   5.630
   75    HA   GLU  10           HA       GLU  10 -13.948  -0.207   4.711
   76   1HB   GLU  10          2HB       GLU  10 -12.916   0.314   2.420
   77   2HB   GLU  10          1HB       GLU  10 -14.039   1.454   3.130
   78   1HG   GLU  10          2HG       GLU  10 -11.049   1.779   3.293
   79   2HG   GLU  10          1HG       GLU  10 -12.017   2.425   1.968
   80    H    GLU  11           H        GLU  11 -13.473  -2.253   4.358
   81    HA   GLU  11           HA       GLU  11 -10.789  -3.067   4.666
   82   1HB   GLU  11          2HB       GLU  11 -12.335  -4.244   5.999
   83   2HB   GLU  11          1HB       GLU  11 -13.475  -4.405   4.673
   84   1HG   GLU  11          2HG       GLU  11 -12.099  -5.906   3.555
   85   2HG   GLU  11          1HG       GLU  11 -10.751  -5.722   4.642
   86    H    PHE  12           H        PHE  12  -9.712  -3.825   3.066
   87    HA   PHE  12           HA       PHE  12 -10.986  -4.274   0.462
   88   1HB   PHE  12          2HB       PHE  12  -8.327  -3.294   1.299
   89   2HB   PHE  12          1HB       PHE  12  -8.744  -3.858  -0.310
   90    HD1  PHE  12           1HD      PHE  12 -10.513  -2.471  -1.578
   91    HD2  PHE  12           2HD      PHE  12  -8.777  -1.142   2.067
   92    HE1  PHE  12           1HE      PHE  12 -11.311  -0.190  -2.030
   93    HE2  PHE  12           2HE      PHE  12  -9.570   1.138   1.621
   94    HZ   PHE  12           HZ       PHE  12 -10.840   1.615  -0.429
   95    H    THR  13           H        THR  13 -10.513  -6.252  -0.425
   96    HA   THR  13           HA       THR  13  -8.605  -7.803   1.128
   97    HB   THR  13           HB       THR  13 -10.398  -8.835  -1.096
   98    HG1  THR  13           1HG      THR  13 -11.024  -7.975   1.380
   99   1HG2  THR  13          1HG2      THR  13  -9.978 -10.992   0.024
  100   2HG2  THR  13          2HG2      THR  13  -8.983 -10.115   1.213
  101   3HG2  THR  13          3HG2      THR  13  -8.464 -10.193  -0.463
  102    H    ALA  14           H        ALA  14  -6.864  -8.805  -0.028
  103    HA   ALA  14           HA       ALA  14  -5.547  -6.774  -1.418
  104   1HB   ALA  14          1HB       ALA  14  -4.419  -8.443  -0.030
  105   2HB   ALA  14          2HB       ALA  14  -3.640  -8.116  -1.573
  106   3HB   ALA  14          3HB       ALA  14  -4.562  -9.610  -1.357
  107    H    GLU  15           H        GLU  15  -6.820  -9.743  -2.868
  108    HA   GLU  15           HA       GLU  15  -5.823  -9.141  -5.457
  109   1HB   GLU  15          2HB       GLU  15  -8.270 -10.755  -4.748
  110   2HB   GLU  15          1HB       GLU  15  -7.394 -10.815  -6.268
  111   1HG   GLU  15          2HG       GLU  15  -5.428 -11.666  -5.132
  112   2HG   GLU  15          1HG       GLU  15  -6.279 -11.591  -3.590
  113    H    GLN  16           H        GLN  16  -8.642  -8.246  -3.747
  114    HA   GLN  16           HA       GLN  16 -10.020  -7.098  -5.927
  115   1HB   GLN  16          2HB       GLN  16 -10.410  -7.054  -2.968
  116   2HB   GLN  16          1HB       GLN  16 -11.463  -6.150  -4.056
  117   1HG   GLN  16          2HG       GLN  16 -12.342  -8.032  -5.005
  118   2HG   GLN  16          1HG       GLN  16 -10.925  -9.014  -4.609
  119   1HE2  GLN  16          1HE2      GLN  16 -10.814  -9.975  -2.725
  120   2HE2  GLN  16          2HE2      GLN  16 -12.098 -10.009  -1.588
  121    H    LEU  17           H        LEU  17  -7.857  -5.970  -3.418
  122    HA   LEU  17           HA       LEU  17  -8.144  -3.186  -3.697
  123   1HB   LEU  17          2HB       LEU  17  -7.001  -4.206  -1.789
  124   2HB   LEU  17          1HB       LEU  17  -5.709  -4.751  -2.846
  125    HG   LEU  17           HG       LEU  17  -5.287  -2.328  -3.398
  126   1HD1  LEU  17          1HD1      LEU  17  -6.010  -0.676  -1.807
  127   2HD1  LEU  17          2HD1      LEU  17  -7.040  -1.900  -1.048
  128   3HD1  LEU  17          3HD1      LEU  17  -7.356  -1.387  -2.718
  129   1HD2  LEU  17          1HD2      LEU  17  -3.819  -3.526  -1.921
  130   2HD2  LEU  17          2HD2      LEU  17  -4.884  -3.151  -0.543
  131   3HD2  LEU  17          3HD2      LEU  17  -4.049  -1.849  -1.409
  132    H    SER  18           H        SER  18  -6.467  -5.575  -5.528
  133    HA   SER  18           HA       SER  18  -4.406  -4.033  -6.669
  134   1HB   SER  18          2HB       SER  18  -4.609  -6.585  -6.514
  135   2HB   SER  18          1HB       SER  18  -5.685  -6.467  -7.883
  136    HG   SER  18           HG       SER  18  -4.061  -5.854  -9.185
  137    H    GLN  19           H        GLN  19  -7.540  -3.509  -7.041
  138    HA   GLN  19           HA       GLN  19  -7.438  -2.858  -9.920
  139   1HB   GLN  19          2HB       GLN  19  -9.841  -3.204  -8.141
  140   2HB   GLN  19          1HB       GLN  19  -9.843  -3.019  -9.890
  141   1HG   GLN  19          2HG       GLN  19  -8.640  -5.186 -10.088
  142   2HG   GLN  19          1HG       GLN  19  -8.660  -5.293  -8.353
  143   1HE2  GLN  19          1HE2      GLN  19 -10.471  -5.730  -7.270
  144   2HE2  GLN  19          2HE2      GLN  19 -11.884  -6.403  -8.002
  145    H    TYR  20           H        TYR  20  -7.123  -1.521  -6.921
  146    HA   TYR  20           HA       TYR  20  -8.507   0.977  -7.509
  147   1HB   TYR  20          2HB       TYR  20  -7.255  -0.192  -5.048
  148   2HB   TYR  20          1HB       TYR  20  -7.736   1.491  -5.074
  149    HD1  TYR  20           1HD      TYR  20 -10.115   2.083  -5.224
  150    HD2  TYR  20           2HD      TYR  20  -8.880  -1.968  -5.003
  151    HE1  TYR  20           1HE      TYR  20 -12.407   1.436  -4.671
  152    HE2  TYR  20           2HE      TYR  20 -11.174  -2.649  -4.434
  153    HH   TYR  20           HH       TYR  20 -13.145  -1.672  -3.481
  154    H    ASN  21           H        ASN  21  -6.400   0.323  -9.107
  155    HA   ASN  21           HA       ASN  21  -4.116   1.857  -8.259
  156   1HB   ASN  21          2HB       ASN  21  -3.087   1.091 -10.368
  157   2HB   ASN  21          1HB       ASN  21  -3.716  -0.229  -9.422
  158   1HD2  ASN  21          1HD2      ASN  21  -3.171  -0.206 -12.264
  159   2HD2  ASN  21          2HD2      ASN  21  -4.660  -0.589 -13.048
  160    H    GLY  22           H        GLY  22  -7.017   2.550  -9.415
  161   1HA   GLY  22          2HA       GLY  22  -8.032   4.462 -10.145
  162   2HA   GLY  22          1HA       GLY  22  -6.568   5.280  -9.690
  163    H    THR  23           H        THR  23  -6.836   2.877 -12.278
  164    HA   THR  23           HA       THR  23  -6.157   5.091 -14.059
  165    HB   THR  23           HB       THR  23  -4.474   3.333 -13.984
  166    HG1  THR  23           1HG      THR  23  -4.433   4.250 -15.913
  167   1HG2  THR  23          1HG2      THR  23  -6.626   1.526 -15.060
  168   2HG2  THR  23          2HG2      THR  23  -5.843   1.403 -13.482
  169   3HG2  THR  23          3HG2      THR  23  -4.917   1.108 -14.952
  170    H    ASP  24           H        ASP  24  -8.443   2.603 -13.374
  171    HA   ASP  24           HA       ASP  24  -9.750   3.110 -15.879
  172   1HB   ASP  24          2HB       ASP  24 -10.351   1.044 -13.757
  173   2HB   ASP  24          1HB       ASP  24 -11.224   1.224 -15.257
  174    H    GLU  25           H        GLU  25 -11.617   4.341 -15.851
  175    HA   GLU  25           HA       GLU  25 -13.544   5.351 -15.213
  176   1HB   GLU  25          2HB       GLU  25 -13.428   3.501 -12.841
  177   2HB   GLU  25          1HB       GLU  25 -14.840   4.370 -13.419
  178   1HG   GLU  25          2HG       GLU  25 -13.351   2.256 -14.949
  179   2HG   GLU  25          1HG       GLU  25 -14.843   2.022 -14.045
  180    H    SER  26           H        SER  26 -10.796   5.836 -13.783
  181    HA   SER  26           HA       SER  26  -9.833   7.337 -12.391
  182   1HB   SER  26          2HB       SER  26 -11.228   8.901 -13.755
  183   2HB   SER  26          1HB       SER  26 -12.518   8.735 -12.570
  184    HG   SER  26           HG       SER  26  -9.984   9.948 -12.339
  185    H    LYS  27           H        LYS  27 -10.879   5.037 -11.273
  186    HA   LYS  27           HA       LYS  27 -12.431   5.215  -8.939
  187   1HB   LYS  27          2HB       LYS  27 -10.001   3.455  -9.369
  188   2HB   LYS  27          1HB       LYS  27 -11.256   3.209  -8.195
  189   1HG   LYS  27          2HG       LYS  27 -12.850   2.704  -9.886
  190   2HG   LYS  27          1HG       LYS  27 -11.702   3.150 -11.158
  191   1HD   LYS  27          2HD       LYS  27 -10.167   1.391 -10.295
  192   2HD   LYS  27          1HD       LYS  27 -11.435   0.890  -9.184
  193   1HE   LYS  27          2HE       LYS  27 -12.869   0.317 -11.027
  194   2HE   LYS  27          1HE       LYS  27 -11.688   0.928 -12.186
  195   1HZ   LYS  27          1HZ       LYS  27 -11.345  -1.372 -10.349
  196   2HZ   LYS  27          2HZ       LYS  27 -10.124  -0.743 -11.322
  197   3HZ   LYS  27          3HZ       LYS  27 -11.483  -1.456 -12.029
  198    HA   PRO  28           HA       PRO  28  -9.693   7.139  -5.886
  199   1HB   PRO  28          2HB       PRO  28 -10.228   5.559  -3.706
  200   2HB   PRO  28          1HB       PRO  28 -11.307   6.848  -4.249
  201   1HG   PRO  28          2HG       PRO  28 -11.481   3.900  -4.757
  202   2HG   PRO  28          1HG       PRO  28 -12.770   5.042  -4.345
  203   1HD   PRO  28          2HD       PRO  28 -12.384   4.189  -6.844
  204   2HD   PRO  28          1HD       PRO  28 -12.921   5.839  -6.500
  205    H    ILE  29           H        ILE  29  -7.676   6.701  -4.869
  206    HA   ILE  29           HA       ILE  29  -6.482   4.191  -5.825
  207    HB   ILE  29           HB       ILE  29  -5.058   6.809  -5.330
  208   1HG1  ILE  29          2HG1      ILE  29  -5.949   5.623  -7.943
  209   2HG1  ILE  29          1HG1      ILE  29  -6.743   6.996  -7.183
  210   1HG2  ILE  29          1HG2      ILE  29  -4.296   4.285  -6.827
  211   2HG2  ILE  29          2HG2      ILE  29  -3.693   4.742  -5.239
  212   3HG2  ILE  29          3HG2      ILE  29  -3.283   5.720  -6.652
  213   1HD1  ILE  29          1HD1      ILE  29  -5.281   7.622  -8.928
  214   2HD1  ILE  29          2HD1      ILE  29  -3.904   6.909  -8.037
  215   3HD1  ILE  29          3HD1      ILE  29  -4.774   8.293  -7.378
  216    H    TYR  30           H        TYR  30  -5.613   2.936  -4.330
  217    HA   TYR  30           HA       TYR  30  -4.984   4.033  -1.667
  218   1HB   TYR  30          2HB       TYR  30  -6.477   1.477  -2.244
  219   2HB   TYR  30          1HB       TYR  30  -5.953   2.046  -0.668
  220    HD1  TYR  30           1HD      TYR  30  -8.523   2.175  -3.177
  221    HD2  TYR  30           2HD      TYR  30  -7.030   4.129   0.290
  222    HE1  TYR  30           1HE      TYR  30 -10.678   3.316  -2.896
  223    HE2  TYR  30           2HE      TYR  30  -9.191   5.278   0.572
  224    HH   TYR  30           HH       TYR  30 -11.096   5.912  -0.726
  225    H    VAL  31           H        VAL  31  -3.330   3.303  -0.702
  226    HA   VAL  31           HA       VAL  31  -1.808   1.126  -1.954
  227    HB   VAL  31           HB       VAL  31   0.234   2.134  -1.044
  228   1HG1  VAL  31          1HG1      VAL  31  -1.246   4.036  -2.829
  229   2HG1  VAL  31          2HG1      VAL  31  -0.251   2.654  -3.321
  230   3HG1  VAL  31          3HG1      VAL  31   0.497   4.042  -2.537
  231   1HG2  VAL  31          1HG2      VAL  31  -1.502   4.456  -0.252
  232   2HG2  VAL  31          2HG2      VAL  31   0.262   4.462  -0.211
  233   3HG2  VAL  31          3HG2      VAL  31  -0.643   3.358   0.830
  234    H    ALA  32           H        ALA  32  -0.546  -0.070  -0.296
  235    HA   ALA  32           HA       ALA  32  -1.597   0.369   2.367
  236   1HB   ALA  32          1HB       ALA  32  -2.073  -1.989   2.684
  237   2HB   ALA  32          2HB       ALA  32  -1.560  -2.328   1.033
  238   3HB   ALA  32          3HB       ALA  32  -3.000  -1.358   1.319
  239    H    ILE  33           H        ILE  33  -0.317  -0.380   3.996
  240    HA   ILE  33           HA       ILE  33   2.332  -1.448   3.304
  241    HB   ILE  33           HB       ILE  33   1.822   0.881   5.219
  242   1HG1  ILE  33          2HG1      ILE  33   3.318   0.909   2.599
  243   2HG1  ILE  33          1HG1      ILE  33   1.725   1.590   2.816
  244   1HG2  ILE  33          1HG2      ILE  33   4.361  -0.515   4.439
  245   2HG2  ILE  33          2HG2      ILE  33   3.655  -0.390   6.073
  246   3HG2  ILE  33          3HG2      ILE  33   4.286   1.036   5.236
  247   1HD1  ILE  33          1HD1      ILE  33   4.248   2.496   4.172
  248   2HD1  ILE  33          2HD1      ILE  33   2.644   3.175   4.452
  249   3HD1  ILE  33          3HD1      ILE  33   3.400   3.320   2.864
  250    H    LYS  34           H        LYS  34   2.250  -3.369   4.378
  251    HA   LYS  34           HA       LYS  34   2.001  -4.947   6.025
  252   1HB   LYS  34          2HB       LYS  34   1.797  -2.534   7.815
  253   2HB   LYS  34          1HB       LYS  34   1.522  -4.144   8.431
  254   1HG   LYS  34          2HG       LYS  34   3.829  -4.732   7.747
  255   2HG   LYS  34          1HG       LYS  34   4.072  -3.040   7.276
  256   1HD   LYS  34          2HD       LYS  34   3.644  -2.278   9.494
  257   2HD   LYS  34          1HD       LYS  34   3.132  -3.877  10.014
  258   1HE   LYS  34          2HE       LYS  34   5.357  -3.379  10.836
  259   2HE   LYS  34          1HE       LYS  34   5.402  -4.704   9.680
  260   1HZ   LYS  34          1HZ       LYS  34   6.128  -1.873   9.106
  261   2HZ   LYS  34          2HZ       LYS  34   6.166  -3.125   7.996
  262   3HZ   LYS  34          3HZ       LYS  34   7.187  -3.147   9.350
  263    H    GLY  35           H        GLY  35  -0.356  -3.591   4.613
  264   1HA   GLY  35          2HA       GLY  35  -2.463  -4.613   4.607
  265   2HA   GLY  35          1HA       GLY  35  -2.389  -4.879   6.312
  266    H    ARG  36           H        ARG  36  -1.364  -1.955   6.589
  267    HA   ARG  36           HA       ARG  36  -4.015  -0.897   6.744
  268   1HB   ARG  36          2HB       ARG  36  -2.804   1.223   7.582
  269   2HB   ARG  36          1HB       ARG  36  -2.811  -0.175   8.622
  270   1HG   ARG  36          2HG       ARG  36  -0.558  -0.700   7.901
  271   2HG   ARG  36          1HG       ARG  36  -0.545   0.706   6.852
  272   1HD   ARG  36          2HD       ARG  36  -0.818   2.156   8.807
  273   2HD   ARG  36          1HD       ARG  36  -0.909   0.739   9.851
  274    HE   ARG  36           HE       ARG  36   1.457   0.560   8.436
  275   1HH1  ARG  36          1HH1      ARG  36   0.032   2.732  10.850
  276   2HH1  ARG  36          2HH1      ARG  36   1.496   3.134  11.587
  277   1HH2  ARG  36          1HH2      ARG  36   3.531   1.096   9.473
  278   2HH2  ARG  36          2HH2      ARG  36   3.534   2.186  10.777
  279    H    VAL  37           H        VAL  37  -5.022   0.166   5.368
  280    HA   VAL  37           HA       VAL  37  -3.676   0.844   2.912
  281    HB   VAL  37           HB       VAL  37  -6.628   0.722   3.601
  282   1HG1  VAL  37          1HG1      VAL  37  -6.226   2.448   1.913
  283   2HG1  VAL  37          2HG1      VAL  37  -6.997   1.031   1.183
  284   3HG1  VAL  37          3HG1      VAL  37  -5.258   1.299   0.996
  285   1HG2  VAL  37          1HG2      VAL  37  -4.888  -0.986   1.842
  286   2HG2  VAL  37          2HG2      VAL  37  -6.623  -1.175   2.080
  287   3HG2  VAL  37          3HG2      VAL  37  -5.516  -1.435   3.426
  288    H    PHE  38           H        PHE  38  -3.178   2.727   2.332
  289    HA   PHE  38           HA       PHE  38  -4.178   5.077   3.789
  290   1HB   PHE  38          2HB       PHE  38  -1.636   4.610   2.246
  291   2HB   PHE  38          1HB       PHE  38  -2.105   6.164   2.910
  292    HD1  PHE  38           1HD      PHE  38  -1.070   2.655   3.860
  293    HD2  PHE  38           2HD      PHE  38  -1.596   6.708   5.125
  294    HE1  PHE  38           1HE      PHE  38   0.172   2.192   5.870
  295    HE2  PHE  38           2HE      PHE  38  -0.367   6.200   7.170
  296    HZ   PHE  38           HZ       PHE  38   0.533   3.940   7.546
  297    H    ASP  39           H        ASP  39  -5.088   6.671   2.529
  298    HA   ASP  39           HA       ASP  39  -5.670   5.979  -0.238
  299   1HB   ASP  39          2HB       ASP  39  -7.497   6.918   1.092
  300   2HB   ASP  39          1HB       ASP  39  -6.557   8.369   1.412
  301    H    VAL  40           H        VAL  40  -4.677   6.775  -1.941
  302    HA   VAL  40           HA       VAL  40  -2.926   9.108  -1.579
  303    HB   VAL  40           HB       VAL  40  -1.408   8.144  -3.336
  304   1HG1  VAL  40          1HG1      VAL  40  -1.680   6.506  -0.822
  305   2HG1  VAL  40          2HG1      VAL  40  -0.783   8.023  -1.014
  306   3HG1  VAL  40          3HG1      VAL  40  -0.272   6.579  -1.889
  307   1HG2  VAL  40          1HG2      VAL  40  -1.495   5.765  -3.793
  308   2HG2  VAL  40          2HG2      VAL  40  -2.977   6.573  -4.310
  309   3HG2  VAL  40          3HG2      VAL  40  -2.965   5.622  -2.824
  310    H    THR  41           H        THR  41  -5.712   8.747  -2.569
  311    HA   THR  41           HA       THR  41  -5.735   9.102  -5.379
  312    HB   THR  41           HB       THR  41  -7.787  10.105  -3.377
  313    HG1  THR  41           1HG      THR  41  -7.851   8.017  -2.873
  314   1HG2  THR  41          1HG2      THR  41  -9.364   9.682  -5.224
  315   2HG2  THR  41          2HG2      THR  41  -8.025   9.158  -6.243
  316   3HG2  THR  41          3HG2      THR  41  -8.115  10.833  -5.702
  317    H    THR  42           H        THR  42  -5.104  11.098  -2.655
  318    HA   THR  42           HA       THR  42  -5.524  13.635  -3.765
  319    HB   THR  42           HB       THR  42  -4.031  14.297  -1.829
  320    HG1  THR  42           1HG      THR  42  -3.695  12.448  -0.344
  321   1HG2  THR  42          1HG2      THR  42  -6.486  14.177  -1.654
  322   2HG2  THR  42          2HG2      THR  42  -5.712  13.677  -0.152
  323   3HG2  THR  42          3HG2      THR  42  -6.369  12.463  -1.255
  324    H    GLY  43           H        GLY  43  -2.821  11.415  -3.630
  325   1HA   GLY  43          2HA       GLY  43  -1.118  13.306  -5.090
  326   2HA   GLY  43          1HA       GLY  43  -0.544  11.886  -4.216
  327    H    LYS  44           H        LYS  44  -3.199  12.195  -6.454
  328    HA   LYS  44           HA       LYS  44  -2.850   9.753  -7.795
  329   1HB   LYS  44          2HB       LYS  44  -4.878  11.110  -7.733
  330   2HB   LYS  44          1HB       LYS  44  -4.115  12.220  -8.868
  331   1HG   LYS  44          2HG       LYS  44  -3.855  10.447 -10.474
  332   2HG   LYS  44          1HG       LYS  44  -4.508   9.313  -9.322
  333   1HD   LYS  44          2HD       LYS  44  -6.552  10.586  -9.244
  334   2HD   LYS  44          1HD       LYS  44  -5.832  11.664 -10.448
  335   1HE   LYS  44          2HE       LYS  44  -6.157   8.726 -10.883
  336   2HE   LYS  44          1HE       LYS  44  -7.337   9.936 -11.364
  337   1HZ   LYS  44          1HZ       LYS  44  -4.522   9.726 -12.319
  338   2HZ   LYS  44          2HZ       LYS  44  -5.545  10.994 -12.711
  339   3HZ   LYS  44          3HZ       LYS  44  -5.896   9.450 -13.249
  340    H    SER  45           H        SER  45  -1.553  12.904  -8.494
  341    HA   SER  45           HA       SER  45  -0.649  12.485 -11.089
  342   1HB   SER  45          2HB       SER  45  -0.630  14.695  -9.936
  343   2HB   SER  45          1HB       SER  45   0.729  14.142  -8.963
  344    HG   SER  45           HG       SER  45   1.734  13.743 -11.162
  345    H    PHE  46           H        PHE  46   0.682  11.280  -8.103
  346    HA   PHE  46           HA       PHE  46   3.075  10.365  -9.501
  347   1HB   PHE  46          2HB       PHE  46   2.371  10.330  -6.566
  348   2HB   PHE  46          1HB       PHE  46   3.845   9.643  -7.227
  349    HD1  PHE  46           1HD      PHE  46   2.072  12.713  -6.380
  350    HD2  PHE  46           2HD      PHE  46   5.595  11.079  -8.113
  351    HE1  PHE  46           1HE      PHE  46   3.173  14.909  -6.211
  352    HE2  PHE  46           2HE      PHE  46   6.700  13.268  -7.946
  353    HZ   PHE  46           HZ       PHE  46   5.489  15.183  -6.996
  354    H    TYR  47           H        TYR  47   0.398   9.072  -7.573
  355    HA   TYR  47           HA       TYR  47   1.283   6.383  -8.066
  356   1HB   TYR  47          2HB       TYR  47  -1.137   7.402  -6.570
  357   2HB   TYR  47          1HB       TYR  47  -0.562   5.737  -6.571
  358    HD1  TYR  47           1HD      TYR  47   1.298   5.075  -5.181
  359    HD2  TYR  47           2HD      TYR  47   0.230   9.170  -5.507
  360    HE1  TYR  47           1HE      TYR  47   2.817   5.627  -3.312
  361    HE2  TYR  47           2HE      TYR  47   1.723   9.729  -3.664
  362    HH   TYR  47           HH       TYR  47   2.745   8.745  -1.849
  363    H    GLY  48           H        GLY  48  -1.844   8.112  -8.786
  364   1HA   GLY  48          2HA       GLY  48  -2.497   5.875 -10.546
  365   2HA   GLY  48          1HA       GLY  48  -3.611   7.055  -9.924
  366    H    SER  49           H        SER  49  -0.576   7.474 -11.572
  367    HA   SER  49           HA       SER  49  -2.054   8.742 -13.768
  368   1HB   SER  49          2HB       SER  49  -1.005  10.460 -12.276
  369   2HB   SER  49          1HB       SER  49   0.563   9.720 -12.569
  370    HG   SER  49           HG       SER  49  -1.151  10.972 -14.424
  371    H    GLY  50           H        GLY  50  -0.466   6.152 -12.939
  372   1HA   GLY  50          2HA       GLY  50   0.780   4.567 -14.034
  373   2HA   GLY  50          1HA       GLY  50   0.612   5.538 -15.495
  374    H    GLY  51           H        GLY  51   1.960   6.774 -12.529
  375   1HA   GLY  51          2HA       GLY  51   4.374   7.468 -13.989
  376   2HA   GLY  51          1HA       GLY  51   3.882   8.089 -12.421
  377    H    ASP  52           H        ASP  52   5.866   7.757 -11.534
  378    HA   ASP  52           HA       ASP  52   7.329   5.315 -11.597
  379   1HB   ASP  52          2HB       ASP  52   8.414   7.473 -11.233
  380   2HB   ASP  52          1HB       ASP  52   7.496   7.709  -9.755
  381    H    TYR  53           H        TYR  53   5.134   6.805  -9.334
  382    HA   TYR  53           HA       TYR  53   5.421   4.626  -7.451
  383   1HB   TYR  53          2HB       TYR  53   3.797   7.168  -7.321
  384   2HB   TYR  53          1HB       TYR  53   3.906   5.984  -6.025
  385    HD1  TYR  53           1HD      TYR  53   5.981   5.712  -4.767
  386    HD2  TYR  53           2HD      TYR  53   5.624   8.661  -7.807
  387    HE1  TYR  53           1HE      TYR  53   8.003   6.824  -3.920
  388    HE2  TYR  53           2HE      TYR  53   7.637   9.780  -6.971
  389    HH   TYR  53           HH       TYR  53   8.865   9.937  -4.907
  390    H    SER  54           H        SER  54   4.054   4.439 -10.153
  391    HA   SER  54           HA       SER  54   1.273   4.139  -9.603
  392   1HB   SER  54          2HB       SER  54   2.187   4.715 -11.851
  393   2HB   SER  54          1HB       SER  54   2.826   3.070 -11.946
  394    HG   SER  54           HG       SER  54   0.100   3.726 -11.559
  395    H    MET  55           H        MET  55   4.024   2.086  -9.244
  396    HA   MET  55           HA       MET  55   2.623  -0.400  -9.500
  397   1HB   MET  55          2HB       MET  55   5.186   0.058  -7.973
  398   2HB   MET  55          1HB       MET  55   4.579  -1.463  -8.607
  399   1HG   MET  55          2HG       MET  55   5.695   0.863 -10.086
  400   2HG   MET  55          1HG       MET  55   6.346  -0.711  -9.966
  401   1HE   MET  55          1HE       MET  55   6.658  -0.832 -12.618
  402   2HE   MET  55          2HE       MET  55   5.906   0.753 -12.784
  403   3HE   MET  55          3HE       MET  55   5.347  -0.597 -13.772
  404    H    PHE  56           H        PHE  56   3.001   1.935  -7.073
  405    HA   PHE  56           HA       PHE  56   2.366   0.282  -4.812
  406   1HB   PHE  56          2HB       PHE  56   2.430   3.292  -5.149
  407   2HB   PHE  56          1HB       PHE  56   2.285   2.446  -3.614
  408    HD1  PHE  56           1HD      PHE  56   4.212   1.724  -2.474
  409    HD2  PHE  56           2HD      PHE  56   4.532   3.049  -6.488
  410    HE1  PHE  56           1HE      PHE  56   6.652   1.714  -2.272
  411    HE2  PHE  56           2HE      PHE  56   6.987   3.044  -6.305
  412    HZ   PHE  56           HZ       PHE  56   8.053   2.373  -4.189
  413    H    ALA  57           H        ALA  57   0.724   2.188  -7.178
  414    HA   ALA  57           HA       ALA  57  -1.660   2.735  -5.783
  415   1HB   ALA  57          1HB       ALA  57  -0.974   3.961  -7.802
  416   2HB   ALA  57          2HB       ALA  57  -2.596   3.295  -7.966
  417   3HB   ALA  57          3HB       ALA  57  -1.235   2.506  -8.761
  418    H    GLY  58           H        GLY  58  -3.039   1.286  -5.023
  419   1HA   GLY  58          2HA       GLY  58  -4.683  -0.316  -5.212
  420   2HA   GLY  58          1HA       GLY  58  -4.071  -0.710  -6.795
  421    H    LYS  59           H        LYS  59  -1.695  -0.587  -4.285
  422    HA   LYS  59           HA       LYS  59  -1.800  -3.486  -3.992
  423   1HB   LYS  59          2HB       LYS  59  -0.519  -2.830  -6.050
  424   2HB   LYS  59          1HB       LYS  59   0.582  -1.966  -5.007
  425   1HG   LYS  59          2HG       LYS  59   1.562  -4.061  -5.608
  426   2HG   LYS  59          1HG       LYS  59   1.147  -4.082  -3.894
  427   1HD   LYS  59          2HD       LYS  59   0.657  -6.166  -5.121
  428   2HD   LYS  59          1HD       LYS  59  -0.719  -5.464  -4.281
  429   1HE   LYS  59          2HE       LYS  59  -1.588  -4.571  -6.350
  430   2HE   LYS  59          1HE       LYS  59  -0.131  -5.005  -7.227
  431   1HZ   LYS  59          1HZ       LYS  59  -0.715  -7.320  -6.978
  432   2HZ   LYS  59          2HZ       LYS  59  -2.047  -6.504  -7.616
  433   3HZ   LYS  59          3HZ       LYS  59  -2.033  -6.940  -6.005
  434    H    ASP  60           H        ASP  60  -0.893  -4.126  -2.011
  435    HA   ASP  60           HA       ASP  60   0.126  -2.126  -0.190
  436   1HB   ASP  60          2HB       ASP  60  -1.004  -4.291   0.601
  437   2HB   ASP  60          1HB       ASP  60   0.403  -5.146  -0.010
  438    H    ALA  61           H        ALA  61   2.276  -1.730   0.196
  439    HA   ALA  61           HA       ALA  61   4.069  -2.915  -1.834
  440   1HB   ALA  61          1HB       ALA  61   4.064  -0.088  -0.842
  441   2HB   ALA  61          2HB       ALA  61   3.410  -0.645  -2.381
  442   3HB   ALA  61          3HB       ALA  61   5.142  -0.767  -2.060
  443    H    SER  62           H        SER  62   3.682  -3.487   1.148
  444    HA   SER  62           HA       SER  62   5.731  -2.314   2.543
  445   1HB   SER  62          2HB       SER  62   5.462  -4.256   4.153
  446   2HB   SER  62          1HB       SER  62   4.029  -3.301   3.790
  447    HG   SER  62           HG       SER  62   3.298  -4.863   2.470
  448    H    ARG  63           H        ARG  63   5.981  -5.364   0.725
  449    HA   ARG  63           HA       ARG  63   8.692  -5.826   1.511
  450   1HB   ARG  63          2HB       ARG  63   7.603  -7.759   0.666
  451   2HB   ARG  63          1HB       ARG  63   7.097  -6.900  -0.788
  452   1HG   ARG  63          2HG       ARG  63   9.334  -6.897  -1.656
  453   2HG   ARG  63          1HG       ARG  63   9.965  -7.565  -0.153
  454   1HD   ARG  63          2HD       ARG  63   9.039  -9.612  -0.526
  455   2HD   ARG  63          1HD       ARG  63   7.901  -9.036  -1.764
  456    HE   ARG  63           HE       ARG  63   9.966  -8.675  -3.151
  457   1HH1  ARG  63          1HH1      ARG  63  10.188 -11.043  -0.540
  458   2HH1  ARG  63          2HH1      ARG  63  11.174 -12.116  -1.433
  459   1HH2  ARG  63          1HH2      ARG  63  11.273 -10.082  -4.332
  460   2HH2  ARG  63          2HH2      ARG  63  11.830 -11.549  -3.649
  461    H    ALA  64           H        ALA  64   7.269  -3.972  -0.966
  462    HA   ALA  64           HA       ALA  64   9.636  -3.701  -2.550
  463   1HB   ALA  64          1HB       ALA  64   8.425  -1.845  -3.673
  464   2HB   ALA  64          2HB       ALA  64   7.110  -2.036  -2.505
  465   3HB   ALA  64          3HB       ALA  64   7.523  -3.348  -3.617
  466    H    LEU  65           H        LEU  65   7.943  -1.882  -0.186
  467    HA   LEU  65           HA       LEU  65   9.490   0.411   0.003
  468   1HB   LEU  65          2HB       LEU  65   7.845  -1.094   1.974
  469   2HB   LEU  65          1HB       LEU  65   8.559   0.450   2.339
  470    HG   LEU  65           HG       LEU  65   6.385  -0.117   0.284
  471   1HD1  LEU  65          1HD1      LEU  65   5.071   1.367   1.588
  472   2HD1  LEU  65          2HD1      LEU  65   6.367   1.539   2.771
  473   3HD1  LEU  65          3HD1      LEU  65   5.582  -0.026   2.534
  474   1HD2  LEU  65          1HD2      LEU  65   6.448   2.296  -0.123
  475   2HD2  LEU  65          2HD2      LEU  65   7.961   1.472  -0.587
  476   3HD2  LEU  65          3HD2      LEU  65   7.867   2.353   0.944
  477    H    GLY  66           H        GLY  66  10.051  -2.722   1.464
  478   1HA   GLY  66          2HA       GLY  66  12.156  -1.636   3.089
  479   2HA   GLY  66          1HA       GLY  66  11.780  -3.334   2.937
  480    H    LYS  67           H        LYS  67  12.018  -2.549  -0.155
  481    HA   LYS  67           HA       LYS  67  14.931  -2.957  -0.116
  482   1HB   LYS  67          2HB       LYS  67  13.018  -3.995  -2.207
  483   2HB   LYS  67          1HB       LYS  67  14.749  -4.287  -2.142
  484   1HG   LYS  67          2HG       LYS  67  14.259  -5.280   0.173
  485   2HG   LYS  67          1HG       LYS  67  12.586  -5.331  -0.385
  486   1HD   LYS  67          2HD       LYS  67  14.915  -6.655  -1.748
  487   2HD   LYS  67          1HD       LYS  67  13.728  -7.450  -0.732
  488   1HE   LYS  67          2HE       LYS  67  11.968  -6.913  -2.260
  489   2HE   LYS  67          1HE       LYS  67  13.072  -5.966  -3.258
  490   1HZ   LYS  67          1HZ       LYS  67  14.277  -7.926  -3.800
  491   2HZ   LYS  67          2HZ       LYS  67  12.634  -8.194  -4.124
  492   3HZ   LYS  67          3HZ       LYS  67  13.355  -8.871  -2.746
  493    H    MET  68           H        MET  68  12.807  -0.683  -0.613
  494    HA   MET  68           HA       MET  68  12.725   1.300  -1.720
  495   1HB   MET  68          2HB       MET  68  15.518   0.574  -2.656
  496   2HB   MET  68          1HB       MET  68  14.780   2.164  -2.813
  497   1HG   MET  68          2HG       MET  68  14.657   2.316  -0.360
  498   2HG   MET  68          1HG       MET  68  15.404   0.737  -0.253
  499   1HE   MET  68          1HE       MET  68  17.630   4.396  -2.003
  500   2HE   MET  68          2HE       MET  68  15.963   4.461  -1.431
  501   3HE   MET  68          3HE       MET  68  16.367   3.532  -2.878
  502    H    SER  69           H        SER  69  11.960  -1.268  -2.882
  503    HA   SER  69           HA       SER  69  12.312  -1.067  -5.679
  504   1HB   SER  69          2HB       SER  69  12.389  -3.319  -4.802
  505   2HB   SER  69          1HB       SER  69  10.932  -3.040  -3.832
  506    HG   SER  69           HG       SER  69  11.311  -3.699  -6.462
  507    H    LYS  70           H        LYS  70  10.735  -1.014  -6.922
  508    HA   LYS  70           HA       LYS  70   8.179   0.101  -6.231
  509   1HB   LYS  70          2HB       LYS  70   8.793   1.866  -8.019
  510   2HB   LYS  70          1HB       LYS  70   9.400   2.093  -6.374
  511   1HG   LYS  70          2HG       LYS  70  11.460   1.393  -6.849
  512   2HG   LYS  70          1HG       LYS  70  11.026   0.564  -8.316
  513   1HD   LYS  70          2HD       LYS  70  12.251   2.606  -8.884
  514   2HD   LYS  70          1HD       LYS  70  10.523   2.851  -9.221
  515   1HE   LYS  70          2HE       LYS  70  10.234   4.046  -7.141
  516   2HE   LYS  70          1HE       LYS  70  11.901   3.712  -6.676
  517   1HZ   LYS  70          1HZ       LYS  70  11.674   5.940  -7.489
  518   2HZ   LYS  70          2HZ       LYS  70  10.975   5.407  -8.916
  519   3HZ   LYS  70          3HZ       LYS  70  12.608   5.066  -8.599
  520    H    ASN  71           H        ASN  71   9.677  -2.294  -7.409
  521    HA   ASN  71           HA       ASN  71   8.504  -2.231 -10.080
  522   1HB   ASN  71          2HB       ASN  71   9.778  -4.279 -10.509
  523   2HB   ASN  71          1HB       ASN  71  10.808  -2.844 -10.356
  524   1HD2  ASN  71          1HD2      ASN  71   9.999  -5.950  -9.091
  525   2HD2  ASN  71          2HD2      ASN  71  11.192  -6.018  -7.843
  526    H    GLU  72           H        GLU  72   7.384  -3.970 -10.822
  527    HA   GLU  72           HA       GLU  72   5.224  -4.353  -9.159
  528   1HB   GLU  72          2HB       GLU  72   4.372  -5.822 -10.857
  529   2HB   GLU  72          1HB       GLU  72   4.966  -4.304 -11.524
  530   1HG   GLU  72          2HG       GLU  72   6.959  -5.454 -12.303
  531   2HG   GLU  72          1HG       GLU  72   6.400  -6.951 -11.554
  532    H    GLU  73           H        GLU  73   7.878  -6.599  -9.748
  533    HA   GLU  73           HA       GLU  73   6.519  -8.816  -8.581
  534   1HB   GLU  73          2HB       GLU  73   9.440  -8.411  -9.145
  535   2HB   GLU  73          1HB       GLU  73   8.729  -9.915  -8.590
  536   1HG   GLU  73          2HG       GLU  73   7.422 -10.107 -10.589
  537   2HG   GLU  73          1HG       GLU  73   7.963  -8.527 -11.147
  538    H    ASP  74           H        ASP  74   8.269  -6.171  -7.167
  539    HA   ASP  74           HA       ASP  74   8.453  -7.768  -4.736
  540   1HB   ASP  74          2HB       ASP  74   9.908  -5.236  -5.436
  541   2HB   ASP  74          1HB       ASP  74   9.952  -5.991  -3.845
  542    H    VAL  75           H        VAL  75   6.605  -5.349  -6.105
  543    HA   VAL  75           HA       VAL  75   5.789  -4.179  -3.609
  544    HB   VAL  75           HB       VAL  75   4.226  -4.208  -6.226
  545   1HG1  VAL  75          1HG1      VAL  75   3.234  -2.189  -5.364
  546   2HG1  VAL  75          2HG1      VAL  75   4.300  -2.274  -3.950
  547   3HG1  VAL  75          3HG1      VAL  75   3.061  -3.516  -4.183
  548   1HG2  VAL  75          1HG2      VAL  75   6.291  -2.241  -5.288
  549   2HG2  VAL  75          2HG2      VAL  75   5.265  -2.051  -6.714
  550   3HG2  VAL  75          3HG2      VAL  75   6.454  -3.359  -6.642
  551    H    SER  76           H        SER  76   4.453  -5.056  -2.152
  552    HA   SER  76           HA       SER  76   2.810  -7.307  -2.667
  553   1HB   SER  76          2HB       SER  76   5.608  -7.571  -1.777
  554   2HB   SER  76          1HB       SER  76   4.438  -8.824  -1.371
  555    HG   SER  76           HG       SER  76   4.574  -7.971  -4.018
  556    HA   PRO  77           HA       PRO  77   1.563  -6.083   1.503
  557   1HB   PRO  77          2HB       PRO  77  -0.153  -8.026   2.059
  558   2HB   PRO  77          1HB       PRO  77  -0.449  -6.931   0.704
  559   1HG   PRO  77          2HG       PRO  77   0.650  -9.708   0.696
  560   2HG   PRO  77          1HG       PRO  77  -0.566  -8.987  -0.377
  561   1HD   PRO  77          2HD       PRO  77   2.096  -9.276  -1.015
  562   2HD   PRO  77          1HD       PRO  77   1.021  -8.055  -1.729
  563    H    SER  78           H        SER  78   4.112  -7.709   1.504
  564    HA   SER  78           HA       SER  78   4.045  -8.483   4.275
  565   1HB   SER  78          2HB       SER  78   4.961 -10.756   3.773
  566   2HB   SER  78          1HB       SER  78   3.238 -10.485   3.446
  567    HG   SER  78           HG       SER  78   3.666 -10.376   1.310
  568    H    LEU  79           H        LEU  79   6.102  -9.211   5.053
  569    HA   LEU  79           HA       LEU  79   8.029  -7.368   3.859
  570   1HB   LEU  79          2HB       LEU  79   8.219  -8.596   6.605
  571   2HB   LEU  79          1HB       LEU  79   8.968  -7.156   5.956
  572    HG   LEU  79           HG       LEU  79   6.202  -7.521   6.987
  573   1HD1  LEU  79          1HD1      LEU  79   7.854  -6.891   8.590
  574   2HD1  LEU  79          2HD1      LEU  79   6.734  -5.557   8.311
  575   3HD1  LEU  79          3HD1      LEU  79   8.334  -5.513   7.598
  576   1HD2  LEU  79          1HD2      LEU  79   5.865  -6.455   4.903
  577   2HD2  LEU  79          2HD2      LEU  79   7.128  -5.256   5.227
  578   3HD2  LEU  79          3HD2      LEU  79   5.629  -5.260   6.178
  579    H    GLU  80           H        GLU  80   7.454  -9.959   2.919
  580    HA   GLU  80           HA       GLU  80   9.233 -11.922   3.872
  581   1HB   GLU  80          2HB       GLU  80   7.338 -12.576   2.810
  582   2HB   GLU  80          1HB       GLU  80   7.714 -11.741   1.278
  583   1HG   GLU  80          2HG       GLU  80   8.202 -14.036   0.936
  584   2HG   GLU  80          1HG       GLU  80   9.721 -13.164   1.309
  585    H    GLY  81           H        GLY  81  11.221 -12.186   3.545
  586   1HA   GLY  81          2HA       GLY  81  12.987 -12.630   2.327
  587   2HA   GLY  81          1HA       GLY  81  12.412 -11.648   0.981
  588    H    LEU  82           H        LEU  82  12.437 -10.590   4.299
  589    HA   LEU  82           HA       LEU  82  14.454  -8.589   3.709
  590   1HB   LEU  82          2HB       LEU  82  11.705  -8.274   4.816
  591   2HB   LEU  82          1HB       LEU  82  12.926  -7.022   4.803
  592    HG   LEU  82           HG       LEU  82  11.910  -8.325   2.280
  593   1HD1  LEU  82          1HD1      LEU  82  10.095  -7.289   3.416
  594   2HD1  LEU  82          2HD1      LEU  82  10.629  -6.306   2.019
  595   3HD1  LEU  82          3HD1      LEU  82  11.084  -5.832   3.688
  596   1HD2  LEU  82          1HD2      LEU  82  12.853  -6.447   1.240
  597   2HD2  LEU  82          2HD2      LEU  82  14.110  -7.133   2.301
  598   3HD2  LEU  82          3HD2      LEU  82  13.165  -5.709   2.793
  599    H    THR  83           H        THR  83  15.800  -8.430   5.299
  600    HA   THR  83           HA       THR  83  15.241  -9.548   7.930
  601    HB   THR  83           HB       THR  83  17.616  -8.841   8.394
  602    HG1  THR  83           1HG      THR  83  17.616  -8.203   5.592
  603   1HG2  THR  83          1HG2      THR  83  18.655 -10.538   6.947
  604   2HG2  THR  83          2HG2      THR  83  17.187 -10.559   5.957
  605   3HG2  THR  83          3HG2      THR  83  17.129 -11.090   7.643
  606    H    GLU  84           H        GLU  84  16.074  -7.972   9.813
  607    HA   GLU  84           HA       GLU  84  14.307  -5.839   9.986
  608   1HB   GLU  84          2HB       GLU  84  15.450  -6.927  11.879
  609   2HB   GLU  84          1HB       GLU  84  16.933  -6.111  11.431
  610   1HG   GLU  84          2HG       GLU  84  15.920  -4.856  13.226
  611   2HG   GLU  84          1HG       GLU  84  15.833  -3.942  11.741
  612    H    LYS  85           H        LYS  85  17.618  -5.884   8.903
  613    HA   LYS  85           HA       LYS  85  18.328  -3.202   8.644
  614   1HB   LYS  85          2HB       LYS  85  19.828  -5.029   8.132
  615   2HB   LYS  85          1HB       LYS  85  18.821  -5.522   6.780
  616   1HG   LYS  85          2HG       LYS  85  19.292  -3.198   5.836
  617   2HG   LYS  85          1HG       LYS  85  20.598  -3.122   7.022
  618   1HD   LYS  85          2HD       LYS  85  20.215  -5.262   4.948
  619   2HD   LYS  85          1HD       LYS  85  21.387  -3.949   4.827
  620   1HE   LYS  85          2HE       LYS  85  22.566  -4.762   6.777
  621   2HE   LYS  85          1HE       LYS  85  21.374  -6.032   7.030
  622   1HZ   LYS  85          1HZ       LYS  85  23.366  -6.877   5.965
  623   2HZ   LYS  85          2HZ       LYS  85  23.175  -5.818   4.658
  624   3HZ   LYS  85          3HZ       LYS  85  22.046  -7.028   4.941
  625    H    GLU  86           H        GLU  86  16.517  -5.300   6.484
  626    HA   GLU  86           HA       GLU  86  16.202  -3.448   4.386
  627   1HB   GLU  86          2HB       GLU  86  15.334  -6.133   5.168
  628   2HB   GLU  86          1HB       GLU  86  14.790  -5.526   3.650
  629   1HG   GLU  86          2HG       GLU  86  17.203  -5.203   3.024
  630   2HG   GLU  86          1HG       GLU  86  17.645  -5.881   4.585
  631    H    ILE  87           H        ILE  87  14.230  -4.982   6.819
  632    HA   ILE  87           HA       ILE  87  11.808  -3.835   6.157
  633    HB   ILE  87           HB       ILE  87  12.885  -4.799   8.783
  634   1HG1  ILE  87          2HG1      ILE  87  11.035  -6.086   6.774
  635   2HG1  ILE  87          1HG1      ILE  87  12.722  -6.489   7.034
  636   1HG2  ILE  87          1HG2      ILE  87  11.088  -3.229   9.110
  637   2HG2  ILE  87          2HG2      ILE  87  10.538  -4.892   9.499
  638   3HG2  ILE  87          3HG2      ILE  87  10.115  -4.128   7.939
  639   1HD1  ILE  87          1HD1      ILE  87  11.240  -8.109   8.082
  640   2HD1  ILE  87          2HD1      ILE  87  10.509  -6.817   9.042
  641   3HD1  ILE  87          3HD1      ILE  87  12.199  -7.250   9.292
  642    H    ASN  88           H        ASN  88  14.382  -2.622   8.321
  643    HA   ASN  88           HA       ASN  88  13.256  -0.331   9.307
  644   1HB   ASN  88          2HB       ASN  88  15.986  -1.122   8.609
  645   2HB   ASN  88          1HB       ASN  88  15.671   0.612   8.718
  646   1HD2  ASN  88          1HD2      ASN  88  15.603  -2.417  10.465
  647   2HD2  ASN  88          2HD2      ASN  88  15.587  -1.727  12.038
  648    H    THR  89           H        THR  89  14.447  -0.802   6.051
  649    HA   THR  89           HA       THR  89  14.311   1.867   5.255
  650    HB   THR  89           HB       THR  89  14.253  -0.752   3.787
  651    HG1  THR  89           1HG      THR  89  16.155   1.291   4.142
  652   1HG2  THR  89          1HG2      THR  89  14.424   2.011   2.598
  653   2HG2  THR  89          2HG2      THR  89  13.094   0.833   2.432
  654   3HG2  THR  89          3HG2      THR  89  14.674   0.478   1.732
  655    H    LEU  90           H        LEU  90  11.939  -0.677   5.338
  656    HA   LEU  90           HA       LEU  90   9.866   0.765   3.958
  657   1HB   LEU  90          2HB       LEU  90   9.321  -1.291   3.738
  658   2HB   LEU  90          1HB       LEU  90  10.289  -1.891   5.019
  659    HG   LEU  90           HG       LEU  90   8.211  -0.739   6.353
  660   1HD1  LEU  90          1HD1      LEU  90   7.041  -0.063   4.463
  661   2HD1  LEU  90          2HD1      LEU  90   6.149  -1.337   5.305
  662   3HD1  LEU  90          3HD1      LEU  90   7.043  -1.706   3.829
  663   1HD2  LEU  90          1HD2      LEU  90   7.289  -3.012   6.583
  664   2HD2  LEU  90          2HD2      LEU  90   9.025  -2.853   6.841
  665   3HD2  LEU  90          3HD2      LEU  90   8.429  -3.544   5.325
  666    H    ASN  91           H        ASN  91  10.808   0.043   7.209
  667    HA   ASN  91           HA       ASN  91   8.807   1.262   8.689
  668   1HB   ASN  91          2HB       ASN  91  11.746   0.958   9.120
  669   2HB   ASN  91          1HB       ASN  91  10.785   1.839  10.271
  670   1HD2  ASN  91          1HD2      ASN  91   9.402  -0.912   8.633
  671   2HD2  ASN  91          2HD2      ASN  91   9.463  -1.982   9.984
  672    H    ASP  92           H        ASP  92  11.506   2.750   6.993
  673    HA   ASP  92           HA       ASP  92  11.054   5.441   7.799
  674   1HB   ASP  92          2HB       ASP  92  13.150   4.852   6.729
  675   2HB   ASP  92          1HB       ASP  92  12.300   4.279   5.299
  676    H    TRP  93           H        TRP  93   9.887   3.494   5.138
  677    HA   TRP  93           HA       TRP  93   8.261   5.506   3.961
  678   1HB   TRP  93          2HB       TRP  93   8.305   2.540   3.768
  679   2HB   TRP  93          1HB       TRP  93   7.165   3.482   2.833
  680    HD1  TRP  93           HD       TRP  93  10.559   2.055   2.651
  681    HE1  TRP  93           1HE      TRP  93  11.875   3.015   0.691
  682    HE3  TRP  93           3HE      TRP  93   7.553   6.029   1.522
  683    HZ2  TRP  93           2HZ      TRP  93  11.691   5.167  -1.113
  684    HZ3  TRP  93           3HZ      TRP  93   8.199   7.491  -0.346
  685    HH2  TRP  93           HH       TRP  93  10.221   7.072  -1.631
  686    H    GLU  94           H        GLU  94   7.698   3.236   6.490
  687    HA   GLU  94           HA       GLU  94   4.917   3.830   6.770
  688   1HB   GLU  94          2HB       GLU  94   6.894   2.663   8.722
  689   2HB   GLU  94          1HB       GLU  94   5.154   2.722   8.972
  690   1HG   GLU  94          2HG       GLU  94   4.819   1.397   7.017
  691   2HG   GLU  94          1HG       GLU  94   6.565   1.262   6.759
  692    H    THR  95           H        THR  95   7.215   5.831   6.905
  693    HA   THR  95           HA       THR  95   6.119   7.426   9.124
  694    HB   THR  95           HB       THR  95   8.874   7.602   7.882
  695    HG1  THR  95           1HG      THR  95   8.736   5.726   9.123
  696   1HG2  THR  95          1HG2      THR  95   9.392   9.069   9.812
  697   2HG2  THR  95          2HG2      THR  95   7.718   8.931  10.351
  698   3HG2  THR  95          3HG2      THR  95   8.089   9.734   8.826
  699    H    LYS  96           H        LYS  96   7.195   7.246   5.768
  700    HA   LYS  96           HA       LYS  96   6.939  10.046   5.232
  701   1HB   LYS  96          2HB       LYS  96   7.316   7.671   3.400
  702   2HB   LYS  96          1HB       LYS  96   7.490   9.360   2.937
  703   1HG   LYS  96          2HG       LYS  96   9.124   8.025   5.064
  704   2HG   LYS  96          1HG       LYS  96   9.677   8.165   3.411
  705   1HD   LYS  96          2HD       LYS  96   9.578  10.609   3.593
  706   2HD   LYS  96          1HD       LYS  96   8.948  10.468   5.233
  707   1HE   LYS  96          2HE       LYS  96  11.349  10.968   5.200
  708   2HE   LYS  96          1HE       LYS  96  10.995   9.425   5.970
  709   1HZ   LYS  96          1HZ       LYS  96  11.932   9.712   3.155
  710   2HZ   LYS  96          2HZ       LYS  96  11.775   8.261   4.058
  711   3HZ   LYS  96          3HZ       LYS  96  12.900   9.396   4.492
  712    H    PHE  97           H        PHE  97   5.239   7.087   4.498
  713    HA   PHE  97           HA       PHE  97   3.081   8.351   3.171
  714   1HB   PHE  97          2HB       PHE  97   3.630   5.660   4.276
  715   2HB   PHE  97          1HB       PHE  97   2.033   6.040   3.713
  716    HD1  PHE  97           1HD      PHE  97   1.606   6.257   1.324
  717    HD2  PHE  97           2HD      PHE  97   5.527   5.449   2.749
  718    HE1  PHE  97           1HE      PHE  97   2.290   5.617  -0.945
  719    HE2  PHE  97           2HE      PHE  97   6.218   4.813   0.470
  720    HZ   PHE  97           HZ       PHE  97   4.599   4.897  -1.376
  721    H    GLU  98           H        GLU  98   3.761   7.244   6.396
  722    HA   GLU  98           HA       GLU  98   1.134   7.258   7.421
  723   1HB   GLU  98          2HB       GLU  98   3.634   6.444   8.250
  724   2HB   GLU  98          1HB       GLU  98   3.231   7.725   9.378
  725   1HG   GLU  98          2HG       GLU  98   1.570   5.268   8.819
  726   2HG   GLU  98          1HG       GLU  98   2.624   5.505  10.199
  727    H    ALA  99           H        ALA  99   3.461   9.832   6.986
  728    HA   ALA  99           HA       ALA  99   1.984  11.600   8.784
  729   1HB   ALA  99          1HB       ALA  99   3.853  13.088   8.460
  730   2HB   ALA  99          2HB       ALA  99   4.476  12.009   7.230
  731   3HB   ALA  99          3HB       ALA  99   4.460  11.478   8.930
  732    H    LYS 100           H        LYS 100   1.605  10.578   5.751
  733    HA   LYS 100           HA       LYS 100   1.215  13.293   4.751
  734   1HB   LYS 100          2HB       LYS 100   3.238  11.993   3.927
  735   2HB   LYS 100          1HB       LYS 100   2.092  10.971   3.103
  736   1HG   LYS 100          2HG       LYS 100   2.862  12.474   1.485
  737   2HG   LYS 100          1HG       LYS 100   1.250  13.017   2.010
  738   1HD   LYS 100          2HD       LYS 100   3.596  14.104   3.380
  739   2HD   LYS 100          1HD       LYS 100   3.305  14.754   1.755
  740   1HE   LYS 100          2HE       LYS 100   1.520  14.973   4.251
  741   2HE   LYS 100          1HE       LYS 100   2.357  16.218   3.385
  742   1HZ   LYS 100          1HZ       LYS 100   0.114  14.674   2.183
  743   2HZ   LYS 100          2HZ       LYS 100   0.953  15.932   1.486
  744   3HZ   LYS 100          3HZ       LYS 100   0.018  16.218   2.839
  745    H    TYR 101           H        TYR 101   0.247   9.914   4.701
  746    HA   TYR 101           HA       TYR 101  -2.289  10.674   3.431
  747   1HB   TYR 101          2HB       TYR 101  -0.877   8.007   3.307
  748   2HB   TYR 101          1HB       TYR 101  -2.317   8.494   2.423
  749    HD1  TYR 101           1HD      TYR 101   1.203   8.250   2.383
  750    HD2  TYR 101           2HD      TYR 101  -2.025  10.419   0.690
  751    HE1  TYR 101           1HE      TYR 101   2.665   8.965   0.551
  752    HE2  TYR 101           2HE      TYR 101  -0.570  11.148  -1.162
  753    HH   TYR 101           HH       TYR 101   1.897  11.437  -1.574
  754    HA   PRO 102           HA       PRO 102  -3.969   9.028   7.190
  755   1HB   PRO 102          2HB       PRO 102  -6.525   8.910   6.515
  756   2HB   PRO 102          1HB       PRO 102  -5.702  10.477   6.618
  757   1HG   PRO 102          2HG       PRO 102  -6.277   8.791   4.212
  758   2HG   PRO 102          1HG       PRO 102  -6.581  10.520   4.421
  759   1HD   PRO 102          2HD       PRO 102  -4.366   9.590   3.143
  760   2HD   PRO 102          1HD       PRO 102  -4.367  11.069   4.140
  761    H    VAL 103           H        VAL 103  -4.320   7.058   8.014
  762    HA   VAL 103           HA       VAL 103  -4.508   4.737   6.306
  763    HB   VAL 103           HB       VAL 103  -4.873   4.881   9.332
  764   1HG1  VAL 103          1HG1      VAL 103  -4.490   2.435   9.281
  765   2HG1  VAL 103          2HG1      VAL 103  -4.484   2.502   7.514
  766   3HG1  VAL 103          3HG1      VAL 103  -5.944   2.919   8.408
  767   1HG2  VAL 103          1HG2      VAL 103  -2.598   5.516   8.662
  768   2HG2  VAL 103          2HG2      VAL 103  -2.469   4.018   7.729
  769   3HG2  VAL 103          3HG2      VAL 103  -2.611   3.951   9.475
  770    H    VAL 104           H        VAL 104  -6.317   4.691   5.216
  771    HA   VAL 104           HA       VAL 104  -8.763   5.539   6.437
  772    HB   VAL 104           HB       VAL 104  -9.864   4.942   4.233
  773   1HG1  VAL 104          1HG1      VAL 104  -8.828   6.797   3.004
  774   2HG1  VAL 104          2HG1      VAL 104  -7.458   6.758   4.112
  775   3HG1  VAL 104          3HG1      VAL 104  -9.058   7.203   4.708
  776   1HG2  VAL 104          1HG2      VAL 104  -8.407   4.481   2.319
  777   2HG2  VAL 104          2HG2      VAL 104  -8.267   3.196   3.529
  778   3HG2  VAL 104          3HG2      VAL 104  -7.015   4.432   3.397
  779    H    GLY 105           H        GLY 105  -7.485   2.445   5.348
  780   1HA   GLY 105          2HA       GLY 105  -9.194   1.164   7.262
  781   2HA   GLY 105          1HA       GLY 105  -9.605   0.811   5.591
  782    H    ARG 106           H        ARG 106  -9.027  -1.223   5.403
  783    HA   ARG 106           HA       ARG 106  -6.225  -1.960   5.979
  784   1HB   ARG 106          2HB       ARG 106  -7.035  -4.173   6.625
  785   2HB   ARG 106          1HB       ARG 106  -7.408  -3.014   7.837
  786   1HG   ARG 106          2HG       ARG 106  -9.698  -2.916   7.091
  787   2HG   ARG 106          1HG       ARG 106  -9.296  -3.985   5.741
  788   1HD   ARG 106          2HD       ARG 106 -10.294  -5.240   7.547
  789   2HD   ARG 106          1HD       ARG 106  -8.591  -5.633   7.183
  790    HE   ARG 106           HE       ARG 106  -8.769  -3.724   9.263
  791   1HH1  ARG 106          1HH1      ARG 106  -9.158  -7.232   8.707
  792   2HH1  ARG 106          2HH1      ARG 106  -8.847  -7.647  10.318
  793   1HH2  ARG 106          1HH2      ARG 106  -8.366  -4.355  11.524
  794   2HH2  ARG 106          2HH2      ARG 106  -8.413  -6.005  11.933
  795    H    VAL 107           H        VAL 107  -5.479  -3.668   4.805
  796    HA   VAL 107           HA       VAL 107  -7.328  -4.706   2.855
  797    HB   VAL 107           HB       VAL 107  -5.363  -3.547   1.779
  798   1HG1  VAL 107          1HG1      VAL 107  -3.818  -5.724   3.078
  799   2HG1  VAL 107          2HG1      VAL 107  -3.687  -3.966   3.357
  800   3HG1  VAL 107          3HG1      VAL 107  -3.205  -4.662   1.800
  801   1HG2  VAL 107          1HG2      VAL 107  -4.894  -5.416   0.235
  802   2HG2  VAL 107          2HG2      VAL 107  -6.615  -5.250   0.710
  803   3HG2  VAL 107          3HG2      VAL 107  -5.622  -6.473   1.473
  804    H    VAL 108           H        VAL 108  -7.612  -6.760   2.828
  805    HA   VAL 108           HA       VAL 108  -6.331  -8.329   4.919
  806    HB   VAL 108           HB       VAL 108  -8.531  -9.478   5.215
  807   1HG1  VAL 108          1HG1      VAL 108  -7.872  -7.497   6.500
  808   2HG1  VAL 108          2HG1      VAL 108  -9.663  -7.497   6.169
  809   3HG1  VAL 108          3HG1      VAL 108  -8.580  -6.523   5.206
  810   1HG2  VAL 108          1HG2      VAL 108 -10.491  -8.545   4.242
  811   2HG2  VAL 108          2HG2      VAL 108  -9.369  -8.905   2.878
  812   3HG2  VAL 108          3HG2      VAL 108  -9.507  -7.263   3.581
  813    H    SER 109           H        SER 109  -5.948 -10.460   4.460
  814    HA   SER 109           HA       SER 109  -6.366 -11.306   1.740
  815   1HB   SER 109          2HB       SER 109  -4.303 -10.065   1.718
  816   2HB   SER 109          1HB       SER 109  -3.727 -10.952   3.125
  817    HG   SER 109           HG       SER 109  -4.327 -12.065   0.559
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1 -13.319  -6.983  -7.628
    2   2H    MET   1          2HT       MET   1 -14.902  -6.468  -7.878
    3   3H    MET   1          3HT       MET   1 -14.523  -8.110  -7.958
    4    HA   MET   1           HA       MET   1 -15.640  -7.508  -5.887
    5   1HB   MET   1          2HB       MET   1 -12.739  -8.339  -5.635
    6   2HB   MET   1          1HB       MET   1 -13.909  -8.474  -4.332
    7   1HG   MET   1          2HG       MET   1 -13.526 -10.616  -5.367
    8   2HG   MET   1          1HG       MET   1 -15.168 -10.093  -5.694
    9   1HE   MET   1          1HE       MET   1 -15.266 -12.023  -7.561
   10   2HE   MET   1          2HE       MET   1 -13.588 -12.450  -7.232
   11   3HE   MET   1          3HE       MET   1 -14.112 -12.156  -8.889
   12    H    GLY   2           H        GLY   2 -14.973  -6.629  -3.594
   13   1HA   GLY   2          2HA       GLY   2 -13.368  -4.980  -2.612
   14   2HA   GLY   2          1HA       GLY   2 -13.709  -4.012  -4.040
   15    H    HIS   3           H        HIS   3 -14.099  -3.197  -1.360
   16    HA   HIS   3           HA       HIS   3 -17.017  -2.829  -1.380
   17   1HB   HIS   3          2HB       HIS   3 -15.205  -3.007   1.036
   18   2HB   HIS   3          1HB       HIS   3 -16.906  -2.592   1.087
   19    HD1  HIS   3           1HD      HIS   3 -18.523  -4.515   1.231
   20    HD2  HIS   3           2HD      HIS   3 -14.654  -5.738   0.366
   21    HE1  HIS   3           1HE      HIS   3 -18.533  -6.986   1.480
   22    HE2  HIS   3           2HE      HIS   3 -16.108  -7.581   1.384
   23    H    HIS   4           H        HIS   4 -17.676  -0.796  -0.352
   24    HA   HIS   4           HA       HIS   4 -15.659   1.203   0.125
   25   1HB   HIS   4          2HB       HIS   4 -17.848   1.651  -1.936
   26   2HB   HIS   4          1HB       HIS   4 -16.974   2.962  -1.158
   27    HD1  HIS   4           1HD      HIS   4 -14.520   3.329  -1.877
   28    HD2  HIS   4           2HD      HIS   4 -16.458   0.268  -3.894
   29    HE1  HIS   4           1HE      HIS   4 -13.029   2.743  -3.787
   30    HE2  HIS   4           2HE      HIS   4 -14.049   0.616  -4.654
   31    H    HIS   5           H        HIS   5 -16.229   0.842   2.190
   32    HA   HIS   5           HA       HIS   5 -18.900   1.801   2.941
   33   1HB   HIS   5          2HB       HIS   5 -18.381  -0.585   3.462
   34   2HB   HIS   5          1HB       HIS   5 -17.027  -0.051   4.444
   35    HD1  HIS   5           1HD      HIS   5 -17.559  -0.049   6.822
   36    HD2  HIS   5           2HD      HIS   5 -20.915   0.618   4.492
   37    HE1  HIS   5           1HE      HIS   5 -19.499   0.096   8.440
   38    HE2  HIS   5           2HE      HIS   5 -21.367   0.921   6.984
   39    H    HIS   6           H        HIS   6 -18.570   3.902   3.274
   40    HA   HIS   6           HA       HIS   6 -16.043   4.895   4.213
   41   1HB   HIS   6          2HB       HIS   6 -18.580   6.392   3.534
   42   2HB   HIS   6          1HB       HIS   6 -17.028   7.132   3.899
   43    HD1  HIS   6           1HD      HIS   6 -18.980   5.627   1.163
   44    HD2  HIS   6           2HD      HIS   6 -15.016   6.652   1.865
   45    HE1  HIS   6           1HE      HIS   6 -17.875   5.598  -1.073
   46    HE2  HIS   6           2HE      HIS   6 -15.604   6.517  -0.654
   47    H    HIS   7           H        HIS   7 -15.974   6.632   5.863
   48    HA   HIS   7           HA       HIS   7 -16.192   7.467   7.947
   49   1HB   HIS   7          2HB       HIS   7 -18.957   6.221   7.939
   50   2HB   HIS   7          1HB       HIS   7 -18.368   7.360   9.144
   51    HD1  HIS   7           1HD      HIS   7 -20.174   7.204   6.024
   52    HD2  HIS   7           2HD      HIS   7 -17.716   9.985   7.882
   53    HE1  HIS   7           1HE      HIS   7 -20.625   9.364   4.873
   54    HE2  HIS   7           2HE      HIS   7 -18.818  10.852   5.731
   55    H    HIS   8           H        HIS   8 -15.607   4.505   7.270
   56    HA   HIS   8           HA       HIS   8 -15.048   3.743  10.020
   57   1HB   HIS   8          2HB       HIS   8 -16.405   1.934   7.992
   58   2HB   HIS   8          1HB       HIS   8 -15.686   1.368   9.489
   59    HD1  HIS   8           1HD      HIS   8 -17.134   1.490  11.551
   60    HD2  HIS   8           2HD      HIS   8 -18.782   3.490   8.320
   61    HE1  HIS   8           1HE      HIS   8 -19.500   1.998  12.213
   62    HE2  HIS   8           2HE      HIS   8 -20.372   3.436  10.344
   63    H    LEU   9           H        LEU   9 -13.469   1.803   9.887
   64    HA   LEU   9           HA       LEU   9 -11.611   2.502   7.829
   65   1HB   LEU   9          2HB       LEU   9  -9.960   1.076   8.935
   66   2HB   LEU   9          1HB       LEU   9 -10.693   2.148  10.086
   67    HG   LEU   9           HG       LEU   9 -10.299   0.135  11.181
   68   1HD1  LEU   9          1HD1      LEU   9 -13.208   0.105  10.539
   69   2HD1  LEU   9          2HD1      LEU   9 -12.395   1.012  11.814
   70   3HD1  LEU   9          3HD1      LEU   9 -12.438  -0.752  11.875
   71   1HD2  LEU   9          1HD2      LEU   9 -11.057  -2.075  10.439
   72   2HD2  LEU   9          2HD2      LEU   9  -9.893  -1.340   9.331
   73   3HD2  LEU   9          3HD2      LEU   9 -11.609  -1.358   8.925
   74    H    GLU  10           H        GLU  10 -11.011   1.354   6.150
   75    HA   GLU  10           HA       GLU  10 -12.922  -0.651   5.304
   76   1HB   GLU  10          2HB       GLU  10 -10.894   1.021   3.896
   77   2HB   GLU  10          1HB       GLU  10 -11.668  -0.343   3.103
   78   1HG   GLU  10          2HG       GLU  10 -13.165   1.900   4.390
   79   2HG   GLU  10          1HG       GLU  10 -12.723   1.874   2.680
   80    H    GLU  11           H        GLU  11 -12.510  -2.785   4.966
   81    HA   GLU  11           HA       GLU  11  -9.833  -3.618   5.266
   82   1HB   GLU  11          2HB       GLU  11 -11.348  -4.843   6.611
   83   2HB   GLU  11          1HB       GLU  11 -12.459  -5.057   5.263
   84   1HG   GLU  11          2HG       GLU  11 -10.987  -6.429   4.123
   85   2HG   GLU  11          1HG       GLU  11  -9.660  -6.171   5.194
   86    H    PHE  12           H        PHE  12  -8.756  -3.760   3.573
   87    HA   PHE  12           HA       PHE  12 -10.049  -4.382   1.043
   88   1HB   PHE  12          2HB       PHE  12  -7.485  -3.146   1.839
   89   2HB   PHE  12          1HB       PHE  12  -7.836  -3.905   0.295
   90    HD1  PHE  12           1HD      PHE  12  -9.122  -2.696  -1.355
   91    HD2  PHE  12           2HD      PHE  12  -8.773  -1.104   2.583
   92    HE1  PHE  12           1HE      PHE  12 -10.122  -0.592  -2.115
   93    HE2  PHE  12           2HE      PHE  12  -9.772   0.992   1.822
   94    HZ   PHE  12           HZ       PHE  12 -10.452   1.257  -0.525
   95    H    THR  13           H        THR  13  -9.572  -6.269   0.136
   96    HA   THR  13           HA       THR  13  -7.458  -7.815   1.392
   97    HB   THR  13           HB       THR  13  -9.263  -8.674  -0.904
   98    HG1  THR  13           1HG      THR  13 -10.194  -8.053   1.321
   99   1HG2  THR  13          1HG2      THR  13  -7.664 -10.136   1.151
  100   2HG2  THR  13          2HG2      THR  13  -7.225  -9.899  -0.544
  101   3HG2  THR  13          3HG2      THR  13  -8.636 -10.910  -0.125
  102    H    ALA  14           H        ALA  14  -5.562  -8.372   0.198
  103    HA   ALA  14           HA       ALA  14  -4.518  -6.344  -1.351
  104   1HB   ALA  14          1HB       ALA  14  -3.565  -9.203  -1.350
  105   2HB   ALA  14          2HB       ALA  14  -3.193  -7.971  -0.131
  106   3HB   ALA  14          3HB       ALA  14  -2.644  -7.758  -1.792
  107    H    GLU  15           H        GLU  15  -5.835  -9.417  -2.543
  108    HA   GLU  15           HA       GLU  15  -5.385  -8.989  -5.276
  109   1HB   GLU  15          2HB       GLU  15  -7.709 -10.396  -3.977
  110   2HB   GLU  15          1HB       GLU  15  -7.315 -10.488  -5.680
  111   1HG   GLU  15          2HG       GLU  15  -5.172 -11.529  -5.108
  112   2HG   GLU  15          1HG       GLU  15  -5.604 -11.461  -3.400
  113    H    GLN  16           H        GLN  16  -7.874  -7.758  -3.173
  114    HA   GLN  16           HA       GLN  16  -9.486  -6.692  -5.310
  115   1HB   GLN  16          2HB       GLN  16  -9.631  -6.343  -2.311
  116   2HB   GLN  16          1HB       GLN  16 -10.565  -5.366  -3.415
  117   1HG   GLN  16          2HG       GLN  16 -12.007  -7.040  -2.551
  118   2HG   GLN  16          1HG       GLN  16 -11.666  -7.418  -4.221
  119   1HE2  GLN  16          1HE2      GLN  16  -9.191  -8.808  -3.748
  120   2HE2  GLN  16          2HE2      GLN  16  -9.604 -10.272  -2.917
  121    H    LEU  17           H        LEU  17  -7.025  -5.550  -3.107
  122    HA   LEU  17           HA       LEU  17  -7.346  -2.803  -3.556
  123   1HB   LEU  17          2HB       LEU  17  -6.041  -3.769  -1.722
  124   2HB   LEU  17          1HB       LEU  17  -4.810  -4.273  -2.862
  125    HG   LEU  17           HG       LEU  17  -4.734  -1.806  -3.534
  126   1HD1  LEU  17          1HD1      LEU  17  -5.283  -0.242  -1.761
  127   2HD1  LEU  17          2HD1      LEU  17  -6.024  -1.574  -0.867
  128   3HD1  LEU  17          3HD1      LEU  17  -6.703  -1.069  -2.418
  129   1HD2  LEU  17          1HD2      LEU  17  -3.164  -1.286  -1.806
  130   2HD2  LEU  17          2HD2      LEU  17  -2.951  -2.918  -2.471
  131   3HD2  LEU  17          3HD2      LEU  17  -3.706  -2.694  -0.871
  132    H    SER  18           H        SER  18  -5.634  -5.309  -5.261
  133    HA   SER  18           HA       SER  18  -3.986  -3.703  -6.873
  134   1HB   SER  18          2HB       SER  18  -5.090  -6.453  -7.435
  135   2HB   SER  18          1HB       SER  18  -3.690  -5.720  -8.227
  136    HG   SER  18           HG       SER  18  -3.533  -5.608  -5.517
  137    H    GLN  19           H        GLN  19  -7.275  -3.909  -6.874
  138    HA   GLN  19           HA       GLN  19  -7.718  -3.512  -9.724
  139   1HB   GLN  19          2HB       GLN  19  -9.620  -3.230  -7.391
  140   2HB   GLN  19          1HB       GLN  19 -10.056  -3.251  -9.092
  141   1HG   GLN  19          2HG       GLN  19  -9.304  -5.568  -9.270
  142   2HG   GLN  19          1HG       GLN  19  -8.818  -5.544  -7.579
  143   1HE2  GLN  19          1HE2      GLN  19 -11.655  -3.937  -8.681
  144   2HE2  GLN  19          2HE2      GLN  19 -12.819  -4.956  -7.972
  145    H    TYR  20           H        TYR  20  -7.004  -1.721  -6.933
  146    HA   TYR  20           HA       TYR  20  -8.032   0.828  -7.910
  147   1HB   TYR  20          2HB       TYR  20  -6.827  -0.120  -5.327
  148   2HB   TYR  20          1HB       TYR  20  -7.281   1.550  -5.549
  149    HD1  TYR  20           1HD      TYR  20  -8.421  -1.836  -4.887
  150    HD2  TYR  20           2HD      TYR  20  -9.718   2.102  -5.789
  151    HE1  TYR  20           1HE      TYR  20 -10.692  -2.422  -4.140
  152    HE2  TYR  20           2HE      TYR  20 -11.983   1.530  -5.055
  153    HH   TYR  20           HH       TYR  20 -12.670  -1.309  -3.323
  154    H    ASN  21           H        ASN  21  -5.784  -0.687  -9.041
  155    HA   ASN  21           HA       ASN  21  -3.203   0.226  -8.306
  156   1HB   ASN  21          2HB       ASN  21  -2.422  -0.640 -10.357
  157   2HB   ASN  21          1HB       ASN  21  -3.526  -1.770  -9.601
  158   1HD2  ASN  21          1HD2      ASN  21  -5.418  -2.344 -10.605
  159   2HD2  ASN  21          2HD2      ASN  21  -5.879  -1.786 -12.172
  160    H    GLY  22           H        GLY  22  -5.490   2.171  -9.603
  161   1HA   GLY  22          2HA       GLY  22  -5.145   4.468  -9.864
  162   2HA   GLY  22          1HA       GLY  22  -3.429   4.161  -9.981
  163    H    THR  23           H        THR  23  -4.025   2.142 -12.265
  164    HA   THR  23           HA       THR  23  -4.282   4.324 -14.211
  165    HB   THR  23           HB       THR  23  -2.194   2.948 -14.271
  166    HG1  THR  23           1HG      THR  23  -3.837   3.628 -16.319
  167   1HG2  THR  23          1HG2      THR  23  -3.109   0.732 -13.864
  168   2HG2  THR  23          2HG2      THR  23  -2.272   0.743 -15.419
  169   3HG2  THR  23          3HG2      THR  23  -4.032   0.813 -15.363
  170    H    ASP  24           H        ASP  24  -6.311   2.691 -12.835
  171    HA   ASP  24           HA       ASP  24  -7.696   1.954 -15.147
  172   1HB   ASP  24          2HB       ASP  24  -8.288   0.928 -12.928
  173   2HB   ASP  24          1HB       ASP  24  -8.875   2.496 -12.387
  174    H    GLU  25           H        GLU  25 -10.201   3.472 -14.964
  175    HA   GLU  25           HA       GLU  25  -9.057   6.058 -15.239
  176   1HB   GLU  25          2HB       GLU  25 -11.060   4.788 -17.119
  177   2HB   GLU  25          1HB       GLU  25 -10.422   6.429 -17.217
  178   1HG   GLU  25          2HG       GLU  25  -8.160   5.493 -17.507
  179   2HG   GLU  25          1HG       GLU  25  -8.864   3.883 -17.532
  180    H    SER  26           H        SER  26  -9.606   6.137 -13.266
  181    HA   SER  26           HA       SER  26 -10.858   7.264 -11.788
  182   1HB   SER  26          2HB       SER  26 -13.031   6.848 -13.729
  183   2HB   SER  26          1HB       SER  26 -13.355   7.435 -12.112
  184    HG   SER  26           HG       SER  26 -11.558   8.543 -14.031
  185    H    LYS  27           H        LYS  27 -10.109   5.541 -10.541
  186    HA   LYS  27           HA       LYS  27 -12.372   4.518  -9.061
  187   1HB   LYS  27          2HB       LYS  27  -9.760   3.011  -9.498
  188   2HB   LYS  27          1HB       LYS  27 -11.035   2.530  -8.400
  189   1HG   LYS  27          2HG       LYS  27 -12.511   2.321 -10.449
  190   2HG   LYS  27          1HG       LYS  27 -11.049   2.535 -11.385
  191   1HD   LYS  27          2HD       LYS  27  -9.987   0.631 -10.267
  192   2HD   LYS  27          1HD       LYS  27 -11.460   0.360  -9.338
  193   1HE   LYS  27          2HE       LYS  27 -11.256   0.344 -12.297
  194   2HE   LYS  27          1HE       LYS  27 -11.210  -1.147 -11.334
  195   1HZ   LYS  27          1HZ       LYS  27 -13.419  -0.827 -12.188
  196   2HZ   LYS  27          2HZ       LYS  27 -13.466   0.774 -11.683
  197   3HZ   LYS  27          3HZ       LYS  27 -13.500  -0.459 -10.543
  198    HA   PRO  28           HA       PRO  28 -10.037   6.762  -5.971
  199   1HB   PRO  28          2HB       PRO  28 -10.682   4.568  -4.076
  200   2HB   PRO  28          1HB       PRO  28 -11.017   6.298  -3.920
  201   1HG   PRO  28          2HG       PRO  28 -13.015   4.645  -4.445
  202   2HG   PRO  28          1HG       PRO  28 -12.895   6.190  -5.301
  203   1HD   PRO  28          2HD       PRO  28 -12.108   3.456  -6.260
  204   2HD   PRO  28          1HD       PRO  28 -13.036   4.713  -7.104
  205    H    ILE  29           H        ILE  29  -7.990   6.587  -4.858
  206    HA   ILE  29           HA       ILE  29  -6.538   4.240  -5.853
  207    HB   ILE  29           HB       ILE  29  -5.319   7.014  -5.393
  208   1HG1  ILE  29          2HG1      ILE  29  -5.145   7.130  -7.910
  209   2HG1  ILE  29          1HG1      ILE  29  -6.314   5.829  -8.018
  210   1HG2  ILE  29          1HG2      ILE  29  -4.377   4.645  -6.949
  211   2HG2  ILE  29          2HG2      ILE  29  -3.821   5.057  -5.347
  212   3HG2  ILE  29          3HG2      ILE  29  -3.494   6.148  -6.715
  213   1HD1  ILE  29          1HD1      ILE  29  -6.728   8.598  -6.920
  214   2HD1  ILE  29          2HD1      ILE  29  -7.954   7.323  -6.905
  215   3HD1  ILE  29          3HD1      ILE  29  -7.333   7.948  -8.440
  216    H    TYR  30           H        TYR  30  -5.098   3.101  -4.326
  217    HA   TYR  30           HA       TYR  30  -4.935   4.173  -1.661
  218   1HB   TYR  30          2HB       TYR  30  -6.376   1.579  -2.266
  219   2HB   TYR  30          1HB       TYR  30  -5.870   2.100  -0.674
  220    HD1  TYR  30           1HD      TYR  30  -6.927   4.290   0.201
  221    HD2  TYR  30           2HD      TYR  30  -8.477   2.081  -3.079
  222    HE1  TYR  30           1HE      TYR  30  -9.117   5.354   0.524
  223    HE2  TYR  30           2HE      TYR  30 -10.665   3.137  -2.764
  224    HH   TYR  30           HH       TYR  30 -11.081   5.858  -0.803
  225    H    VAL  31           H        VAL  31  -3.038   3.575  -0.887
  226    HA   VAL  31           HA       VAL  31  -1.748   1.270  -2.135
  227    HB   VAL  31           HB       VAL  31  -0.498   3.308  -2.741
  228   1HG1  VAL  31          1HG1      VAL  31  -0.243   3.828   0.169
  229   2HG1  VAL  31          2HG1      VAL  31  -1.153   4.766  -1.061
  230   3HG1  VAL  31          3HG1      VAL  31   0.622   4.616  -1.163
  231   1HG2  VAL  31          1HG2      VAL  31   0.903   1.716  -0.665
  232   2HG2  VAL  31          2HG2      VAL  31   1.642   2.854  -1.819
  233   3HG2  VAL  31          3HG2      VAL  31   0.774   1.394  -2.419
  234    H    ALA  32           H        ALA  32  -0.954  -0.296  -0.835
  235    HA   ALA  32           HA       ALA  32  -1.561   0.093   1.993
  236   1HB   ALA  32          1HB       ALA  32  -1.794  -2.311   2.170
  237   2HB   ALA  32          2HB       ALA  32  -1.364  -2.506   0.472
  238   3HB   ALA  32          3HB       ALA  32  -2.855  -1.680   0.914
  239    H    ILE  33           H        ILE  33  -0.040   0.118   3.350
  240    HA   ILE  33           HA       ILE  33   2.602  -0.931   2.604
  241    HB   ILE  33           HB       ILE  33   1.887   1.466   4.283
  242   1HG1  ILE  33          2HG1      ILE  33   3.385   1.223   1.674
  243   2HG1  ILE  33          1HG1      ILE  33   1.801   1.946   1.921
  244   1HG2  ILE  33          1HG2      ILE  33   4.296   1.815   4.569
  245   2HG2  ILE  33          2HG2      ILE  33   4.582   0.221   3.857
  246   3HG2  ILE  33          3HG2      ILE  33   3.685   0.361   5.365
  247   1HD1  ILE  33          1HD1      ILE  33   4.394   2.949   3.056
  248   2HD1  ILE  33          2HD1      ILE  33   2.811   3.698   3.283
  249   3HD1  ILE  33          3HD1      ILE  33   3.537   3.629   1.663
  250    H    LYS  34           H        LYS  34   3.148  -2.605   3.804
  251    HA   LYS  34           HA       LYS  34   3.567  -3.962   5.553
  252   1HB   LYS  34          2HB       LYS  34   4.020  -1.897   6.890
  253   2HB   LYS  34          1HB       LYS  34   2.320  -1.752   7.250
  254   1HG   LYS  34          2HG       LYS  34   4.049  -4.031   8.155
  255   2HG   LYS  34          1HG       LYS  34   3.783  -2.578   9.109
  256   1HD   LYS  34          2HD       LYS  34   1.357  -3.064   9.121
  257   2HD   LYS  34          1HD       LYS  34   1.662  -4.550   8.225
  258   1HE   LYS  34          2HE       LYS  34   3.059  -5.352  10.075
  259   2HE   LYS  34          1HE       LYS  34   2.718  -3.873  10.966
  260   1HZ   LYS  34          1HZ       LYS  34   0.701  -5.872  10.112
  261   2HZ   LYS  34          2HZ       LYS  34   0.380  -4.456  10.969
  262   3HZ   LYS  34          3HZ       LYS  34   1.303  -5.673  11.677
  263    H    GLY  35           H        GLY  35   0.514  -2.436   6.081
  264   1HA   GLY  35          2HA       GLY  35  -1.112  -4.453   5.128
  265   2HA   GLY  35          1HA       GLY  35  -0.982  -4.747   6.843
  266    H    ARG  36           H        ARG  36  -0.673  -1.576   5.538
  267    HA   ARG  36           HA       ARG  36  -3.082  -0.680   6.945
  268   1HB   ARG  36          2HB       ARG  36  -0.459   0.727   6.438
  269   2HB   ARG  36          1HB       ARG  36  -1.765   1.260   7.486
  270   1HG   ARG  36          2HG       ARG  36  -1.295  -0.441   9.083
  271   2HG   ARG  36          1HG       ARG  36  -0.210  -1.265   7.961
  272   1HD   ARG  36          2HD       ARG  36   1.057  -0.056   9.638
  273   2HD   ARG  36          1HD       ARG  36   1.315   0.646   8.044
  274    HE   ARG  36           HE       ARG  36  -0.791   1.900   9.422
  275   1HH1  ARG  36          1HH1      ARG  36   2.803   1.823   9.167
  276   2HH1  ARG  36          2HH1      ARG  36   2.990   3.365   9.824
  277   1HH2  ARG  36          1HH2      ARG  36  -0.460   4.041  10.357
  278   2HH2  ARG  36          2HH2      ARG  36   1.129   4.646  10.487
  279    H    VAL  37           H        VAL  37  -4.454   0.231   5.454
  280    HA   VAL  37           HA       VAL  37  -3.398   0.811   2.811
  281    HB   VAL  37           HB       VAL  37  -6.256   0.567   3.799
  282   1HG1  VAL  37          1HG1      VAL  37  -6.112   2.293   2.045
  283   2HG1  VAL  37          2HG1      VAL  37  -6.927   0.841   1.460
  284   3HG1  VAL  37          3HG1      VAL  37  -5.243   1.151   1.015
  285   1HG2  VAL  37          1HG2      VAL  37  -6.295  -1.360   2.306
  286   2HG2  VAL  37          2HG2      VAL  37  -5.031  -1.518   3.534
  287   3HG2  VAL  37          3HG2      VAL  37  -4.610  -1.052   1.885
  288    H    PHE  38           H        PHE  38  -2.811   2.709   2.297
  289    HA   PHE  38           HA       PHE  38  -3.767   5.046   3.783
  290   1HB   PHE  38          2HB       PHE  38  -1.469   4.530   1.958
  291   2HB   PHE  38          1HB       PHE  38  -1.835   6.138   2.565
  292    HD1  PHE  38           1HD      PHE  38  -0.971   6.817   4.626
  293    HD2  PHE  38           2HD      PHE  38  -0.829   2.686   3.612
  294    HE1  PHE  38           1HE      PHE  38   0.477   6.396   6.539
  295    HE2  PHE  38           2HE      PHE  38   0.625   2.269   5.542
  296    HZ   PHE  38           HZ       PHE  38   1.287   4.115   7.006
  297    H    ASP  39           H        ASP  39  -4.831   6.653   2.700
  298    HA   ASP  39           HA       ASP  39  -5.765   6.031   0.017
  299   1HB   ASP  39          2HB       ASP  39  -7.408   6.975   1.576
  300   2HB   ASP  39          1HB       ASP  39  -6.414   8.418   1.769
  301    H    VAL  40           H        VAL  40  -4.955   6.765  -1.745
  302    HA   VAL  40           HA       VAL  40  -3.293   9.156  -1.610
  303    HB   VAL  40           HB       VAL  40  -1.923   8.160  -3.523
  304   1HG1  VAL  40          1HG1      VAL  40  -1.829   6.777  -0.849
  305   2HG1  VAL  40          2HG1      VAL  40  -1.056   8.310  -1.266
  306   3HG1  VAL  40          3HG1      VAL  40  -0.529   6.817  -2.042
  307   1HG2  VAL  40          1HG2      VAL  40  -3.201   5.619  -2.551
  308   2HG2  VAL  40          2HG2      VAL  40  -1.902   5.751  -3.751
  309   3HG2  VAL  40          3HG2      VAL  40  -3.506   6.425  -4.083
  310    H    THR  41           H        THR  41  -6.118   8.629  -2.231
  311    HA   THR  41           HA       THR  41  -6.485   9.118  -5.010
  312    HB   THR  41           HB       THR  41  -8.369   9.753  -2.698
  313    HG1  THR  41           1HG      THR  41  -8.230   7.650  -2.455
  314   1HG2  THR  41          1HG2      THR  41 -10.139   9.463  -4.381
  315   2HG2  THR  41          2HG2      THR  41  -8.916   9.136  -5.610
  316   3HG2  THR  41          3HG2      THR  41  -9.013  10.733  -4.869
  317    H    THR  42           H        THR  42  -5.763  10.909  -2.168
  318    HA   THR  42           HA       THR  42  -6.377  13.510  -2.986
  319    HB   THR  42           HB       THR  42  -4.752  14.116  -1.173
  320    HG1  THR  42           1HG      THR  42  -3.617  12.515  -0.168
  321   1HG2  THR  42          1HG2      THR  42  -6.052  13.078   0.656
  322   2HG2  THR  42          2HG2      THR  42  -6.739  11.932  -0.497
  323   3HG2  THR  42          3HG2      THR  42  -7.107  13.650  -0.639
  324    H    GLY  43           H        GLY  43  -3.608  11.407  -3.374
  325   1HA   GLY  43          2HA       GLY  43  -2.155  13.450  -4.914
  326   2HA   GLY  43          1HA       GLY  43  -1.441  12.005  -4.199
  327    H    LYS  44           H        LYS  44  -4.348  12.373  -6.108
  328    HA   LYS  44           HA       LYS  44  -4.039  10.055  -7.622
  329   1HB   LYS  44          2HB       LYS  44  -6.161  11.289  -7.361
  330   2HB   LYS  44          1HB       LYS  44  -5.531  12.556  -8.405
  331   1HG   LYS  44          2HG       LYS  44  -5.263  10.789 -10.195
  332   2HG   LYS  44          1HG       LYS  44  -6.166   9.712  -9.140
  333   1HD   LYS  44          2HD       LYS  44  -8.031  11.331  -9.115
  334   2HD   LYS  44          1HD       LYS  44  -7.053  12.331 -10.207
  335   1HE   LYS  44          2HE       LYS  44  -7.076  10.554 -11.884
  336   2HE   LYS  44          1HE       LYS  44  -8.049   9.552 -10.814
  337   1HZ   LYS  44          1HZ       LYS  44  -9.820  11.222 -10.938
  338   2HZ   LYS  44          2HZ       LYS  44  -9.427  10.633 -12.464
  339   3HZ   LYS  44          3HZ       LYS  44  -8.881  12.147 -11.990
  340    H    SER  45           H        SER  45  -2.990  13.372  -8.275
  341    HA   SER  45           HA       SER  45  -2.268  13.035 -10.950
  342   1HB   SER  45          2HB       SER  45  -1.040  14.877  -8.901
  343   2HB   SER  45          1HB       SER  45  -0.934  15.045 -10.654
  344    HG   SER  45           HG       SER  45  -3.274  15.127 -10.641
  345    H    PHE  46           H        PHE  46  -0.797  11.776  -8.155
  346    HA   PHE  46           HA       PHE  46   1.679  11.247  -9.619
  347   1HB   PHE  46          2HB       PHE  46   1.029  10.980  -6.679
  348   2HB   PHE  46          1HB       PHE  46   2.575  10.553  -7.389
  349    HD1  PHE  46           1HD      PHE  46   0.461  13.215  -6.166
  350    HD2  PHE  46           2HD      PHE  46   4.010  12.336  -8.336
  351    HE1  PHE  46           1HE      PHE  46   1.234  15.530  -5.834
  352    HE2  PHE  46           2HE      PHE  46   4.787  14.647  -8.011
  353    HZ   PHE  46           HZ       PHE  46   3.396  16.246  -6.755
  354    H    TYR  47           H        TYR  47  -0.819   9.667  -7.651
  355    HA   TYR  47           HA       TYR  47   0.226   7.061  -8.341
  356   1HB   TYR  47          2HB       TYR  47  -1.933   7.899  -6.423
  357   2HB   TYR  47          1HB       TYR  47  -1.487   6.222  -6.737
  358    HD1  TYR  47           1HD      TYR  47  -0.112   9.459  -5.541
  359    HD2  TYR  47           2HD      TYR  47   0.295   5.231  -5.589
  360    HE1  TYR  47           1HE      TYR  47   1.664   9.612  -3.872
  361    HE2  TYR  47           2HE      TYR  47   2.076   5.375  -3.912
  362    HH   TYR  47           HH       TYR  47   3.692   6.978  -3.109
  363    H    GLY  48           H        GLY  48  -2.833   8.850  -9.045
  364   1HA   GLY  48          2HA       GLY  48  -3.597   6.468 -10.606
  365   2HA   GLY  48          1HA       GLY  48  -4.745   7.508  -9.787
  366    H    SER  49           H        SER  49  -1.993   8.541 -11.579
  367    HA   SER  49           HA       SER  49  -3.312   9.154 -14.014
  368   1HB   SER  49          2HB       SER  49  -4.511  10.683 -12.588
  369   2HB   SER  49          1HB       SER  49  -3.024  11.477 -12.103
  370    HG   SER  49           HG       SER  49  -3.978  11.296 -14.768
  371    H    GLY  50           H        GLY  50  -0.659   9.708 -11.804
  372   1HA   GLY  50          2HA       GLY  50   0.893  11.096 -13.801
  373   2HA   GLY  50          1HA       GLY  50   1.402  10.702 -12.165
  374    H    GLY  51           H        GLY  51   0.364   7.914 -12.829
  375   1HA   GLY  51          2HA       GLY  51   1.202   5.928 -13.636
  376   2HA   GLY  51          1HA       GLY  51   2.188   6.832 -14.784
  377    H    ASP  52           H        ASP  52   3.470   8.293 -12.803
  378    HA   ASP  52           HA       ASP  52   5.794   6.857 -12.399
  379   1HB   ASP  52          2HB       ASP  52   5.499   9.264 -12.543
  380   2HB   ASP  52          1HB       ASP  52   4.773   9.251 -10.945
  381    H    TYR  53           H        TYR  53   3.003   7.131 -10.318
  382    HA   TYR  53           HA       TYR  53   4.371   5.405  -8.369
  383   1HB   TYR  53          2HB       TYR  53   2.288   7.519  -7.914
  384   2HB   TYR  53          1HB       TYR  53   2.657   6.290  -6.717
  385    HD1  TYR  53           1HD      TYR  53   4.765   6.340  -5.515
  386    HD2  TYR  53           2HD      TYR  53   3.820   9.334  -8.378
  387    HE1  TYR  53           1HE      TYR  53   6.535   7.759  -4.594
  388    HE2  TYR  53           2HE      TYR  53   5.604  10.769  -7.462
  389    HH   TYR  53           HH       TYR  53   7.966   9.615  -5.347
  390    H    SER  54           H        SER  54   2.648   4.814 -10.810
  391    HA   SER  54           HA       SER  54   0.094   3.891 -10.020
  392   1HB   SER  54          2HB       SER  54   0.808   4.373 -12.326
  393   2HB   SER  54          1HB       SER  54   1.868   2.931 -12.182
  394    HG   SER  54           HG       SER  54  -0.705   2.343 -11.519
  395    H    MET  55           H        MET  55   3.228   2.462  -9.768
  396    HA   MET  55           HA       MET  55   2.283  -0.224  -9.518
  397   1HB   MET  55          2HB       MET  55   4.648  -0.781  -9.063
  398   2HB   MET  55          1HB       MET  55   4.453   0.154 -10.530
  399   1HG   MET  55          2HG       MET  55   5.544   1.169  -7.877
  400   2HG   MET  55          1HG       MET  55   6.367   0.851  -9.407
  401   1HE   MET  55          1HE       MET  55   6.431   2.343 -11.474
  402   2HE   MET  55          2HE       MET  55   5.325   3.690 -11.751
  403   3HE   MET  55          3HE       MET  55   4.706   2.041 -11.677
  404    H    PHE  56           H        PHE  56   2.592   2.400  -7.502
  405    HA   PHE  56           HA       PHE  56   2.470   0.829  -5.015
  406   1HB   PHE  56          2HB       PHE  56   2.704   3.788  -5.554
  407   2HB   PHE  56          1HB       PHE  56   2.397   3.111  -3.965
  408    HD1  PHE  56           1HD      PHE  56   4.118   2.696  -2.595
  409    HD2  PHE  56           2HD      PHE  56   4.868   2.902  -6.766
  410    HE1  PHE  56           1HE      PHE  56   6.461   2.550  -2.139
  411    HE2  PHE  56           2HE      PHE  56   7.284   2.746  -6.342
  412    HZ   PHE  56           HZ       PHE  56   8.111   2.570  -4.022
  413    H    ALA  57           H        ALA  57   0.720   3.025  -7.034
  414    HA   ALA  57           HA       ALA  57  -1.331   4.096  -5.649
  415   1HB   ALA  57          1HB       ALA  57  -2.488   4.304  -7.719
  416   2HB   ALA  57          2HB       ALA  57  -1.547   2.985  -8.408
  417   3HB   ALA  57          3HB       ALA  57  -0.757   4.499  -7.977
  418    H    GLY  58           H        GLY  58  -1.158   0.824  -6.358
  419   1HA   GLY  58          2HA       GLY  58  -3.555   0.271  -4.944
  420   2HA   GLY  58          1HA       GLY  58  -3.805  -0.050  -6.625
  421    H    LYS  59           H        LYS  59  -0.885  -0.449  -4.658
  422    HA   LYS  59           HA       LYS  59  -1.305  -3.200  -4.749
  423   1HB   LYS  59          2HB       LYS  59  -0.034  -2.853  -6.812
  424   2HB   LYS  59          1HB       LYS  59   1.136  -1.880  -5.942
  425   1HG   LYS  59          2HG       LYS  59   1.972  -4.132  -6.334
  426   2HG   LYS  59          1HG       LYS  59   1.804  -3.753  -4.620
  427   1HD   LYS  59          2HD       LYS  59  -0.591  -4.921  -4.968
  428   2HD   LYS  59          1HD       LYS  59   0.333  -5.587  -6.327
  429   1HE   LYS  59          2HE       LYS  59   1.950  -6.530  -4.935
  430   2HE   LYS  59          1HE       LYS  59   1.266  -5.564  -3.593
  431   1HZ   LYS  59          1HZ       LYS  59  -0.356  -7.642  -4.951
  432   2HZ   LYS  59          2HZ       LYS  59  -0.619  -6.876  -3.461
  433   3HZ   LYS  59          3HZ       LYS  59   0.598  -8.009  -3.621
  434    H    ASP  60           H        ASP  60  -0.574  -4.081  -2.992
  435    HA   ASP  60           HA       ASP  60   0.191  -2.666  -0.723
  436   1HB   ASP  60          2HB       ASP  60   0.951  -5.518  -1.188
  437   2HB   ASP  60          1HB       ASP  60   0.287  -4.730   0.240
  438    H    ALA  61           H        ALA  61   2.075  -1.623  -0.658
  439    HA   ALA  61           HA       ALA  61   4.320  -2.626  -2.242
  440   1HB   ALA  61          1HB       ALA  61   3.872   0.107  -1.054
  441   2HB   ALA  61          2HB       ALA  61   3.528  -0.390  -2.715
  442   3HB   ALA  61          3HB       ALA  61   5.192  -0.361  -2.138
  443    H    SER  62           H        SER  62   3.516  -3.615   0.429
  444    HA   SER  62           HA       SER  62   5.049  -2.716   2.521
  445   1HB   SER  62          2HB       SER  62   4.295  -5.565   1.921
  446   2HB   SER  62          1HB       SER  62   4.640  -4.864   3.502
  447    HG   SER  62           HG       SER  62   2.424  -5.051   3.035
  448    H    ARG  63           H        ARG  63   5.858  -5.527   0.414
  449    HA   ARG  63           HA       ARG  63   8.465  -5.738   1.522
  450   1HB   ARG  63          2HB       ARG  63   7.347  -7.636   0.314
  451   2HB   ARG  63          1HB       ARG  63   7.612  -6.769  -1.202
  452   1HG   ARG  63          2HG       ARG  63  10.096  -6.695  -0.396
  453   2HG   ARG  63          1HG       ARG  63   9.601  -8.045   0.614
  454   1HD   ARG  63          2HD       ARG  63   9.333  -7.906  -2.375
  455   2HD   ARG  63          1HD       ARG  63  10.645  -8.688  -1.519
  456    HE   ARG  63           HE       ARG  63   8.319  -9.859  -0.628
  457   1HH1  ARG  63          1HH1      ARG  63  10.013  -9.357  -3.701
  458   2HH1  ARG  63          2HH1      ARG  63   9.538 -10.833  -4.403
  459   1HH2  ARG  63          1HH2      ARG  63   7.672 -12.031  -1.618
  460   2HH2  ARG  63          2HH2      ARG  63   8.205 -12.319  -3.199
  461    H    ALA  64           H        ALA  64   7.142  -3.794  -1.026
  462    HA   ALA  64           HA       ALA  64   9.470  -3.647  -2.686
  463   1HB   ALA  64          1HB       ALA  64   8.250  -1.902  -3.888
  464   2HB   ALA  64          2HB       ALA  64   7.011  -1.900  -2.629
  465   3HB   ALA  64          3HB       ALA  64   7.254  -3.332  -3.630
  466    H    LEU  65           H        LEU  65   8.020  -1.804  -0.180
  467    HA   LEU  65           HA       LEU  65   9.615   0.499  -0.303
  468   1HB   LEU  65          2HB       LEU  65   8.044  -0.855   1.774
  469   2HB   LEU  65          1HB       LEU  65   8.909   0.615   2.135
  470    HG   LEU  65           HG       LEU  65   6.607   0.194   0.234
  471   1HD1  LEU  65          1HD1      LEU  65   6.892   1.812   2.770
  472   2HD1  LEU  65          2HD1      LEU  65   6.010   0.306   2.554
  473   3HD1  LEU  65          3HD1      LEU  65   5.485   1.758   1.713
  474   1HD2  LEU  65          1HD2      LEU  65   8.222   2.647   0.768
  475   2HD2  LEU  65          2HD2      LEU  65   6.693   2.624  -0.095
  476   3HD2  LEU  65          3HD2      LEU  65   8.113   1.801  -0.785
  477    H    GLY  66           H        GLY  66   9.957  -2.505   1.518
  478   1HA   GLY  66          2HA       GLY  66  12.253  -1.564   2.923
  479   2HA   GLY  66          1HA       GLY  66  11.694  -3.224   2.884
  480    H    LYS  67           H        LYS  67  11.732  -3.078  -0.087
  481    HA   LYS  67           HA       LYS  67  14.509  -3.885  -0.417
  482   1HB   LYS  67          2HB       LYS  67  12.304  -3.844  -2.458
  483   2HB   LYS  67          1HB       LYS  67  13.815  -4.719  -2.564
  484   1HG   LYS  67          2HG       LYS  67  11.553  -5.259  -0.665
  485   2HG   LYS  67          1HG       LYS  67  11.973  -6.214  -2.083
  486   1HD   LYS  67          2HD       LYS  67  13.598  -5.868   0.444
  487   2HD   LYS  67          1HD       LYS  67  12.724  -7.305  -0.096
  488   1HE   LYS  67          2HE       LYS  67  14.155  -7.373  -2.086
  489   2HE   LYS  67          1HE       LYS  67  15.027  -5.998  -1.410
  490   1HZ   LYS  67          1HZ       LYS  67  16.184  -8.056  -0.892
  491   2HZ   LYS  67          2HZ       LYS  67  14.819  -8.625  -0.055
  492   3HZ   LYS  67          3HZ       LYS  67  15.639  -7.266   0.501
  493    H    MET  68           H        MET  68  12.266  -1.448  -1.481
  494    HA   MET  68           HA       MET  68  12.456   0.594  -2.256
  495   1HB   MET  68          2HB       MET  68  15.472   0.184  -2.439
  496   2HB   MET  68          1HB       MET  68  14.641   1.711  -2.719
  497   1HG   MET  68          2HG       MET  68  13.795   1.606  -0.366
  498   2HG   MET  68          1HG       MET  68  14.766   0.171  -0.141
  499   1HE   MET  68          1HE       MET  68  15.738   3.436  -2.171
  500   2HE   MET  68          2HE       MET  68  16.546   4.371  -0.913
  501   3HE   MET  68          3HE       MET  68  14.819   4.031  -0.790
  502    H    SER  69           H        SER  69  12.236  -1.909  -3.575
  503    HA   SER  69           HA       SER  69  12.982  -1.519  -6.356
  504   1HB   SER  69          2HB       SER  69  11.292  -3.577  -4.988
  505   2HB   SER  69          1HB       SER  69  11.982  -3.677  -6.602
  506    HG   SER  69           HG       SER  69  12.988  -4.718  -4.709
  507    H    LYS  70           H        LYS  70  11.332  -1.271  -8.004
  508    HA   LYS  70           HA       LYS  70   8.660  -0.653  -6.944
  509   1HB   LYS  70          2HB       LYS  70   9.923   0.750  -9.315
  510   2HB   LYS  70          1HB       LYS  70   8.332   1.069  -8.648
  511   1HG   LYS  70          2HG       LYS  70   9.568   2.819  -7.731
  512   2HG   LYS  70          1HG       LYS  70   9.654   1.548  -6.492
  513   1HD   LYS  70          2HD       LYS  70  11.829   0.857  -7.254
  514   2HD   LYS  70          1HD       LYS  70  11.737   2.024  -8.578
  515   1HE   LYS  70          2HE       LYS  70  11.674   3.860  -6.943
  516   2HE   LYS  70          1HE       LYS  70  11.767   2.684  -5.639
  517   1HZ   LYS  70          1HZ       LYS  70  13.911   3.678  -6.113
  518   2HZ   LYS  70          2HZ       LYS  70  13.859   3.115  -7.700
  519   3HZ   LYS  70          3HZ       LYS  70  13.945   2.019  -6.411
  520    H    ASN  71           H        ASN  71  10.234  -2.866  -8.491
  521    HA   ASN  71           HA       ASN  71   8.446  -3.336 -10.714
  522   1HB   ASN  71          2HB       ASN  71   9.817  -5.445 -10.971
  523   2HB   ASN  71          1HB       ASN  71  10.755  -3.961 -11.093
  524   1HD2  ASN  71          1HD2      ASN  71  10.246  -6.878  -9.295
  525   2HD2  ASN  71          2HD2      ASN  71  11.550  -6.584  -8.190
  526    H    GLU  72           H        GLU  72   6.966  -4.700 -10.926
  527    HA   GLU  72           HA       GLU  72   5.182  -4.795  -8.812
  528   1HB   GLU  72          2HB       GLU  72   4.965  -4.707 -11.340
  529   2HB   GLU  72          1HB       GLU  72   5.042  -6.456 -11.312
  530   1HG   GLU  72          2HG       GLU  72   3.080  -4.765  -9.884
  531   2HG   GLU  72          1HG       GLU  72   2.749  -5.457 -11.468
  532    H    GLU  73           H        GLU  73   7.310  -7.288 -10.092
  533    HA   GLU  73           HA       GLU  73   6.202  -9.452  -8.631
  534   1HB   GLU  73          2HB       GLU  73   8.913  -9.082  -9.865
  535   2HB   GLU  73          1HB       GLU  73   8.430 -10.563  -9.055
  536   1HG   GLU  73          2HG       GLU  73   7.001  -9.353 -11.403
  537   2HG   GLU  73          1HG       GLU  73   8.173 -10.667 -11.508
  538    H    ASP  74           H        ASP  74   8.296  -6.890  -7.627
  539    HA   ASP  74           HA       ASP  74   9.017  -8.448  -5.251
  540   1HB   ASP  74          2HB       ASP  74  10.832  -7.276  -6.671
  541   2HB   ASP  74          1HB       ASP  74  10.180  -5.781  -6.040
  542    H    VAL  75           H        VAL  75   6.740  -6.366  -6.330
  543    HA   VAL  75           HA       VAL  75   6.381  -5.041  -3.768
  544    HB   VAL  75           HB       VAL  75   4.437  -4.947  -6.131
  545   1HG1  VAL  75          1HG1      VAL  75   5.025  -2.983  -3.967
  546   2HG1  VAL  75          2HG1      VAL  75   3.693  -4.133  -3.932
  547   3HG1  VAL  75          3HG1      VAL  75   3.731  -2.848  -5.154
  548   1HG2  VAL  75          1HG2      VAL  75   5.480  -2.842  -6.845
  549   2HG2  VAL  75          2HG2      VAL  75   6.600  -4.212  -6.980
  550   3HG2  VAL  75          3HG2      VAL  75   6.740  -3.075  -5.637
  551    H    SER  76           H        SER  76   4.460  -5.559  -2.427
  552    HA   SER  76           HA       SER  76   2.980  -7.904  -2.729
  553   1HB   SER  76          2HB       SER  76   5.262  -8.931  -2.903
  554   2HB   SER  76          1HB       SER  76   5.642  -8.312  -1.310
  555    HG   SER  76           HG       SER  76   3.988 -10.420  -2.062
  556    HA   PRO  77           HA       PRO  77   1.427  -6.054   1.072
  557   1HB   PRO  77          2HB       PRO  77  -0.168  -8.031   1.978
  558   2HB   PRO  77          1HB       PRO  77  -0.575  -7.074   0.548
  559   1HG   PRO  77          2HG       PRO  77   0.656  -9.799   0.703
  560   2HG   PRO  77          1HG       PRO  77  -0.645  -9.225  -0.354
  561   1HD   PRO  77          2HD       PRO  77   1.919  -9.458  -1.197
  562   2HD   PRO  77          1HD       PRO  77   0.823  -8.204  -1.812
  563    H    SER  78           H        SER  78   3.090  -9.008   1.143
  564    HA   SER  78           HA       SER  78   3.317  -9.145   4.104
  565   1HB   SER  78          2HB       SER  78   2.906 -11.192   2.498
  566   2HB   SER  78          1HB       SER  78   4.560 -10.722   2.021
  567    HG   SER  78           HG       SER  78   3.705 -11.757   4.479
  568    H    LEU  79           H        LEU  79   5.184  -9.402   5.051
  569    HA   LEU  79           HA       LEU  79   7.246  -7.820   3.826
  570   1HB   LEU  79          2HB       LEU  79   7.047  -8.839   6.666
  571   2HB   LEU  79          1HB       LEU  79   8.230  -7.738   5.981
  572    HG   LEU  79           HG       LEU  79   5.334  -7.195   6.500
  573   1HD1  LEU  79          1HD1      LEU  79   6.799  -6.850   8.406
  574   2HD1  LEU  79          2HD1      LEU  79   6.157  -5.321   7.805
  575   3HD1  LEU  79          3HD1      LEU  79   7.810  -5.768   7.446
  576   1HD2  LEU  79          1HD2      LEU  79   5.832  -6.413   4.315
  577   2HD2  LEU  79          2HD2      LEU  79   7.258  -5.529   4.883
  578   3HD2  LEU  79          3HD2      LEU  79   5.631  -5.025   5.394
  579    H    GLU  80           H        GLU  80   6.250 -10.791   3.669
  580    HA   GLU  80           HA       GLU  80   7.038 -12.646   2.813
  581   1HB   GLU  80          2HB       GLU  80   7.912 -10.997   1.229
  582   2HB   GLU  80          1HB       GLU  80   9.431 -10.973   2.083
  583   1HG   GLU  80          2HG       GLU  80   9.624 -12.372   0.146
  584   2HG   GLU  80          1HG       GLU  80   9.708 -13.287   1.666
  585    H    GLY  81           H        GLY  81  10.325 -11.709   3.449
  586   1HA   GLY  81          2HA       GLY  81  10.288 -13.134   5.870
  587   2HA   GLY  81          1HA       GLY  81  11.316 -13.849   4.610
  588    H    LEU  82           H        LEU  82  10.705 -10.469   4.860
  589    HA   LEU  82           HA       LEU  82  13.327  -9.661   4.653
  590   1HB   LEU  82          2HB       LEU  82  10.867  -8.235   5.609
  591   2HB   LEU  82          1HB       LEU  82  12.388  -7.444   5.243
  592    HG   LEU  82           HG       LEU  82  10.838  -9.038   3.192
  593   1HD1  LEU  82          1HD1      LEU  82  10.177  -6.911   2.304
  594   2HD1  LEU  82          2HD1      LEU  82  10.923  -6.067   3.671
  595   3HD1  LEU  82          3HD1      LEU  82   9.513  -7.133   3.925
  596   1HD2  LEU  82          1HD2      LEU  82  12.267  -7.937   1.660
  597   2HD2  LEU  82          2HD2      LEU  82  13.312  -8.627   2.956
  598   3HD2  LEU  82          3HD2      LEU  82  12.820  -6.926   2.980
  599    H    THR  83           H        THR  83  14.765  -8.956   6.016
  600    HA   THR  83           HA       THR  83  14.427  -9.684   8.788
  601    HB   THR  83           HB       THR  83  16.464 -10.447   7.617
  602    HG1  THR  83           1HG      THR  83  16.995 -10.269   9.630
  603   1HG2  THR  83          1HG2      THR  83  17.076  -7.503   7.311
  604   2HG2  THR  83          2HG2      THR  83  16.752  -8.649   6.004
  605   3HG2  THR  83          3HG2      THR  83  18.214  -8.804   6.977
  606    H    GLU  84           H        GLU  84  15.834  -7.965  10.194
  607    HA   GLU  84           HA       GLU  84  14.090  -5.807  10.457
  608   1HB   GLU  84          2HB       GLU  84  16.789  -6.255  11.689
  609   2HB   GLU  84          1HB       GLU  84  15.704  -4.948  12.155
  610   1HG   GLU  84          2HG       GLU  84  14.006  -6.566  12.764
  611   2HG   GLU  84          1HG       GLU  84  15.080  -7.884  12.307
  612    H    LYS  85           H        LYS  85  17.294  -5.901   9.010
  613    HA   LYS  85           HA       LYS  85  17.791  -3.216   8.462
  614   1HB   LYS  85          2HB       LYS  85  19.333  -4.995   7.876
  615   2HB   LYS  85          1HB       LYS  85  18.198  -5.629   6.693
  616   1HG   LYS  85          2HG       LYS  85  18.356  -3.369   5.583
  617   2HG   LYS  85          1HG       LYS  85  19.816  -3.100   6.560
  618   1HD   LYS  85          2HD       LYS  85  19.268  -5.323   4.615
  619   2HD   LYS  85          1HD       LYS  85  20.381  -3.985   4.342
  620   1HE   LYS  85          2HE       LYS  85  21.791  -4.786   6.187
  621   2HE   LYS  85          1HE       LYS  85  20.665  -6.112   6.477
  622   1HZ   LYS  85          1HZ       LYS  85  22.259  -5.703   3.988
  623   2HZ   LYS  85          2HZ       LYS  85  21.131  -6.920   4.237
  624   3HZ   LYS  85          3HZ       LYS  85  22.526  -6.887   5.167
  625    H    GLU  86           H        GLU  86  16.112  -5.567   6.539
  626    HA   GLU  86           HA       GLU  86  15.341  -4.037   4.348
  627   1HB   GLU  86          2HB       GLU  86  14.195  -6.452   5.633
  628   2HB   GLU  86          1HB       GLU  86  13.772  -5.890   4.035
  629   1HG   GLU  86          2HG       GLU  86  16.499  -6.803   4.966
  630   2HG   GLU  86          1HG       GLU  86  15.393  -7.780   4.017
  631    H    ILE  87           H        ILE  87  13.560  -5.164   7.177
  632    HA   ILE  87           HA       ILE  87  11.222  -3.967   6.392
  633    HB   ILE  87           HB       ILE  87  12.139  -5.148   8.942
  634   1HG1  ILE  87          2HG1      ILE  87  10.141  -6.033   6.867
  635   2HG1  ILE  87          1HG1      ILE  87  11.754  -6.645   7.130
  636   1HG2  ILE  87          1HG2      ILE  87   9.373  -4.091   8.331
  637   2HG2  ILE  87          2HG2      ILE  87  10.484  -3.414   9.527
  638   3HG2  ILE  87          3HG2      ILE  87   9.775  -5.028   9.780
  639   1HD1  ILE  87          1HD1      ILE  87  10.075  -8.163   8.022
  640   2HD1  ILE  87          2HD1      ILE  87   9.464  -6.874   9.060
  641   3HD1  ILE  87          3HD1      ILE  87  11.088  -7.512   9.314
  642    H    ASN  88           H        ASN  88  13.791  -2.874   8.657
  643    HA   ASN  88           HA       ASN  88  12.572  -0.569   9.658
  644   1HB   ASN  88          2HB       ASN  88  15.424  -1.296   9.203
  645   2HB   ASN  88          1HB       ASN  88  15.030   0.389   9.514
  646   1HD2  ASN  88          1HD2      ASN  88  15.174  -2.811  10.826
  647   2HD2  ASN  88          2HD2      ASN  88  14.949  -2.395  12.489
  648    H    THR  89           H        THR  89  14.034  -1.157   6.599
  649    HA   THR  89           HA       THR  89  14.102   1.493   5.736
  650    HB   THR  89           HB       THR  89  13.876  -1.072   4.148
  651    HG1  THR  89           1HG      THR  89  15.809  -1.218   5.129
  652   1HG2  THR  89          1HG2      THR  89  13.276   0.886   2.832
  653   2HG2  THR  89          2HG2      THR  89  14.862   0.264   2.325
  654   3HG2  THR  89          3HG2      THR  89  14.749   1.698   3.367
  655    H    LEU  90           H        LEU  90  11.503  -0.958   5.614
  656    HA   LEU  90           HA       LEU  90   9.857   0.829   4.089
  657   1HB   LEU  90          2HB       LEU  90   8.724  -0.965   3.572
  658   2HB   LEU  90          1HB       LEU  90   9.601  -1.950   4.698
  659    HG   LEU  90           HG       LEU  90   7.372  -0.269   5.783
  660   1HD1  LEU  90          1HD1      LEU  90   6.962  -2.802   4.261
  661   2HD1  LEU  90          2HD1      LEU  90   6.516  -1.149   3.777
  662   3HD1  LEU  90          3HD1      LEU  90   5.747  -1.886   5.194
  663   1HD2  LEU  90          1HD2      LEU  90   7.007  -2.167   7.169
  664   2HD2  LEU  90          2HD2      LEU  90   8.718  -1.672   7.225
  665   3HD2  LEU  90          3HD2      LEU  90   8.235  -3.100   6.297
  666    H    ASN  91           H        ASN  91  10.251  -0.051   7.357
  667    HA   ASN  91           HA       ASN  91   8.188   1.248   8.666
  668   1HB   ASN  91          2HB       ASN  91  11.064   0.817   9.269
  669   2HB   ASN  91          1HB       ASN  91  10.156   1.828  10.348
  670   1HD2  ASN  91          1HD2      ASN  91   8.700  -0.920   8.756
  671   2HD2  ASN  91          2HD2      ASN  91   8.601  -1.928  10.152
  672    H    ASP  92           H        ASP  92  10.907   2.475   7.076
  673    HA   ASP  92           HA       ASP  92  10.734   5.238   8.074
  674   1HB   ASP  92          2HB       ASP  92  12.912   4.030   7.121
  675   2HB   ASP  92          1HB       ASP  92  12.088   4.411   5.596
  676    H    TRP  93           H        TRP  93  10.047   3.537   5.047
  677    HA   TRP  93           HA       TRP  93   8.931   5.744   3.751
  678   1HB   TRP  93          2HB       TRP  93   8.575   2.807   3.346
  679   2HB   TRP  93          1HB       TRP  93   7.788   4.005   2.319
  680    HD1  TRP  93           HD       TRP  93  11.072   2.239   2.874
  681    HE1  TRP  93           1HE      TRP  93  12.764   2.976   1.111
  682    HE3  TRP  93           3HE      TRP  93   8.486   6.160   0.871
  683    HZ2  TRP  93           2HZ      TRP  93  12.989   4.974  -0.896
  684    HZ3  TRP  93           3HZ      TRP  93   9.513   7.430  -0.966
  685    HH2  TRP  93           HH       TRP  93  11.713   6.847  -1.826
  686    H    GLU  94           H        GLU  94   7.399   3.303   5.776
  687    HA   GLU  94           HA       GLU  94   4.752   4.060   5.580
  688   1HB   GLU  94          2HB       GLU  94   6.254   3.434   8.149
  689   2HB   GLU  94          1HB       GLU  94   4.508   3.469   7.990
  690   1HG   GLU  94          2HG       GLU  94   4.605   1.661   6.448
  691   2HG   GLU  94          1HG       GLU  94   6.364   1.546   6.592
  692    H    THR  95           H        THR  95   6.933   5.170   7.957
  693    HA   THR  95           HA       THR  95   5.760   7.263   9.209
  694    HB   THR  95           HB       THR  95   8.638   7.223   8.338
  695    HG1  THR  95           1HG      THR  95   8.155   5.256   9.414
  696   1HG2  THR  95          1HG2      THR  95   9.027   8.443  10.451
  697   2HG2  THR  95          2HG2      THR  95   7.289   8.471  10.754
  698   3HG2  THR  95          3HG2      THR  95   7.959   9.334   9.368
  699    H    LYS  96           H        LYS  96   7.357   7.389   6.053
  700    HA   LYS  96           HA       LYS  96   7.429  10.238   6.077
  701   1HB   LYS  96          2HB       LYS  96   8.175   8.269   3.910
  702   2HB   LYS  96          1HB       LYS  96   8.522   9.998   3.894
  703   1HG   LYS  96          2HG       LYS  96   9.914   9.606   6.060
  704   2HG   LYS  96          1HG       LYS  96   9.572   7.938   5.793
  705   1HD   LYS  96          2HD       LYS  96  10.868   9.605   3.752
  706   2HD   LYS  96          1HD       LYS  96  11.796   8.784   5.003
  707   1HE   LYS  96          2HE       LYS  96  10.854   6.658   4.290
  708   2HE   LYS  96          1HE       LYS  96   9.970   7.435   2.991
  709   1HZ   LYS  96          1HZ       LYS  96  12.084   6.457   2.207
  710   2HZ   LYS  96          2HZ       LYS  96  12.901   7.339   3.363
  711   3HZ   LYS  96          3HZ       LYS  96  12.185   8.147   2.095
  712    H    PHE  97           H        PHE  97   5.712   7.667   4.469
  713    HA   PHE  97           HA       PHE  97   4.059   9.406   2.979
  714   1HB   PHE  97          2HB       PHE  97   3.953   6.530   3.689
  715   2HB   PHE  97          1HB       PHE  97   2.677   7.265   2.763
  716    HD1  PHE  97           1HD      PHE  97   3.909   8.900   0.800
  717    HD2  PHE  97           2HD      PHE  97   5.348   5.229   2.384
  718    HE1  PHE  97           1HE      PHE  97   5.206   8.529  -1.256
  719    HE2  PHE  97           2HE      PHE  97   6.649   4.854   0.333
  720    HZ   PHE  97           HZ       PHE  97   6.581   6.502  -1.489
  721    H    GLU  98           H        GLU  98   3.867   7.854   6.076
  722    HA   GLU  98           HA       GLU  98   1.229   8.209   6.823
  723   1HB   GLU  98          2HB       GLU  98   3.777   8.133   8.322
  724   2HB   GLU  98          1HB       GLU  98   2.378   8.352   9.277
  725   1HG   GLU  98          2HG       GLU  98   1.593   6.108   8.125
  726   2HG   GLU  98          1HG       GLU  98   3.283   6.034   7.678
  727    H    ALA  99           H        ALA  99   3.527  10.686   6.282
  728    HA   ALA  99           HA       ALA  99   2.312  12.473   8.207
  729   1HB   ALA  99          1HB       ALA  99   4.076  14.020   7.536
  730   2HB   ALA  99          2HB       ALA  99   4.618  12.873   6.306
  731   3HB   ALA  99          3HB       ALA  99   4.742  12.461   8.016
  732    H    LYS 100           H        LYS 100   1.752  11.404   5.145
  733    HA   LYS 100           HA       LYS 100   0.424  13.920   4.486
  734   1HB   LYS 100          2HB       LYS 100   1.818  12.069   2.609
  735   2HB   LYS 100          1HB       LYS 100   0.798  13.317   2.033
  736   1HG   LYS 100          2HG       LYS 100   2.823  14.371   1.810
  737   2HG   LYS 100          1HG       LYS 100   2.462  14.835   3.469
  738   1HD   LYS 100          2HD       LYS 100   4.706  14.035   3.368
  739   2HD   LYS 100          1HD       LYS 100   3.726  12.855   4.236
  740   1HE   LYS 100          2HE       LYS 100   5.169  11.705   2.716
  741   2HE   LYS 100          1HE       LYS 100   3.539  11.497   2.166
  742   1HZ   LYS 100          1HZ       LYS 100   3.939  13.270   0.480
  743   2HZ   LYS 100          2HZ       LYS 100   5.027  12.003   0.321
  744   3HZ   LYS 100          3HZ       LYS 100   5.518  13.404   1.036
  745    H    TYR 101           H        TYR 101   0.537  10.440   3.949
  746    HA   TYR 101           HA       TYR 101  -2.194  10.533   3.011
  747   1HB   TYR 101          2HB       TYR 101  -0.246   8.232   3.066
  748   2HB   TYR 101          1HB       TYR 101  -1.843   8.234   2.318
  749    HD1  TYR 101           1HD      TYR 101  -1.915  10.811   0.956
  750    HD2  TYR 101           2HD      TYR 101   1.277   8.022   1.328
  751    HE1  TYR 101           1HE      TYR 101  -0.936  11.677  -1.107
  752    HE2  TYR 101           2HE      TYR 101   2.265   8.853  -0.728
  753    HH   TYR 101           HH       TYR 101   1.153  11.817  -2.152
  754    HA   PRO 102           HA       PRO 102  -3.636   9.047   6.914
  755   1HB   PRO 102          2HB       PRO 102  -6.212   8.968   6.332
  756   2HB   PRO 102          1HB       PRO 102  -5.369  10.526   6.371
  757   1HG   PRO 102          2HG       PRO 102  -6.076   8.807   4.026
  758   2HG   PRO 102          1HG       PRO 102  -6.320  10.550   4.203
  759   1HD   PRO 102          2HD       PRO 102  -4.180   9.481   2.873
  760   2HD   PRO 102          1HD       PRO 102  -4.125  11.023   3.765
  761    H    VAL 103           H        VAL 103  -3.898   7.071   7.697
  762    HA   VAL 103           HA       VAL 103  -4.201   4.806   5.926
  763    HB   VAL 103           HB       VAL 103  -4.241   4.789   8.975
  764   1HG1  VAL 103          1HG1      VAL 103  -5.277   2.814   8.010
  765   2HG1  VAL 103          2HG1      VAL 103  -3.721   2.390   8.733
  766   3HG1  VAL 103          3HG1      VAL 103  -3.869   2.552   6.986
  767   1HG2  VAL 103          1HG2      VAL 103  -1.966   4.226   7.080
  768   2HG2  VAL 103          2HG2      VAL 103  -1.917   4.019   8.827
  769   3HG2  VAL 103          3HG2      VAL 103  -2.103   5.633   8.135
  770    H    VAL 104           H        VAL 104  -6.048   4.320   5.158
  771    HA   VAL 104           HA       VAL 104  -8.448   5.110   6.637
  772    HB   VAL 104           HB       VAL 104  -9.702   4.793   4.494
  773   1HG1  VAL 104          1HG1      VAL 104  -8.882   6.997   5.160
  774   2HG1  VAL 104          2HG1      VAL 104  -8.799   6.813   3.408
  775   3HG1  VAL 104          3HG1      VAL 104  -7.336   6.671   4.380
  776   1HG2  VAL 104          1HG2      VAL 104  -6.938   4.401   3.346
  777   2HG2  VAL 104          2HG2      VAL 104  -8.417   4.598   2.410
  778   3HG2  VAL 104          3HG2      VAL 104  -8.202   3.170   3.430
  779    H    GLY 105           H        GLY 105  -6.647   2.393   6.349
  780   1HA   GLY 105          2HA       GLY 105  -8.342   0.839   7.779
  781   2HA   GLY 105          1HA       GLY 105  -8.776   0.492   6.115
  782    H    ARG 106           H        ARG 106  -8.174  -1.603   6.492
  783    HA   ARG 106           HA       ARG 106  -5.296  -2.225   6.878
  784   1HB   ARG 106          2HB       ARG 106  -6.144  -4.535   7.244
  785   2HB   ARG 106          1HB       ARG 106  -6.594  -3.506   8.547
  786   1HG   ARG 106          2HG       ARG 106  -8.837  -3.334   7.718
  787   2HG   ARG 106          1HG       ARG 106  -8.311  -4.102   6.217
  788   1HD   ARG 106          2HD       ARG 106  -9.511  -5.655   7.681
  789   2HD   ARG 106          1HD       ARG 106  -7.844  -6.082   7.271
  790    HE   ARG 106           HE       ARG 106  -7.670  -4.844   9.691
  791   1HH1  ARG 106          1HH1      ARG 106  -9.600  -7.578   8.472
  792   2HH1  ARG 106          2HH1      ARG 106  -9.488  -8.478   9.911
  793   1HH2  ARG 106          1HH2      ARG 106  -7.535  -6.072  11.663
  794   2HH2  ARG 106          2HH2      ARG 106  -8.276  -7.601  11.781
  795    H    VAL 107           H        VAL 107  -4.459  -3.882   5.562
  796    HA   VAL 107           HA       VAL 107  -6.231  -4.700   3.432
  797    HB   VAL 107           HB       VAL 107  -4.224  -3.404   2.550
  798   1HG1  VAL 107          1HG1      VAL 107  -2.068  -4.537   2.499
  799   2HG1  VAL 107          2HG1      VAL 107  -2.744  -5.775   3.578
  800   3HG1  VAL 107          3HG1      VAL 107  -2.618  -4.084   4.123
  801   1HG2  VAL 107          1HG2      VAL 107  -3.740  -5.031   0.789
  802   2HG2  VAL 107          2HG2      VAL 107  -5.473  -4.958   1.221
  803   3HG2  VAL 107          3HG2      VAL 107  -4.471  -6.273   1.822
  804    H    VAL 108           H        VAL 108  -6.367  -6.809   3.099
  805    HA   VAL 108           HA       VAL 108  -5.076  -8.500   5.086
  806    HB   VAL 108           HB       VAL 108  -7.233  -9.809   5.209
  807   1HG1  VAL 108          1HG1      VAL 108  -7.480  -6.904   5.540
  808   2HG1  VAL 108          2HG1      VAL 108  -6.691  -7.935   6.765
  809   3HG1  VAL 108          3HG1      VAL 108  -8.461  -8.054   6.417
  810   1HG2  VAL 108          1HG2      VAL 108  -8.139  -9.065   3.003
  811   2HG2  VAL 108          2HG2      VAL 108  -8.262  -7.449   3.799
  812   3HG2  VAL 108          3HG2      VAL 108  -9.227  -8.771   4.399
  813    H    SER 109           H        SER 109  -4.497 -10.516   4.399
  814    HA   SER 109           HA       SER 109  -5.047 -11.175   1.664
  815   1HB   SER 109          2HB       SER 109  -2.597 -11.368   1.152
  816   2HB   SER 109          1HB       SER 109  -3.136  -9.733   1.602
  817    HG   SER 109           HG       SER 109  -2.037 -11.583   3.360
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1 -16.574  -8.596  -4.524
    2   2H    MET   1          2HT       MET   1 -17.984  -9.213  -3.797
    3   3H    MET   1          3HT       MET   1 -17.138  -7.986  -3.049
    4    HA   MET   1           HA       MET   1 -17.690  -6.462  -4.724
    5   1HB   MET   1          2HB       MET   1 -19.182  -8.787  -5.991
    6   2HB   MET   1          1HB       MET   1 -19.375  -7.109  -6.460
    7   1HG   MET   1          2HG       MET   1 -17.956  -8.222  -8.034
    8   2HG   MET   1          1HG       MET   1 -17.009  -7.046  -7.132
    9   1HE   MET   1          1HE       MET   1 -18.182 -10.705  -6.034
   10   2HE   MET   1          2HE       MET   1 -16.771 -11.638  -6.527
   11   3HE   MET   1          3HE       MET   1 -17.775 -10.851  -7.743
   12    H    GLY   2           H        GLY   2 -19.792  -5.376  -4.752
   13   1HA   GLY   2          2HA       GLY   2 -21.907  -4.981  -3.908
   14   2HA   GLY   2          1HA       GLY   2 -21.846  -6.537  -3.093
   15    H    HIS   3           H        HIS   3 -19.425  -4.018  -2.891
   16    HA   HIS   3           HA       HIS   3 -19.532  -4.152  -0.028
   17   1HB   HIS   3          2HB       HIS   3 -17.696  -2.544   0.012
   18   2HB   HIS   3          1HB       HIS   3 -17.361  -3.734  -1.226
   19    HD1  HIS   3           1HD      HIS   3 -17.186  -2.860  -3.674
   20    HD2  HIS   3           2HD      HIS   3 -18.212   0.082  -0.921
   21    HE1  HIS   3           1HE      HIS   3 -16.997  -0.687  -4.900
   22    HE2  HIS   3           2HE      HIS   3 -18.031   0.963  -3.299
   23    H    HIS   4           H        HIS   4 -20.334  -2.656   1.370
   24    HA   HIS   4           HA       HIS   4 -22.355  -0.897   0.304
   25   1HB   HIS   4          2HB       HIS   4 -21.378  -1.235   3.144
   26   2HB   HIS   4          1HB       HIS   4 -22.761  -0.267   2.672
   27    HD1  HIS   4           1HD      HIS   4 -21.875  -3.501   3.868
   28    HD2  HIS   4           2HD      HIS   4 -24.838  -1.996   1.391
   29    HE1  HIS   4           1HE      HIS   4 -23.675  -5.225   3.874
   30    HE2  HIS   4           2HE      HIS   4 -25.568  -4.116   2.655
   31    H    HIS   5           H        HIS   5 -22.175   1.249   0.074
   32    HA   HIS   5           HA       HIS   5 -19.524   2.280   0.192
   33   1HB   HIS   5          2HB       HIS   5 -20.438   4.414  -0.766
   34   2HB   HIS   5          1HB       HIS   5 -20.820   2.995  -1.705
   35    HD1  HIS   5           1HD      HIS   5 -23.282   2.488  -2.112
   36    HD2  HIS   5           2HD      HIS   5 -22.689   5.652   0.517
   37    HE1  HIS   5           1HE      HIS   5 -25.524   3.561  -1.833
   38    HE2  HIS   5           2HE      HIS   5 -25.168   5.409  -0.174
   39    H    HIS   6           H        HIS   6 -18.688   2.536   2.028
   40    HA   HIS   6           HA       HIS   6 -19.757   4.551   3.868
   41   1HB   HIS   6          2HB       HIS   6 -18.622   1.857   4.710
   42   2HB   HIS   6          1HB       HIS   6 -18.972   3.174   5.810
   43    HD1  HIS   6           1HD      HIS   6 -20.225   0.084   5.244
   44    HD2  HIS   6           2HD      HIS   6 -22.030   3.822   5.097
   45    HE1  HIS   6           1HE      HIS   6 -22.680  -0.327   5.597
   46    HE2  HIS   6           2HE      HIS   6 -23.645   1.962   5.852
   47    H    HIS   7           H        HIS   7 -18.215   6.056   3.593
   48    HA   HIS   7           HA       HIS   7 -15.538   5.082   3.098
   49   1HB   HIS   7          2HB       HIS   7 -16.735   7.757   2.468
   50   2HB   HIS   7          1HB       HIS   7 -15.004   7.456   2.374
   51    HD1  HIS   7           1HD      HIS   7 -18.141   6.988   0.499
   52    HD2  HIS   7           2HD      HIS   7 -14.283   5.453   0.432
   53    HE1  HIS   7           1HE      HIS   7 -17.911   5.853  -1.705
   54    HE2  HIS   7           2HE      HIS   7 -15.464   5.321  -1.834
   55    H    HIS   8           H        HIS   8 -14.631   4.592   4.825
   56    HA   HIS   8           HA       HIS   8 -13.218   6.597   6.185
   57   1HB   HIS   8          2HB       HIS   8 -15.244   6.685   7.637
   58   2HB   HIS   8          1HB       HIS   8 -15.116   4.949   7.932
   59    HD1  HIS   8           1HD      HIS   8 -14.455   4.823  10.379
   60    HD2  HIS   8           2HD      HIS   8 -12.260   7.676   8.302
   61    HE1  HIS   8           1HE      HIS   8 -12.757   5.660  11.991
   62    HE2  HIS   8           2HE      HIS   8 -11.260   7.115  10.619
   63    H    LEU   9           H        LEU   9 -14.304   3.272   6.870
   64    HA   LEU   9           HA       LEU   9 -11.660   2.419   6.111
   65   1HB   LEU   9          2HB       LEU   9 -11.375   0.897   7.991
   66   2HB   LEU   9          1HB       LEU   9 -11.543   2.518   8.580
   67    HG   LEU   9           HG       LEU   9 -12.601   1.153  10.126
   68   1HD1  LEU   9          1HD1      LEU   9 -14.940   1.764  10.133
   69   2HD1  LEU   9          2HD1      LEU   9 -14.751   2.280   8.449
   70   3HD1  LEU   9          3HD1      LEU   9 -13.843   3.095   9.717
   71   1HD2  LEU   9          1HD2      LEU   9 -14.082  -0.256   7.905
   72   2HD2  LEU   9          2HD2      LEU   9 -14.336  -0.541   9.625
   73   3HD2  LEU   9          3HD2      LEU   9 -12.780  -0.919   8.889
   74    H    GLU  10           H        GLU  10 -11.643   0.722   4.858
   75    HA   GLU  10           HA       GLU  10 -13.948  -1.027   4.919
   76   1HB   GLU  10          2HB       GLU  10 -14.233   0.579   3.018
   77   2HB   GLU  10          1HB       GLU  10 -12.696   0.025   2.367
   78   1HG   GLU  10          2HG       GLU  10 -13.598  -2.238   2.199
   79   2HG   GLU  10          1HG       GLU  10 -15.143  -1.667   2.790
   80    H    GLU  11           H        GLU  11 -13.380  -3.197   4.532
   81    HA   GLU  11           HA       GLU  11 -10.618  -3.753   4.497
   82   1HB   GLU  11          2HB       GLU  11 -11.917  -5.165   5.837
   83   2HB   GLU  11          1HB       GLU  11 -13.107  -5.420   4.564
   84   1HG   GLU  11          2HG       GLU  11 -11.610  -6.601   3.278
   85   2HG   GLU  11          1HG       GLU  11 -10.236  -6.333   4.303
   86    H    PHE  12           H        PHE  12  -9.513  -4.078   2.759
   87    HA   PHE  12           HA       PHE  12 -10.884  -4.625   0.247
   88   1HB   PHE  12          2HB       PHE  12  -8.285  -3.293   0.900
   89   2HB   PHE  12          1HB       PHE  12  -8.789  -3.932  -0.638
   90    HD1  PHE  12           1HD      PHE  12 -10.372  -2.654  -2.010
   91    HD2  PHE  12           2HD      PHE  12  -9.417  -1.354   1.932
   92    HE1  PHE  12           1HE      PHE  12 -11.459  -0.500  -2.457
   93    HE2  PHE  12           2HE      PHE  12 -10.510   0.801   1.492
   94    HZ   PHE  12           HZ       PHE  12 -11.534   1.232  -0.709
   95    H    THR  13           H        THR  13 -10.318  -6.518  -0.724
   96    HA   THR  13           HA       THR  13  -8.171  -7.927   0.584
   97    HB   THR  13           HB       THR  13  -9.980  -8.944  -1.629
   98    HG1  THR  13           1HG      THR  13 -11.106  -8.225   0.287
   99   1HG2  THR  13          1HG2      THR  13  -7.959 -10.196  -1.223
  100   2HG2  THR  13          2HG2      THR  13  -9.369 -11.131  -0.666
  101   3HG2  THR  13          3HG2      THR  13  -8.328 -10.257   0.494
  102    H    ALA  14           H        ALA  14  -6.589  -8.989  -1.019
  103    HA   ALA  14           HA       ALA  14  -5.102  -6.806  -1.915
  104   1HB   ALA  14          1HB       ALA  14  -4.600  -9.640  -2.721
  105   2HB   ALA  14          2HB       ALA  14  -4.172  -8.941  -1.162
  106   3HB   ALA  14          3HB       ALA  14  -3.437  -8.316  -2.643
  107    H    GLU  15           H        GLU  15  -6.724  -9.205  -4.024
  108    HA   GLU  15           HA       GLU  15  -5.839  -7.795  -6.337
  109   1HB   GLU  15          2HB       GLU  15  -7.961  -9.924  -6.072
  110   2HB   GLU  15          1HB       GLU  15  -7.373  -9.287  -7.600
  111   1HG   GLU  15          2HG       GLU  15  -5.128 -10.090  -7.077
  112   2HG   GLU  15          1HG       GLU  15  -5.714 -10.738  -5.549
  113    H    GLN  16           H        GLN  16  -8.545  -7.669  -4.310
  114    HA   GLN  16           HA       GLN  16 -10.188  -6.154  -6.049
  115   1HB   GLN  16          2HB       GLN  16 -10.356  -6.616  -3.070
  116   2HB   GLN  16          1HB       GLN  16 -11.550  -5.659  -3.912
  117   1HG   GLN  16          2HG       GLN  16 -12.566  -7.719  -3.820
  118   2HG   GLN  16          1HG       GLN  16 -11.819  -7.758  -5.405
  119   1HE2  GLN  16          1HE2      GLN  16  -9.870  -9.060  -5.616
  120   2HE2  GLN  16          2HE2      GLN  16  -9.612 -10.408  -4.578
  121    H    LEU  17           H        LEU  17  -7.758  -5.404  -3.769
  122    HA   LEU  17           HA       LEU  17  -8.099  -2.612  -3.450
  123   1HB   LEU  17          2HB       LEU  17  -6.648  -4.308  -2.159
  124   2HB   LEU  17          1HB       LEU  17  -5.514  -4.187  -3.471
  125    HG   LEU  17           HG       LEU  17  -4.690  -2.877  -1.642
  126   1HD1  LEU  17          1HD1      LEU  17  -5.743  -1.021  -3.644
  127   2HD1  LEU  17          2HD1      LEU  17  -4.202  -1.916  -3.669
  128   3HD1  LEU  17          3HD1      LEU  17  -4.504  -0.681  -2.430
  129   1HD2  LEU  17          1HD2      LEU  17  -7.327  -1.477  -1.616
  130   2HD2  LEU  17          2HD2      LEU  17  -5.900  -1.045  -0.667
  131   3HD2  LEU  17          3HD2      LEU  17  -6.693  -2.594  -0.402
  132    H    SER  18           H        SER  18  -6.570  -4.664  -5.867
  133    HA   SER  18           HA       SER  18  -4.990  -2.735  -7.151
  134   1HB   SER  18          2HB       SER  18  -5.969  -5.419  -8.098
  135   2HB   SER  18          1HB       SER  18  -4.659  -4.476  -8.825
  136    HG   SER  18           HG       SER  18  -3.836  -4.466  -6.552
  137    H    GLN  19           H        GLN  19  -8.177  -2.605  -7.076
  138    HA   GLN  19           HA       GLN  19  -8.554  -1.829  -9.889
  139   1HB   GLN  19          2HB       GLN  19 -10.578  -2.081  -7.653
  140   2HB   GLN  19          1HB       GLN  19 -10.937  -1.822  -9.355
  141   1HG   GLN  19          2HG       GLN  19 -10.095  -4.009  -9.908
  142   2HG   GLN  19          1HG       GLN  19  -9.585  -4.267  -8.240
  143   1HE2  GLN  19          1HE2      GLN  19 -11.150  -4.516  -6.677
  144   2HE2  GLN  19          2HE2      GLN  19 -12.744  -5.072  -7.055
  145    H    TYR  20           H        TYR  20  -7.330  -0.549  -7.301
  146    HA   TYR  20           HA       TYR  20  -8.434   2.130  -7.735
  147   1HB   TYR  20          2HB       TYR  20  -7.571   0.854  -5.111
  148   2HB   TYR  20          1HB       TYR  20  -8.029   2.555  -5.309
  149    HD1  TYR  20           1HD      TYR  20 -10.330   3.162  -5.898
  150    HD2  TYR  20           2HD      TYR  20  -9.277  -0.872  -5.070
  151    HE1  TYR  20           1HE      TYR  20 -12.701   2.588  -5.729
  152    HE2  TYR  20           2HE      TYR  20 -11.662  -1.457  -4.890
  153    HH   TYR  20           HH       TYR  20 -13.789  -0.320  -4.444
  154    H    ASN  21           H        ASN  21  -6.469   0.830  -9.057
  155    HA   ASN  21           HA       ASN  21  -3.862   1.775  -8.194
  156   1HB   ASN  21          2HB       ASN  21  -3.057   0.497 -10.136
  157   2HB   ASN  21          1HB       ASN  21  -4.080  -0.492  -9.105
  158   1HD2  ASN  21          1HD2      ASN  21  -3.435  -0.903 -11.848
  159   2HD2  ASN  21          2HD2      ASN  21  -4.915  -0.911 -12.722
  160    H    GLY  22           H        GLY  22  -6.355   3.277  -9.487
  161   1HA   GLY  22          2HA       GLY  22  -6.360   5.408 -10.419
  162   2HA   GLY  22          1HA       GLY  22  -4.677   5.181 -10.850
  163    H    THR  23           H        THR  23  -6.364   2.522 -12.043
  164    HA   THR  23           HA       THR  23  -6.580   3.984 -14.592
  165    HB   THR  23           HB       THR  23  -5.013   1.974 -14.513
  166    HG1  THR  23           1HG      THR  23  -6.540   0.987 -16.418
  167   1HG2  THR  23          1HG2      THR  23  -6.023  -0.266 -14.642
  168   2HG2  THR  23          2HG2      THR  23  -7.614   0.447 -14.365
  169   3HG2  THR  23          3HG2      THR  23  -6.380   0.524 -13.107
  170    H    ASP  24           H        ASP  24  -8.399   2.941 -12.195
  171    HA   ASP  24           HA       ASP  24 -10.556   2.376 -13.836
  172   1HB   ASP  24          2HB       ASP  24 -10.251   2.802 -10.917
  173   2HB   ASP  24          1HB       ASP  24 -11.866   2.970 -11.604
  174    H    GLU  25           H        GLU  25 -12.701   4.153 -13.137
  175    HA   GLU  25           HA       GLU  25 -11.478   6.309 -14.487
  176   1HB   GLU  25          2HB       GLU  25 -14.253   5.151 -14.721
  177   2HB   GLU  25          1HB       GLU  25 -13.642   6.560 -15.587
  178   1HG   GLU  25          2HG       GLU  25 -11.968   5.181 -16.689
  179   2HG   GLU  25          1HG       GLU  25 -12.535   3.771 -15.812
  180    H    SER  26           H        SER  26 -10.964   7.209 -12.731
  181    HA   SER  26           HA       SER  26 -11.371   9.032 -11.366
  182   1HB   SER  26          2HB       SER  26 -14.060   8.338 -12.214
  183   2HB   SER  26          1HB       SER  26 -13.905   9.517 -10.962
  184    HG   SER  26           HG       SER  26 -12.476   9.603 -13.416
  185    H    LYS  27           H        LYS  27 -11.506   6.005 -10.493
  186    HA   LYS  27           HA       LYS  27 -12.872   6.508  -7.988
  187   1HB   LYS  27          2HB       LYS  27 -11.540   3.941  -8.889
  188   2HB   LYS  27          1HB       LYS  27 -12.436   4.135  -7.390
  189   1HG   LYS  27          2HG       LYS  27 -14.358   4.906  -9.000
  190   2HG   LYS  27          1HG       LYS  27 -13.412   4.036 -10.190
  191   1HD   LYS  27          2HD       LYS  27 -14.450   2.848  -7.610
  192   2HD   LYS  27          1HD       LYS  27 -15.138   2.581  -9.204
  193   1HE   LYS  27          2HE       LYS  27 -13.036   1.503  -9.908
  194   2HE   LYS  27          1HE       LYS  27 -12.365   1.790  -8.304
  195   1HZ   LYS  27          1HZ       LYS  27 -13.237  -0.469  -8.548
  196   2HZ   LYS  27          2HZ       LYS  27 -14.755   0.136  -8.890
  197   3HZ   LYS  27          3HZ       LYS  27 -14.103   0.372  -7.361
  198    HA   PRO  28           HA       PRO  28  -9.523   7.793  -5.506
  199   1HB   PRO  28          2HB       PRO  28 -10.214   5.598  -3.622
  200   2HB   PRO  28          1HB       PRO  28  -9.999   7.321  -3.299
  201   1HG   PRO  28          2HG       PRO  28 -12.425   6.285  -3.391
  202   2HG   PRO  28          1HG       PRO  28 -12.105   7.864  -4.129
  203   1HD   PRO  28          2HD       PRO  28 -12.466   5.205  -5.434
  204   2HD   PRO  28          1HD       PRO  28 -13.000   6.820  -5.953
  205    H    ILE  29           H        ILE  29  -7.472   7.322  -4.974
  206    HA   ILE  29           HA       ILE  29  -6.397   4.833  -6.100
  207    HB   ILE  29           HB       ILE  29  -4.783   7.194  -5.127
  208   1HG1  ILE  29          2HG1      ILE  29  -6.435   8.087  -6.742
  209   2HG1  ILE  29          1HG1      ILE  29  -4.784   8.143  -7.377
  210   1HG2  ILE  29          1HG2      ILE  29  -3.601   5.097  -5.654
  211   2HG2  ILE  29          2HG2      ILE  29  -3.169   6.366  -6.804
  212   3HG2  ILE  29          3HG2      ILE  29  -4.311   5.108  -7.269
  213   1HD1  ILE  29          1HD1      ILE  29  -6.930   6.179  -8.044
  214   2HD1  ILE  29          2HD1      ILE  29  -5.262   6.158  -8.635
  215   3HD1  ILE  29          3HD1      ILE  29  -6.330   7.511  -9.056
  216    H    TYR  30           H        TYR  30  -5.243   3.423  -4.672
  217    HA   TYR  30           HA       TYR  30  -4.996   4.313  -1.948
  218   1HB   TYR  30          2HB       TYR  30  -6.422   1.788  -2.819
  219   2HB   TYR  30          1HB       TYR  30  -5.872   2.103  -1.186
  220    HD1  TYR  30           1HD      TYR  30  -6.811   4.369  -0.149
  221    HD2  TYR  30           2HD      TYR  30  -8.633   2.254  -3.349
  222    HE1  TYR  30           1HE      TYR  30  -8.969   5.427   0.384
  223    HE2  TYR  30           2HE      TYR  30 -10.786   3.308  -2.830
  224    HH   TYR  30           HH       TYR  30 -11.043   5.959  -0.710
  225    H    VAL  31           H        VAL  31  -3.379   3.249  -0.891
  226    HA   VAL  31           HA       VAL  31  -1.949   1.233  -2.409
  227    HB   VAL  31           HB       VAL  31  -0.704   3.399  -2.759
  228   1HG1  VAL  31          1HG1      VAL  31   0.411   4.498  -1.063
  229   2HG1  VAL  31          2HG1      VAL  31  -0.203   3.365   0.132
  230   3HG1  VAL  31          3HG1      VAL  31  -1.329   4.499  -0.683
  231   1HG2  VAL  31          1HG2      VAL  31   1.459   2.677  -1.980
  232   2HG2  VAL  31          2HG2      VAL  31   0.489   1.439  -2.825
  233   3HG2  VAL  31          3HG2      VAL  31   0.655   1.383  -1.052
  234    H    ALA  32           H        ALA  32  -0.775  -0.261  -1.076
  235    HA   ALA  32           HA       ALA  32  -1.744  -0.181   1.679
  236   1HB   ALA  32          1HB       ALA  32  -1.380  -2.604  -0.072
  237   2HB   ALA  32          2HB       ALA  32  -2.916  -1.857   0.362
  238   3HB   ALA  32          3HB       ALA  32  -1.912  -2.597   1.609
  239    H    ILE  33           H        ILE  33  -0.220   0.022   3.062
  240    HA   ILE  33           HA       ILE  33   2.350  -1.291   2.578
  241    HB   ILE  33           HB       ILE  33   1.870   1.324   4.062
  242   1HG1  ILE  33          2HG1      ILE  33   3.505   0.669   1.598
  243   2HG1  ILE  33          1HG1      ILE  33   1.965   1.495   1.612
  244   1HG2  ILE  33          1HG2      ILE  33   3.482   0.016   5.327
  245   2HG2  ILE  33          2HG2      ILE  33   4.272   1.380   4.529
  246   3HG2  ILE  33          3HG2      ILE  33   4.442  -0.242   3.869
  247   1HD1  ILE  33          1HD1      ILE  33   2.918   3.361   2.768
  248   2HD1  ILE  33          2HD1      ILE  33   3.850   2.996   1.306
  249   3HD1  ILE  33          3HD1      ILE  33   4.459   2.496   2.907
  250    H    LYS  34           H        LYS  34   2.948  -2.661   3.945
  251    HA   LYS  34           HA       LYS  34   2.980  -4.188   5.541
  252   1HB   LYS  34          2HB       LYS  34   2.956  -2.137   7.142
  253   2HB   LYS  34          1HB       LYS  34   1.228  -2.376   7.272
  254   1HG   LYS  34          2HG       LYS  34   3.362  -4.337   8.114
  255   2HG   LYS  34          1HG       LYS  34   2.455  -3.272   9.180
  256   1HD   LYS  34          2HD       LYS  34   0.388  -4.427   8.595
  257   2HD   LYS  34          1HD       LYS  34   1.260  -5.451   7.457
  258   1HE   LYS  34          2HE       LYS  34   2.590  -6.330   9.361
  259   2HE   LYS  34          1HE       LYS  34   1.596  -5.369  10.452
  260   1HZ   LYS  34          1HZ       LYS  34   0.628  -7.549   8.678
  261   2HZ   LYS  34          2HZ       LYS  34  -0.358  -6.618   9.645
  262   3HZ   LYS  34          3HZ       LYS  34   0.775  -7.629  10.345
  263    H    GLY  35           H        GLY  35  -0.185  -2.774   6.062
  264   1HA   GLY  35          2HA       GLY  35  -1.527  -4.460   4.259
  265   2HA   GLY  35          1HA       GLY  35  -1.785  -5.045   5.886
  266    H    ARG  36           H        ARG  36  -1.222  -1.605   5.469
  267    HA   ARG  36           HA       ARG  36  -3.961  -1.153   6.277
  268   1HB   ARG  36          2HB       ARG  36  -1.539   0.638   6.382
  269   2HB   ARG  36          1HB       ARG  36  -3.055   0.848   7.260
  270   1HG   ARG  36          2HG       ARG  36  -2.508  -1.181   8.588
  271   2HG   ARG  36          1HG       ARG  36  -0.986  -1.289   7.682
  272   1HD   ARG  36          2HD       ARG  36  -0.585  -0.246   9.841
  273   2HD   ARG  36          1HD       ARG  36  -0.336   0.917   8.542
  274    HE   ARG  36           HE       ARG  36  -2.962   0.908   9.730
  275   1HH1  ARG  36          1HH1      ARG  36   0.268   2.398   9.753
  276   2HH1  ARG  36          2HH1      ARG  36  -0.204   3.813  10.535
  277   1HH2  ARG  36          1HH2      ARG  36  -3.616   2.825  10.930
  278   2HH2  ARG  36          2HH2      ARG  36  -2.472   4.039  11.291
  279    H    VAL  37           H        VAL  37  -5.165   0.176   4.932
  280    HA   VAL  37           HA       VAL  37  -3.936   0.829   2.354
  281    HB   VAL  37           HB       VAL  37  -6.846   0.460   3.096
  282   1HG1  VAL  37          1HG1      VAL  37  -7.301   0.724   0.699
  283   2HG1  VAL  37          2HG1      VAL  37  -5.589   1.050   0.430
  284   3HG1  VAL  37          3HG1      VAL  37  -6.565   2.194   1.352
  285   1HG2  VAL  37          1HG2      VAL  37  -5.563  -1.574   2.978
  286   2HG2  VAL  37          2HG2      VAL  37  -4.958  -1.114   1.389
  287   3HG2  VAL  37          3HG2      VAL  37  -6.674  -1.465   1.611
  288    H    PHE  38           H        PHE  38  -3.623   2.835   1.770
  289    HA   PHE  38           HA       PHE  38  -4.823   4.986   3.424
  290   1HB   PHE  38          2HB       PHE  38  -2.347   5.431   1.834
  291   2HB   PHE  38          1HB       PHE  38  -2.815   6.116   3.386
  292    HD1  PHE  38           1HD      PHE  38  -2.958   4.343   5.323
  293    HD2  PHE  38           2HD      PHE  38  -0.738   3.930   1.791
  294    HE1  PHE  38           1HE      PHE  38  -1.561   2.644   6.416
  295    HE2  PHE  38           2HE      PHE  38   0.664   2.244   2.834
  296    HZ   PHE  38           HZ       PHE  38   0.245   1.587   5.181
  297    H    ASP  39           H        ASP  39  -5.495   6.841   2.289
  298    HA   ASP  39           HA       ASP  39  -6.105   6.392  -0.521
  299   1HB   ASP  39          2HB       ASP  39  -7.856   7.440   0.858
  300   2HB   ASP  39          1HB       ASP  39  -6.768   8.769   1.240
  301    H    VAL  40           H        VAL  40  -4.845   6.979  -2.067
  302    HA   VAL  40           HA       VAL  40  -3.014   9.193  -1.565
  303    HB   VAL  40           HB       VAL  40  -1.519   8.152  -3.363
  304   1HG1  VAL  40          1HG1      VAL  40  -0.949   8.115  -1.019
  305   2HG1  VAL  40          2HG1      VAL  40  -0.455   6.642  -1.842
  306   3HG1  VAL  40          3HG1      VAL  40  -1.893   6.633  -0.796
  307   1HG2  VAL  40          1HG2      VAL  40  -1.694   5.730  -3.644
  308   2HG2  VAL  40          2HG2      VAL  40  -3.087   6.587  -4.291
  309   3HG2  VAL  40          3HG2      VAL  40  -3.212   5.741  -2.744
  310    H    THR  41           H        THR  41  -5.764   9.101  -2.623
  311    HA   THR  41           HA       THR  41  -5.633   9.791  -5.381
  312    HB   THR  41           HB       THR  41  -7.717  10.680  -3.357
  313    HG1  THR  41           1HG      THR  41  -7.948   8.593  -3.077
  314   1HG2  THR  41          1HG2      THR  41  -7.882  11.645  -5.629
  315   2HG2  THR  41          2HG2      THR  41  -9.227  10.560  -5.288
  316   3HG2  THR  41          3HG2      THR  41  -7.896  10.017  -6.311
  317    H    THR  42           H        THR  42  -5.135  11.304  -2.341
  318    HA   THR  42           HA       THR  42  -5.227  14.024  -2.997
  319    HB   THR  42           HB       THR  42  -3.712  14.245  -0.979
  320    HG1  THR  42           1HG      THR  42  -4.055  11.606  -0.265
  321   1HG2  THR  42          1HG2      THR  42  -5.396  13.421   0.621
  322   2HG2  THR  42          2HG2      THR  42  -6.139  12.460  -0.655
  323   3HG2  THR  42          3HG2      THR  42  -6.170  14.222  -0.748
  324    H    GLY  43           H        GLY  43  -2.943  11.552  -3.674
  325   1HA   GLY  43          2HA       GLY  43  -1.218  13.507  -5.010
  326   2HA   GLY  43          1HA       GLY  43  -0.531  12.180  -4.068
  327    H    LYS  44           H        LYS  44  -3.360  12.192  -6.190
  328    HA   LYS  44           HA       LYS  44  -2.940   9.720  -7.340
  329   1HB   LYS  44          2HB       LYS  44  -5.059  10.869  -7.482
  330   2HB   LYS  44          1HB       LYS  44  -4.357  12.117  -8.497
  331   1HG   LYS  44          2HG       LYS  44  -3.885  10.355 -10.201
  332   2HG   LYS  44          1HG       LYS  44  -4.806   9.226  -9.207
  333   1HD   LYS  44          2HD       LYS  44  -6.748  10.696  -9.357
  334   2HD   LYS  44          1HD       LYS  44  -5.770  11.804 -10.319
  335   1HE   LYS  44          2HE       LYS  44  -5.495  10.088 -12.050
  336   2HE   LYS  44          1HE       LYS  44  -6.499   8.984 -11.114
  337   1HZ   LYS  44          1HZ       LYS  44  -8.345  10.551 -11.351
  338   2HZ   LYS  44          2HZ       LYS  44  -7.769  10.040 -12.849
  339   3HZ   LYS  44          3HZ       LYS  44  -7.359  11.573 -12.277
  340    H    SER  45           H        SER  45  -1.747  12.851  -8.373
  341    HA   SER  45           HA       SER  45  -0.781  12.274 -10.888
  342   1HB   SER  45          2HB       SER  45   0.466  14.069  -8.802
  343   2HB   SER  45          1HB       SER  45   0.772  14.139 -10.541
  344    HG   SER  45           HG       SER  45  -0.877  15.358 -10.653
  345    H    PHE  46           H        PHE  46   0.520  11.298  -7.793
  346    HA   PHE  46           HA       PHE  46   3.063  10.459  -8.904
  347   1HB   PHE  46          2HB       PHE  46   1.860  10.060  -6.162
  348   2HB   PHE  46          1HB       PHE  46   3.496   9.631  -6.612
  349    HD1  PHE  46           1HD      PHE  46   5.091  11.474  -7.201
  350    HD2  PHE  46           2HD      PHE  46   1.281  12.198  -5.469
  351    HE1  PHE  46           1HE      PHE  46   5.848  13.685  -6.474
  352    HE2  PHE  46           2HE      PHE  46   2.024  14.425  -4.740
  353    HZ   PHE  46           HZ       PHE  46   4.309  15.173  -5.238
  354    H    TYR  47           H        TYR  47   0.078   9.049  -7.609
  355    HA   TYR  47           HA       TYR  47   1.097   6.392  -8.073
  356   1HB   TYR  47          2HB       TYR  47  -1.318   7.393  -6.586
  357   2HB   TYR  47          1HB       TYR  47  -0.892   5.690  -6.718
  358    HD1  TYR  47           1HD      TYR  47   0.140   8.948  -5.344
  359    HD2  TYR  47           2HD      TYR  47   0.880   4.770  -5.389
  360    HE1  TYR  47           1HE      TYR  47   1.652   9.208  -3.426
  361    HE2  TYR  47           2HE      TYR  47   2.395   5.016  -3.460
  362    HH   TYR  47           HH       TYR  47   3.750   6.737  -2.418
  363    H    GLY  48           H        GLY  48  -2.168   7.871  -8.658
  364   1HA   GLY  48          2HA       GLY  48  -2.614   5.782 -10.630
  365   2HA   GLY  48          1HA       GLY  48  -3.815   6.845  -9.917
  366    H    SER  49           H        SER  49  -0.815   7.617 -11.493
  367    HA   SER  49           HA       SER  49  -2.285   8.858 -13.709
  368   1HB   SER  49          2HB       SER  49  -1.826  10.618 -12.041
  369   2HB   SER  49          1HB       SER  49  -0.117  10.203 -12.063
  370    HG   SER  49           HG       SER  49  -0.629  10.641 -14.523
  371    H    GLY  50           H        GLY  50  -0.431   6.465 -13.068
  372   1HA   GLY  50          2HA       GLY  50   1.215   5.310 -14.171
  373   2HA   GLY  50          1HA       GLY  50   1.076   6.493 -15.468
  374    H    GLY  51           H        GLY  51   1.878   7.125 -12.118
  375   1HA   GLY  51          2HA       GLY  51   4.388   8.460 -12.917
  376   2HA   GLY  51          1HA       GLY  51   3.615   8.486 -11.321
  377    H    ASP  52           H        ASP  52   5.909   8.200 -10.875
  378    HA   ASP  52           HA       ASP  52   6.946   5.605 -11.467
  379   1HB   ASP  52          2HB       ASP  52   8.901   6.259 -10.306
  380   2HB   ASP  52          1HB       ASP  52   8.399   7.576 -11.319
  381    H    TYR  53           H        TYR  53   4.918   6.894  -9.147
  382    HA   TYR  53           HA       TYR  53   5.419   4.749  -7.226
  383   1HB   TYR  53          2HB       TYR  53   3.500   7.083  -7.126
  384   2HB   TYR  53          1HB       TYR  53   3.748   5.916  -5.840
  385    HD1  TYR  53           1HD      TYR  53   5.108   8.813  -7.581
  386    HD2  TYR  53           2HD      TYR  53   5.767   5.990  -4.476
  387    HE1  TYR  53           1HE      TYR  53   6.854  10.257  -6.649
  388    HE2  TYR  53           2HE      TYR  53   7.523   7.432  -3.535
  389    HH   TYR  53           HH       TYR  53   9.018   9.182  -4.304
  390    H    SER  54           H        SER  54   4.097   4.703 -10.049
  391    HA   SER  54           HA       SER  54   1.372   4.078  -9.631
  392   1HB   SER  54          2HB       SER  54   2.366   4.850 -11.809
  393   2HB   SER  54          1HB       SER  54   3.143   3.270 -11.930
  394    HG   SER  54           HG       SER  54   0.341   3.766 -11.845
  395    H    MET  55           H        MET  55   4.244   2.281  -9.083
  396    HA   MET  55           HA       MET  55   3.067  -0.330  -9.511
  397   1HB   MET  55          2HB       MET  55   5.465   0.042  -7.742
  398   2HB   MET  55          1HB       MET  55   5.104  -1.268  -8.844
  399   1HG   MET  55          2HG       MET  55   6.320   1.392  -9.381
  400   2HG   MET  55          1HG       MET  55   6.911  -0.181  -9.752
  401   1HE   MET  55          1HE       MET  55   6.059  -1.763 -11.708
  402   2HE   MET  55          2HE       MET  55   4.742  -1.353 -12.803
  403   3HE   MET  55          3HE       MET  55   4.406  -1.659 -11.098
  404    H    PHE  56           H        PHE  56   3.045   2.032  -7.173
  405    HA   PHE  56           HA       PHE  56   2.589   0.373  -4.838
  406   1HB   PHE  56          2HB       PHE  56   2.496   3.361  -5.292
  407   2HB   PHE  56          1HB       PHE  56   2.284   2.587  -3.740
  408    HD1  PHE  56           1HD      PHE  56   4.833   2.342  -6.510
  409    HD2  PHE  56           2HD      PHE  56   4.053   2.951  -2.373
  410    HE1  PHE  56           1HE      PHE  56   7.236   2.618  -6.102
  411    HE2  PHE  56           2HE      PHE  56   6.436   3.218  -1.955
  412    HZ   PHE  56           HZ       PHE  56   8.052   3.051  -3.822
  413    H    ALA  57           H        ALA  57   0.943   2.581  -6.974
  414    HA   ALA  57           HA       ALA  57  -1.534   2.845  -5.829
  415   1HB   ALA  57          1HB       ALA  57  -2.364   3.409  -8.036
  416   2HB   ALA  57          2HB       ALA  57  -0.982   2.611  -8.778
  417   3HB   ALA  57          3HB       ALA  57  -0.737   4.073  -7.830
  418    H    GLY  58           H        GLY  58  -2.866   1.335  -5.147
  419   1HA   GLY  58          2HA       GLY  58  -4.191  -0.440  -5.039
  420   2HA   GLY  58          1HA       GLY  58  -4.163  -0.612  -6.757
  421    H    LYS  59           H        LYS  59  -1.291  -0.747  -4.730
  422    HA   LYS  59           HA       LYS  59  -1.370  -3.612  -4.801
  423   1HB   LYS  59          2HB       LYS  59  -0.298  -3.133  -6.934
  424   2HB   LYS  59          1HB       LYS  59   0.782  -2.003  -6.160
  425   1HG   LYS  59          2HG       LYS  59   1.857  -4.131  -6.788
  426   2HG   LYS  59          1HG       LYS  59   1.945  -3.754  -5.072
  427   1HD   LYS  59          2HD       LYS  59   1.527  -6.115  -5.538
  428   2HD   LYS  59          1HD       LYS  59   0.258  -5.412  -4.563
  429   1HE   LYS  59          2HE       LYS  59  -0.681  -6.877  -6.262
  430   2HE   LYS  59          1HE       LYS  59  -1.121  -5.212  -6.656
  431   1HZ   LYS  59          1HZ       LYS  59   1.060  -6.809  -7.891
  432   2HZ   LYS  59          2HZ       LYS  59   0.674  -5.223  -8.312
  433   3HZ   LYS  59          3HZ       LYS  59  -0.411  -6.460  -8.595
  434    H    ASP  60           H        ASP  60  -0.679  -4.442  -3.089
  435    HA   ASP  60           HA       ASP  60   0.412  -3.123  -0.905
  436   1HB   ASP  60          2HB       ASP  60   1.114  -5.543  -0.266
  437   2HB   ASP  60          1HB       ASP  60  -0.599  -5.144  -0.367
  438    H    ALA  61           H        ALA  61   2.188  -2.101  -0.874
  439    HA   ALA  61           HA       ALA  61   4.468  -3.067  -2.470
  440   1HB   ALA  61          1HB       ALA  61   3.859  -0.271  -1.530
  441   2HB   ALA  61          2HB       ALA  61   3.550  -0.902  -3.147
  442   3HB   ALA  61          3HB       ALA  61   5.206  -0.752  -2.563
  443    H    SER  62           H        SER  62   3.673  -3.706   0.375
  444    HA   SER  62           HA       SER  62   5.195  -2.445   2.305
  445   1HB   SER  62          2HB       SER  62   4.611  -5.392   2.180
  446   2HB   SER  62          1HB       SER  62   4.805  -4.369   3.609
  447    HG   SER  62           HG       SER  62   2.595  -4.800   3.058
  448    H    ARG  63           H        ARG  63   6.046  -5.336   0.420
  449    HA   ARG  63           HA       ARG  63   8.669  -5.545   1.485
  450   1HB   ARG  63          2HB       ARG  63   7.659  -7.517   0.709
  451   2HB   ARG  63          1HB       ARG  63   7.284  -6.823  -0.856
  452   1HG   ARG  63          2HG       ARG  63   9.682  -6.781  -1.387
  453   2HG   ARG  63          1HG       ARG  63  10.037  -7.469   0.198
  454   1HD   ARG  63          2HD       ARG  63   8.864  -9.486  -0.371
  455   2HD   ARG  63          1HD       ARG  63   8.332  -8.787  -1.902
  456    HE   ARG  63           HE       ARG  63  10.853  -8.596  -2.300
  457   1HH1  ARG  63          1HH1      ARG  63   9.180 -11.290  -0.757
  458   2HH1  ARG  63          2HH1      ARG  63  10.329 -12.466  -1.169
  459   1HH2  ARG  63          1HH2      ARG  63  12.445 -10.189  -2.885
  460   2HH2  ARG  63          2HH2      ARG  63  12.265 -11.818  -2.422
  461    H    ALA  64           H        ALA  64   7.286  -3.868  -1.190
  462    HA   ALA  64           HA       ALA  64   9.606  -3.717  -2.835
  463   1HB   ALA  64          1HB       ALA  64   7.379  -3.453  -3.784
  464   2HB   ALA  64          2HB       ALA  64   8.347  -2.017  -4.080
  465   3HB   ALA  64          3HB       ALA  64   7.117  -2.008  -2.811
  466    H    LEU  65           H        LEU  65   8.162  -1.899  -0.366
  467    HA   LEU  65           HA       LEU  65   9.640   0.462  -0.463
  468   1HB   LEU  65          2HB       LEU  65   8.331  -1.027   1.733
  469   2HB   LEU  65          1HB       LEU  65   8.965   0.588   1.909
  470    HG   LEU  65           HG       LEU  65   6.676  -0.328   0.205
  471   1HD1  LEU  65          1HD1      LEU  65   5.436   1.232   1.610
  472   2HD1  LEU  65          2HD1      LEU  65   6.871   1.478   2.610
  473   3HD1  LEU  65          3HD1      LEU  65   6.121  -0.106   2.507
  474   1HD2  LEU  65          1HD2      LEU  65   7.964   2.317   0.467
  475   2HD2  LEU  65          2HD2      LEU  65   6.402   2.033  -0.321
  476   3HD2  LEU  65          3HD2      LEU  65   7.899   1.339  -1.007
  477    H    GLY  66           H        GLY  66  10.250  -2.581   1.228
  478   1HA   GLY  66          2HA       GLY  66  12.572  -1.455   2.528
  479   2HA   GLY  66          1HA       GLY  66  11.997  -3.106   2.692
  480    H    LYS  67           H        LYS  67  11.896  -3.270  -0.280
  481    HA   LYS  67           HA       LYS  67  14.684  -4.066  -0.595
  482   1HB   LYS  67          2HB       LYS  67  12.446  -4.425  -2.575
  483   2HB   LYS  67          1HB       LYS  67  13.955  -5.308  -2.480
  484   1HG   LYS  67          2HG       LYS  67  11.676  -5.462  -0.518
  485   2HG   LYS  67          1HG       LYS  67  12.035  -6.663  -1.738
  486   1HD   LYS  67          2HD       LYS  67  13.724  -5.927   0.665
  487   2HD   LYS  67          1HD       LYS  67  12.773  -7.395   0.445
  488   1HE   LYS  67          2HE       LYS  67  14.232  -7.863  -1.583
  489   2HE   LYS  67          1HE       LYS  67  15.118  -6.441  -1.001
  490   1HZ   LYS  67          1HZ       LYS  67  15.753  -7.503   0.981
  491   2HZ   LYS  67          2HZ       LYS  67  16.097  -8.577  -0.273
  492   3HZ   LYS  67          3HZ       LYS  67  14.742  -8.827   0.679
  493    H    MET  68           H        MET  68  12.350  -1.779  -1.754
  494    HA   MET  68           HA       MET  68  12.461   0.205  -2.711
  495   1HB   MET  68          2HB       MET  68  15.461  -0.216  -2.969
  496   2HB   MET  68          1HB       MET  68  14.618   1.285  -3.337
  497   1HG   MET  68          2HG       MET  68  13.914   1.394  -0.965
  498   2HG   MET  68          1HG       MET  68  14.831  -0.071  -0.669
  499   1HE   MET  68          1HE       MET  68  16.743   3.945  -1.901
  500   2HE   MET  68          2HE       MET  68  15.008   3.704  -1.676
  501   3HE   MET  68          3HE       MET  68  15.838   2.940  -3.027
  502    H    SER  69           H        SER  69  12.268  -2.390  -3.845
  503    HA   SER  69           HA       SER  69  13.043  -2.075  -6.635
  504   1HB   SER  69          2HB       SER  69  11.777  -4.452  -5.187
  505   2HB   SER  69          1HB       SER  69  12.521  -4.382  -6.763
  506    HG   SER  69           HG       SER  69  14.128  -3.405  -4.834
  507    H    LYS  70           H        LYS  70  11.598  -2.166  -8.265
  508    HA   LYS  70           HA       LYS  70   8.996  -0.939  -7.568
  509   1HB   LYS  70          2HB       LYS  70  10.770  -0.644  -9.967
  510   2HB   LYS  70          1HB       LYS  70   9.303   0.282  -9.641
  511   1HG   LYS  70          2HG       LYS  70  10.247   1.447  -7.909
  512   2HG   LYS  70          1HG       LYS  70  11.501   0.245  -7.639
  513   1HD   LYS  70          2HD       LYS  70  12.500   0.878  -9.786
  514   2HD   LYS  70          1HD       LYS  70  11.237   2.085  -9.965
  515   1HE   LYS  70          2HE       LYS  70  13.291   3.140  -9.127
  516   2HE   LYS  70          1HE       LYS  70  12.029   3.184  -7.898
  517   1HZ   LYS  70          1HZ       LYS  70  14.265   1.201  -7.975
  518   2HZ   LYS  70          2HZ       LYS  70  13.119   1.317  -6.747
  519   3HZ   LYS  70          3HZ       LYS  70  14.197   2.555  -6.996
  520    H    ASN  71           H        ASN  71  10.623  -3.396  -9.178
  521    HA   ASN  71           HA       ASN  71   8.825  -4.304 -11.098
  522   1HB   ASN  71          2HB       ASN  71   9.898  -6.564 -10.705
  523   2HB   ASN  71          1HB       ASN  71  11.021  -5.257 -11.048
  524   1HD2  ASN  71          1HD2      ASN  71  11.425  -7.838  -9.602
  525   2HD2  ASN  71          2HD2      ASN  71  12.055  -7.341  -8.071
  526    H    GLU  72           H        GLU  72   6.842  -5.102 -10.936
  527    HA   GLU  72           HA       GLU  72   5.414  -5.241  -8.538
  528   1HB   GLU  72          2HB       GLU  72   4.742  -6.540 -11.171
  529   2HB   GLU  72          1HB       GLU  72   3.614  -6.279  -9.854
  530   1HG   GLU  72          2HG       GLU  72   3.846  -3.878 -10.082
  531   2HG   GLU  72          1HG       GLU  72   5.051  -4.092 -11.349
  532    H    GLU  73           H        GLU  73   7.402  -7.585  -9.991
  533    HA   GLU  73           HA       GLU  73   6.344  -9.946  -8.846
  534   1HB   GLU  73          2HB       GLU  73   7.931  -9.789 -10.747
  535   2HB   GLU  73          1HB       GLU  73   9.185  -9.308  -9.622
  536   1HG   GLU  73          2HG       GLU  73   9.408 -11.651 -10.182
  537   2HG   GLU  73          1HG       GLU  73   8.993 -11.458  -8.479
  538    H    ASP  74           H        ASP  74   8.458  -7.406  -7.645
  539    HA   ASP  74           HA       ASP  74   9.046  -8.939  -5.221
  540   1HB   ASP  74          2HB       ASP  74  10.924  -7.725  -6.342
  541   2HB   ASP  74          1HB       ASP  74  10.064  -6.218  -6.085
  542    H    VAL  75           H        VAL  75   7.141  -6.366  -6.454
  543    HA   VAL  75           HA       VAL  75   6.488  -5.124  -3.972
  544    HB   VAL  75           HB       VAL  75   4.666  -5.184  -6.428
  545   1HG1  VAL  75          1HG1      VAL  75   3.720  -4.201  -4.377
  546   2HG1  VAL  75          2HG1      VAL  75   3.961  -3.008  -5.686
  547   3HG1  VAL  75          3HG1      VAL  75   5.083  -3.068  -4.351
  548   1HG2  VAL  75          1HG2      VAL  75   6.922  -3.274  -5.896
  549   2HG2  VAL  75          2HG2      VAL  75   5.733  -3.166  -7.199
  550   3HG2  VAL  75          3HG2      VAL  75   6.879  -4.518  -7.151
  551    H    SER  76           H        SER  76   5.353  -5.931  -2.363
  552    HA   SER  76           HA       SER  76   3.380  -7.995  -2.626
  553   1HB   SER  76          2HB       SER  76   5.555  -9.148  -3.090
  554   2HB   SER  76          1HB       SER  76   6.158  -8.591  -1.542
  555    HG   SER  76           HG       SER  76   4.130 -10.451  -2.096
  556    HA   PRO  77           HA       PRO  77   2.637  -6.172   1.438
  557   1HB   PRO  77          2HB       PRO  77   1.048  -7.947   2.594
  558   2HB   PRO  77          1HB       PRO  77   0.514  -7.089   1.140
  559   1HG   PRO  77          2HG       PRO  77   1.576  -9.871   1.432
  560   2HG   PRO  77          1HG       PRO  77   0.235  -9.293   0.433
  561   1HD   PRO  77          2HD       PRO  77   2.778  -9.771  -0.507
  562   2HD   PRO  77          1HD       PRO  77   1.620  -8.661  -1.269
  563    H    SER  78           H        SER  78   4.786  -8.437   1.089
  564    HA   SER  78           HA       SER  78   4.934  -9.563   3.742
  565   1HB   SER  78          2HB       SER  78   5.407 -10.932   1.739
  566   2HB   SER  78          1HB       SER  78   6.738  -9.814   1.393
  567    HG   SER  78           HG       SER  78   6.605 -11.908   3.113
  568    H    LEU  79           H        LEU  79   6.326  -9.056   5.220
  569    HA   LEU  79           HA       LEU  79   8.805  -7.796   4.705
  570   1HB   LEU  79          2HB       LEU  79   8.547  -6.142   6.648
  571   2HB   LEU  79          1HB       LEU  79   7.738  -5.703   5.166
  572    HG   LEU  79           HG       LEU  79   6.205  -7.028   7.418
  573   1HD1  LEU  79          1HD1      LEU  79   6.579  -4.062   6.944
  574   2HD1  LEU  79          2HD1      LEU  79   7.390  -4.936   8.229
  575   3HD1  LEU  79          3HD1      LEU  79   5.629  -4.803   8.230
  576   1HD2  LEU  79          1HD2      LEU  79   4.331  -5.925   6.298
  577   2HD2  LEU  79          2HD2      LEU  79   5.287  -6.852   5.098
  578   3HD2  LEU  79          3HD2      LEU  79   5.499  -5.123   5.243
  579    H    GLU  80           H        GLU  80   9.553  -9.745   5.191
  580    HA   GLU  80           HA       GLU  80   9.218 -10.587   7.966
  581   1HB   GLU  80          2HB       GLU  80   7.481 -11.579   6.639
  582   2HB   GLU  80          1HB       GLU  80   8.679 -12.275   5.561
  583   1HG   GLU  80          2HG       GLU  80   9.571 -13.566   7.323
  584   2HG   GLU  80          1HG       GLU  80   8.486 -12.695   8.422
  585    H    GLY  81           H        GLY  81  10.651 -11.719   4.903
  586   1HA   GLY  81          2HA       GLY  81  12.847 -12.887   6.374
  587   2HA   GLY  81          1HA       GLY  81  12.549 -13.043   4.638
  588    H    LEU  82           H        LEU  82  13.057 -10.522   6.955
  589    HA   LEU  82           HA       LEU  82  14.986  -9.174   5.251
  590   1HB   LEU  82          2HB       LEU  82  12.513  -8.124   6.570
  591   2HB   LEU  82          1HB       LEU  82  13.707  -7.148   5.753
  592    HG   LEU  82           HG       LEU  82  12.189  -9.303   4.311
  593   1HD1  LEU  82          1HD1      LEU  82  11.601  -6.400   4.660
  594   2HD1  LEU  82          2HD1      LEU  82  10.635  -7.800   5.271
  595   3HD1  LEU  82          3HD1      LEU  82  10.803  -7.494   3.514
  596   1HD2  LEU  82          1HD2      LEU  82  12.840  -8.085   2.388
  597   2HD2  LEU  82          2HD2      LEU  82  14.316  -8.300   3.386
  598   3HD2  LEU  82          3HD2      LEU  82  13.405  -6.780   3.406
  599    H    THR  83           H        THR  83  16.557  -8.387   6.512
  600    HA   THR  83           HA       THR  83  16.365  -8.738   9.374
  601    HB   THR  83           HB       THR  83  18.497  -9.368   8.186
  602    HG1  THR  83           1HG      THR  83  18.655  -8.920  10.324
  603   1HG2  THR  83          1HG2      THR  83  20.036  -7.579   7.460
  604   2HG2  THR  83          2HG2      THR  83  18.787  -6.376   7.797
  605   3HG2  THR  83          3HG2      THR  83  18.545  -7.564   6.516
  606    H    GLU  84           H        GLU  84  17.754  -6.576  10.409
  607    HA   GLU  84           HA       GLU  84  15.606  -4.787  10.596
  608   1HB   GLU  84          2HB       GLU  84  17.394  -5.131  12.353
  609   2HB   GLU  84          1HB       GLU  84  18.431  -4.094  11.379
  610   1HG   GLU  84          2HG       GLU  84  16.611  -2.358  11.506
  611   2HG   GLU  84          1HG       GLU  84  15.835  -3.386  12.675
  612    H    LYS  85           H        LYS  85  18.644  -4.540   8.772
  613    HA   LYS  85           HA       LYS  85  18.566  -1.948   7.806
  614   1HB   LYS  85          2HB       LYS  85  20.388  -3.438   7.282
  615   2HB   LYS  85          1HB       LYS  85  19.318  -4.491   6.364
  616   1HG   LYS  85          2HG       LYS  85  18.856  -2.461   4.907
  617   2HG   LYS  85          1HG       LYS  85  20.302  -1.747   5.643
  618   1HD   LYS  85          2HD       LYS  85  20.100  -4.335   4.129
  619   2HD   LYS  85          1HD       LYS  85  20.772  -2.833   3.507
  620   1HE   LYS  85          2HE       LYS  85  22.531  -2.919   5.203
  621   2HE   LYS  85          1HE       LYS  85  21.859  -4.418   5.832
  622   1HZ   LYS  85          1HZ       LYS  85  23.711  -4.825   4.316
  623   2HZ   LYS  85          2HZ       LYS  85  22.865  -4.052   3.071
  624   3HZ   LYS  85          3HZ       LYS  85  22.261  -5.480   3.748
  625    H    GLU  86           H        GLU  86  17.181  -4.843   6.401
  626    HA   GLU  86           HA       GLU  86  16.145  -3.878   4.050
  627   1HB   GLU  86          2HB       GLU  86  15.447  -6.106   5.866
  628   2HB   GLU  86          1HB       GLU  86  14.796  -5.974   4.248
  629   1HG   GLU  86          2HG       GLU  86  17.707  -6.213   4.991
  630   2HG   GLU  86          1HG       GLU  86  16.679  -7.527   4.434
  631    H    ILE  87           H        ILE  87  14.661  -4.475   7.165
  632    HA   ILE  87           HA       ILE  87  12.117  -3.598   6.301
  633    HB   ILE  87           HB       ILE  87  13.229  -4.120   9.007
  634   1HG1  ILE  87          2HG1      ILE  87  11.599  -5.835   7.122
  635   2HG1  ILE  87          1HG1      ILE  87  13.194  -6.054   7.727
  636   1HG2  ILE  87          1HG2      ILE  87  10.358  -3.690   8.154
  637   2HG2  ILE  87          2HG2      ILE  87  11.325  -2.579   9.134
  638   3HG2  ILE  87          3HG2      ILE  87  10.858  -4.159   9.792
  639   1HD1  ILE  87          1HD1      ILE  87  12.441  -6.398   9.954
  640   2HD1  ILE  87          2HD1      ILE  87  11.586  -7.521   8.871
  641   3HD1  ILE  87          3HD1      ILE  87  10.786  -6.052   9.477
  642    H    ASN  88           H        ASN  88  14.743  -2.082   8.202
  643    HA   ASN  88           HA       ASN  88  13.498   0.274   9.009
  644   1HB   ASN  88          2HB       ASN  88  16.326  -0.150   8.109
  645   2HB   ASN  88          1HB       ASN  88  15.735   1.402   8.675
  646   1HD2  ASN  88          1HD2      ASN  88  17.848  -0.210   9.772
  647   2HD2  ASN  88          2HD2      ASN  88  17.432  -0.646  11.382
  648    H    THR  89           H        THR  89  14.785  -0.589   5.964
  649    HA   THR  89           HA       THR  89  14.756   1.877   4.712
  650    HB   THR  89           HB       THR  89  14.326  -0.879   3.559
  651    HG1  THR  89           1HG      THR  89  16.284  -0.881   4.598
  652   1HG2  THR  89          1HG2      THR  89  13.721   0.887   2.062
  653   2HG2  THR  89          2HG2      THR  89  15.245   0.129   1.533
  654   3HG2  THR  89          3HG2      THR  89  15.256   1.702   2.379
  655    H    LEU  90           H        LEU  90  12.216  -0.578   5.078
  656    HA   LEU  90           HA       LEU  90  10.302   0.810   3.434
  657   1HB   LEU  90          2HB       LEU  90   9.459  -1.193   3.335
  658   2HB   LEU  90          1HB       LEU  90  10.523  -1.861   4.497
  659    HG   LEU  90           HG       LEU  90   8.686  -0.607   6.067
  660   1HD1  LEU  90          1HD1      LEU  90   6.499  -1.118   5.280
  661   2HD1  LEU  90          2HD1      LEU  90   7.169  -1.552   3.709
  662   3HD1  LEU  90          3HD1      LEU  90   7.324   0.103   4.311
  663   1HD2  LEU  90          1HD2      LEU  90   8.489  -3.346   4.953
  664   2HD2  LEU  90          2HD2      LEU  90   7.772  -2.720   6.465
  665   3HD2  LEU  90          3HD2      LEU  90   9.542  -2.856   6.297
  666    H    ASN  91           H        ASN  91  11.064   0.331   6.767
  667    HA   ASN  91           HA       ASN  91   8.940   1.503   8.048
  668   1HB   ASN  91          2HB       ASN  91  11.854   1.744   8.746
  669   2HB   ASN  91          1HB       ASN  91  10.532   2.181   9.791
  670   1HD2  ASN  91          1HD2      ASN  91   8.957  -0.316   8.864
  671   2HD2  ASN  91          2HD2      ASN  91   9.764  -1.560   9.714
  672    H    ASP  92           H        ASP  92  11.633   3.090   6.423
  673    HA   ASP  92           HA       ASP  92  11.051   5.755   7.197
  674   1HB   ASP  92          2HB       ASP  92  13.162   5.153   6.031
  675   2HB   ASP  92          1HB       ASP  92  12.241   4.799   4.574
  676    H    TRP  93           H        TRP  93  10.090   3.818   4.461
  677    HA   TRP  93           HA       TRP  93   8.368   5.624   3.191
  678   1HB   TRP  93          2HB       TRP  93   8.653   2.692   3.258
  679   2HB   TRP  93          1HB       TRP  93   7.401   3.370   2.267
  680    HD1  TRP  93           HD       TRP  93  10.925   2.295   2.186
  681    HE1  TRP  93           1HE      TRP  93  12.120   3.084   0.064
  682    HE3  TRP  93           3HE      TRP  93   7.508   5.754   0.597
  683    HZ2  TRP  93           2HZ      TRP  93  11.681   4.957  -2.021
  684    HZ3  TRP  93           3HZ      TRP  93   7.974   7.004  -1.463
  685    HH2  TRP  93           HH       TRP  93  10.020   6.612  -2.748
  686    H    GLU  94           H        GLU  94   7.762   3.296   5.745
  687    HA   GLU  94           HA       GLU  94   4.973   3.554   5.813
  688   1HB   GLU  94          2HB       GLU  94   6.863   3.034   8.109
  689   2HB   GLU  94          1HB       GLU  94   5.120   2.857   8.196
  690   1HG   GLU  94          2HG       GLU  94   5.223   1.127   6.482
  691   2HG   GLU  94          1HG       GLU  94   6.979   1.272   6.433
  692    H    THR  95           H        THR  95   7.461   5.284   7.417
  693    HA   THR  95           HA       THR  95   6.033   7.106   8.997
  694    HB   THR  95           HB       THR  95   8.641   7.588   7.547
  695    HG1  THR  95           1HG      THR  95   8.942   5.721   8.785
  696   1HG2  THR  95          1HG2      THR  95   9.150   9.066   9.480
  697   2HG2  THR  95          2HG2      THR  95   7.546   8.745  10.136
  698   3HG2  THR  95          3HG2      THR  95   7.716   9.611   8.609
  699    H    LYS  96           H        LYS  96   6.808   7.064   5.616
  700    HA   LYS  96           HA       LYS  96   6.153   9.770   5.101
  701   1HB   LYS  96          2HB       LYS  96   6.545   7.450   3.220
  702   2HB   LYS  96          1HB       LYS  96   6.453   9.147   2.745
  703   1HG   LYS  96          2HG       LYS  96   8.469   8.067   4.674
  704   2HG   LYS  96          1HG       LYS  96   8.836   8.225   2.978
  705   1HD   LYS  96          2HD       LYS  96   8.420  10.652   3.150
  706   2HD   LYS  96          1HD       LYS  96   8.027  10.466   4.857
  707   1HE   LYS  96          2HE       LYS  96  10.321  11.275   4.515
  708   2HE   LYS  96          1HE       LYS  96  10.276   9.715   5.326
  709   1HZ   LYS  96          1HZ       LYS  96  10.726   9.997   2.403
  710   2HZ   LYS  96          2HZ       LYS  96  11.028   8.625   3.392
  711   3HZ   LYS  96          3HZ       LYS  96  11.953   9.984   3.539
  712    H    PHE  97           H        PHE  97   4.322   6.714   4.874
  713    HA   PHE  97           HA       PHE  97   2.098   8.175   3.773
  714   1HB   PHE  97          2HB       PHE  97   0.714   6.189   3.981
  715   2HB   PHE  97          1HB       PHE  97   2.280   5.656   3.421
  716    HD1  PHE  97           1HD      PHE  97   3.367   3.913   4.569
  717    HD2  PHE  97           2HD      PHE  97   0.160   5.937   6.473
  718    HE1  PHE  97           1HE      PHE  97   3.350   2.224   6.360
  719    HE2  PHE  97           2HE      PHE  97   0.160   4.258   8.266
  720    HZ   PHE  97           HZ       PHE  97   1.756   2.401   8.202
  721    H    GLU  98           H        GLU  98   3.199   7.149   6.840
  722    HA   GLU  98           HA       GLU  98   1.086   7.678   8.504
  723   1HB   GLU  98          2HB       GLU  98   3.953   7.408   8.654
  724   2HB   GLU  98          1HB       GLU  98   3.359   8.148  10.079
  725   1HG   GLU  98          2HG       GLU  98   2.595   5.457   8.914
  726   2HG   GLU  98          1HG       GLU  98   3.575   5.761  10.341
  727    H    ALA  99           H        ALA  99   3.026   9.995   6.848
  728    HA   ALA  99           HA       ALA  99   1.934  12.068   8.615
  729   1HB   ALA  99          1HB       ALA  99   3.847  13.451   8.061
  730   2HB   ALA  99          2HB       ALA  99   4.455  12.197   6.982
  731   3HB   ALA  99          3HB       ALA  99   4.374  11.898   8.717
  732    H    LYS 100           H        LYS 100   1.404  10.730   5.617
  733    HA   LYS 100           HA       LYS 100   0.534  13.319   4.590
  734   1HB   LYS 100          2HB       LYS 100   2.160  11.330   3.012
  735   2HB   LYS 100          1HB       LYS 100   1.117  12.504   2.256
  736   1HG   LYS 100          2HG       LYS 100   3.277  13.375   2.149
  737   2HG   LYS 100          1HG       LYS 100   2.443  14.280   3.400
  738   1HD   LYS 100          2HD       LYS 100   3.551  12.875   5.090
  739   2HD   LYS 100          1HD       LYS 100   4.429  12.052   3.794
  740   1HE   LYS 100          2HE       LYS 100   4.464  14.967   4.395
  741   2HE   LYS 100          1HE       LYS 100   5.787  13.844   4.790
  742   1HZ   LYS 100          1HZ       LYS 100   4.800  14.662   2.108
  743   2HZ   LYS 100          2HZ       LYS 100   5.973  13.463   2.328
  744   3HZ   LYS 100          3HZ       LYS 100   6.289  15.050   2.782
  745    H    TYR 101           H        TYR 101   0.198   9.810   4.374
  746    HA   TYR 101           HA       TYR 101  -2.225  10.261   2.821
  747   1HB   TYR 101          2HB       TYR 101  -0.693   7.694   3.223
  748   2HB   TYR 101          1HB       TYR 101  -1.997   8.005   2.088
  749    HD1  TYR 101           1HD      TYR 101   1.259   7.307   2.053
  750    HD2  TYR 101           2HD      TYR 101  -1.282  10.471   0.759
  751    HE1  TYR 101           1HE      TYR 101   2.937   7.972   0.417
  752    HE2  TYR 101           2HE      TYR 101   0.409  11.136  -0.910
  753    HH   TYR 101           HH       TYR 101   2.986   9.122  -1.689
  754    HA   PRO 102           HA       PRO 102  -4.377   9.136   6.515
  755   1HB   PRO 102          2HB       PRO 102  -6.857   9.019   5.537
  756   2HB   PRO 102          1HB       PRO 102  -6.008  10.565   5.696
  757   1HG   PRO 102          2HG       PRO 102  -6.328   8.820   3.295
  758   2HG   PRO 102          1HG       PRO 102  -6.581  10.570   3.442
  759   1HD   PRO 102          2HD       PRO 102  -4.291   9.517   2.442
  760   2HD   PRO 102          1HD       PRO 102  -4.300  11.024   3.382
  761    H    VAL 103           H        VAL 103  -4.324   7.223   7.307
  762    HA   VAL 103           HA       VAL 103  -4.678   4.783   5.817
  763    HB   VAL 103           HB       VAL 103  -4.771   5.145   8.836
  764   1HG1  VAL 103          1HG1      VAL 103  -4.274   2.734   8.917
  765   2HG1  VAL 103          2HG1      VAL 103  -4.376   2.667   7.156
  766   3HG1  VAL 103          3HG1      VAL 103  -5.804   3.065   8.104
  767   1HG2  VAL 103          1HG2      VAL 103  -2.461   4.439   8.887
  768   2HG2  VAL 103          2HG2      VAL 103  -2.568   5.840   7.797
  769   3HG2  VAL 103          3HG2      VAL 103  -2.470   4.192   7.162
  770    H    VAL 104           H        VAL 104  -6.516   4.340   4.980
  771    HA   VAL 104           HA       VAL 104  -8.855   5.143   6.447
  772    HB   VAL 104           HB       VAL 104 -10.165   4.644   4.348
  773   1HG1  VAL 104          1HG1      VAL 104  -7.944   6.679   4.136
  774   2HG1  VAL 104          2HG1      VAL 104  -9.507   6.918   4.920
  775   3HG1  VAL 104          3HG1      VAL 104  -9.422   6.681   3.176
  776   1HG2  VAL 104          1HG2      VAL 104  -8.951   4.493   2.231
  777   2HG2  VAL 104          2HG2      VAL 104  -8.561   3.115   3.261
  778   3HG2  VAL 104          3HG2      VAL 104  -7.421   4.462   3.100
  779    H    GLY 105           H        GLY 105  -7.747   2.197   4.763
  780   1HA   GLY 105          2HA       GLY 105  -9.197   0.777   6.842
  781   2HA   GLY 105          1HA       GLY 105  -9.665   0.408   5.198
  782    H    ARG 106           H        ARG 106  -8.951  -1.693   5.116
  783    HA   ARG 106           HA       ARG 106  -6.065  -2.146   5.604
  784   1HB   ARG 106          2HB       ARG 106  -6.620  -4.423   6.282
  785   2HB   ARG 106          1HB       ARG 106  -7.172  -3.288   7.454
  786   1HG   ARG 106          2HG       ARG 106  -9.428  -3.524   6.714
  787   2HG   ARG 106          1HG       ARG 106  -8.887  -4.517   5.351
  788   1HD   ARG 106          2HD       ARG 106  -9.725  -5.887   7.192
  789   2HD   ARG 106          1HD       ARG 106  -8.007  -6.105   6.751
  790    HE   ARG 106           HE       ARG 106  -8.362  -4.240   8.888
  791   1HH1  ARG 106          1HH1      ARG 106  -8.202  -7.748   8.283
  792   2HH1  ARG 106          2HH1      ARG 106  -7.634  -8.109   9.834
  793   1HH2  ARG 106          1HH2      ARG 106  -7.584  -4.776  10.990
  794   2HH2  ARG 106          2HH2      ARG 106  -7.297  -6.398  11.423
  795    H    VAL 107           H        VAL 107  -5.164  -3.845   4.463
  796    HA   VAL 107           HA       VAL 107  -6.868  -4.882   2.369
  797    HB   VAL 107           HB       VAL 107  -4.864  -3.591   1.469
  798   1HG1  VAL 107          1HG1      VAL 107  -2.701  -4.638   1.556
  799   2HG1  VAL 107          2HG1      VAL 107  -3.360  -5.849   2.671
  800   3HG1  VAL 107          3HG1      VAL 107  -3.264  -4.146   3.168
  801   1HG2  VAL 107          1HG2      VAL 107  -4.285  -5.374  -0.154
  802   2HG2  VAL 107          2HG2      VAL 107  -6.035  -5.262   0.238
  803   3HG2  VAL 107          3HG2      VAL 107  -5.056  -6.500   0.994
  804    H    VAL 108           H        VAL 108  -6.930  -7.022   2.157
  805    HA   VAL 108           HA       VAL 108  -5.638  -8.576   4.277
  806    HB   VAL 108           HB       VAL 108  -7.802  -9.817   4.522
  807   1HG1  VAL 108          1HG1      VAL 108  -7.965  -6.899   4.640
  808   2HG1  VAL 108          2HG1      VAL 108  -7.188  -7.868   5.922
  809   3HG1  VAL 108          3HG1      VAL 108  -8.973  -7.948   5.618
  810   1HG2  VAL 108          1HG2      VAL 108  -8.736  -9.227   2.297
  811   2HG2  VAL 108          2HG2      VAL 108  -8.804  -7.550   2.953
  812   3HG2  VAL 108          3HG2      VAL 108  -9.785  -8.793   3.681
  813    H    SER 109           H        SER 109  -5.009 -10.622   3.681
  814    HA   SER 109           HA       SER 109  -6.101 -11.632   1.267
  815   1HB   SER 109          2HB       SER 109  -3.838 -12.062   0.239
  816   2HB   SER 109          1HB       SER 109  -4.321 -10.363   0.481
  817    HG   SER 109           HG       SER 109  -3.046 -10.214   2.224
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1 -16.690  -4.886  -5.600
    2   2H    MET   1          2HT       MET   1 -17.835  -4.835  -6.824
    3   3H    MET   1          3HT       MET   1 -18.294  -4.628  -5.195
    4    HA   MET   1           HA       MET   1 -16.530  -2.814  -6.712
    5   1HB   MET   1          2HB       MET   1 -19.361  -2.436  -5.697
    6   2HB   MET   1          1HB       MET   1 -18.372  -1.167  -6.402
    7   1HG   MET   1          2HG       MET   1 -18.342  -2.377  -8.519
    8   2HG   MET   1          1HG       MET   1 -19.325  -3.652  -7.808
    9   1HE   MET   1          1HE       MET   1 -19.199   0.106  -8.946
   10   2HE   MET   1          2HE       MET   1 -19.648   0.265  -7.247
   11   3HE   MET   1          3HE       MET   1 -20.807   0.675  -8.507
   12    H    GLY   2           H        GLY   2 -17.000  -0.573  -5.198
   13   1HA   GLY   2          2HA       GLY   2 -15.671  -1.399  -2.740
   14   2HA   GLY   2          1HA       GLY   2 -15.587   0.188  -3.481
   15    H    HIS   3           H        HIS   3 -18.530  -1.684  -2.744
   16    HA   HIS   3           HA       HIS   3 -19.441   0.592  -1.194
   17   1HB   HIS   3          2HB       HIS   3 -20.892  -2.012  -1.778
   18   2HB   HIS   3          1HB       HIS   3 -21.564  -0.686  -0.860
   19    HD1  HIS   3           1HD      HIS   3 -22.406   1.381  -2.209
   20    HD2  HIS   3           2HD      HIS   3 -20.897  -1.693  -4.553
   21    HE1  HIS   3           1HE      HIS   3 -23.147   1.885  -4.538
   22    HE2  HIS   3           2HE      HIS   3 -22.605  -0.221  -5.764
   23    H    HIS   4           H        HIS   4 -18.105   0.592   0.508
   24    HA   HIS   4           HA       HIS   4 -18.901  -1.155   2.573
   25   1HB   HIS   4          2HB       HIS   4 -16.619  -2.003   3.239
   26   2HB   HIS   4          1HB       HIS   4 -17.267  -2.692   1.767
   27    HD1  HIS   4           1HD      HIS   4 -14.489  -3.240   1.796
   28    HD2  HIS   4           2HD      HIS   4 -15.751   0.568   0.704
   29    HE1  HIS   4           1HE      HIS   4 -12.567  -2.220   0.558
   30    HE2  HIS   4           2HE      HIS   4 -13.251   0.209   0.445
   31    H    HIS   5           H        HIS   5 -19.630   1.011   2.898
   32    HA   HIS   5           HA       HIS   5 -18.179   2.062   5.125
   33   1HB   HIS   5          2HB       HIS   5 -18.664   3.804   2.726
   34   2HB   HIS   5          1HB       HIS   5 -18.726   4.495   4.335
   35    HD1  HIS   5           1HD      HIS   5 -16.503   4.851   5.560
   36    HD2  HIS   5           2HD      HIS   5 -16.100   3.038   1.847
   37    HE1  HIS   5           1HE      HIS   5 -14.056   4.893   5.050
   38    HE2  HIS   5           2HE      HIS   5 -13.819   3.773   2.832
   39    H    HIS   6           H        HIS   6 -19.856   1.065   6.079
   40    HA   HIS   6           HA       HIS   6 -22.200   2.840   6.246
   41   1HB   HIS   6          2HB       HIS   6 -22.657   0.539   5.207
   42   2HB   HIS   6          1HB       HIS   6 -22.237  -0.146   6.767
   43    HD1  HIS   6           1HD      HIS   6 -25.011   1.225   4.872
   44    HD2  HIS   6           2HD      HIS   6 -24.112   0.703   8.892
   45    HE1  HIS   6           1HE      HIS   6 -27.200   1.392   6.079
   46    HE2  HIS   6           2HE      HIS   6 -26.543   1.454   8.492
   47    H    HIS   7           H        HIS   7 -19.815   0.787   7.727
   48    HA   HIS   7           HA       HIS   7 -19.602   2.227  10.123
   49   1HB   HIS   7          2HB       HIS   7 -21.731   0.997  10.626
   50   2HB   HIS   7          1HB       HIS   7 -20.922  -0.513  10.249
   51    HD1  HIS   7           1HD      HIS   7 -19.776  -1.658  12.153
   52    HD2  HIS   7           2HD      HIS   7 -20.722   2.277  13.026
   53    HE1  HIS   7           1HE      HIS   7 -19.283  -1.377  14.591
   54    HE2  HIS   7           2HE      HIS   7 -19.953   0.991  15.119
   55    H    HIS   8           H        HIS   8 -17.622   1.515  11.150
   56    HA   HIS   8           HA       HIS   8 -15.711   0.364  11.475
   57   1HB   HIS   8          2HB       HIS   8 -17.070  -1.707  11.431
   58   2HB   HIS   8          1HB       HIS   8 -16.966  -1.748   9.686
   59    HD1  HIS   8           1HD      HIS   8 -14.660  -2.552   8.681
   60    HD2  HIS   8           2HD      HIS   8 -14.929  -2.774  12.821
   61    HE1  HIS   8           1HE      HIS   8 -12.873  -4.129   9.396
   62    HE2  HIS   8           2HE      HIS   8 -13.360  -4.507  11.835
   63    H    LEU   9           H        LEU   9 -13.642   0.122  10.455
   64    HA   LEU   9           HA       LEU   9 -13.170   1.747   8.213
   65   1HB   LEU   9          2HB       LEU   9 -11.435  -0.422   9.394
   66   2HB   LEU   9          1HB       LEU   9 -10.899   0.744   8.208
   67    HG   LEU   9           HG       LEU   9 -11.794   1.402  11.021
   68   1HD1  LEU   9          1HD1      LEU   9  -9.433   1.902  11.401
   69   2HD1  LEU   9          2HD1      LEU   9  -9.050   1.339   9.775
   70   3HD1  LEU   9          3HD1      LEU   9  -9.674   0.207  10.975
   71   1HD2  LEU   9          1HD2      LEU   9 -10.930   3.641  10.527
   72   2HD2  LEU   9          2HD2      LEU   9 -12.249   3.225   9.436
   73   3HD2  LEU   9          3HD2      LEU   9 -10.581   3.146   8.872
   74    H    GLU  10           H        GLU  10 -12.367   1.153   6.084
   75    HA   GLU  10           HA       GLU  10 -13.931  -1.042   5.137
   76   1HB   GLU  10          2HB       GLU  10 -13.398  -0.236   2.877
   77   2HB   GLU  10          1HB       GLU  10 -14.055   1.031   3.883
   78   1HG   GLU  10          2HG       GLU  10 -11.801   1.957   4.171
   79   2HG   GLU  10          1HG       GLU  10 -11.156   0.669   3.151
   80    H    GLU  11           H        GLU  11 -13.205  -3.052   4.969
   81    HA   GLU  11           HA       GLU  11 -10.396  -3.444   5.034
   82   1HB   GLU  11          2HB       GLU  11 -11.564  -4.717   6.653
   83   2HB   GLU  11          1HB       GLU  11 -12.787  -5.231   5.462
   84   1HG   GLU  11          2HG       GLU  11 -11.093  -6.535   4.458
   85   2HG   GLU  11          1HG       GLU  11  -9.881  -5.962   5.491
   86    H    PHE  12           H        PHE  12  -9.343  -4.442   3.514
   87    HA   PHE  12           HA       PHE  12 -10.665  -4.927   0.931
   88   1HB   PHE  12          2HB       PHE  12  -7.955  -3.940   1.652
   89   2HB   PHE  12          1HB       PHE  12  -8.463  -4.512   0.081
   90    HD1  PHE  12           1HD      PHE  12  -8.606  -1.820   2.533
   91    HD2  PHE  12           2HD      PHE  12  -9.987  -3.117  -1.269
   92    HE1  PHE  12           1HE      PHE  12  -9.338   0.462   2.027
   93    HE2  PHE  12           2HE      PHE  12 -10.724  -0.832  -1.780
   94    HZ   PHE  12           HZ       PHE  12 -10.399   0.958  -0.134
   95    H    THR  13           H        THR  13  -9.743  -6.577  -0.303
   96    HA   THR  13           HA       THR  13  -7.851  -8.248   1.147
   97    HB   THR  13           HB       THR  13  -9.845  -9.160  -0.963
   98    HG1  THR  13           1HG      THR  13 -10.000  -8.918   1.790
   99   1HG2  THR  13          1HG2      THR  13  -9.194 -11.402  -0.261
  100   2HG2  THR  13          2HG2      THR  13  -8.025 -10.679   0.873
  101   3HG2  THR  13          3HG2      THR  13  -7.821 -10.464  -0.873
  102    H    ALA  14           H        ALA  14  -6.142  -9.083  -0.297
  103    HA   ALA  14           HA       ALA  14  -5.052  -6.974  -1.718
  104   1HB   ALA  14          1HB       ALA  14  -3.283  -8.421  -2.404
  105   2HB   ALA  14          2HB       ALA  14  -4.260  -9.854  -2.040
  106   3HB   ALA  14          3HB       ALA  14  -3.744  -8.767  -0.738
  107    H    GLU  15           H        GLU  15  -6.601  -9.836  -3.169
  108    HA   GLU  15           HA       GLU  15  -6.204  -9.121  -5.837
  109   1HB   GLU  15          2HB       GLU  15  -8.652 -10.527  -4.749
  110   2HB   GLU  15          1HB       GLU  15  -8.091 -10.557  -6.408
  111   1HG   GLU  15          2HG       GLU  15  -7.479 -12.611  -5.560
  112   2HG   GLU  15          1HG       GLU  15  -5.987 -11.683  -5.458
  113    H    GLN  16           H        GLN  16  -8.696  -8.241  -3.603
  114    HA   GLN  16           HA       GLN  16 -10.335  -6.829  -5.443
  115   1HB   GLN  16          2HB       GLN  16 -10.295  -6.999  -2.445
  116   2HB   GLN  16          1HB       GLN  16 -11.368  -5.882  -3.255
  117   1HG   GLN  16          2HG       GLN  16 -12.563  -7.900  -2.698
  118   2HG   GLN  16          1HG       GLN  16 -12.401  -7.762  -4.434
  119   1HE2  GLN  16          1HE2      GLN  16 -11.495  -9.550  -1.609
  120   2HE2  GLN  16          2HE2      GLN  16 -10.844 -10.902  -2.471
  121    H    LEU  17           H        LEU  17  -7.694  -5.950  -3.397
  122    HA   LEU  17           HA       LEU  17  -8.081  -3.157  -3.376
  123   1HB   LEU  17          2HB       LEU  17  -6.548  -4.342  -1.873
  124   2HB   LEU  17          1HB       LEU  17  -5.481  -4.669  -3.222
  125    HG   LEU  17           HG       LEU  17  -5.461  -2.129  -3.539
  126   1HD1  LEU  17          1HD1      LEU  17  -7.228  -1.537  -2.085
  127   2HD1  LEU  17          2HD1      LEU  17  -5.688  -0.859  -1.498
  128   3HD1  LEU  17          3HD1      LEU  17  -6.377  -2.301  -0.734
  129   1HD2  LEU  17          1HD2      LEU  17  -3.580  -3.370  -2.912
  130   2HD2  LEU  17          2HD2      LEU  17  -4.077  -3.369  -1.193
  131   3HD2  LEU  17          3HD2      LEU  17  -3.659  -1.844  -2.033
  132    H    SER  18           H        SER  18  -6.681  -5.349  -5.700
  133    HA   SER  18           HA       SER  18  -5.086  -3.518  -7.076
  134   1HB   SER  18          2HB       SER  18  -6.212  -6.162  -7.962
  135   2HB   SER  18          1HB       SER  18  -4.899  -5.282  -8.758
  136    HG   SER  18           HG       SER  18  -4.078  -5.274  -6.435
  137    H    GLN  19           H        GLN  19  -8.370  -3.609  -6.986
  138    HA   GLN  19           HA       GLN  19  -8.872  -2.780  -9.744
  139   1HB   GLN  19          2HB       GLN  19 -10.660  -2.554  -7.313
  140   2HB   GLN  19          1HB       GLN  19 -11.140  -2.163  -8.950
  141   1HG   GLN  19          2HG       GLN  19 -10.804  -4.512  -9.581
  142   2HG   GLN  19          1HG       GLN  19 -10.380  -4.878  -7.907
  143   1HE2  GLN  19          1HE2      GLN  19 -12.126  -6.266  -7.651
  144   2HE2  GLN  19          2HE2      GLN  19 -13.745  -5.667  -7.523
  145    H    TYR  20           H        TYR  20  -7.799  -1.414  -6.888
  146    HA   TYR  20           HA       TYR  20  -8.698   1.302  -7.431
  147   1HB   TYR  20          2HB       TYR  20  -7.342  -0.034  -5.119
  148   2HB   TYR  20          1HB       TYR  20  -7.820   1.647  -5.081
  149    HD1  TYR  20           1HD      TYR  20  -8.814  -1.720  -4.543
  150    HD2  TYR  20           2HD      TYR  20 -10.352   2.128  -5.417
  151    HE1  TYR  20           1HE      TYR  20 -11.030  -2.455  -3.804
  152    HE2  TYR  20           2HE      TYR  20 -12.577   1.419  -4.684
  153    HH   TYR  20           HH       TYR  20 -13.101  -1.560  -3.027
  154    H    ASN  21           H        ASN  21  -6.780   0.137  -9.158
  155    HA   ASN  21           HA       ASN  21  -4.209   1.190  -8.368
  156   1HB   ASN  21          2HB       ASN  21  -3.359   0.323 -10.505
  157   2HB   ASN  21          1HB       ASN  21  -4.235  -0.914  -9.626
  158   1HD2  ASN  21          1HD2      ASN  21  -6.168  -1.730 -10.499
  159   2HD2  ASN  21          2HD2      ASN  21  -6.651  -1.340 -12.102
  160    H    GLY  22           H        GLY  22  -6.957   2.333  -9.834
  161   1HA   GLY  22          2HA       GLY  22  -7.543   4.356 -10.618
  162   2HA   GLY  22          1HA       GLY  22  -6.010   5.024  -9.967
  163    H    THR  23           H        THR  23  -7.242   2.941 -12.465
  164    HA   THR  23           HA       THR  23  -6.059   4.784 -14.391
  165    HB   THR  23           HB       THR  23  -6.195   2.924 -15.949
  166    HG1  THR  23           1HG      THR  23  -7.028   1.108 -15.354
  167   1HG2  THR  23          1HG2      THR  23  -4.140   1.780 -15.155
  168   2HG2  THR  23          2HG2      THR  23  -4.381   2.535 -13.577
  169   3HG2  THR  23          3HG2      THR  23  -4.057   3.535 -14.994
  170    H    ASP  24           H        ASP  24  -8.842   3.326 -13.144
  171    HA   ASP  24           HA       ASP  24 -10.487   3.967 -15.465
  172   1HB   ASP  24          2HB       ASP  24 -11.121   2.532 -12.897
  173   2HB   ASP  24          1HB       ASP  24 -12.314   2.857 -14.149
  174    H    GLU  25           H        GLU  25 -10.723   6.176 -15.423
  175    HA   GLU  25           HA       GLU  25 -11.665   8.148 -14.941
  176   1HB   GLU  25          2HB       GLU  25 -13.466   6.402 -13.312
  177   2HB   GLU  25          1HB       GLU  25 -13.752   8.118 -13.586
  178   1HG   GLU  25          2HG       GLU  25 -13.459   6.068 -15.749
  179   2HG   GLU  25          1HG       GLU  25 -14.981   6.653 -15.070
  180    H    SER  26           H        SER  26  -9.726   6.940 -13.081
  181    HA   SER  26           HA       SER  26  -8.441   7.591 -11.281
  182   1HB   SER  26          2HB       SER  26  -8.460   9.781 -12.361
  183   2HB   SER  26          1HB       SER  26 -10.018  10.162 -11.636
  184    HG   SER  26           HG       SER  26  -8.775   9.715  -9.605
  185    H    LYS  27           H        LYS  27 -10.937   6.152 -10.881
  186    HA   LYS  27           HA       LYS  27 -12.314   6.955  -8.562
  187   1HB   LYS  27          2HB       LYS  27 -11.625   4.141  -9.456
  188   2HB   LYS  27          1HB       LYS  27 -12.820   4.537  -8.243
  189   1HG   LYS  27          2HG       LYS  27 -14.139   5.732  -9.979
  190   2HG   LYS  27          1HG       LYS  27 -12.944   5.238 -11.167
  191   1HD   LYS  27          2HD       LYS  27 -14.599   3.334  -9.494
  192   2HD   LYS  27          1HD       LYS  27 -14.915   3.743 -11.181
  193   1HE   LYS  27          2HE       LYS  27 -12.753   2.815 -11.815
  194   2HE   LYS  27          1HE       LYS  27 -12.404   2.420 -10.133
  195   1HZ   LYS  27          1HZ       LYS  27 -13.159   0.496 -11.345
  196   2HZ   LYS  27          2HZ       LYS  27 -14.605   1.239 -11.772
  197   3HZ   LYS  27          3HZ       LYS  27 -14.269   0.890 -10.153
  198    HA   PRO  28           HA       PRO  28  -9.889   6.887  -4.863
  199   1HB   PRO  28          2HB       PRO  28 -11.285   4.292  -4.394
  200   2HB   PRO  28          1HB       PRO  28 -10.916   5.585  -3.249
  201   1HG   PRO  28          2HG       PRO  28 -13.309   5.344  -4.446
  202   2HG   PRO  28          1HG       PRO  28 -12.632   6.911  -3.976
  203   1HD   PRO  28          2HD       PRO  28 -13.139   5.879  -6.649
  204   2HD   PRO  28          1HD       PRO  28 -12.602   7.500  -6.173
  205    H    ILE  29           H        ILE  29  -7.895   6.505  -4.889
  206    HA   ILE  29           HA       ILE  29  -6.804   3.953  -5.881
  207    HB   ILE  29           HB       ILE  29  -5.368   6.607  -5.576
  208   1HG1  ILE  29          2HG1      ILE  29  -6.631   5.408  -8.045
  209   2HG1  ILE  29          1HG1      ILE  29  -7.257   6.783  -7.155
  210   1HG2  ILE  29          1HG2      ILE  29  -3.921   4.605  -5.651
  211   2HG2  ILE  29          2HG2      ILE  29  -3.738   5.573  -7.114
  212   3HG2  ILE  29          3HG2      ILE  29  -4.705   4.099  -7.151
  213   1HD1  ILE  29          1HD1      ILE  29  -6.057   7.464  -9.166
  214   2HD1  ILE  29          2HD1      ILE  29  -4.621   6.642  -8.536
  215   3HD1  ILE  29          3HD1      ILE  29  -5.257   8.056  -7.703
  216    H    TYR  30           H        TYR  30  -5.600   2.753  -4.465
  217    HA   TYR  30           HA       TYR  30  -4.892   3.935  -1.859
  218   1HB   TYR  30          2HB       TYR  30  -6.197   1.239  -2.209
  219   2HB   TYR  30          1HB       TYR  30  -5.711   2.023  -0.714
  220    HD1  TYR  30           1HD      TYR  30  -7.000   4.159  -0.036
  221    HD2  TYR  30           2HD      TYR  30  -8.333   1.473  -3.030
  222    HE1  TYR  30           1HE      TYR  30  -9.296   5.035   0.195
  223    HE2  TYR  30           2HE      TYR  30 -10.606   2.332  -2.809
  224    HH   TYR  30           HH       TYR  30 -11.324   5.165  -1.100
  225    H    VAL  31           H        VAL  31  -3.287   2.991  -0.828
  226    HA   VAL  31           HA       VAL  31  -1.717   0.963  -2.274
  227    HB   VAL  31           HB       VAL  31   0.321   1.989  -1.460
  228   1HG1  VAL  31          1HG1      VAL  31  -0.349   2.733  -3.631
  229   2HG1  VAL  31          2HG1      VAL  31   0.402   4.065  -2.737
  230   3HG1  VAL  31          3HG1      VAL  31  -1.354   4.003  -2.915
  231   1HG2  VAL  31          1HG2      VAL  31  -0.463   2.954   0.569
  232   2HG2  VAL  31          2HG2      VAL  31  -1.421   4.144  -0.334
  233   3HG2  VAL  31          3HG2      VAL  31   0.358   4.193  -0.395
  234    H    ALA  32           H        ALA  32  -0.424  -0.333  -0.739
  235    HA   ALA  32           HA       ALA  32  -1.456  -0.095   1.960
  236   1HB   ALA  32          1HB       ALA  32  -1.735  -2.505   2.136
  237   2HB   ALA  32          2HB       ALA  32  -1.221  -2.692   0.458
  238   3HB   ALA  32          3HB       ALA  32  -2.724  -1.855   0.828
  239    H    ILE  33           H        ILE  33  -0.051  -0.200   3.453
  240    HA   ILE  33           HA       ILE  33   2.636  -1.313   2.992
  241    HB   ILE  33           HB       ILE  33   1.943   1.296   4.368
  242   1HG1  ILE  33          2HG1      ILE  33   3.523   0.823   1.844
  243   2HG1  ILE  33          1HG1      ILE  33   1.934   1.565   1.938
  244   1HG2  ILE  33          1HG2      ILE  33   3.670   0.222   5.561
  245   2HG2  ILE  33          2HG2      ILE  33   4.332   1.604   4.681
  246   3HG2  ILE  33          3HG2      ILE  33   4.614  -0.032   4.085
  247   1HD1  ILE  33          1HD1      ILE  33   4.482   2.652   3.100
  248   2HD1  ILE  33          2HD1      ILE  33   2.900   3.411   3.248
  249   3HD1  ILE  33          3HD1      ILE  33   3.662   3.249   1.659
  250    H    LYS  34           H        LYS  34   2.982  -2.838   4.619
  251    HA   LYS  34           HA       LYS  34   2.687  -4.019   6.521
  252   1HB   LYS  34          2HB       LYS  34   2.096  -1.243   7.501
  253   2HB   LYS  34          1HB       LYS  34   1.959  -2.611   8.590
  254   1HG   LYS  34          2HG       LYS  34   4.452  -1.925   7.058
  255   2HG   LYS  34          1HG       LYS  34   4.133  -1.338   8.687
  256   1HD   LYS  34          2HD       LYS  34   3.881  -3.717   9.409
  257   2HD   LYS  34          1HD       LYS  34   4.395  -4.205   7.795
  258   1HE   LYS  34          2HE       LYS  34   6.530  -3.162   8.105
  259   2HE   LYS  34          1HE       LYS  34   6.006  -2.461   9.637
  260   1HZ   LYS  34          1HZ       LYS  34   7.361  -4.433  10.010
  261   2HZ   LYS  34          2HZ       LYS  34   6.309  -5.368   9.086
  262   3HZ   LYS  34          3HZ       LYS  34   5.777  -4.693  10.523
  263    H    GLY  35           H        GLY  35   0.451  -3.408   4.619
  264   1HA   GLY  35          2HA       GLY  35  -1.608  -4.348   4.398
  265   2HA   GLY  35          1HA       GLY  35  -1.644  -4.714   6.111
  266    H    ARG  36           H        ARG  36  -0.759  -1.598   6.069
  267    HA   ARG  36           HA       ARG  36  -3.402  -0.718   6.755
  268   1HB   ARG  36          2HB       ARG  36  -0.847   0.893   6.537
  269   2HB   ARG  36          1HB       ARG  36  -2.297   1.323   7.434
  270   1HG   ARG  36          2HG       ARG  36  -1.903  -0.537   8.967
  271   2HG   ARG  36          1HG       ARG  36  -0.452  -0.971   8.064
  272   1HD   ARG  36          2HD       ARG  36   0.221   0.273  10.001
  273   2HD   ARG  36          1HD       ARG  36   0.464   1.294   8.586
  274    HE   ARG  36           HE       ARG  36  -2.054   1.859   9.532
  275   1HH1  ARG  36          1HH1      ARG  36   1.290   2.191  10.696
  276   2HH1  ARG  36          2HH1      ARG  36   0.931   3.419  11.811
  277   1HH2  ARG  36          1HH2      ARG  36  -2.538   3.554  11.095
  278   2HH2  ARG  36          2HH2      ARG  36  -1.300   4.219  12.041
  279    H    VAL  37           H        VAL  37  -4.735   0.074   5.261
  280    HA   VAL  37           HA       VAL  37  -3.616   0.752   2.678
  281    HB   VAL  37           HB       VAL  37  -6.494   0.239   3.504
  282   1HG1  VAL  37          1HG1      VAL  37  -7.025   0.422   1.123
  283   2HG1  VAL  37          2HG1      VAL  37  -5.343   0.835   0.791
  284   3HG1  VAL  37          3HG1      VAL  37  -6.354   1.945   1.722
  285   1HG2  VAL  37          1HG2      VAL  37  -4.588  -1.279   1.735
  286   2HG2  VAL  37          2HG2      VAL  37  -6.268  -1.707   2.051
  287   3HG2  VAL  37          3HG2      VAL  37  -5.086  -1.745   3.360
  288    H    PHE  38           H        PHE  38  -3.312   2.688   2.102
  289    HA   PHE  38           HA       PHE  38  -4.641   4.878   3.563
  290   1HB   PHE  38          2HB       PHE  38  -2.092   4.904   2.013
  291   2HB   PHE  38          1HB       PHE  38  -2.732   6.245   2.955
  292    HD1  PHE  38           1HD      PHE  38  -0.773   3.222   2.956
  293    HD2  PHE  38           2HD      PHE  38  -2.702   6.056   5.475
  294    HE1  PHE  38           1HE      PHE  38   0.560   2.448   4.855
  295    HE2  PHE  38           2HE      PHE  38  -1.362   5.278   7.363
  296    HZ   PHE  38           HZ       PHE  38   0.277   3.466   7.054
  297    H    ASP  39           H        ASP  39  -5.492   6.507   2.316
  298    HA   ASP  39           HA       ASP  39  -6.029   5.873  -0.474
  299   1HB   ASP  39          2HB       ASP  39  -7.887   6.767   0.833
  300   2HB   ASP  39          1HB       ASP  39  -6.945   8.196   1.242
  301    H    VAL  40           H        VAL  40  -4.897   6.581  -2.091
  302    HA   VAL  40           HA       VAL  40  -3.181   8.929  -1.663
  303    HB   VAL  40           HB       VAL  40  -1.713   8.066  -3.493
  304   1HG1  VAL  40          1HG1      VAL  40  -0.566   6.399  -2.161
  305   2HG1  VAL  40          2HG1      VAL  40  -1.963   6.278  -1.076
  306   3HG1  VAL  40          3HG1      VAL  40  -1.046   7.790  -1.197
  307   1HG2  VAL  40          1HG2      VAL  40  -3.293   5.524  -3.137
  308   2HG2  VAL  40          2HG2      VAL  40  -1.824   5.703  -4.106
  309   3HG2  VAL  40          3HG2      VAL  40  -3.292   6.562  -4.561
  310    H    THR  41           H        THR  41  -6.002   8.560  -2.697
  311    HA   THR  41           HA       THR  41  -6.026   9.178  -5.436
  312    HB   THR  41           HB       THR  41  -8.063   9.974  -3.328
  313    HG1  THR  41           1HG      THR  41  -8.205   7.870  -3.095
  314   1HG2  THR  41          1HG2      THR  41  -8.364   9.410  -6.290
  315   2HG2  THR  41          2HG2      THR  41  -8.424  11.004  -5.539
  316   3HG2  THR  41          3HG2      THR  41  -9.676   9.814  -5.182
  317    H    THR  42           H        THR  42  -5.444  11.041  -2.568
  318    HA   THR  42           HA       THR  42  -5.817  13.630  -3.690
  319    HB   THR  42           HB       THR  42  -5.873  13.173  -1.207
  320    HG1  THR  42           1HG      THR  42  -3.777  14.980  -1.482
  321   1HG2  THR  42          1HG2      THR  42  -2.873  12.944  -1.508
  322   2HG2  THR  42          2HG2      THR  42  -3.960  11.624  -1.095
  323   3HG2  THR  42          3HG2      THR  42  -3.753  12.975   0.022
  324    H    GLY  43           H        GLY  43  -3.311  11.295  -3.841
  325   1HA   GLY  43          2HA       GLY  43  -1.443  13.274  -4.954
  326   2HA   GLY  43          1HA       GLY  43  -0.962  11.766  -4.189
  327    H    LYS  44           H        LYS  44  -3.627  12.267  -6.513
  328    HA   LYS  44           HA       LYS  44  -2.991   9.955  -7.844
  329   1HB   LYS  44          2HB       LYS  44  -5.263  10.833  -7.601
  330   2HB   LYS  44          1HB       LYS  44  -4.836  12.250  -8.530
  331   1HG   LYS  44          2HG       LYS  44  -4.602   9.537  -9.750
  332   2HG   LYS  44          1HG       LYS  44  -6.176  10.307  -9.621
  333   1HD   LYS  44          2HD       LYS  44  -3.788  11.600 -10.880
  334   2HD   LYS  44          1HD       LYS  44  -4.935  10.607 -11.767
  335   1HE   LYS  44          2HE       LYS  44  -6.759  12.135 -11.094
  336   2HE   LYS  44          1HE       LYS  44  -5.598  13.134 -10.229
  337   1HZ   LYS  44          1HZ       LYS  44  -4.510  13.635 -12.311
  338   2HZ   LYS  44          2HZ       LYS  44  -6.143  14.026 -12.450
  339   3HZ   LYS  44          3HZ       LYS  44  -5.546  12.621 -13.150
  340    H    SER  45           H        SER  45  -1.900  13.217  -8.246
  341    HA   SER  45           HA       SER  45  -1.011  13.108 -10.910
  342   1HB   SER  45          2HB       SER  45   0.247  14.592  -8.585
  343   2HB   SER  45          1HB       SER  45   0.508  14.929 -10.295
  344    HG   SER  45           HG       SER  45  -1.664  15.453  -8.659
  345    H    PHE  46           H        PHE  46   0.257  11.653  -8.017
  346    HA   PHE  46           HA       PHE  46   2.815  11.080  -9.322
  347   1HB   PHE  46          2HB       PHE  46   1.949  10.691  -6.462
  348   2HB   PHE  46          1HB       PHE  46   3.542  10.308  -7.087
  349    HD1  PHE  46           1HD      PHE  46   5.029  12.148  -7.846
  350    HD2  PHE  46           2HD      PHE  46   1.322  12.900  -5.896
  351    HE1  PHE  46           1HE      PHE  46   5.755  14.443  -7.363
  352    HE2  PHE  46           2HE      PHE  46   2.039  15.200  -5.411
  353    HZ   PHE  46           HZ       PHE  46   4.260  15.977  -6.145
  354    H    TYR  47           H        TYR  47   0.181   9.406  -7.601
  355    HA   TYR  47           HA       TYR  47   1.399   6.881  -8.315
  356   1HB   TYR  47          2HB       TYR  47  -1.116   7.375  -6.729
  357   2HB   TYR  47          1HB       TYR  47  -0.166   5.886  -6.778
  358    HD1  TYR  47           1HD      TYR  47   2.236   5.984  -5.853
  359    HD2  TYR  47           2HD      TYR  47  -0.627   9.047  -5.197
  360    HE1  TYR  47           1HE      TYR  47   3.583   6.858  -3.973
  361    HE2  TYR  47           2HE      TYR  47   0.697   9.907  -3.334
  362    HH   TYR  47           HH       TYR  47   3.901   8.929  -2.738
  363    H    GLY  48           H        GLY  48  -1.912   8.198  -8.590
  364   1HA   GLY  48          2HA       GLY  48  -2.810   6.081 -10.279
  365   2HA   GLY  48          1HA       GLY  48  -3.674   7.547  -9.869
  366    H    SER  49           H        SER  49  -1.061   8.834 -11.076
  367    HA   SER  49           HA       SER  49  -2.295   9.101 -13.684
  368   1HB   SER  49          2HB       SER  49  -1.531  11.105 -12.389
  369   2HB   SER  49          1HB       SER  49   0.123  10.528 -12.538
  370    HG   SER  49           HG       SER  49  -0.382  10.530 -14.886
  371    H    GLY  50           H        GLY  50  -0.497   6.760 -12.521
  372   1HA   GLY  50          2HA       GLY  50   0.931   5.224 -13.464
  373   2HA   GLY  50          1HA       GLY  50   0.740   6.081 -14.997
  374    H    GLY  51           H        GLY  51   1.862   7.270 -11.905
  375   1HA   GLY  51          2HA       GLY  51   4.024   8.615 -13.238
  376   2HA   GLY  51          1HA       GLY  51   3.555   8.793 -11.561
  377    H    ASP  52           H        ASP  52   5.737   8.723 -11.042
  378    HA   ASP  52           HA       ASP  52   7.447   6.537 -11.671
  379   1HB   ASP  52          2HB       ASP  52   8.315   8.778 -11.207
  380   2HB   ASP  52          1HB       ASP  52   7.701   8.688  -9.566
  381    H    TYR  53           H        TYR  53   5.201   7.183  -9.144
  382    HA   TYR  53           HA       TYR  53   6.164   4.831  -7.654
  383   1HB   TYR  53          2HB       TYR  53   4.520   7.182  -6.714
  384   2HB   TYR  53          1HB       TYR  53   4.895   5.777  -5.728
  385    HD1  TYR  53           1HD      TYR  53   7.265   5.329  -5.087
  386    HD2  TYR  53           2HD      TYR  53   6.106   8.939  -7.016
  387    HE1  TYR  53           1HE      TYR  53   9.351   6.382  -4.348
  388    HE2  TYR  53           2HE      TYR  53   8.198   9.998  -6.290
  389    HH   TYR  53           HH       TYR  53   9.860   9.724  -4.536
  390    H    SER  54           H        SER  54   4.401   4.863 -10.020
  391    HA   SER  54           HA       SER  54   1.703   4.375  -9.256
  392   1HB   SER  54          2HB       SER  54   2.403   5.090 -11.533
  393   2HB   SER  54          1HB       SER  54   3.175   3.515 -11.740
  394    HG   SER  54           HG       SER  54   0.787   2.874 -11.075
  395    H    MET  55           H        MET  55   4.451   2.505  -8.850
  396    HA   MET  55           HA       MET  55   3.832  -0.116  -9.498
  397   1HB   MET  55          2HB       MET  55   5.397   0.953  -7.168
  398   2HB   MET  55          1HB       MET  55   5.331  -0.737  -7.590
  399   1HG   MET  55          2HG       MET  55   7.374   0.362  -8.251
  400   2HG   MET  55          1HG       MET  55   6.571  -0.321  -9.634
  401   1HE   MET  55          1HE       MET  55   4.698   1.494 -11.022
  402   2HE   MET  55          2HE       MET  55   6.182   0.967 -11.818
  403   3HE   MET  55          3HE       MET  55   5.711   2.666 -11.867
  404    H    PHE  56           H        PHE  56   3.171   1.590  -6.472
  405    HA   PHE  56           HA       PHE  56   1.757  -0.734  -5.562
  406   1HB   PHE  56          2HB       PHE  56   1.691   0.781  -3.355
  407   2HB   PHE  56          1HB       PHE  56   2.986  -0.325  -3.723
  408    HD1  PHE  56           1HD      PHE  56   1.962   3.161  -3.575
  409    HD2  PHE  56           2HD      PHE  56   5.138   0.479  -4.383
  410    HE1  PHE  56           1HE      PHE  56   3.560   5.013  -3.430
  411    HE2  PHE  56           2HE      PHE  56   6.749   2.289  -4.256
  412    HZ   PHE  56           HZ       PHE  56   5.965   4.597  -3.769
  413    H    ALA  57           H        ALA  57   0.722   1.492  -7.392
  414    HA   ALA  57           HA       ALA  57  -1.572   2.425  -5.983
  415   1HB   ALA  57          1HB       ALA  57  -2.404   3.067  -8.223
  416   2HB   ALA  57          2HB       ALA  57  -1.072   2.180  -8.965
  417   3HB   ALA  57          3HB       ALA  57  -0.742   3.606  -7.980
  418    H    GLY  58           H        GLY  58  -2.953   0.985  -5.173
  419   1HA   GLY  58          2HA       GLY  58  -4.596  -0.635  -5.208
  420   2HA   GLY  58          1HA       GLY  58  -4.213  -0.957  -6.890
  421    H    LYS  59           H        LYS  59  -1.631  -0.914  -4.564
  422    HA   LYS  59           HA       LYS  59  -1.586  -3.813  -4.446
  423   1HB   LYS  59          2HB       LYS  59  -0.407  -3.382  -6.535
  424   2HB   LYS  59          1HB       LYS  59   0.503  -2.107  -5.783
  425   1HG   LYS  59          2HG       LYS  59   1.864  -4.020  -6.210
  426   2HG   LYS  59          1HG       LYS  59   1.717  -3.771  -4.477
  427   1HD   LYS  59          2HD       LYS  59   1.637  -6.106  -5.120
  428   2HD   LYS  59          1HD       LYS  59   0.150  -5.660  -4.324
  429   1HE   LYS  59          2HE       LYS  59  -0.306  -7.059  -6.279
  430   2HE   LYS  59          1HE       LYS  59  -0.896  -5.433  -6.609
  431   1HZ   LYS  59          1HZ       LYS  59   1.689  -6.574  -7.566
  432   2HZ   LYS  59          2HZ       LYS  59   1.113  -5.026  -7.926
  433   3HZ   LYS  59          3HZ       LYS  59   0.293  -6.381  -8.480
  434    H    ASP  60           H        ASP  60  -0.720  -4.523  -2.535
  435    HA   ASP  60           HA       ASP  60   0.481  -2.660  -0.674
  436   1HB   ASP  60          2HB       ASP  60  -0.865  -4.645   0.121
  437   2HB   ASP  60          1HB       ASP  60   0.357  -5.692  -0.569
  438    H    ALA  61           H        ALA  61   2.549  -2.222  -0.576
  439    HA   ALA  61           HA       ALA  61   4.425  -3.925  -2.109
  440   1HB   ALA  61          1HB       ALA  61   5.562  -1.857  -2.838
  441   2HB   ALA  61          2HB       ALA  61   4.277  -0.915  -2.063
  442   3HB   ALA  61          3HB       ALA  61   3.905  -1.997  -3.410
  443    H    SER  62           H        SER  62   3.846  -3.944   0.682
  444    HA   SER  62           HA       SER  62   5.498  -2.298   2.208
  445   1HB   SER  62          2HB       SER  62   3.506  -3.794   2.866
  446   2HB   SER  62          1HB       SER  62   4.711  -5.074   3.010
  447    HG   SER  62           HG       SER  62   5.793  -3.178   4.309
  448    H    ARG  63           H        ARG  63   6.353  -5.563   0.879
  449    HA   ARG  63           HA       ARG  63   8.955  -5.285   2.068
  450   1HB   ARG  63          2HB       ARG  63   9.707  -7.282   0.978
  451   2HB   ARG  63          1HB       ARG  63   8.038  -7.545   1.431
  452   1HG   ARG  63          2HG       ARG  63   7.311  -7.361  -0.788
  453   2HG   ARG  63          1HG       ARG  63   8.900  -6.799  -1.327
  454   1HD   ARG  63          2HD       ARG  63   9.904  -8.871  -0.611
  455   2HD   ARG  63          1HD       ARG  63   8.344  -9.478  -0.059
  456    HE   ARG  63           HE       ARG  63   8.079  -8.818  -2.709
  457   1HH1  ARG  63          1HH1      ARG  63  10.192 -10.953  -0.852
  458   2HH1  ARG  63          2HH1      ARG  63  10.203 -12.211  -2.006
  459   1HH2  ARG  63          1HH2      ARG  63   8.115 -10.603  -4.354
  460   2HH2  ARG  63          2HH2      ARG  63   9.011 -12.003  -3.997
  461    H    ALA  64           H        ALA  64   7.626  -4.233  -0.908
  462    HA   ALA  64           HA       ALA  64  10.054  -4.134  -2.408
  463   1HB   ALA  64          1HB       ALA  64   7.457  -2.646  -2.818
  464   2HB   ALA  64          2HB       ALA  64   7.874  -4.207  -3.527
  465   3HB   ALA  64          3HB       ALA  64   8.765  -2.757  -3.993
  466    H    LEU  65           H        LEU  65   8.231  -2.061  -0.396
  467    HA   LEU  65           HA       LEU  65   9.690   0.308  -0.613
  468   1HB   LEU  65          2HB       LEU  65   8.046  -0.943   1.502
  469   2HB   LEU  65          1HB       LEU  65   8.832   0.580   1.788
  470    HG   LEU  65           HG       LEU  65   6.721   0.026  -0.325
  471   1HD1  LEU  65          1HD1      LEU  65   6.639   1.654   2.227
  472   2HD1  LEU  65          2HD1      LEU  65   5.836   0.110   1.969
  473   3HD1  LEU  65          3HD1      LEU  65   5.363   1.522   1.025
  474   1HD2  LEU  65          1HD2      LEU  65   6.802   2.457  -0.644
  475   2HD2  LEU  65          2HD2      LEU  65   8.358   1.676  -1.037
  476   3HD2  LEU  65          3HD2      LEU  65   8.128   2.478   0.527
  477    H    GLY  66           H        GLY  66  10.400  -2.645   1.105
  478   1HA   GLY  66          2HA       GLY  66  12.422  -1.300   2.652
  479   2HA   GLY  66          1HA       GLY  66  12.032  -3.000   2.765
  480    H    LYS  67           H        LYS  67  12.136  -2.944  -0.255
  481    HA   LYS  67           HA       LYS  67  14.965  -3.654  -0.395
  482   1HB   LYS  67          2HB       LYS  67  12.750  -4.092  -2.374
  483   2HB   LYS  67          1HB       LYS  67  14.359  -4.778  -2.453
  484   1HG   LYS  67          2HG       LYS  67  12.299  -5.343  -0.341
  485   2HG   LYS  67          1HG       LYS  67  12.665  -6.398  -1.694
  486   1HD   LYS  67          2HD       LYS  67  14.452  -5.674   0.646
  487   2HD   LYS  67          1HD       LYS  67  13.742  -7.239   0.241
  488   1HE   LYS  67          2HE       LYS  67  15.076  -7.208  -1.868
  489   2HE   LYS  67          1HE       LYS  67  15.802  -5.734  -1.232
  490   1HZ   LYS  67          1HZ       LYS  67  16.656  -6.940   0.698
  491   2HZ   LYS  67          2HZ       LYS  67  17.223  -7.624  -0.718
  492   3HZ   LYS  67          3HZ       LYS  67  15.991  -8.378   0.116
  493    H    MET  68           H        MET  68  12.608  -1.420  -1.692
  494    HA   MET  68           HA       MET  68  12.762   0.529  -2.787
  495   1HB   MET  68          2HB       MET  68  15.736  -0.031  -2.930
  496   2HB   MET  68          1HB       MET  68  15.015   1.371  -3.710
  497   1HG   MET  68          2HG       MET  68  15.040   0.724  -0.780
  498   2HG   MET  68          1HG       MET  68  16.074   1.898  -1.591
  499   1HE   MET  68          1HE       MET  68  13.426   4.568  -2.785
  500   2HE   MET  68          2HE       MET  68  13.935   3.151  -3.692
  501   3HE   MET  68          3HE       MET  68  15.126   4.096  -2.797
  502    H    SER  69           H        SER  69  12.504  -2.197  -3.685
  503    HA   SER  69           HA       SER  69  13.248  -2.176  -6.471
  504   1HB   SER  69          2HB       SER  69  11.572  -4.119  -4.892
  505   2HB   SER  69          1HB       SER  69  12.283  -4.359  -6.479
  506    HG   SER  69           HG       SER  69  13.184  -5.000  -4.252
  507    H    LYS  70           H        LYS  70  11.823  -1.808  -8.076
  508    HA   LYS  70           HA       LYS  70   9.129  -0.992  -7.274
  509   1HB   LYS  70          2HB       LYS  70  10.747  -0.233  -9.690
  510   2HB   LYS  70          1HB       LYS  70   9.145   0.379  -9.294
  511   1HG   LYS  70          2HG       LYS  70   9.996   1.384  -7.258
  512   2HG   LYS  70          1HG       LYS  70  11.596   0.721  -7.589
  513   1HD   LYS  70          2HD       LYS  70  11.571   3.051  -8.262
  514   2HD   LYS  70          1HD       LYS  70  11.608   1.998  -9.687
  515   1HE   LYS  70          2HE       LYS  70   9.243   2.283 -10.018
  516   2HE   LYS  70          1HE       LYS  70   9.129   3.259  -8.556
  517   1HZ   LYS  70          1HZ       LYS  70  10.542   4.911  -9.631
  518   2HZ   LYS  70          2HZ       LYS  70   9.145   4.575 -10.516
  519   3HZ   LYS  70          3HZ       LYS  70  10.609   3.939 -11.025
  520    H    ASN  71           H        ASN  71  10.852  -3.387  -8.787
  521    HA   ASN  71           HA       ASN  71   8.960  -4.072 -10.799
  522   1HB   ASN  71          2HB       ASN  71  10.101  -6.236 -10.868
  523   2HB   ASN  71          1HB       ASN  71  11.137  -4.860 -11.284
  524   1HD2  ASN  71          1HD2      ASN  71  10.623  -7.526  -9.144
  525   2HD2  ASN  71          2HD2      ASN  71  12.015  -7.264  -8.161
  526    H    GLU  72           H        GLU  72   7.501  -5.486 -10.908
  527    HA   GLU  72           HA       GLU  72   5.857  -5.921  -8.738
  528   1HB   GLU  72          2HB       GLU  72   4.636  -7.435 -10.226
  529   2HB   GLU  72          1HB       GLU  72   4.881  -5.829 -10.918
  530   1HG   GLU  72          2HG       GLU  72   6.318  -8.406 -11.624
  531   2HG   GLU  72          1HG       GLU  72   5.083  -7.615 -12.594
  532    H    GLU  73           H        GLU  73   8.270  -7.960 -10.154
  533    HA   GLU  73           HA       GLU  73   7.647 -10.362  -8.859
  534   1HB   GLU  73          2HB       GLU  73  10.335  -9.347  -9.764
  535   2HB   GLU  73          1HB       GLU  73  10.013 -10.994  -9.244
  536   1HG   GLU  73          2HG       GLU  73   8.764  -9.607 -11.602
  537   2HG   GLU  73          1HG       GLU  73  10.038 -10.827 -11.655
  538    H    ASP  74           H        ASP  74   8.876  -7.470  -7.506
  539    HA   ASP  74           HA       ASP  74   9.608  -8.991  -5.120
  540   1HB   ASP  74          2HB       ASP  74  11.522  -7.812  -6.202
  541   2HB   ASP  74          1HB       ASP  74  10.686  -6.289  -5.948
  542    H    VAL  75           H        VAL  75   7.126  -7.360  -6.324
  543    HA   VAL  75           HA       VAL  75   6.606  -5.810  -3.896
  544    HB   VAL  75           HB       VAL  75   4.866  -6.030  -6.388
  545   1HG1  VAL  75          1HG1      VAL  75   4.867  -4.096  -4.106
  546   2HG1  VAL  75          2HG1      VAL  75   3.655  -5.358  -4.388
  547   3HG1  VAL  75          3HG1      VAL  75   3.839  -4.007  -5.523
  548   1HG2  VAL  75          1HG2      VAL  75   5.643  -3.840  -6.970
  549   2HG2  VAL  75          2HG2      VAL  75   6.998  -5.001  -6.909
  550   3HG2  VAL  75          3HG2      VAL  75   6.748  -3.841  -5.591
  551    H    SER  76           H        SER  76   5.288  -6.611  -2.300
  552    HA   SER  76           HA       SER  76   3.645  -8.931  -2.822
  553   1HB   SER  76          2HB       SER  76   6.130  -9.599  -2.429
  554   2HB   SER  76          1HB       SER  76   5.859  -9.025  -0.781
  555    HG   SER  76           HG       SER  76   5.538 -11.243  -0.906
  556    HA   PRO  77           HA       PRO  77   1.459  -6.818   0.473
  557   1HB   PRO  77          2HB       PRO  77  -0.035  -8.815   1.491
  558   2HB   PRO  77          1HB       PRO  77  -0.345  -8.136  -0.114
  559   1HG   PRO  77          2HG       PRO  77   1.146 -10.627   0.629
  560   2HG   PRO  77          1HG       PRO  77  -0.073 -10.398  -0.638
  561   1HD   PRO  77          2HD       PRO  77   2.575 -10.411  -1.176
  562   2HD   PRO  77          1HD       PRO  77   1.432  -9.397  -2.083
  563    H    SER  78           H        SER  78   4.047  -8.453   1.119
  564    HA   SER  78           HA       SER  78   4.153  -7.801   3.928
  565   1HB   SER  78          2HB       SER  78   4.377 -10.694   3.099
  566   2HB   SER  78          1HB       SER  78   4.766  -9.923   4.655
  567    HG   SER  78           HG       SER  78   2.283  -9.294   3.890
  568    H    LEU  79           H        LEU  79   6.111  -8.685   4.807
  569    HA   LEU  79           HA       LEU  79   8.220  -7.546   3.210
  570   1HB   LEU  79          2HB       LEU  79   7.693  -8.221   6.042
  571   2HB   LEU  79          1HB       LEU  79   9.331  -8.014   5.499
  572    HG   LEU  79           HG       LEU  79   8.987  -5.655   5.097
  573   1HD1  LEU  79          1HD1      LEU  79   6.049  -6.113   5.586
  574   2HD1  LEU  79          2HD1      LEU  79   6.799  -5.761   4.004
  575   3HD1  LEU  79          3HD1      LEU  79   6.906  -4.596   5.324
  576   1HD2  LEU  79          1HD2      LEU  79   7.410  -6.511   7.382
  577   2HD2  LEU  79          2HD2      LEU  79   8.055  -4.878   7.089
  578   3HD2  LEU  79          3HD2      LEU  79   9.177  -6.258   7.404
  579    H    GLU  80           H        GLU  80   7.320 -10.329   4.992
  580    HA   GLU  80           HA       GLU  80   7.734 -12.362   5.092
  581   1HB   GLU  80          2HB       GLU  80   7.827 -13.721   3.078
  582   2HB   GLU  80          1HB       GLU  80   6.642 -12.452   2.998
  583   1HG   GLU  80          2HG       GLU  80   8.130 -11.119   1.577
  584   2HG   GLU  80          1HG       GLU  80   9.333 -12.405   1.643
  585    H    GLY  81           H        GLY  81  10.483 -11.119   3.326
  586   1HA   GLY  81          2HA       GLY  81  12.138 -12.846   5.033
  587   2HA   GLY  81          1HA       GLY  81  12.419 -12.829   3.297
  588    H    LEU  82           H        LEU  82  11.979 -10.488   5.943
  589    HA   LEU  82           HA       LEU  82  14.325  -9.053   4.988
  590   1HB   LEU  82          2HB       LEU  82  11.673  -7.912   5.843
  591   2HB   LEU  82          1HB       LEU  82  13.119  -6.980   5.507
  592    HG   LEU  82           HG       LEU  82  11.704  -8.674   3.444
  593   1HD1  LEU  82          1HD1      LEU  82  10.288  -6.881   4.119
  594   2HD1  LEU  82          2HD1      LEU  82  11.035  -6.493   2.540
  595   3HD1  LEU  82          3HD1      LEU  82  11.642  -5.736   4.025
  596   1HD2  LEU  82          1HD2      LEU  82  14.137  -8.187   3.160
  597   2HD2  LEU  82          2HD2      LEU  82  13.623  -6.463   3.124
  598   3HD2  LEU  82          3HD2      LEU  82  13.023  -7.592   1.918
  599    H    THR  83           H        THR  83  15.690  -8.745   6.594
  600    HA   THR  83           HA       THR  83  14.882  -9.132   9.353
  601    HB   THR  83           HB       THR  83  17.097 -10.010   8.552
  602    HG1  THR  83           1HG      THR  83  17.660  -9.731  10.506
  603   1HG2  THR  83          1HG2      THR  83  17.633  -8.276   6.912
  604   2HG2  THR  83          2HG2      THR  83  18.942  -8.425   8.089
  605   3HG2  THR  83          3HG2      THR  83  17.791  -7.094   8.210
  606    H    GLU  84           H        GLU  84  15.872  -7.232  10.913
  607    HA   GLU  84           HA       GLU  84  14.275  -5.023  10.459
  608   1HB   GLU  84          2HB       GLU  84  15.152  -5.542  12.697
  609   2HB   GLU  84          1HB       GLU  84  16.766  -5.069  12.178
  610   1HG   GLU  84          2HG       GLU  84  15.999  -2.796  11.772
  611   2HG   GLU  84          1HG       GLU  84  14.368  -3.251  12.242
  612    H    LYS  85           H        LYS  85  17.653  -5.440   9.635
  613    HA   LYS  85           HA       LYS  85  18.461  -2.900   8.786
  614   1HB   LYS  85          2HB       LYS  85  19.919  -4.871   8.757
  615   2HB   LYS  85          1HB       LYS  85  18.951  -5.581   7.475
  616   1HG   LYS  85          2HG       LYS  85  19.557  -3.479   6.142
  617   2HG   LYS  85          1HG       LYS  85  20.836  -3.264   7.340
  618   1HD   LYS  85          2HD       LYS  85  20.351  -5.667   5.621
  619   2HD   LYS  85          1HD       LYS  85  21.623  -4.472   5.362
  620   1HE   LYS  85          2HE       LYS  85  22.602  -5.098   7.559
  621   2HE   LYS  85          1HE       LYS  85  21.355  -6.333   7.731
  622   1HZ   LYS  85          1HZ       LYS  85  23.413  -6.225   5.600
  623   2HZ   LYS  85          2HZ       LYS  85  22.186  -7.379   5.719
  624   3HZ   LYS  85          3HZ       LYS  85  23.382  -7.301   6.913
  625    H    GLU  86           H        GLU  86  16.913  -5.423   6.906
  626    HA   GLU  86           HA       GLU  86  16.647  -4.102   4.480
  627   1HB   GLU  86          2HB       GLU  86  15.380  -6.373   5.863
  628   2HB   GLU  86          1HB       GLU  86  14.952  -6.046   4.226
  629   1HG   GLU  86          2HG       GLU  86  17.660  -6.770   5.345
  630   2HG   GLU  86          1HG       GLU  86  16.630  -7.795   4.350
  631    H    ILE  87           H        ILE  87  14.517  -4.711   7.171
  632    HA   ILE  87           HA       ILE  87  12.212  -3.605   6.083
  633    HB   ILE  87           HB       ILE  87  13.104  -4.093   8.854
  634   1HG1  ILE  87          2HG1      ILE  87  11.178  -5.600   7.097
  635   2HG1  ILE  87          1HG1      ILE  87  12.795  -6.086   7.559
  636   1HG2  ILE  87          1HG2      ILE  87  10.386  -3.300   7.844
  637   2HG2  ILE  87          2HG2      ILE  87  11.434  -2.339   8.907
  638   3HG2  ILE  87          3HG2      ILE  87  10.677  -3.840   9.507
  639   1HD1  ILE  87          1HD1      ILE  87  12.132  -6.277   9.870
  640   2HD1  ILE  87          2HD1      ILE  87  11.034  -7.253   8.872
  641   3HD1  ILE  87          3HD1      ILE  87  10.536  -5.664   9.484
  642    H    ASN  88           H        ASN  88  14.876  -2.123   7.864
  643    HA   ASN  88           HA       ASN  88  13.771   0.266   8.754
  644   1HB   ASN  88          2HB       ASN  88  16.512  -0.190   7.639
  645   2HB   ASN  88          1HB       ASN  88  16.013   1.399   8.145
  646   1HD2  ASN  88          1HD2      ASN  88  17.192  -1.590   9.037
  647   2HD2  ASN  88          2HD2      ASN  88  17.287  -1.352  10.743
  648    H    THR  89           H        THR  89  14.721  -0.531   5.516
  649    HA   THR  89           HA       THR  89  14.606   2.036   4.437
  650    HB   THR  89           HB       THR  89  14.099  -0.655   3.181
  651    HG1  THR  89           1HG      THR  89  16.160  -0.896   3.133
  652   1HG2  THR  89          1HG2      THR  89  13.387   1.161   1.815
  653   2HG2  THR  89          2HG2      THR  89  14.847   0.402   1.157
  654   3HG2  THR  89          3HG2      THR  89  14.953   1.975   2.004
  655    H    LEU  90           H        LEU  90  12.192  -0.566   4.572
  656    HA   LEU  90           HA       LEU  90  10.040   0.897   3.385
  657   1HB   LEU  90          2HB       LEU  90   9.540  -1.197   3.162
  658   2HB   LEU  90          1HB       LEU  90  10.498  -1.740   4.497
  659    HG   LEU  90           HG       LEU  90   8.488  -0.598   5.822
  660   1HD1  LEU  90          1HD1      LEU  90   7.135  -1.405   3.323
  661   2HD1  LEU  90          2HD1      LEU  90   7.262   0.215   4.025
  662   3HD1  LEU  90          3HD1      LEU  90   6.356  -1.047   4.862
  663   1HD2  LEU  90          1HD2      LEU  90   7.492  -2.781   6.054
  664   2HD2  LEU  90          2HD2      LEU  90   9.279  -2.810   6.112
  665   3HD2  LEU  90          3HD2      LEU  90   8.432  -3.316   4.651
  666    H    ASN  91           H        ASN  91  10.894  -0.061   6.615
  667    HA   ASN  91           HA       ASN  91   8.868   0.938   8.145
  668   1HB   ASN  91          2HB       ASN  91  11.003  -0.335   8.782
  669   2HB   ASN  91          1HB       ASN  91  11.781   1.231   8.864
  670   1HD2  ASN  91          1HD2      ASN  91  11.317  -0.830  10.859
  671   2HD2  ASN  91          2HD2      ASN  91  10.474  -0.091  12.147
  672    H    ASP  92           H        ASP  92  11.545   2.694   6.675
  673    HA   ASP  92           HA       ASP  92  10.908   5.277   7.742
  674   1HB   ASP  92          2HB       ASP  92  13.136   4.751   6.837
  675   2HB   ASP  92          1HB       ASP  92  12.436   4.508   5.243
  676    H    TRP  93           H        TRP  93  10.218   3.612   4.680
  677    HA   TRP  93           HA       TRP  93   8.728   5.628   3.435
  678   1HB   TRP  93          2HB       TRP  93   8.862   2.691   3.133
  679   2HB   TRP  93          1HB       TRP  93   7.711   3.586   2.178
  680    HD1  TRP  93           HD       TRP  93  10.990   2.156   1.884
  681    HE1  TRP  93           1HE      TRP  93  12.426   3.288   0.087
  682    HE3  TRP  93           3HE      TRP  93   8.266   6.437   1.278
  683    HZ2  TRP  93           2HZ      TRP  93  12.415   5.701  -1.383
  684    HZ3  TRP  93           3HZ      TRP  93   9.051   8.108  -0.342
  685    HH2  TRP  93           HH       TRP  93  11.087   7.741  -1.648
  686    H    GLU  94           H        GLU  94   7.710   3.083   5.601
  687    HA   GLU  94           HA       GLU  94   4.958   3.249   5.491
  688   1HB   GLU  94          2HB       GLU  94   6.702   3.092   7.943
  689   2HB   GLU  94          1HB       GLU  94   4.977   2.789   7.930
  690   1HG   GLU  94          2HG       GLU  94   5.294   0.887   6.526
  691   2HG   GLU  94          1HG       GLU  94   7.031   1.175   6.422
  692    H    THR  95           H        THR  95   7.166   5.110   7.298
  693    HA   THR  95           HA       THR  95   5.399   6.804   8.694
  694    HB   THR  95           HB       THR  95   8.220   7.352   7.841
  695    HG1  THR  95           1HG      THR  95   7.005   5.754   9.855
  696   1HG2  THR  95          1HG2      THR  95   7.089   9.287   8.874
  697   2HG2  THR  95          2HG2      THR  95   8.324   8.653   9.960
  698   3HG2  THR  95          3HG2      THR  95   6.625   8.292  10.256
  699    H    LYS  96           H        LYS  96   6.641   6.943   5.455
  700    HA   LYS  96           HA       LYS  96   6.442   9.788   5.172
  701   1HB   LYS  96          2HB       LYS  96   6.891   7.588   3.159
  702   2HB   LYS  96          1HB       LYS  96   7.069   9.314   2.843
  703   1HG   LYS  96          2HG       LYS  96   8.586   7.840   4.937
  704   2HG   LYS  96          1HG       LYS  96   9.268   8.055   3.357
  705   1HD   LYS  96          2HD       LYS  96   8.997  10.532   3.706
  706   2HD   LYS  96          1HD       LYS  96   8.475  10.175   5.354
  707   1HE   LYS  96          2HE       LYS  96  10.604   9.050   5.765
  708   2HE   LYS  96          1HE       LYS  96  11.124   9.437   4.133
  709   1HZ   LYS  96          1HZ       LYS  96  12.015  10.994   5.726
  710   2HZ   LYS  96          2HZ       LYS  96  10.473  11.427   6.246
  711   3HZ   LYS  96          3HZ       LYS  96  10.974  11.797   4.678
  712    H    PHE  97           H        PHE  97   4.749   6.956   4.222
  713    HA   PHE  97           HA       PHE  97   2.680   8.390   2.869
  714   1HB   PHE  97          2HB       PHE  97   3.176   5.556   3.582
  715   2HB   PHE  97          1HB       PHE  97   1.697   6.048   2.801
  716    HD1  PHE  97           1HD      PHE  97   5.369   5.821   2.415
  717    HD2  PHE  97           2HD      PHE  97   1.665   6.505   0.447
  718    HE1  PHE  97           1HE      PHE  97   6.496   5.637   0.242
  719    HE2  PHE  97           2HE      PHE  97   2.784   6.323  -1.727
  720    HZ   PHE  97           HZ       PHE  97   5.204   5.889  -1.834
  721    H    GLU  98           H        GLU  98   3.125   6.737   5.933
  722    HA   GLU  98           HA       GLU  98   0.437   6.614   6.742
  723   1HB   GLU  98          2HB       GLU  98   2.594   5.388   7.545
  724   2HB   GLU  98          1HB       GLU  98   2.807   6.767   8.591
  725   1HG   GLU  98          2HG       GLU  98   0.468   4.871   8.614
  726   2HG   GLU  98          1HG       GLU  98   1.845   4.798   9.673
  727    H    ALA  99           H        ALA  99   2.878   9.190   6.947
  728    HA   ALA  99           HA       ALA  99   1.283  10.734   8.844
  729   1HB   ALA  99          1HB       ALA  99   3.847  11.260   7.466
  730   2HB   ALA  99          2HB       ALA  99   3.734  10.570   9.099
  731   3HB   ALA  99          3HB       ALA  99   3.184  12.238   8.765
  732    H    LYS 100           H        LYS 100   0.933  10.116   5.777
  733    HA   LYS 100           HA       LYS 100   0.688  12.932   5.040
  734   1HB   LYS 100          2HB       LYS 100   2.706  11.720   4.173
  735   2HB   LYS 100          1HB       LYS 100   1.605  10.729   3.248
  736   1HG   LYS 100          2HG       LYS 100   2.399  12.322   1.753
  737   2HG   LYS 100          1HG       LYS 100   0.772  12.826   2.269
  738   1HD   LYS 100          2HD       LYS 100   3.115  13.803   3.707
  739   2HD   LYS 100          1HD       LYS 100   2.764  14.618   2.157
  740   1HE   LYS 100          2HE       LYS 100   1.193  14.619   4.790
  741   2HE   LYS 100          1HE       LYS 100   1.809  15.928   3.853
  742   1HZ   LYS 100          1HZ       LYS 100  -0.429  14.226   2.891
  743   2HZ   LYS 100          2HZ       LYS 100   0.210  15.568   2.122
  744   3HZ   LYS 100          3HZ       LYS 100  -0.574  15.747   3.595
  745    H    TYR 101           H        TYR 101  -0.355   9.614   4.572
  746    HA   TYR 101           HA       TYR 101  -2.822  10.562   3.315
  747   1HB   TYR 101          2HB       TYR 101  -1.429   7.887   3.026
  748   2HB   TYR 101          1HB       TYR 101  -2.864   8.423   2.147
  749    HD1  TYR 101           1HD      TYR 101   0.691   8.282   2.182
  750    HD2  TYR 101           2HD      TYR 101  -2.586  10.453   0.580
  751    HE1  TYR 101           1HE      TYR 101   2.168   9.219   0.467
  752    HE2  TYR 101           2HE      TYR 101  -1.115  11.394  -1.152
  753    HH   TYR 101           HH       TYR 101   1.994  10.173  -1.746
  754    HA   PRO 102           HA       PRO 102  -4.749   8.823   6.873
  755   1HB   PRO 102          2HB       PRO 102  -7.241   8.661   6.049
  756   2HB   PRO 102          1HB       PRO 102  -6.444  10.242   6.128
  757   1HG   PRO 102          2HG       PRO 102  -6.801   8.423   3.773
  758   2HG   PRO 102          1HG       PRO 102  -7.220  10.136   3.863
  759   1HD   PRO 102          2HD       PRO 102  -4.881   9.297   2.793
  760   2HD   PRO 102          1HD       PRO 102  -4.997  10.797   3.753
  761    H    VAL 103           H        VAL 103  -5.089   6.889   7.699
  762    HA   VAL 103           HA       VAL 103  -5.146   4.500   6.106
  763    HB   VAL 103           HB       VAL 103  -5.711   4.858   9.090
  764   1HG1  VAL 103          1HG1      VAL 103  -5.359   2.302   7.515
  765   2HG1  VAL 103          2HG1      VAL 103  -6.875   2.896   8.185
  766   3HG1  VAL 103          3HG1      VAL 103  -5.564   2.425   9.265
  767   1HG2  VAL 103          1HG2      VAL 103  -3.322   3.683   7.671
  768   2HG2  VAL 103          2HG2      VAL 103  -3.534   3.807   9.414
  769   3HG2  VAL 103          3HG2      VAL 103  -3.377   5.267   8.437
  770    H    VAL 104           H        VAL 104  -6.838   4.167   4.912
  771    HA   VAL 104           HA       VAL 104  -9.475   4.915   5.922
  772    HB   VAL 104           HB       VAL 104 -10.330   4.237   3.639
  773   1HG1  VAL 104          1HG1      VAL 104  -9.359   6.171   2.479
  774   2HG1  VAL 104          2HG1      VAL 104  -8.082   6.257   3.692
  775   3HG1  VAL 104          3HG1      VAL 104  -9.758   6.565   4.151
  776   1HG2  VAL 104          1HG2      VAL 104  -8.695   3.886   1.866
  777   2HG2  VAL 104          2HG2      VAL 104  -8.519   2.634   3.112
  778   3HG2  VAL 104          3HG2      VAL 104  -7.397   3.998   3.045
  779    H    GLY 105           H        GLY 105  -7.509   2.198   5.636
  780   1HA   GLY 105          2HA       GLY 105  -9.086   0.610   7.235
  781   2HA   GLY 105          1HA       GLY 105  -9.445   0.171   5.566
  782    H    ARG 106           H        ARG 106  -8.517  -1.814   5.666
  783    HA   ARG 106           HA       ARG 106  -5.602  -1.821   5.599
  784   1HB   ARG 106          2HB       ARG 106  -5.286  -3.659   7.091
  785   2HB   ARG 106          1HB       ARG 106  -6.293  -2.551   7.987
  786   1HG   ARG 106          2HG       ARG 106  -7.260  -4.962   6.509
  787   2HG   ARG 106          1HG       ARG 106  -7.077  -5.011   8.212
  788   1HD   ARG 106          2HD       ARG 106  -8.672  -2.881   8.034
  789   2HD   ARG 106          1HD       ARG 106  -8.865  -3.714   6.453
  790    HE   ARG 106           HE       ARG 106  -9.663  -5.657   7.586
  791   1HH1  ARG 106          1HH1      ARG 106  -9.426  -2.838   9.740
  792   2HH1  ARG 106          2HH1      ARG 106 -10.584  -3.423  10.823
  793   1HH2  ARG 106          1HH2      ARG 106 -11.140  -6.396   8.977
  794   2HH2  ARG 106          2HH2      ARG 106 -11.609  -5.577  10.420
  795    H    VAL 107           H        VAL 107  -4.856  -3.734   4.629
  796    HA   VAL 107           HA       VAL 107  -6.934  -4.996   3.083
  797    HB   VAL 107           HB       VAL 107  -5.044  -4.004   1.800
  798   1HG1  VAL 107          1HG1      VAL 107  -3.415  -6.060   3.195
  799   2HG1  VAL 107          2HG1      VAL 107  -3.365  -4.318   3.434
  800   3HG1  VAL 107          3HG1      VAL 107  -2.844  -5.012   1.873
  801   1HG2  VAL 107          1HG2      VAL 107  -6.326  -5.794   0.940
  802   2HG2  VAL 107          2HG2      VAL 107  -5.298  -6.970   1.744
  803   3HG2  VAL 107          3HG2      VAL 107  -4.643  -5.984   0.404
  804    H    VAL 108           H        VAL 108  -7.374  -7.034   3.394
  805    HA   VAL 108           HA       VAL 108  -5.930  -8.369   5.539
  806    HB   VAL 108           HB       VAL 108  -8.329  -7.386   5.689
  807   1HG1  VAL 108          1HG1      VAL 108  -9.080  -9.901   4.284
  808   2HG1  VAL 108          2HG1      VAL 108  -9.412  -8.200   3.871
  809   3HG1  VAL 108          3HG1      VAL 108 -10.166  -8.900   5.264
  810   1HG2  VAL 108          1HG2      VAL 108  -9.048  -9.007   7.291
  811   2HG2  VAL 108          2HG2      VAL 108  -7.390  -8.476   7.505
  812   3HG2  VAL 108          3HG2      VAL 108  -7.722 -10.106   6.836
  813    H    SER 109           H        SER 109  -5.289 -10.423   5.008
  814    HA   SER 109           HA       SER 109  -6.511 -11.694   2.762
  815   1HB   SER 109          2HB       SER 109  -3.540 -11.121   2.938
  816   2HB   SER 109          1HB       SER 109  -4.240 -12.261   1.791
  817    HG   SER 109           HG       SER 109  -5.446  -9.822   1.918
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1 -16.938  -0.915 -11.947
    2   2H    MET   1          2HT       MET   1 -15.331  -1.112 -12.294
    3   3H    MET   1          3HT       MET   1 -16.315  -0.317 -13.398
    4    HA   MET   1           HA       MET   1 -14.910   1.226 -12.216
    5   1HB   MET   1          2HB       MET   1 -17.787   1.406 -11.286
    6   2HB   MET   1          1HB       MET   1 -16.625   2.710 -11.209
    7   1HG   MET   1          2HG       MET   1 -16.507   2.742 -13.648
    8   2HG   MET   1          1HG       MET   1 -17.671   1.416 -13.712
    9   1HE   MET   1          1HE       MET   1 -19.754   4.508 -14.960
   10   2HE   MET   1          2HE       MET   1 -19.224   2.871 -15.336
   11   3HE   MET   1          3HE       MET   1 -18.048   4.184 -15.263
   12    H    GLY   2           H        GLY   2 -17.140  -0.418  -9.947
   13   1HA   GLY   2          2HA       GLY   2 -16.765  -1.078  -7.804
   14   2HA   GLY   2          1HA       GLY   2 -15.085  -0.564  -7.958
   15    H    HIS   3           H        HIS   3 -18.093   1.202  -8.402
   16    HA   HIS   3           HA       HIS   3 -16.954   3.261  -6.723
   17   1HB   HIS   3          2HB       HIS   3 -18.672   4.834  -7.566
   18   2HB   HIS   3          1HB       HIS   3 -17.749   4.110  -8.866
   19    HD1  HIS   3           1HD      HIS   3 -21.109   4.877  -7.862
   20    HD2  HIS   3           2HD      HIS   3 -19.353   1.953 -10.220
   21    HE1  HIS   3           1HE      HIS   3 -22.964   3.957  -9.300
   22    HE2  HIS   3           2HE      HIS   3 -21.876   2.195 -10.717
   23    H    HIS   4           H        HIS   4 -17.227   1.758  -5.011
   24    HA   HIS   4           HA       HIS   4 -19.342   2.679  -3.300
   25   1HB   HIS   4          2HB       HIS   4 -19.047  -0.273  -3.928
   26   2HB   HIS   4          1HB       HIS   4 -19.773   0.304  -2.442
   27    HD1  HIS   4           1HD      HIS   4 -20.590  -0.751  -5.745
   28    HD2  HIS   4           2HD      HIS   4 -22.167   1.964  -3.044
   29    HE1  HIS   4           1HE      HIS   4 -22.963  -0.357  -6.483
   30    HE2  HIS   4           2HE      HIS   4 -23.939   1.094  -4.662
   31    H    HIS   5           H        HIS   5 -18.461   3.083  -1.444
   32    HA   HIS   5           HA       HIS   5 -15.933   1.750  -0.836
   33   1HB   HIS   5          2HB       HIS   5 -16.919   4.487  -0.024
   34   2HB   HIS   5          1HB       HIS   5 -15.505   3.711   0.678
   35    HD1  HIS   5           1HD      HIS   5 -13.368   3.783  -0.629
   36    HD2  HIS   5           2HD      HIS   5 -16.615   5.276  -2.745
   37    HE1  HIS   5           1HE      HIS   5 -12.404   4.876  -2.672
   38    HE2  HIS   5           2HE      HIS   5 -14.351   6.100  -3.646
   39    H    HIS   6           H        HIS   6 -15.546   1.210   1.282
   40    HA   HIS   6           HA       HIS   6 -17.947   0.325   2.688
   41   1HB   HIS   6          2HB       HIS   6 -15.042  -0.009   3.561
   42   2HB   HIS   6          1HB       HIS   6 -16.432  -0.835   4.207
   43    HD1  HIS   6           1HD      HIS   6 -14.311  -0.736   1.040
   44    HD2  HIS   6           2HD      HIS   6 -17.087  -3.189   2.950
   45    HE1  HIS   6           1HE      HIS   6 -14.263  -2.900  -0.194
   46    HE2  HIS   6           2HE      HIS   6 -15.644  -4.427   1.236
   47    H    HIS   7           H        HIS   7 -18.870   2.169   3.470
   48    HA   HIS   7           HA       HIS   7 -17.275   4.264   4.587
   49   1HB   HIS   7          2HB       HIS   7 -19.313   4.756   3.243
   50   2HB   HIS   7          1HB       HIS   7 -20.294   4.038   4.509
   51    HD1  HIS   7           1HD      HIS   7 -21.492   5.938   5.621
   52    HD2  HIS   7           2HD      HIS   7 -17.528   6.881   4.784
   53    HE1  HIS   7           1HE      HIS   7 -21.132   8.233   6.539
   54    HE2  HIS   7           2HE      HIS   7 -18.677   8.677   6.221
   55    H    HIS   8           H        HIS   8 -16.258   3.474   6.261
   56    HA   HIS   8           HA       HIS   8 -17.130   3.878   8.829
   57   1HB   HIS   8          2HB       HIS   8 -18.576   1.821   8.491
   58   2HB   HIS   8          1HB       HIS   8 -17.118   0.898   8.155
   59    HD1  HIS   8           1HD      HIS   8 -17.008  -0.642  10.143
   60    HD2  HIS   8           2HD      HIS   8 -17.694   3.301  11.240
   61    HE1  HIS   8           1HE      HIS   8 -16.898  -0.608  12.630
   62    HE2  HIS   8           2HE      HIS   8 -17.564   1.712  13.266
   63    H    LEU   9           H        LEU   9 -15.327   1.519   6.949
   64    HA   LEU   9           HA       LEU   9 -12.901   2.741   6.989
   65   1HB   LEU   9          2HB       LEU   9 -11.495   1.373   8.435
   66   2HB   LEU   9          1HB       LEU   9 -12.780   1.980   9.432
   67    HG   LEU   9           HG       LEU   9 -12.325  -0.187  10.164
   68   1HD1  LEU   9          1HD1      LEU   9 -14.770  -0.400   8.496
   69   2HD1  LEU   9          2HD1      LEU   9 -14.632   0.182  10.155
   70   3HD1  LEU   9          3HD1      LEU   9 -14.303  -1.513   9.779
   71   1HD2  LEU   9          1HD2      LEU   9 -12.268  -2.208   8.751
   72   2HD2  LEU   9          2HD2      LEU   9 -11.012  -1.044   8.332
   73   3HD2  LEU   9          3HD2      LEU   9 -12.452  -1.190   7.323
   74    H    GLU  10           H        GLU  10 -11.517   1.510   5.551
   75    HA   GLU  10           HA       GLU  10 -13.260  -0.396   4.233
   76   1HB   GLU  10          2HB       GLU  10 -11.093   1.235   2.968
   77   2HB   GLU  10          1HB       GLU  10 -12.080   0.037   2.144
   78   1HG   GLU  10          2HG       GLU  10 -14.047   1.468   3.026
   79   2HG   GLU  10          1HG       GLU  10 -12.823   2.724   3.174
   80    H    GLU  11           H        GLU  11 -12.889  -2.438   4.573
   81    HA   GLU  11           HA       GLU  11 -10.231  -3.326   4.686
   82   1HB   GLU  11          2HB       GLU  11 -11.805  -4.406   6.122
   83   2HB   GLU  11          1HB       GLU  11 -12.902  -4.685   4.773
   84   1HG   GLU  11          2HG       GLU  11 -11.363  -6.153   3.745
   85   2HG   GLU  11          1HG       GLU  11 -10.128  -5.856   4.847
   86    H    PHE  12           H        PHE  12  -9.215  -3.791   3.018
   87    HA   PHE  12           HA       PHE  12 -10.602  -4.370   0.520
   88   1HB   PHE  12          2HB       PHE  12  -8.047  -3.072   1.224
   89   2HB   PHE  12          1HB       PHE  12  -8.399  -3.899  -0.271
   90    HD1  PHE  12           1HD      PHE  12  -8.985  -0.903   1.799
   91    HD2  PHE  12           2HD      PHE  12 -10.090  -2.864  -1.819
   92    HE1  PHE  12           1HE      PHE  12  -9.989   1.166   0.985
   93    HE2  PHE  12           2HE      PHE  12 -11.109  -0.782  -2.621
   94    HZ   PHE  12           HZ       PHE  12 -11.055   1.236  -1.223
   95    H    THR  13           H        THR  13 -10.159  -6.319  -0.311
   96    HA   THR  13           HA       THR  13  -8.029  -7.812   0.970
   97    HB   THR  13           HB       THR  13  -9.846  -8.818  -1.229
   98    HG1  THR  13           1HG      THR  13 -10.701  -7.899   1.013
   99   1HG2  THR  13          1HG2      THR  13  -9.395 -10.981  -0.174
  100   2HG2  THR  13          2HG2      THR  13  -8.405 -10.138   1.045
  101   3HG2  THR  13          3HG2      THR  13  -7.900 -10.146  -0.638
  102    H    ALA  14           H        ALA  14  -6.488  -8.880  -0.454
  103    HA   ALA  14           HA       ALA  14  -4.967  -6.908  -1.720
  104   1HB   ALA  14          1HB       ALA  14  -4.520  -9.845  -2.137
  105   2HB   ALA  14          2HB       ALA  14  -4.028  -8.930  -0.710
  106   3HB   ALA  14          3HB       ALA  14  -3.336  -8.544  -2.287
  107    H    GLU  15           H        GLU  15  -6.792  -9.429  -3.525
  108    HA   GLU  15           HA       GLU  15  -5.873  -8.382  -6.023
  109   1HB   GLU  15          2HB       GLU  15  -8.243 -10.218  -5.507
  110   2HB   GLU  15          1HB       GLU  15  -7.587  -9.830  -7.081
  111   1HG   GLU  15          2HG       GLU  15  -5.462 -10.862  -6.467
  112   2HG   GLU  15          1HG       GLU  15  -6.118 -11.280  -4.892
  113    H    GLN  16           H        GLN  16  -8.610  -7.877  -4.027
  114    HA   GLN  16           HA       GLN  16 -10.108  -6.268  -5.749
  115   1HB   GLN  16          2HB       GLN  16 -10.001  -6.628  -2.823
  116   2HB   GLN  16          1HB       GLN  16 -11.075  -5.427  -3.512
  117   1HG   GLN  16          2HG       GLN  16 -12.284  -7.061  -4.697
  118   2HG   GLN  16          1HG       GLN  16 -11.048  -8.283  -4.397
  119   1HE2  GLN  16          1HE2      GLN  16 -10.916  -9.207  -2.563
  120   2HE2  GLN  16          2HE2      GLN  16 -12.046  -9.126  -1.293
  121    H    LEU  17           H        LEU  17  -7.637  -5.544  -3.344
  122    HA   LEU  17           HA       LEU  17  -7.700  -2.736  -3.288
  123   1HB   LEU  17          2HB       LEU  17  -6.347  -4.459  -1.871
  124   2HB   LEU  17          1HB       LEU  17  -5.178  -4.406  -3.161
  125    HG   LEU  17           HG       LEU  17  -4.341  -3.016  -1.404
  126   1HD1  LEU  17          1HD1      LEU  17  -4.180  -0.848  -2.251
  127   2HD1  LEU  17          2HD1      LEU  17  -5.466  -1.205  -3.407
  128   3HD1  LEU  17          3HD1      LEU  17  -3.926  -2.084  -3.489
  129   1HD2  LEU  17          1HD2      LEU  17  -5.565  -1.167  -0.437
  130   2HD2  LEU  17          2HD2      LEU  17  -6.349  -2.720  -0.146
  131   3HD2  LEU  17          3HD2      LEU  17  -6.981  -1.628  -1.386
  132    H    SER  18           H        SER  18  -6.148  -5.046  -5.415
  133    HA   SER  18           HA       SER  18  -4.523  -3.349  -6.921
  134   1HB   SER  18          2HB       SER  18  -5.817  -5.958  -7.727
  135   2HB   SER  18          1HB       SER  18  -4.440  -5.201  -8.529
  136    HG   SER  18           HG       SER  18  -4.547  -6.167  -5.848
  137    H    GLN  19           H        GLN  19  -7.902  -3.790  -6.953
  138    HA   GLN  19           HA       GLN  19  -8.318  -2.872  -9.673
  139   1HB   GLN  19          2HB       GLN  19 -10.275  -3.450  -7.445
  140   2HB   GLN  19          1HB       GLN  19 -10.694  -3.123  -9.121
  141   1HG   GLN  19          2HG       GLN  19  -9.607  -5.144  -9.840
  142   2HG   GLN  19          1HG       GLN  19  -9.011  -5.440  -8.211
  143   1HE2  GLN  19          1HE2      GLN  19  -9.996  -7.403  -8.099
  144   2HE2  GLN  19          2HE2      GLN  19 -11.698  -7.618  -7.919
  145    H    TYR  20           H        TYR  20  -7.448  -1.363  -6.903
  146    HA   TYR  20           HA       TYR  20  -8.967   1.089  -7.524
  147   1HB   TYR  20          2HB       TYR  20  -7.923   0.114  -4.849
  148   2HB   TYR  20          1HB       TYR  20  -8.550   1.725  -5.157
  149    HD1  TYR  20           1HD      TYR  20  -9.569  -1.849  -5.392
  150    HD2  TYR  20           2HD      TYR  20 -10.830   2.164  -4.829
  151    HE1  TYR  20           1HE      TYR  20 -11.838  -2.643  -4.920
  152    HE2  TYR  20           2HE      TYR  20 -13.120   1.381  -4.351
  153    HH   TYR  20           HH       TYR  20 -13.798  -1.869  -3.728
  154    H    ASN  21           H        ASN  21  -6.463   0.171  -8.732
  155    HA   ASN  21           HA       ASN  21  -4.516   1.944  -7.557
  156   1HB   ASN  21          2HB       ASN  21  -2.934   1.255  -9.267
  157   2HB   ASN  21          1HB       ASN  21  -3.740  -0.166  -8.638
  158   1HD2  ASN  21          1HD2      ASN  21  -5.077  -1.373 -10.025
  159   2HD2  ASN  21          2HD2      ASN  21  -5.054  -1.093 -11.716
  160    H    GLY  22           H        GLY  22  -7.124   2.578  -9.246
  161   1HA   GLY  22          2HA       GLY  22  -7.777   4.752  -9.857
  162   2HA   GLY  22          1HA       GLY  22  -6.087   5.197 -10.007
  163    H    THR  23           H        THR  23  -6.168   2.509 -11.688
  164    HA   THR  23           HA       THR  23  -6.186   3.979 -14.125
  165    HB   THR  23           HB       THR  23  -4.654   2.114 -13.643
  166    HG1  THR  23           1HG      THR  23  -4.647   1.402 -15.766
  167   1HG2  THR  23          1HG2      THR  23  -7.097   0.416 -14.106
  168   2HG2  THR  23          2HG2      THR  23  -6.146   0.524 -12.621
  169   3HG2  THR  23          3HG2      THR  23  -5.450  -0.215 -14.064
  170    H    ASP  24           H        ASP  24  -8.630   2.288 -12.436
  171    HA   ASP  24           HA       ASP  24 -10.077   1.573 -14.782
  172   1HB   ASP  24          2HB       ASP  24 -10.382   0.431 -12.425
  173   2HB   ASP  24          1HB       ASP  24 -11.205   1.901 -12.050
  174    H    GLU  25           H        GLU  25 -10.262   3.474 -15.918
  175    HA   GLU  25           HA       GLU  25 -11.280   5.196 -16.767
  176   1HB   GLU  25          2HB       GLU  25 -13.222   4.949 -14.471
  177   2HB   GLU  25          1HB       GLU  25 -13.441   5.982 -15.877
  178   1HG   GLU  25          2HG       GLU  25 -13.244   2.978 -15.902
  179   2HG   GLU  25          1HG       GLU  25 -14.720   3.922 -16.093
  180    H    SER  26           H        SER  26 -11.416   5.715 -13.296
  181    HA   SER  26           HA       SER  26  -9.591   7.870 -13.171
  182   1HB   SER  26          2HB       SER  26 -11.202   9.761 -13.061
  183   2HB   SER  26          1HB       SER  26 -11.204   8.852 -14.600
  184    HG   SER  26           HG       SER  26 -13.301   9.019 -14.154
  185    H    LYS  27           H        LYS  27 -10.801   5.486 -11.705
  186    HA   LYS  27           HA       LYS  27 -12.268   6.488  -9.485
  187   1HB   LYS  27          2HB       LYS  27 -12.201   4.170  -8.657
  188   2HB   LYS  27          1HB       LYS  27 -12.535   4.197 -10.371
  189   1HG   LYS  27          2HG       LYS  27 -10.272   3.533 -10.826
  190   2HG   LYS  27          1HG       LYS  27  -9.888   3.618  -9.103
  191   1HD   LYS  27          2HD       LYS  27 -11.982   1.818 -10.323
  192   2HD   LYS  27          1HD       LYS  27 -10.367   1.301  -9.821
  193   1HE   LYS  27          2HE       LYS  27 -10.960   1.935  -7.501
  194   2HE   LYS  27          1HE       LYS  27 -12.558   2.416  -8.066
  195   1HZ   LYS  27          1HZ       LYS  27 -12.585   0.181  -7.153
  196   2HZ   LYS  27          2HZ       LYS  27 -11.452  -0.313  -8.330
  197   3HZ   LYS  27          3HZ       LYS  27 -12.971   0.194  -8.795
  198    HA   PRO  28           HA       PRO  28  -9.309   7.637  -6.359
  199   1HB   PRO  28          2HB       PRO  28 -10.053   5.920  -4.290
  200   2HB   PRO  28          1HB       PRO  28 -10.770   7.496  -4.628
  201   1HG   PRO  28          2HG       PRO  28 -11.687   4.781  -5.463
  202   2HG   PRO  28          1HG       PRO  28 -12.649   6.148  -4.865
  203   1HD   PRO  28          2HD       PRO  28 -12.636   5.629  -7.441
  204   2HD   PRO  28          1HD       PRO  28 -12.468   7.304  -6.897
  205    H    ILE  29           H        ILE  29  -7.428   7.004  -5.302
  206    HA   ILE  29           HA       ILE  29  -6.349   4.442  -6.258
  207    HB   ILE  29           HB       ILE  29  -4.737   6.965  -5.663
  208   1HG1  ILE  29          2HG1      ILE  29  -4.309   7.014  -8.163
  209   2HG1  ILE  29          1HG1      ILE  29  -5.646   5.873  -8.328
  210   1HG2  ILE  29          1HG2      ILE  29  -4.005   4.386  -6.992
  211   2HG2  ILE  29          2HG2      ILE  29  -3.517   4.902  -5.384
  212   3HG2  ILE  29          3HG2      ILE  29  -2.925   5.770  -6.811
  213   1HD1  ILE  29          1HD1      ILE  29  -5.714   8.698  -7.336
  214   2HD1  ILE  29          2HD1      ILE  29  -7.116   7.621  -7.362
  215   3HD1  ILE  29          3HD1      ILE  29  -6.338   8.111  -8.876
  216    H    TYR  30           H        TYR  30  -5.404   3.099  -4.735
  217    HA   TYR  30           HA       TYR  30  -4.976   4.141  -2.017
  218   1HB   TYR  30          2HB       TYR  30  -6.653   1.717  -2.682
  219   2HB   TYR  30          1HB       TYR  30  -6.045   2.094  -1.076
  220    HD1  TYR  30           1HD      TYR  30  -6.780   4.169   0.030
  221    HD2  TYR  30           2HD      TYR  30  -8.617   2.767  -3.519
  222    HE1  TYR  30           1HE      TYR  30  -8.699   5.617   0.458
  223    HE2  TYR  30           2HE      TYR  30 -10.549   4.209  -3.100
  224    HH   TYR  30           HH       TYR  30 -10.365   6.697  -0.847
  225    H    VAL  31           H        VAL  31  -3.297   3.554  -1.075
  226    HA   VAL  31           HA       VAL  31  -1.745   1.334  -2.235
  227    HB   VAL  31           HB       VAL  31   0.235   2.317  -1.168
  228   1HG1  VAL  31          1HG1      VAL  31  -1.128   4.259  -3.012
  229   2HG1  VAL  31          2HG1      VAL  31  -0.077   2.889  -3.444
  230   3HG1  VAL  31          3HG1      VAL  31   0.588   4.255  -2.573
  231   1HG2  VAL  31          1HG2      VAL  31   0.210   4.603  -0.282
  232   2HG2  VAL  31          2HG2      VAL  31  -0.776   3.473   0.656
  233   3HG2  VAL  31          3HG2      VAL  31  -1.550   4.612  -0.449
  234    H    ALA  32           H        ALA  32  -0.655  -0.002  -0.694
  235    HA   ALA  32           HA       ALA  32  -1.688   0.265   2.007
  236   1HB   ALA  32          1HB       ALA  32  -3.012  -1.437   0.848
  237   2HB   ALA  32          2HB       ALA  32  -2.027  -2.150   2.126
  238   3HB   ALA  32          3HB       ALA  32  -1.541  -2.315   0.441
  239    H    ILE  33           H        ILE  33  -0.224  -0.054   3.519
  240    HA   ILE  33           HA       ILE  33   2.341  -1.245   2.727
  241    HB   ILE  33           HB       ILE  33   1.983   1.162   4.531
  242   1HG1  ILE  33          2HG1      ILE  33   3.291   0.964   1.818
  243   2HG1  ILE  33          1HG1      ILE  33   1.769   1.773   2.149
  244   1HG2  ILE  33          1HG2      ILE  33   3.770  -0.210   5.342
  245   2HG2  ILE  33          2HG2      ILE  33   4.469   1.225   4.548
  246   3HG2  ILE  33          3HG2      ILE  33   4.466  -0.322   3.728
  247   1HD1  ILE  33          1HD1      ILE  33   3.598   3.374   1.964
  248   2HD1  ILE  33          2HD1      ILE  33   4.461   2.529   3.251
  249   3HD1  ILE  33          3HD1      ILE  33   2.951   3.359   3.610
  250    H    LYS  34           H        LYS  34   2.272  -3.105   3.812
  251    HA   LYS  34           HA       LYS  34   2.572  -4.501   5.574
  252   1HB   LYS  34          2HB       LYS  34   3.939  -2.572   6.438
  253   2HB   LYS  34          1HB       LYS  34   2.521  -1.895   7.175
  254   1HG   LYS  34          2HG       LYS  34   3.701  -4.536   8.023
  255   2HG   LYS  34          1HG       LYS  34   4.275  -2.997   8.650
  256   1HD   LYS  34          2HD       LYS  34   1.907  -2.560   9.395
  257   2HD   LYS  34          1HD       LYS  34   1.543  -4.222   8.938
  258   1HE   LYS  34          2HE       LYS  34   2.013  -4.113  11.292
  259   2HE   LYS  34          1HE       LYS  34   3.282  -5.006  10.464
  260   1HZ   LYS  34          1HZ       LYS  34   4.171  -3.436  12.089
  261   2HZ   LYS  34          2HZ       LYS  34   3.518  -2.129  11.242
  262   3HZ   LYS  34          3HZ       LYS  34   4.706  -3.070  10.551
  263    H    GLY  35           H        GLY  35   0.019  -3.378   4.498
  264   1HA   GLY  35          2HA       GLY  35  -2.032  -4.407   4.798
  265   2HA   GLY  35          1HA       GLY  35  -1.821  -4.509   6.498
  266    H    ARG  36           H        ARG  36  -0.745  -1.491   5.951
  267    HA   ARG  36           HA       ARG  36  -3.317  -0.401   6.725
  268   1HB   ARG  36          2HB       ARG  36  -0.599   0.935   6.570
  269   2HB   ARG  36          1HB       ARG  36  -2.037   1.585   7.355
  270   1HG   ARG  36          2HG       ARG  36  -2.008  -0.324   8.930
  271   2HG   ARG  36          1HG       ARG  36  -0.544  -0.888   8.106
  272   1HD   ARG  36          2HD       ARG  36  -0.030   0.271  10.222
  273   2HD   ARG  36          1HD       ARG  36   0.664   1.086   8.828
  274    HE   ARG  36           HE       ARG  36  -0.642   2.907   9.244
  275   1HH1  ARG  36          1HH1      ARG  36  -1.833   0.254  11.317
  276   2HH1  ARG  36          2HH1      ARG  36  -2.728   1.297  12.325
  277   1HH2  ARG  36          1HH2      ARG  36  -1.853   4.280  10.682
  278   2HH2  ARG  36          2HH2      ARG  36  -2.750   3.614  11.968
  279    H    VAL  37           H        VAL  37  -4.637   0.406   5.235
  280    HA   VAL  37           HA       VAL  37  -3.582   1.073   2.605
  281    HB   VAL  37           HB       VAL  37  -6.447   0.770   3.567
  282   1HG1  VAL  37          1HG1      VAL  37  -6.320   2.407   1.752
  283   2HG1  VAL  37          2HG1      VAL  37  -7.076   0.910   1.203
  284   3HG1  VAL  37          3HG1      VAL  37  -5.396   1.262   0.778
  285   1HG2  VAL  37          1HG2      VAL  37  -4.739  -0.936   1.782
  286   2HG2  VAL  37          2HG2      VAL  37  -6.436  -1.222   2.163
  287   3HG2  VAL  37          3HG2      VAL  37  -5.218  -1.314   3.436
  288    H    PHE  38           H        PHE  38  -3.320   3.019   1.923
  289    HA   PHE  38           HA       PHE  38  -4.365   5.275   3.522
  290   1HB   PHE  38          2HB       PHE  38  -1.988   5.101   1.730
  291   2HB   PHE  38          1HB       PHE  38  -2.458   6.552   2.613
  292    HD1  PHE  38           1HD      PHE  38  -0.894   3.248   2.796
  293    HD2  PHE  38           2HD      PHE  38  -2.025   6.694   5.005
  294    HE1  PHE  38           1HE      PHE  38   0.547   2.528   4.641
  295    HE2  PHE  38           2HE      PHE  38  -0.586   5.976   6.860
  296    HZ   PHE  38           HZ       PHE  38   0.707   3.888   6.680
  297    H    ASP  39           H        ASP  39  -5.392   6.922   2.408
  298    HA   ASP  39           HA       ASP  39  -6.199   6.365  -0.345
  299   1HB   ASP  39          2HB       ASP  39  -7.831   7.325   1.372
  300   2HB   ASP  39          1HB       ASP  39  -6.892   8.806   1.329
  301    H    VAL  40           H        VAL  40  -4.944   6.990  -1.943
  302    HA   VAL  40           HA       VAL  40  -3.322   9.422  -1.583
  303    HB   VAL  40           HB       VAL  40  -1.665   8.418  -3.174
  304   1HG1  VAL  40          1HG1      VAL  40  -0.644   6.885  -1.603
  305   2HG1  VAL  40          2HG1      VAL  40  -2.145   6.824  -0.664
  306   3HG1  VAL  40          3HG1      VAL  40  -1.234   8.333  -0.797
  307   1HG2  VAL  40          1HG2      VAL  40  -1.703   6.037  -3.599
  308   2HG2  VAL  40          2HG2      VAL  40  -3.152   6.808  -4.244
  309   3HG2  VAL  40          3HG2      VAL  40  -3.237   5.884  -2.741
  310    H    THR  41           H        THR  41  -6.010   9.070  -2.652
  311    HA   THR  41           HA       THR  41  -6.033   9.073  -5.444
  312    HB   THR  41           HB       THR  41  -7.997  10.395  -3.569
  313    HG1  THR  41           1HG      THR  41  -8.046   8.402  -2.905
  314   1HG2  THR  41          1HG2      THR  41  -8.249   9.292  -6.365
  315   2HG2  THR  41          2HG2      THR  41  -8.376  10.987  -5.892
  316   3HG2  THR  41          3HG2      THR  41  -9.612   9.832  -5.383
  317    H    THR  42           H        THR  42  -5.472  11.616  -3.093
  318    HA   THR  42           HA       THR  42  -5.796  13.800  -4.859
  319    HB   THR  42           HB       THR  42  -4.651  15.017  -2.954
  320    HG1  THR  42           1HG      THR  42  -3.780  13.845  -1.414
  321   1HG2  THR  42          1HG2      THR  42  -7.109  14.819  -3.098
  322   2HG2  THR  42          2HG2      THR  42  -6.567  14.741  -1.421
  323   3HG2  THR  42          3HG2      THR  42  -7.024  13.264  -2.271
  324    H    GLY  43           H        GLY  43  -3.224  11.649  -4.020
  325   1HA   GLY  43          2HA       GLY  43  -1.247  13.305  -5.423
  326   2HA   GLY  43          1HA       GLY  43  -0.872  11.989  -4.314
  327    H    LYS  44           H        LYS  44  -3.187  12.070  -6.939
  328    HA   LYS  44           HA       LYS  44  -2.568   9.508  -7.886
  329   1HB   LYS  44          2HB       LYS  44  -4.683  10.693  -8.344
  330   2HB   LYS  44          1HB       LYS  44  -3.815  11.771  -9.429
  331   1HG   LYS  44          2HG       LYS  44  -3.187   9.791 -10.797
  332   2HG   LYS  44          1HG       LYS  44  -4.227   8.808  -9.767
  333   1HD   LYS  44          2HD       LYS  44  -6.097  10.351 -10.344
  334   2HD   LYS  44          1HD       LYS  44  -4.973  11.134 -11.457
  335   1HE   LYS  44          2HE       LYS  44  -4.679   9.022 -12.681
  336   2HE   LYS  44          1HE       LYS  44  -5.831   8.250 -11.593
  337   1HZ   LYS  44          1HZ       LYS  44  -6.896   8.907 -13.676
  338   2HZ   LYS  44          2HZ       LYS  44  -6.422  10.504 -13.416
  339   3HZ   LYS  44          3HZ       LYS  44  -7.532   9.806 -12.392
  340    H    SER  45           H        SER  45  -1.328  12.673  -8.752
  341    HA   SER  45           HA       SER  45   0.106  11.958 -11.056
  342   1HB   SER  45          2HB       SER  45   0.666  14.146  -9.059
  343   2HB   SER  45          1HB       SER  45   1.335  14.060 -10.692
  344    HG   SER  45           HG       SER  45  -0.776  15.271 -10.090
  345    H    PHE  46           H        PHE  46   0.617  10.899  -7.960
  346    HA   PHE  46           HA       PHE  46   3.434  10.299  -8.514
  347   1HB   PHE  46          2HB       PHE  46   1.919  10.186  -5.899
  348   2HB   PHE  46          1HB       PHE  46   3.605   9.749  -6.113
  349    HD1  PHE  46           1HD      PHE  46   1.233  12.403  -5.615
  350    HD2  PHE  46           2HD      PHE  46   5.243  11.503  -6.689
  351    HE1  PHE  46           1HE      PHE  46   1.874  14.721  -5.140
  352    HE2  PHE  46           2HE      PHE  46   5.896  13.813  -6.218
  353    HZ   PHE  46           HZ       PHE  46   4.210  15.433  -5.440
  354    H    TYR  47           H        TYR  47   0.346   8.964  -7.354
  355    HA   TYR  47           HA       TYR  47   1.489   6.308  -7.481
  356   1HB   TYR  47          2HB       TYR  47  -1.076   7.290  -6.256
  357   2HB   TYR  47          1HB       TYR  47  -0.474   5.638  -6.141
  358    HD1  TYR  47           1HD      TYR  47   1.504   5.137  -4.769
  359    HD2  TYR  47           2HD      TYR  47  -0.024   9.092  -5.011
  360    HE1  TYR  47           1HE      TYR  47   2.904   5.797  -2.862
  361    HE2  TYR  47           2HE      TYR  47   1.365   9.760  -3.106
  362    HH   TYR  47           HH       TYR  47   3.874   7.770  -1.930
  363    H    GLY  48           H        GLY  48  -1.686   7.692  -8.557
  364   1HA   GLY  48          2HA       GLY  48  -2.146   5.218  -9.996
  365   2HA   GLY  48          1HA       GLY  48  -3.275   6.539  -9.812
  366    H    SER  49           H        SER  49  -0.592   8.025 -10.791
  367    HA   SER  49           HA       SER  49  -0.629   7.378 -13.570
  368   1HB   SER  49          2HB       SER  49  -2.677   8.686 -13.289
  369   2HB   SER  49          1HB       SER  49  -1.763  10.043 -12.631
  370    HG   SER  49           HG       SER  49  -1.121   8.964 -15.157
  371    H    GLY  50           H        GLY  50   1.054   7.698 -11.149
  372   1HA   GLY  50          2HA       GLY  50   2.743   9.972 -11.884
  373   2HA   GLY  50          1HA       GLY  50   2.849   9.041 -10.392
  374    H    GLY  51           H        GLY  51   2.404   6.680 -12.177
  375   1HA   GLY  51          2HA       GLY  51   3.542   5.168 -13.263
  376   2HA   GLY  51          1HA       GLY  51   4.695   6.379 -13.861
  377    H    ASP  52           H        ASP  52   5.681   7.087 -11.394
  378    HA   ASP  52           HA       ASP  52   7.592   5.036 -10.964
  379   1HB   ASP  52          2HB       ASP  52   8.030   7.377 -10.819
  380   2HB   ASP  52          1HB       ASP  52   6.943   7.480  -9.432
  381    H    TYR  53           H        TYR  53   4.844   6.212  -9.073
  382    HA   TYR  53           HA       TYR  53   5.243   4.007  -7.186
  383   1HB   TYR  53          2HB       TYR  53   3.441   6.419  -7.050
  384   2HB   TYR  53          1HB       TYR  53   3.501   5.160  -5.828
  385    HD1  TYR  53           1HD      TYR  53   4.935   8.205  -7.068
  386    HD2  TYR  53           2HD      TYR  53   5.630   4.895  -4.499
  387    HE1  TYR  53           1HE      TYR  53   6.654   9.494  -5.892
  388    HE2  TYR  53           2HE      TYR  53   7.364   6.172  -3.310
  389    HH   TYR  53           HH       TYR  53   8.853   8.079  -3.759
  390    H    SER  54           H        SER  54   4.172   3.790  -9.956
  391    HA   SER  54           HA       SER  54   1.379   3.480 -10.051
  392   1HB   SER  54          2HB       SER  54   1.853   2.310 -12.175
  393   2HB   SER  54          1HB       SER  54   2.937   3.668 -11.904
  394    HG   SER  54           HG       SER  54   4.506   2.482 -12.051
  395    H    MET  55           H        MET  55   3.893   1.479  -8.957
  396    HA   MET  55           HA       MET  55   2.403  -0.997  -9.019
  397   1HB   MET  55          2HB       MET  55   5.163  -0.436  -7.945
  398   2HB   MET  55          1HB       MET  55   4.493  -2.006  -8.401
  399   1HG   MET  55          2HG       MET  55   4.776   0.310 -10.146
  400   2HG   MET  55          1HG       MET  55   5.987  -0.877 -10.250
  401   1HE   MET  55          1HE       MET  55   4.603  -0.026 -12.857
  402   2HE   MET  55          2HE       MET  55   4.148  -1.558 -13.603
  403   3HE   MET  55          3HE       MET  55   5.700  -1.400 -12.785
  404    H    PHE  56           H        PHE  56   2.713   1.566  -7.046
  405    HA   PHE  56           HA       PHE  56   2.231   0.136  -4.540
  406   1HB   PHE  56          2HB       PHE  56   2.626   3.082  -5.134
  407   2HB   PHE  56          1HB       PHE  56   2.450   2.373  -3.542
  408    HD1  PHE  56           1HD      PHE  56   4.346   2.011  -2.340
  409    HD2  PHE  56           2HD      PHE  56   4.630   2.035  -6.572
  410    HE1  PHE  56           1HE      PHE  56   6.745   1.759  -2.174
  411    HE2  PHE  56           2HE      PHE  56   7.055   1.785  -6.422
  412    HZ   PHE  56           HZ       PHE  56   8.141   1.642  -4.216
  413    H    ALA  57           H        ALA  57   0.857   2.119  -7.025
  414    HA   ALA  57           HA       ALA  57  -1.217   3.488  -5.956
  415   1HB   ALA  57          1HB       ALA  57  -2.213   3.519  -8.157
  416   2HB   ALA  57          2HB       ALA  57  -1.196   2.154  -8.642
  417   3HB   ALA  57          3HB       ALA  57  -0.464   3.701  -8.237
  418    H    GLY  58           H        GLY  58  -1.262   0.049  -6.498
  419   1HA   GLY  58          2HA       GLY  58  -3.638  -0.046  -4.901
  420   2HA   GLY  58          1HA       GLY  58  -3.906  -0.697  -6.499
  421    H    LYS  59           H        LYS  59  -1.180  -0.789  -4.290
  422    HA   LYS  59           HA       LYS  59  -1.523  -3.659  -4.087
  423   1HB   LYS  59          2HB       LYS  59  -0.162  -3.178  -6.111
  424   2HB   LYS  59          1HB       LYS  59   0.972  -2.320  -5.102
  425   1HG   LYS  59          2HG       LYS  59   1.823  -4.495  -5.654
  426   2HG   LYS  59          1HG       LYS  59   1.493  -4.396  -3.926
  427   1HD   LYS  59          2HD       LYS  59   0.859  -6.519  -5.048
  428   2HD   LYS  59          1HD       LYS  59  -0.429  -5.756  -4.126
  429   1HE   LYS  59          2HE       LYS  59  -1.427  -4.909  -6.160
  430   2HE   LYS  59          1HE       LYS  59  -0.054  -5.415  -7.131
  431   1HZ   LYS  59          1HZ       LYS  59  -2.017  -6.878  -7.324
  432   2HZ   LYS  59          2HZ       LYS  59  -1.896  -7.270  -5.682
  433   3HZ   LYS  59          3HZ       LYS  59  -0.662  -7.687  -6.757
  434    H    ASP  60           H        ASP  60  -0.571  -4.432  -2.172
  435    HA   ASP  60           HA       ASP  60   0.329  -2.431  -0.312
  436   1HB   ASP  60          2HB       ASP  60  -0.917  -4.463   0.456
  437   2HB   ASP  60          1HB       ASP  60   0.435  -5.448  -0.085
  438    H    ALA  61           H        ALA  61   2.266  -1.782  -0.190
  439    HA   ALA  61           HA       ALA  61   4.239  -3.141  -1.893
  440   1HB   ALA  61          1HB       ALA  61   5.207  -0.951  -2.262
  441   2HB   ALA  61          2HB       ALA  61   4.009  -0.238  -1.185
  442   3HB   ALA  61          3HB       ALA  61   3.500  -0.981  -2.700
  443    H    SER  62           H        SER  62   3.739  -3.573   1.070
  444    HA   SER  62           HA       SER  62   5.659  -2.244   2.549
  445   1HB   SER  62          2HB       SER  62   5.534  -4.261   4.092
  446   2HB   SER  62          1HB       SER  62   4.011  -3.446   3.738
  447    HG   SER  62           HG       SER  62   3.418  -5.055   2.441
  448    H    ARG  63           H        ARG  63   6.034  -5.431   1.001
  449    HA   ARG  63           HA       ARG  63   8.767  -5.682   1.558
  450   1HB   ARG  63          2HB       ARG  63   7.638  -7.624   0.793
  451   2HB   ARG  63          1HB       ARG  63   7.121  -6.828  -0.687
  452   1HG   ARG  63          2HG       ARG  63   9.416  -6.758  -1.471
  453   2HG   ARG  63          1HG       ARG  63   9.973  -7.495   0.024
  454   1HD   ARG  63          2HD       ARG  63   8.907  -9.545  -0.503
  455   2HD   ARG  63          1HD       ARG  63   7.994  -8.804  -1.822
  456    HE   ARG  63           HE       ARG  63  10.517  -8.354  -2.547
  457   1HH1  ARG  63          1HH1      ARG  63   8.883 -11.347  -1.605
  458   2HH1  ARG  63          2HH1      ARG  63   9.799 -12.336  -2.645
  459   1HH2  ARG  63          1HH2      ARG  63  11.677  -9.641  -3.971
  460   2HH2  ARG  63          2HH2      ARG  63  11.460 -11.350  -4.066
  461    H    ALA  64           H        ALA  64   7.125  -3.943  -0.966
  462    HA   ALA  64           HA       ALA  64   9.332  -3.815  -2.774
  463   1HB   ALA  64          1HB       ALA  64   7.037  -3.675  -3.571
  464   2HB   ALA  64          2HB       ALA  64   7.949  -2.234  -4.024
  465   3HB   ALA  64          3HB       ALA  64   6.808  -2.169  -2.679
  466    H    LEU  65           H        LEU  65   7.985  -1.898  -0.285
  467    HA   LEU  65           HA       LEU  65   9.459   0.462  -0.608
  468   1HB   LEU  65          2HB       LEU  65   8.045  -0.856   1.618
  469   2HB   LEU  65          1HB       LEU  65   8.873   0.658   1.863
  470    HG   LEU  65           HG       LEU  65   6.575   0.199  -0.080
  471   1HD1  LEU  65          1HD1      LEU  65   5.868   0.117   2.242
  472   2HD1  LEU  65          2HD1      LEU  65   5.311   1.581   1.434
  473   3HD1  LEU  65          3HD1      LEU  65   6.662   1.657   2.557
  474   1HD2  LEU  65          1HD2      LEU  65   8.142   1.931  -0.806
  475   2HD2  LEU  65          2HD2      LEU  65   8.017   2.611   0.814
  476   3HD2  LEU  65          3HD2      LEU  65   6.600   2.635  -0.239
  477    H    GLY  66           H        GLY  66  10.228  -2.478   1.165
  478   1HA   GLY  66          2HA       GLY  66  12.611  -1.182   2.180
  479   2HA   GLY  66          1HA       GLY  66  12.170  -2.843   2.510
  480    H    LYS  67           H        LYS  67  11.734  -3.248  -0.413
  481    HA   LYS  67           HA       LYS  67  14.439  -3.985  -1.117
  482   1HB   LYS  67          2HB       LYS  67  11.870  -4.121  -2.710
  483   2HB   LYS  67          1HB       LYS  67  13.365  -4.905  -3.152
  484   1HG   LYS  67          2HG       LYS  67  11.936  -5.581  -0.591
  485   2HG   LYS  67          1HG       LYS  67  11.454  -6.278  -2.117
  486   1HD   LYS  67          2HD       LYS  67  12.889  -7.790  -0.848
  487   2HD   LYS  67          1HD       LYS  67  13.634  -7.316  -2.363
  488   1HE   LYS  67          2HE       LYS  67  15.092  -5.850  -1.273
  489   2HE   LYS  67          1HE       LYS  67  14.270  -6.025   0.284
  490   1HZ   LYS  67          1HZ       LYS  67  15.800  -8.150  -1.166
  491   2HZ   LYS  67          2HZ       LYS  67  14.931  -8.368   0.276
  492   3HZ   LYS  67          3HZ       LYS  67  16.251  -7.354   0.265
  493    H    MET  68           H        MET  68  12.074  -1.582  -1.955
  494    HA   MET  68           HA       MET  68  12.081   0.368  -2.998
  495   1HB   MET  68          2HB       MET  68  15.095   0.038  -3.247
  496   2HB   MET  68          1HB       MET  68  14.201   1.507  -3.627
  497   1HG   MET  68          2HG       MET  68  13.480   1.501  -1.205
  498   2HG   MET  68          1HG       MET  68  14.595   0.181  -0.979
  499   1HE   MET  68          1HE       MET  68  15.980   4.390  -2.293
  500   2HE   MET  68          2HE       MET  68  14.297   3.970  -1.979
  501   3HE   MET  68          3HE       MET  68  15.127   3.297  -3.378
  502    H    SER  69           H        SER  69  11.582  -1.989  -4.104
  503    HA   SER  69           HA       SER  69  12.490  -1.821  -6.892
  504   1HB   SER  69          2HB       SER  69  11.583  -4.136  -5.203
  505   2HB   SER  69          1HB       SER  69  12.095  -4.248  -6.894
  506    HG   SER  69           HG       SER  69  13.864  -2.934  -5.344
  507    H    LYS  70           H        LYS  70  11.025  -1.605  -8.409
  508    HA   LYS  70           HA       LYS  70   8.220  -1.406  -7.584
  509   1HB   LYS  70          2HB       LYS  70   9.758  -0.155  -9.832
  510   2HB   LYS  70          1HB       LYS  70   8.017   0.005  -9.618
  511   1HG   LYS  70          2HG       LYS  70   8.226   1.502  -8.034
  512   2HG   LYS  70          1HG       LYS  70   9.495   0.578  -7.212
  513   1HD   LYS  70          2HD       LYS  70  11.110   1.418  -8.742
  514   2HD   LYS  70          1HD       LYS  70   9.891   2.275  -9.668
  515   1HE   LYS  70          2HE       LYS  70   9.394   3.608  -7.595
  516   2HE   LYS  70          1HE       LYS  70  10.713   2.758  -6.791
  517   1HZ   LYS  70          1HZ       LYS  70  11.514   4.831  -7.523
  518   2HZ   LYS  70          2HZ       LYS  70  10.851   4.690  -9.015
  519   3HZ   LYS  70          3HZ       LYS  70  12.192   3.710  -8.597
  520    H    ASN  71           H        ASN  71  10.359  -3.262  -9.285
  521    HA   ASN  71           HA       ASN  71   8.684  -4.360 -11.232
  522   1HB   ASN  71          2HB       ASN  71  10.145  -6.438 -11.040
  523   2HB   ASN  71          1HB       ASN  71  11.033  -4.951 -11.350
  524   1HD2  ASN  71          1HD2      ASN  71  10.503  -7.592  -9.234
  525   2HD2  ASN  71          2HD2      ASN  71  11.723  -7.169  -8.083
  526    H    GLU  72           H        GLU  72   6.882  -5.354 -11.136
  527    HA   GLU  72           HA       GLU  72   5.380  -5.520  -8.808
  528   1HB   GLU  72          2HB       GLU  72   4.779  -7.174 -11.255
  529   2HB   GLU  72          1HB       GLU  72   3.649  -6.523 -10.091
  530   1HG   GLU  72          2HG       GLU  72   3.314  -5.127 -11.873
  531   2HG   GLU  72          1HG       GLU  72   4.518  -4.219 -10.969
  532    H    GLU  73           H        GLU  73   7.380  -7.795 -10.314
  533    HA   GLU  73           HA       GLU  73   6.560 -10.247  -9.268
  534   1HB   GLU  73          2HB       GLU  73   8.202  -9.806 -11.028
  535   2HB   GLU  73          1HB       GLU  73   9.333  -9.238  -9.831
  536   1HG   GLU  73          2HG       GLU  73   9.875 -11.505 -10.463
  537   2HG   GLU  73          1HG       GLU  73   9.364 -11.418  -8.776
  538    H    ASP  74           H        ASP  74   8.429  -7.631  -7.869
  539    HA   ASP  74           HA       ASP  74   9.220  -9.195  -5.550
  540   1HB   ASP  74          2HB       ASP  74  10.788  -7.537  -6.596
  541   2HB   ASP  74          1HB       ASP  74   9.650  -6.275  -6.166
  542    H    VAL  75           H        VAL  75   7.029  -6.717  -6.526
  543    HA   VAL  75           HA       VAL  75   6.441  -5.644  -3.966
  544    HB   VAL  75           HB       VAL  75   4.563  -5.612  -6.365
  545   1HG1  VAL  75          1HG1      VAL  75   3.844  -3.464  -5.500
  546   2HG1  VAL  75          2HG1      VAL  75   4.929  -3.634  -4.127
  547   3HG1  VAL  75          3HG1      VAL  75   3.566  -4.748  -4.316
  548   1HG2  VAL  75          1HG2      VAL  75   6.760  -4.921  -7.088
  549   2HG2  VAL  75          2HG2      VAL  75   6.854  -3.776  -5.748
  550   3HG2  VAL  75          3HG2      VAL  75   5.673  -3.524  -7.037
  551    H    SER  76           H        SER  76   4.871  -6.186  -2.391
  552    HA   SER  76           HA       SER  76   3.246  -8.520  -2.666
  553   1HB   SER  76          2HB       SER  76   5.555  -9.437  -2.687
  554   2HB   SER  76          1HB       SER  76   5.869  -8.649  -1.159
  555    HG   SER  76           HG       SER  76   3.977 -10.715  -1.631
  556    HA   PRO  77           HA       PRO  77   1.585  -6.420   0.985
  557   1HB   PRO  77          2HB       PRO  77  -0.204  -8.232   1.770
  558   2HB   PRO  77          1HB       PRO  77  -0.383  -7.407   0.218
  559   1HG   PRO  77          2HG       PRO  77   0.691 -10.142   0.790
  560   2HG   PRO  77          1HG       PRO  77  -0.450  -9.629  -0.467
  561   1HD   PRO  77          2HD       PRO  77   2.218 -10.011  -0.918
  562   2HD   PRO  77          1HD       PRO  77   1.215  -8.882  -1.850
  563    H    SER  78           H        SER  78   4.069  -7.973   1.445
  564    HA   SER  78           HA       SER  78   3.948  -8.213   4.355
  565   1HB   SER  78          2HB       SER  78   3.271 -10.548   3.308
  566   2HB   SER  78          1HB       SER  78   4.926 -10.411   2.676
  567    HG   SER  78           HG       SER  78   5.232 -11.474   4.478
  568    H    LEU  79           H        LEU  79   5.996  -8.624   5.159
  569    HA   LEU  79           HA       LEU  79   7.749  -6.810   3.789
  570   1HB   LEU  79          2HB       LEU  79   8.551  -8.407   6.222
  571   2HB   LEU  79          1HB       LEU  79   9.040  -6.826   5.649
  572    HG   LEU  79           HG       LEU  79   6.574  -7.547   7.150
  573   1HD1  LEU  79          1HD1      LEU  79   8.693  -5.488   7.644
  574   2HD1  LEU  79          2HD1      LEU  79   8.479  -7.017   8.492
  575   3HD1  LEU  79          3HD1      LEU  79   7.265  -5.744   8.637
  576   1HD2  LEU  79          1HD2      LEU  79   5.715  -5.248   6.788
  577   2HD2  LEU  79          2HD2      LEU  79   5.803  -6.239   5.320
  578   3HD2  LEU  79          3HD2      LEU  79   7.016  -4.994   5.595
  579    H    GLU  80           H        GLU  80   7.764 -10.151   4.794
  580    HA   GLU  80           HA       GLU  80   8.406 -12.012   3.762
  581   1HB   GLU  80          2HB       GLU  80   7.150 -11.212   1.939
  582   2HB   GLU  80          1HB       GLU  80   8.447 -10.163   1.400
  583   1HG   GLU  80          2HG       GLU  80   8.338 -12.019  -0.044
  584   2HG   GLU  80          1HG       GLU  80   9.764 -12.065   1.040
  585    H    GLY  81           H        GLY  81  10.480  -9.960   1.788
  586   1HA   GLY  81          2HA       GLY  81  12.660 -11.665   2.689
  587   2HA   GLY  81          1HA       GLY  81  12.552 -11.025   1.051
  588    H    LEU  82           H        LEU  82  12.394  -9.785   4.319
  589    HA   LEU  82           HA       LEU  82  14.378  -7.751   3.653
  590   1HB   LEU  82          2HB       LEU  82  11.766  -7.394   5.085
  591   2HB   LEU  82          1HB       LEU  82  13.013  -6.179   4.918
  592    HG   LEU  82           HG       LEU  82  11.581  -7.386   2.556
  593   1HD1  LEU  82          1HD1      LEU  82  10.001  -6.376   3.899
  594   2HD1  LEU  82          2HD1      LEU  82  10.376  -5.252   2.562
  595   3HD1  LEU  82          3HD1      LEU  82  11.045  -4.972   4.207
  596   1HD2  LEU  82          1HD2      LEU  82  13.107  -4.843   2.898
  597   2HD2  LEU  82          2HD2      LEU  82  12.417  -5.469   1.399
  598   3HD2  LEU  82          3HD2      LEU  82  13.768  -6.312   2.183
  599    H    THR  83           H        THR  83  15.941  -7.926   5.085
  600    HA   THR  83           HA       THR  83  15.408  -8.901   7.783
  601    HB   THR  83           HB       THR  83  17.457  -9.765   6.736
  602    HG1  THR  83           1HG      THR  83  17.771  -9.543   8.862
  603   1HG2  THR  83          1HG2      THR  83  17.920  -7.988   5.153
  604   2HG2  THR  83          2HG2      THR  83  19.350  -8.226   6.177
  605   3HG2  THR  83          3HG2      THR  83  18.224  -6.897   6.494
  606    H    GLU  84           H        GLU  84  16.925  -7.308   9.451
  607    HA   GLU  84           HA       GLU  84  15.183  -5.180   9.872
  608   1HB   GLU  84          2HB       GLU  84  16.469  -5.939  11.727
  609   2HB   GLU  84          1HB       GLU  84  17.997  -5.496  10.945
  610   1HG   GLU  84          2HG       GLU  84  17.398  -3.175  11.200
  611   2HG   GLU  84          1HG       GLU  84  15.824  -3.623  11.847
  612    H    LYS  85           H        LYS  85  18.361  -4.989   8.315
  613    HA   LYS  85           HA       LYS  85  18.507  -2.186   8.090
  614   1HB   LYS  85          2HB       LYS  85  20.180  -2.546   6.369
  615   2HB   LYS  85          1HB       LYS  85  20.362  -3.828   7.561
  616   1HG   LYS  85          2HG       LYS  85  19.000  -5.285   6.157
  617   2HG   LYS  85          1HG       LYS  85  18.896  -4.017   4.979
  618   1HD   LYS  85          2HD       LYS  85  20.455  -5.593   4.270
  619   2HD   LYS  85          1HD       LYS  85  21.306  -4.083   4.623
  620   1HE   LYS  85          2HE       LYS  85  22.033  -5.012   6.797
  621   2HE   LYS  85          1HE       LYS  85  21.184  -6.515   6.428
  622   1HZ   LYS  85          1HZ       LYS  85  22.674  -6.820   4.537
  623   2HZ   LYS  85          2HZ       LYS  85  23.518  -6.741   5.982
  624   3HZ   LYS  85          3HZ       LYS  85  23.519  -5.415   4.940
  625    H    GLU  86           H        GLU  86  16.840  -4.597   6.139
  626    HA   GLU  86           HA       GLU  86  16.250  -2.912   3.953
  627   1HB   GLU  86          2HB       GLU  86  15.501  -5.641   4.822
  628   2HB   GLU  86          1HB       GLU  86  14.942  -4.973   3.318
  629   1HG   GLU  86          2HG       GLU  86  17.367  -4.687   2.668
  630   2HG   GLU  86          1HG       GLU  86  17.790  -5.504   4.168
  631    H    ILE  87           H        ILE  87  14.570  -4.423   6.645
  632    HA   ILE  87           HA       ILE  87  12.031  -3.427   6.063
  633    HB   ILE  87           HB       ILE  87  13.196  -3.948   8.806
  634   1HG1  ILE  87          2HG1      ILE  87  11.473  -5.728   7.081
  635   2HG1  ILE  87          1HG1      ILE  87  13.199  -5.959   7.344
  636   1HG2  ILE  87          1HG2      ILE  87  10.426  -3.712   7.773
  637   2HG2  ILE  87          2HG2      ILE  87  11.264  -2.523   8.785
  638   3HG2  ILE  87          3HG2      ILE  87  10.813  -4.125   9.460
  639   1HD1  ILE  87          1HD1      ILE  87  11.855  -7.436   8.785
  640   2HD1  ILE  87          2HD1      ILE  87  11.077  -5.990   9.473
  641   3HD1  ILE  87          3HD1      ILE  87  12.783  -6.263   9.730
  642    H    ASN  88           H        ASN  88  14.740  -2.128   7.885
  643    HA   ASN  88           HA       ASN  88  13.661   0.149   9.015
  644   1HB   ASN  88          2HB       ASN  88  16.343  -0.438   7.887
  645   2HB   ASN  88          1HB       ASN  88  15.949   1.156   8.524
  646   1HD2  ASN  88          1HD2      ASN  88  17.652   0.669  10.146
  647   2HD2  ASN  88          2HD2      ASN  88  17.283  -0.377  11.478
  648    H    THR  89           H        THR  89  14.663  -0.319   5.701
  649    HA   THR  89           HA       THR  89  14.432   2.343   4.896
  650    HB   THR  89           HB       THR  89  14.216  -0.274   3.422
  651    HG1  THR  89           1HG      THR  89  16.358   1.550   3.783
  652   1HG2  THR  89          1HG2      THR  89  14.652   2.508   2.409
  653   2HG2  THR  89          2HG2      THR  89  13.221   1.465   2.153
  654   3HG2  THR  89          3HG2      THR  89  14.777   1.025   1.428
  655    H    LEU  90           H        LEU  90  12.194  -0.404   4.718
  656    HA   LEU  90           HA       LEU  90   9.986   1.022   3.616
  657   1HB   LEU  90          2HB       LEU  90   9.565  -1.056   3.222
  658   2HB   LEU  90          1HB       LEU  90  10.590  -1.689   4.452
  659    HG   LEU  90           HG       LEU  90   8.552  -0.918   5.982
  660   1HD1  LEU  90          1HD1      LEU  90   6.406  -1.236   4.957
  661   2HD1  LEU  90          2HD1      LEU  90   7.198  -1.299   3.382
  662   3HD1  LEU  90          3HD1      LEU  90   7.285   0.171   4.354
  663   1HD2  LEU  90          1HD2      LEU  90   7.598  -3.115   5.825
  664   2HD2  LEU  90          2HD2      LEU  90   9.380  -3.185   5.814
  665   3HD2  LEU  90          3HD2      LEU  90   8.464  -3.389   4.312
  666    H    ASN  91           H        ASN  91  10.930   0.079   6.813
  667    HA   ASN  91           HA       ASN  91   8.791   0.833   8.386
  668   1HB   ASN  91          2HB       ASN  91  11.060  -0.331   8.891
  669   2HB   ASN  91          1HB       ASN  91  11.684   1.289   9.088
  670   1HD2  ASN  91          1HD2      ASN  91  11.465  -0.964  10.899
  671   2HD2  ASN  91          2HD2      ASN  91  10.570  -0.433  12.254
  672    H    ASP  92           H        ASP  92  11.489   2.728   7.078
  673    HA   ASP  92           HA       ASP  92  10.701   5.230   8.152
  674   1HB   ASP  92          2HB       ASP  92  13.002   4.870   7.381
  675   2HB   ASP  92          1HB       ASP  92  12.427   4.590   5.744
  676    H    TRP  93           H        TRP  93  10.144   3.618   5.050
  677    HA   TRP  93           HA       TRP  93   8.643   5.595   3.769
  678   1HB   TRP  93          2HB       TRP  93   8.764   2.648   3.572
  679   2HB   TRP  93          1HB       TRP  93   7.556   3.477   2.640
  680    HD1  TRP  93           HD       TRP  93  11.036   2.250   2.432
  681    HE1  TRP  93           1HE      TRP  93  12.250   3.184   0.377
  682    HE3  TRP  93           3HE      TRP  93   7.775   5.996   1.221
  683    HZ2  TRP  93           2HZ      TRP  93  11.885   5.261  -1.510
  684    HZ3  TRP  93           3HZ      TRP  93   8.285   7.415  -0.730
  685    HH2  TRP  93           HH       TRP  93  10.292   7.053  -2.061
  686    H    GLU  94           H        GLU  94   7.457   2.976   5.865
  687    HA   GLU  94           HA       GLU  94   4.721   3.418   5.745
  688   1HB   GLU  94          2HB       GLU  94   6.306   2.898   8.270
  689   2HB   GLU  94          1HB       GLU  94   4.589   2.631   8.067
  690   1HG   GLU  94          2HG       GLU  94   5.039   0.898   6.468
  691   2HG   GLU  94          1HG       GLU  94   6.780   1.124   6.632
  692    H    THR  95           H        THR  95   7.043   4.809   7.806
  693    HA   THR  95           HA       THR  95   5.639   6.516   9.470
  694    HB   THR  95           HB       THR  95   8.379   6.982   8.307
  695    HG1  THR  95           1HG      THR  95   8.263   4.889   9.299
  696   1HG2  THR  95          1HG2      THR  95   7.534   8.923   9.563
  697   2HG2  THR  95          2HG2      THR  95   8.844   8.143  10.446
  698   3HG2  THR  95          3HG2      THR  95   7.172   7.887  10.944
  699    H    LYS  96           H        LYS  96   6.561   7.019   6.127
  700    HA   LYS  96           HA       LYS  96   6.331   9.881   6.185
  701   1HB   LYS  96          2HB       LYS  96   6.518   7.957   3.868
  702   2HB   LYS  96          1HB       LYS  96   6.789   9.696   3.802
  703   1HG   LYS  96          2HG       LYS  96   8.375   7.807   5.477
  704   2HG   LYS  96          1HG       LYS  96   8.943   8.272   3.912
  705   1HD   LYS  96          2HD       LYS  96   8.893  10.661   4.740
  706   2HD   LYS  96          1HD       LYS  96   8.478  10.025   6.337
  707   1HE   LYS  96          2HE       LYS  96  10.562   8.701   6.308
  708   2HE   LYS  96          1HE       LYS  96  10.947   9.403   4.744
  709   1HZ   LYS  96          1HZ       LYS  96  12.122  10.540   6.512
  710   2HZ   LYS  96          2HZ       LYS  96  10.688  10.882   7.304
  711   3HZ   LYS  96          3HZ       LYS  96  11.017  11.607   5.819
  712    H    PHE  97           H        PHE  97   4.578   7.135   5.027
  713    HA   PHE  97           HA       PHE  97   2.349   8.544   4.030
  714   1HB   PHE  97          2HB       PHE  97   2.886   5.700   4.759
  715   2HB   PHE  97          1HB       PHE  97   1.320   6.209   4.179
  716    HD1  PHE  97           1HD      PHE  97   4.927   6.129   3.285
  717    HD2  PHE  97           2HD      PHE  97   0.922   6.323   1.874
  718    HE1  PHE  97           1HE      PHE  97   5.730   5.804   0.989
  719    HE2  PHE  97           2HE      PHE  97   1.727   6.004  -0.431
  720    HZ   PHE  97           HZ       PHE  97   4.126   5.742  -0.872
  721    H    GLU  98           H        GLU  98   3.094   6.840   6.965
  722    HA   GLU  98           HA       GLU  98   0.738   6.824   8.388
  723   1HB   GLU  98          2HB       GLU  98   3.606   6.886   9.074
  724   2HB   GLU  98          1HB       GLU  98   2.496   6.909  10.397
  725   1HG   GLU  98          2HG       GLU  98   2.601   4.806   8.239
  726   2HG   GLU  98          1HG       GLU  98   3.373   4.672   9.815
  727    H    ALA  99           H        ALA  99   2.674   9.606   7.688
  728    HA   ALA  99           HA       ALA  99   1.290  11.027   9.847
  729   1HB   ALA  99          1HB       ALA  99   3.881  11.753   8.528
  730   2HB   ALA  99          2HB       ALA  99   3.710  10.974  10.104
  731   3HB   ALA  99          3HB       ALA  99   3.100  12.613   9.852
  732    H    LYS 100           H        LYS 100   1.293  10.664   6.497
  733    HA   LYS 100           HA       LYS 100   0.290  13.409   6.188
  734   1HB   LYS 100          2HB       LYS 100   1.997  11.825   4.295
  735   2HB   LYS 100          1HB       LYS 100   1.001  13.140   3.729
  736   1HG   LYS 100          2HG       LYS 100   3.236  13.935   3.991
  737   2HG   LYS 100          1HG       LYS 100   2.250  14.663   5.247
  738   1HD   LYS 100          2HD       LYS 100   3.134  13.074   6.868
  739   2HD   LYS 100          1HD       LYS 100   4.083  12.290   5.601
  740   1HE   LYS 100          2HE       LYS 100   5.217  14.363   5.176
  741   2HE   LYS 100          1HE       LYS 100   4.343  15.162   6.481
  742   1HZ   LYS 100          1HZ       LYS 100   6.216  12.865   6.776
  743   2HZ   LYS 100          2HZ       LYS 100   5.393  13.596   8.055
  744   3HZ   LYS 100          3HZ       LYS 100   6.546  14.457   7.185
  745    H    TYR 101           H        TYR 101   0.107  10.151   4.868
  746    HA   TYR 101           HA       TYR 101  -2.367  10.847   3.539
  747   1HB   TYR 101          2HB       TYR 101  -0.592   8.411   3.411
  748   2HB   TYR 101          1HB       TYR 101  -2.081   8.616   2.506
  749    HD1  TYR 101           1HD      TYR 101  -2.175  10.216   0.619
  750    HD2  TYR 101           2HD      TYR 101   1.428   9.607   2.784
  751    HE1  TYR 101           1HE      TYR 101  -0.909  11.337  -1.177
  752    HE2  TYR 101           2HE      TYR 101   2.704  10.718   1.004
  753    HH   TYR 101           HH       TYR 101   1.214  12.499  -1.500
  754    HA   PRO 102           HA       PRO 102  -4.696   9.073   6.791
  755   1HB   PRO 102          2HB       PRO 102  -7.066   8.838   5.627
  756   2HB   PRO 102          1HB       PRO 102  -6.349  10.436   5.889
  757   1HG   PRO 102          2HG       PRO 102  -6.333   8.741   3.426
  758   2HG   PRO 102          1HG       PRO 102  -6.785  10.447   3.580
  759   1HD   PRO 102          2HD       PRO 102  -4.317   9.689   2.748
  760   2HD   PRO 102          1HD       PRO 102  -4.566  11.134   3.755
  761    H    VAL 103           H        VAL 103  -4.812   7.120   7.556
  762    HA   VAL 103           HA       VAL 103  -4.819   4.775   5.860
  763    HB   VAL 103           HB       VAL 103  -5.060   4.939   8.901
  764   1HG1  VAL 103          1HG1      VAL 103  -6.047   2.870   8.023
  765   2HG1  VAL 103          2HG1      VAL 103  -4.542   2.532   8.882
  766   3HG1  VAL 103          3HG1      VAL 103  -4.567   2.547   7.121
  767   1HG2  VAL 103          1HG2      VAL 103  -2.719   4.208   7.162
  768   2HG2  VAL 103          2HG2      VAL 103  -2.745   4.171   8.918
  769   3HG2  VAL 103          3HG2      VAL 103  -2.902   5.713   8.059
  770    H    VAL 104           H        VAL 104  -6.589   4.416   4.871
  771    HA   VAL 104           HA       VAL 104  -9.123   5.088   6.139
  772    HB   VAL 104           HB       VAL 104 -10.177   4.597   3.928
  773   1HG1  VAL 104          1HG1      VAL 104  -7.865   6.546   3.895
  774   2HG1  VAL 104          2HG1      VAL 104  -9.477   6.868   4.534
  775   3HG1  VAL 104          3HG1      VAL 104  -9.255   6.587   2.807
  776   1HG2  VAL 104          1HG2      VAL 104  -8.743   4.299   1.987
  777   2HG2  VAL 104          2HG2      VAL 104  -8.495   2.974   3.132
  778   3HG2  VAL 104          3HG2      VAL 104  -7.325   4.295   3.026
  779    H    GLY 105           H        GLY 105  -7.233   2.366   5.882
  780   1HA   GLY 105          2HA       GLY 105  -8.897   0.760   7.336
  781   2HA   GLY 105          1HA       GLY 105  -9.290   0.423   5.653
  782    H    ARG 106           H        ARG 106  -8.502  -1.665   5.704
  783    HA   ARG 106           HA       ARG 106  -5.569  -1.814   5.814
  784   1HB   ARG 106          2HB       ARG 106  -5.487  -3.643   7.329
  785   2HB   ARG 106          1HB       ARG 106  -7.011  -2.911   7.811
  786   1HG   ARG 106          2HG       ARG 106  -7.029  -4.974   5.754
  787   2HG   ARG 106          1HG       ARG 106  -7.046  -5.477   7.410
  788   1HD   ARG 106          2HD       ARG 106  -8.875  -3.648   6.040
  789   2HD   ARG 106          1HD       ARG 106  -9.078  -5.379   6.440
  790    HE   ARG 106           HE       ARG 106  -8.613  -3.301   8.536
  791   1HH1  ARG 106          1HH1      ARG 106 -10.849  -5.932   7.509
  792   2HH1  ARG 106          2HH1      ARG 106 -11.824  -5.684   8.859
  793   1HH2  ARG 106          1HH2      ARG 106  -9.984  -3.102  10.332
  794   2HH2  ARG 106          2HH2      ARG 106 -11.357  -4.092  10.492
  795    H    VAL 107           H        VAL 107  -4.770  -3.624   4.671
  796    HA   VAL 107           HA       VAL 107  -6.693  -4.654   2.770
  797    HB   VAL 107           HB       VAL 107  -4.651  -3.596   1.776
  798   1HG1  VAL 107          1HG1      VAL 107  -3.188  -4.044   3.449
  799   2HG1  VAL 107          2HG1      VAL 107  -2.537  -4.880   1.985
  800   3HG1  VAL 107          3HG1      VAL 107  -3.406  -5.774   3.284
  801   1HG2  VAL 107          1HG2      VAL 107  -4.913  -6.534   1.446
  802   2HG2  VAL 107          2HG2      VAL 107  -4.193  -5.438   0.227
  803   3HG2  VAL 107          3HG2      VAL 107  -5.927  -5.333   0.678
  804    H    VAL 108           H        VAL 108  -7.026  -6.739   2.687
  805    HA   VAL 108           HA       VAL 108  -5.802  -8.405   4.730
  806    HB   VAL 108           HB       VAL 108  -8.043  -9.631   4.794
  807   1HG1  VAL 108          1HG1      VAL 108  -7.336  -7.823   6.370
  808   2HG1  VAL 108          2HG1      VAL 108  -9.122  -7.798   6.036
  809   3HG1  VAL 108          3HG1      VAL 108  -8.036  -6.711   5.183
  810   1HG2  VAL 108          1HG2      VAL 108  -8.856  -8.765   2.596
  811   2HG2  VAL 108          2HG2      VAL 108  -8.853  -7.165   3.426
  812   3HG2  VAL 108          3HG2      VAL 108  -9.939  -8.411   3.982
  813    H    SER 109           H        SER 109  -5.381 -10.529   4.190
  814    HA   SER 109           HA       SER 109  -5.597 -11.219   1.418
  815   1HB   SER 109          2HB       SER 109  -3.590  -9.866   1.548
  816   2HB   SER 109          1HB       SER 109  -3.008 -10.812   2.911
  817    HG   SER 109           HG       SER 109  -2.433 -12.398   1.549